| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.3 | Very low | 44.4 | Very low | 217 Ų | 217 | 141.5 Ų | 141.5 | 100% | 1.069 | 73% | 0.733 | S | S | * | * | 0 | -55.4 | 0 | -148.4 | 172.6 | -167.1 | 0 | 0 | 112.7 | L3 F4 | M1-L3 VanDerWaalsContact C-N 3.26Å; M1-L3 PolarHBondContact O-N 3.49Å; M1-L3 VanDerWaalsContact O-N 3.15Å; M1-F4 WeakPolarHBondContact O-CB 3.3Å; M1-F4 PolarHBondContact O-N 3.27Å | |||
| 2 | S | 35.5 | Very low | 46.6 | Very low | 100 Ų | 100 | 137.9 Ų | 137.9 | 70% | 0.699 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | -26.7 | -179.6 | 46.7 | 0 | 0 | 0 | 0 | 116.4 | S5 | S2-S5 PolarHBondContact O-OG 3.34Š|
| 3 | L | 37.4 | Very low | 48.4 | Very low | 153 Ų | 153 | 135.2 Ų | 135.2 | 80% | 0.801 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -23.4 | 173.7 | -84.3 | 159.6 | 0 | 0 | 0 | 113.8 | M1 | M1-L3 VanDerWaalsContact C-N 3.26Å; M1-L3 PolarHBondContact O-N 3.49Å; M1-L3 VanDerWaalsContact O-N 3.15Å |
| 4 | F | 39.9 | Very low | 50.2 | Low | 178 Ų | 178 | 130.2 Ų | 130.2 | 78% | 0.781 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -21.7 | -179.9 | -112.9 | -94.3 | 0 | 0 | 0 | 112.9 | M1 R6 | M1-F4 WeakPolarHBondContact O-CB 3.3Å; M1-F4 PolarHBondContact O-N 3.27Å; F4-R6 VanDerWaalsContact C-N 3.29Å; F4-R6 PolarHBondContact O-N 3.4Å |
| 5 | S | 43.9 | Very low | 52.1 | Low | 96 Ų | 96 | 127.5 Ų | 127.5 | 67% | 0.671 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | 29.7 | -174.5 | 67.3 | 0 | 0 | 0 | 0 | 114.1 | S2 | S2-S5 PolarHBondContact O-OG 3.34Š|
| 6 | R | 43.2 | Very low | 53.9 | Low | 219 Ų | 219 | 130.1 Ų | 130.1 | 83% | 0.826 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130 | -3.1 | 179.9 | -83.4 | -169.8 | 172 | -172.2 | -2.5 | 115.2 | F4 | F4-R6 VanDerWaalsContact C-N 3.29Å; F4-R6 PolarHBondContact O-N 3.4Å |
| 7 | F | 47 | Very low | 55.5 | Low | 180 Ų | 180 | 129.6 Ų | 129.6 | 79% | 0.789 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -128.4 | 4.8 | -164.3 | -91.4 | -74.6 | 0 | 0 | 0 | 117 | ||
| 8 | L | 40.8 | Very low | 57.2 | Low | 128 Ų | 128 | 125.3 Ų | 125.3 | 67% | 0.67 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -137.5 | 150.1 | 173.6 | -80.9 | 99.2 | 0 | 0 | 0 | 112.6 | S10 | L8-S10 PolarHBondContact O-N 2.99Š|
| 9 | P | 47.5 | Very low | 58.8 | Low | 116 Ų | 116 | 125.2 Ų | 125.2 | 75% | 0.753 | 63% | 0.631 | S | S | * | * | trans | -77.4 | 53.8 | 174.3 | 35.5 | -37.6 | 0 | 0 | 0 | 111.4 | D11 | P9-D11 PolarHBondContact O-N 3.36Š| ||
| 10 | S | 54.4 | Low | 60.3 | Low | 58 Ų | 58 | 126.4 Ų | 126.4 | 41% | 0.406 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -68.8 | -29.7 | -168.7 | 48.3 | 0 | 0 | 0 | 0 | 114.8 | L8 V12 L13 L14 | L8-S10 PolarHBondContact O-N 2.99Å; S10-V12 PolarHBondContact O-N 3.47Å; S10-L13 WeakPolarHBondContact O-CB 3.22Å; S10-L13 PolarHBondContact O-N 3.06Å; S10-L13 VanDerWaalsContact O-N 3.14Å; S10-L14 WeakPolarHBondContact O-CB 3.41Å; S10-L14 PolarHBondContact O-N 3Å |
| 11 | D | 61.7 | Low | 61.7 | Low | 112 Ų | 112 | 122 Ų | 122 | 60% | 0.599 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.1 | -37.8 | -161 | -58.9 | -12.1 | 0 | 0 | 0 | 112.4 | P9 L13 L14 E15 | P9-D11 PolarHBondContact O-N 3.36Å; D11-L13 VanDerWaalsContact C-N 3.32Å; D11-L13 PolarHBondContact O-N 3.02Å; D11-L14 WeakPolarHBondContact O-CB 3.31Å; D11-L14 PolarHBondContact O-N 3.07Å; D11-E15 PolarHBondContact O-N 3.21Å |
| 12 | V | 70.2 | Confident | 64.2 | Low | 98 Ų | 98 | 113.2 Ų | 113.2 | 59% | 0.594 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.8 | -35.1 | 175.8 | -178.2 | 0 | 0 | 0 | 0 | 111.6 | S10 R16 | S10-V12 PolarHBondContact O-N 3.47Å; V12-R16 WeakPolarHBondContact O-CB 3.39Å; V12-R16 VanDerWaalsContact O-CG 3.26Å; V12-R16 WeakPolarHBondContact O-CG 3.22Å; V12-R16 PolarHBondContact O-N 3.4Å |
| 13 | L | 70.8 | Confident | 66.8 | Low | 102 Ų | 102 | 117.2 Ų | 117.2 | 53% | 0.534 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -70.9 | -41.8 | 172.8 | -69.4 | 174 | 0 | 0 | 0 | 110.6 | S10 D11 E15 R16 F17 | S10-L13 WeakPolarHBondContact O-CB 3.22Å; S10-L13 PolarHBondContact O-N 3.06Å; S10-L13 VanDerWaalsContact O-N 3.14Å; D11-L13 VanDerWaalsContact C-N 3.32Å; D11-L13 PolarHBondContact O-N 3.02Å; L13-E15 PolarHBondContact O-N 3.08Å; L13-R16 PolarHBondContact O-N 2.99Å; L13-F17 VanDerWaalsContact O-CD2 3.31Å; L13-F17 WeakPolarHBondContact O-CD2 3.49Å; L13-F17 PolarHBondContact O-N 3.28Å |
| 14 | L | 72.6 | Confident | 69.4 | Low | 66 Ų | 66 | 114.6 Ų | 114.6 | 35% | 0.346 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.6 | -45.4 | 179.6 | -161 | 73.7 | 0 | 0 | 0 | 111.9 | S10 D11 F17 K18 W417 | S10-L14 WeakPolarHBondContact O-CB 3.41Å; S10-L14 PolarHBondContact O-N 3Å; D11-L14 WeakPolarHBondContact O-CB 3.31Å; D11-L14 PolarHBondContact O-N 3.07Å; L14-F17 PolarHBondContact O-N 3.39Å; L14-K18 WeakPolarHBondContact O-CG 3.32Å; L14-K18 PolarHBondContact O-N 3.38Å; L14-W417 HydrophobicContact CD1-CH2 3.51Å; L14-W417 HydrophobicContact CD1-CZ2 3.72Å; L14-W417 HydrophobicContact CD2-CZ2 4.47Å; L14-W417 HydrophobicContact CG-CH2 4.21Å; L14-W417 HydrophobicContact CG-CZ2 4.12Å |
| 15 | E | 79.5 | Confident | 71.9 | Confident | 90 Ų | 90 | 107 Ų | 107 | 42% | 0.421 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.6 | -39 | 174.5 | -63.6 | -46.9 | 136.7 | 0 | 0 | 112.5 | D11 L13 F17 K18 L19 | D11-E15 PolarHBondContact O-N 3.21Å; L13-E15 PolarHBondContact O-N 3.08Å; E15-F17 VanDerWaalsContact C-N 3.32Å; E15-F17 PolarHBondContact O-N 3.38Å; E15-K18 PolarHBondContact O-N 3.33Å; E15-K18 IonicContact OE1-NZ 2.61Å; E15-K18 PolarHBondContact OE1-NZ 3.05Å; E15-K18 WeakPolarHBondContact OE2-CD 3.49Å; E15-K18 IonicContact OE2-NZ 3.44Å; E15-K18 PolarHBondContact OE2-NZ 3.23Å; E15-L19 WeakPolarHBondContact O-CB 3.39Å; E15-L19 WeakPolarHBondContact O-CG 3.3Å; E15-L19 PolarHBondContact O-N 3.07Å |
| 16 | R | 80.4 | Confident | 74.3 | Confident | 168 Ų | 168 | 106.1 Ų | 106.1 | 63% | 0.634 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.1 | -36.9 | 173.5 | -75.6 | 175.9 | 176.1 | -159 | -0.6 | 112.4 | V12 L13 K20 | V12-R16 WeakPolarHBondContact O-CB 3.39Å; V12-R16 VanDerWaalsContact O-CG 3.26Å; V12-R16 WeakPolarHBondContact O-CG 3.22Å; V12-R16 PolarHBondContact O-N 3.4Å; L13-R16 PolarHBondContact O-N 2.99Å; R16-K20 WeakPolarHBondContact O-CG 3.47Å; R16-K20 PolarHBondContact O-N 3.38Å |
| 17 | F | 81.6 | Confident | 76.6 | Confident | 122 Ų | 122 | 100.3 Ų | 100.3 | 54% | 0.535 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.5 | -45.7 | 174.1 | -88.7 | -73.9 | 0 | 0 | 0 | 112.1 | L13 L14 E15 L19 K20 I21 | L13-F17 VanDerWaalsContact O-CD2 3.31Å; L13-F17 WeakPolarHBondContact O-CD2 3.49Å; L13-F17 PolarHBondContact O-N 3.28Å; L14-F17 PolarHBondContact O-N 3.39Å; E15-F17 VanDerWaalsContact C-N 3.32Å; E15-F17 PolarHBondContact O-N 3.38Å; F17-L19 PolarHBondContact O-N 3.11Å; F17-K20 PolarHBondContact O-N 3.2Å; F17-I21 VanDerWaalsContact O-CG1 3.32Å; F17-I21 WeakPolarHBondContact O-CG1 3.35Å; F17-I21 PolarHBondContact O-N 3.47Å |
| 18 | K | 85.9 | Confident | 78.8 | Confident | 53 Ų | 53 | 93.6 Ų | 93.6 | 23% | 0.23 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -52.2 | -51 | 173.4 | -77.5 | 164.9 | 171.3 | -176.9 | 0 | 112.1 | L14 E15 K20 I21 S22 W417 | L14-K18 WeakPolarHBondContact O-CG 3.32Å; L14-K18 PolarHBondContact O-N 3.38Å; E15-K18 PolarHBondContact O-N 3.33Å; E15-K18 IonicContact OE1-NZ 2.61Å; E15-K18 PolarHBondContact OE1-NZ 3.05Å; E15-K18 WeakPolarHBondContact OE2-CD 3.49Å; E15-K18 IonicContact OE2-NZ 3.44Å; E15-K18 PolarHBondContact OE2-NZ 3.23Å; K18-K20 PolarHBondContact O-N 3.03Å; K18-I21 PolarHBondContact O-N 3.1Å; K18-S22 VanDerWaalsContact O-CB 3.3Å; K18-S22 WeakPolarHBondContact O-CB 3.41Å; K18-S22 PolarHBondContact O-N 3.02Å; K18-W417 HydrophobicContact CB-CE3 4.48Å; K18-W417 HydrophobicContact CD-CD2 4.37Å; K18-W417 HydrophobicContact CD-CG 4.48Å; K18-W417 HydrophobicContact CG-CB 4.28Å; K18-W417 HydrophobicContact CG-CD2 3.44Å; K18-W417 VanDerWaalsContact CG-CD2 3.44Å; K18-W417 HydrophobicContact CG-CE3 3.61Å; K18-W417 HydrophobicContact CG-CG 3.73Å; K18-W417 HydrophobicContact CG-CZ2 4.43Å; K18-W417 HydrophobicContact CG-CZ3 4.18Å |
| 19 | L | 87.3 | Confident | 81.2 | Confident | 122 Ų | 122 | 87.5 Ų | 87.5 | 64% | 0.639 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -64.4 | -37.6 | -179.1 | -72.1 | 167.9 | 0 | 0 | 0 | 112.6 | E15 F17 R23 | E15-L19 WeakPolarHBondContact O-CB 3.39Å; E15-L19 WeakPolarHBondContact O-CG 3.3Å; E15-L19 PolarHBondContact O-N 3.07Å; F17-L19 PolarHBondContact O-N 3.11Å; L19-R23 WeakPolarHBondContact O-CB 3.45Å; L19-R23 PolarHBondContact O-N 3.02Å |
| 20 | K | 88.9 | Confident | 83.3 | Confident | 149 Ų | 149 | 84.4 Ų | 84.4 | 65% | 0.648 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -64 | -48.8 | 172.9 | -78.3 | -179.1 | 175 | -171.8 | 0 | 111.8 | R16 F17 K18 R23 V24 | R16-K20 WeakPolarHBondContact O-CG 3.47Å; R16-K20 PolarHBondContact O-N 3.38Å; F17-K20 PolarHBondContact O-N 3.2Å; K18-K20 PolarHBondContact O-N 3.03Å; K20-R23 PolarHBondContact O-N 3.04Å; K20-V24 WeakPolarHBondContact O-CG2 3.25Å; K20-V24 PolarHBondContact O-N 3.16Å |
| 21 | I | 89.3 | Confident | 85.1 | Confident | 34 Ų | 34 | 87.2 Ų | 87.2 | 17% | 0.174 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.3 | -46.9 | 179.4 | -69 | 162.9 | 0 | 0 | 0 | 110.4 | F17 K18 R23 V24 Y25 W417 T420 | F17-I21 VanDerWaalsContact O-CG1 3.32Å; F17-I21 WeakPolarHBondContact O-CG1 3.35Å; F17-I21 PolarHBondContact O-N 3.47Å; K18-I21 PolarHBondContact O-N 3.1Å; I21-R23 VanDerWaalsContact C-N 3.34Å; I21-R23 PolarHBondContact O-N 3.29Å; I21-V24 PolarHBondContact O-N 3.37Å; I21-Y25 HydrophobicContact CG2-CD2 4.01Å; I21-Y25 HydrophobicContact CG2-CE2 3.99Å; I21-Y25 WeakPolarHBondContact O-CD2 3.32Å; I21-Y25 PolarHBondContact O-N 2.92Å; I21-W417 HydrophobicContact CD1-CE3 3.9Å; I21-W417 HydrophobicContact CD1-CZ3 3.93Å; I21-T420 HydrophobicContact CD1-CG2 4.29Å |
| 22 | S | 89.7 | Confident | 86.5 | Confident | 34 Ų | 34 | 81.9 Ų | 81.9 | 24% | 0.238 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.2 | -40.2 | 177.5 | -172.9 | 0 | 0 | 0 | 0 | 112.5 | K18 Y25 Y26 S413 S416 | K18-S22 VanDerWaalsContact O-CB 3.3Å; K18-S22 WeakPolarHBondContact O-CB 3.41Å; K18-S22 PolarHBondContact O-N 3.02Å; S22-Y25 PolarHBondContact O-N 3.31Å; S22-Y26 WeakPolarHBondContact O-CB 3.47Å; S22-Y26 PolarHBondContact O-N 3.37Å; S22-S413 PolarHBondContact OG-O 3.45Å; S22-S416 VanDerWaalsContact CA-OG 3.31Å; S22-S416 WeakPolarHBondContact CA-OG 3.2Å |
| 23 | R | 91.4 | Very high | 87.4 | Confident | 184 Ų | 184 | 77.4 Ų | 77.4 | 69% | 0.694 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -66.5 | -39.4 | 174.3 | -176.9 | 173.8 | -69.9 | -177 | -2.7 | 113.2 | L19 K20 I21 Y26 N27 | L19-R23 WeakPolarHBondContact O-CB 3.45Å; L19-R23 PolarHBondContact O-N 3.02Å; K20-R23 PolarHBondContact O-N 3.04Å; I21-R23 VanDerWaalsContact C-N 3.34Å; I21-R23 PolarHBondContact O-N 3.29Å; R23-Y26 PolarHBondContact O-N 3.45Å; R23-N27 PolarHBondContact O-N 3.05Å; R23-N27 PolarHBondContact O-OD1 2.98Å |
| 24 | V | 91.5 | Very high | 88.3 | Confident | 97 Ų | 97 | 74 Ų | 74 | 59% | 0.588 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -62.9 | -46.8 | 174.4 | 170.6 | 0 | 0 | 0 | 0 | 110.3 | K20 I21 Y26 N27 H28 | K20-V24 WeakPolarHBondContact O-CG2 3.25Å; K20-V24 PolarHBondContact O-N 3.16Å; I21-V24 PolarHBondContact O-N 3.37Å; V24-Y26 PolarHBondContact O-N 2.71Å; V24-N27 PolarHBondContact O-N 3.21Å; V24-H28 VanDerWaalsContact O-CB 3.3Å; V24-H28 WeakPolarHBondContact O-CB 3.2Å; V24-H28 PolarHBondContact O-N 3.49Å |
| 25 | Y | 92.6 | Very high | 89.1 | Confident | 20 Ų | 20 | 75.7 Ų | 75.7 | 8% | 0.078 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 178.1 | -89.5 | -121.1 | 0 | 0 | 0 | 112.6 | I21 S22 H28 G29 L412 T420 L460 | I21-Y25 HydrophobicContact CG2-CD2 4.01Å; I21-Y25 HydrophobicContact CG2-CE2 3.99Å; I21-Y25 WeakPolarHBondContact O-CD2 3.32Å; I21-Y25 PolarHBondContact O-N 2.92Å; S22-Y25 PolarHBondContact O-N 3.31Å; Y25-H28 PolarHBondContact O-N 3.23Å; Y25-G29 PolarHBondContact O-N 3.37Å; Y25-L412 HydrophobicContact CD1-CD1 3.58Å; Y25-L412 HydrophobicContact CD1-CG 3.73Å; Y25-L412 HydrophobicContact CE1-CD1 4.06Å; Y25-L412 HydrophobicContact CG-CG 4.38Å; Y25-L412 WeakPolarHBondContact O-CD2 3.38Å; Y25-T420 PolarHBondContact OH-OG1 3.41Å; Y25-L460 HydrophobicContact CE1-CD2 3.81Å |
| 26 | Y | 93.7 | Very high | 89.6 | Confident | 77 Ų | 77 | 72.4 Ų | 72.4 | 30% | 0.302 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.5 | -50.3 | 174.2 | -177.8 | -90.3 | 0 | 0 | 0 | 111.8 | S22 R23 V24 H28 G29 L30 A409 | S22-Y26 WeakPolarHBondContact O-CB 3.47Å; S22-Y26 PolarHBondContact O-N 3.37Å; R23-Y26 PolarHBondContact O-N 3.45Å; V24-Y26 PolarHBondContact O-N 2.71Å; Y26-H28 VanDerWaalsContact C-N 3.3Å; Y26-H28 PolarHBondContact O-N 2.72Å; Y26-G29 PolarHBondContact O-N 2.96Å; Y26-L30 WeakPolarHBondContact O-CB 3.09Å; Y26-L30 PolarHBondContact O-N 3.25Å; Y26-A409 HydrophobicContact CD2-CB 3.68Å; Y26-A409 HydrophobicContact CE2-CB 3.76Å; Y26-A409 HydrophobicContact CG-CB 4.1Å; Y26-A409 WeakPolarHBondContact O-CB 3.5Å |
| 27 | N | 92.7 | Very high | 89.9 | Confident | 96 Ų | 96 | 67.5 Ų | 67.5 | 51% | 0.513 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 177.4 | -71.7 | 4.3 | 0 | 0 | 0 | 111.8 | R23 V24 L30 F31 | R23-N27 PolarHBondContact O-N 3.05Å; R23-N27 PolarHBondContact O-OD1 2.98Å; V24-N27 PolarHBondContact O-N 3.21Å; N27-L30 PolarHBondContact O-N 3.5Å; N27-F31 WeakPolarHBondContact O-CB 3.49Å; N27-F31 PolarHBondContact O-N 3Å |
| 28 | H | 91.9 | Very high | 90.4 | Very high | 40 Ų | 40 | 65 Ų | 65 | 19% | 0.185 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64 | -46.9 | 177.1 | -174.6 | -104.2 | 0 | 0 | 0 | 112.2 | V24 Y25 Y26 L30 F31 I32 F461 | V24-H28 VanDerWaalsContact O-CB 3.3Å; V24-H28 WeakPolarHBondContact O-CB 3.2Å; V24-H28 PolarHBondContact O-N 3.49Å; Y25-H28 PolarHBondContact O-N 3.23Å; Y26-H28 VanDerWaalsContact C-N 3.3Å; Y26-H28 PolarHBondContact O-N 2.72Å; H28-L30 VanDerWaalsContact C-N 3.33Å; H28-L30 PolarHBondContact O-N 3.44Å; H28-F31 PolarHBondContact O-N 2.98Å; H28-I32 WeakPolarHBondContact CE1-CD1 3.29Å; H28-I32 WeakPolarHBondContact O-CB 3.42Å; H28-I32 PolarHBondContact O-N 3.31Å; H28-F461 AromaticContact NE2-CD1 3.97Å; H28-F461 AromaticContact NE2-CE1 3.46Å; H28-F461 WeakPolarHBondContact NE2-CE1 3.2Å; H28-F461 AromaticContact NE2-CE2 3.94Å; H28-F461 AromaticContact NE2-CZ 3.45Å; H28-F461 WeakPolarHBondContact NE2-CZ 3.23Å |
| 29 | G | 91.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.9 | -38 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | Y25 Y26 S33 | Y25-G29 PolarHBondContact O-N 3.37Å; Y26-G29 PolarHBondContact O-N 2.96Å; G29-S33 VanDerWaalsContact O-CB 3.22Å; G29-S33 WeakPolarHBondContact O-CB 3.47Å; G29-S33 PolarHBondContact O-N 2.85Å |
| 30 | L | 91.9 | Very high | 90.8 | Very high | 51 Ų | 51 | 59.3 Ų | 59.3 | 27% | 0.267 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.3 | -39.6 | 175.9 | -178.4 | 61.5 | 0 | 0 | 0 | 112.5 | Y26 N27 H28 S34 K405 Y406 A409 | Y26-L30 WeakPolarHBondContact O-CB 3.09Å; Y26-L30 PolarHBondContact O-N 3.25Å; N27-L30 PolarHBondContact O-N 3.5Å; H28-L30 VanDerWaalsContact C-N 3.33Å; H28-L30 PolarHBondContact O-N 3.44Å; L30-S34 VanDerWaalsContact O-CB 3.27Å; L30-S34 WeakPolarHBondContact O-CB 3.38Å; L30-S34 PolarHBondContact O-N 3.33Å; L30-S34 VanDerWaalsContact O-N 3.15Å; L30-S34 PolarHBondContact O-OG 3.46Å; L30-K405 HydrophobicContact CD1-CB 4.1Å; L30-Y406 HydrophobicContact CD1-CE1 4.31Å; L30-A409 HydrophobicContact CB-CB 4.23Å |
| 31 | F | 91.7 | Very high | 90.9 | Very high | 116 Ų | 116 | 56 Ų | 56 | 51% | 0.509 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.2 | -54.3 | 174.2 | 173.9 | -102.3 | 0 | 0 | 0 | 111.2 | N27 H28 S33 S34 H35 V39 | N27-F31 WeakPolarHBondContact O-CB 3.49Å; N27-F31 PolarHBondContact O-N 3Å; H28-F31 PolarHBondContact O-N 2.98Å; F31-S33 PolarHBondContact O-N 3.06Å; F31-S34 WeakPolarHBondContact O-CB 3.2Å; F31-S34 PolarHBondContact O-N 3.05Å; F31-S34 VanDerWaalsContact O-N 3.09Å; F31-H35 PolarHBondContact O-N 3.4Å; F31-V39 HydrophobicContact CE1-CG2 4.04Å |
| 32 | I | 91.5 | Very high | 91 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.9 | -47.7 | 179.9 | -77.8 | -173.4 | 0 | 0 | 0 | 111.9 | H28 S34 H35 P36 V39 L460 F461 V464 T465 | H28-I32 WeakPolarHBondContact CE1-CD1 3.29Å; H28-I32 WeakPolarHBondContact O-CB 3.42Å; H28-I32 PolarHBondContact O-N 3.31Å; I32-S34 PolarHBondContact O-N 3.44Å; I32-H35 CarbonylContact O-C 3.58Å; I32-H35 PolarHBondContact O-N 3.24Å; I32-P36 WeakPolarHBondContact O-CA 3.35Å; I32-P36 WeakPolarHBondContact O-CD 3.35Å; I32-V39 HydrophobicContact CD1-CG1 4.43Å; I32-V39 HydrophobicContact CG1-CG1 4.27Å; I32-V39 HydrophobicContact CG1-CG2 4.38Å; I32-L460 VanDerWaalsContact CD1-O 3.24Å; I32-L460 WeakPolarHBondContact CD1-O 3.27Å; I32-F461 HydrophobicContact CD1-CD1 4.44Å; I32-V464 HydrophobicContact CG2-CG1 4.15Å; I32-T465 HydrophobicContact CG2-CG2 3.93Å; I32-T465 WeakPolarHBondContact CG2-OG1 3.43Å |
| 33 | S | 89.4 | Confident | 91.2 | Very high | 4 Ų | 4 | 57.1 Ų | 57.1 | 3% | 0.028 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70.6 | -19.2 | -179.8 | -165.5 | 0 | 0 | 0 | 0 | 113 | G29 F31 K405 S468 | G29-S33 VanDerWaalsContact O-CB 3.22Å; G29-S33 WeakPolarHBondContact O-CB 3.47Å; G29-S33 PolarHBondContact O-N 2.85Å; F31-S33 PolarHBondContact O-N 3.06Å; S33-K405 WeakPolarHBondContact OG-CA 3.44Å; S33-S468 WeakPolarHBondContact CB-OG 3.07Å; S33-S468 PolarHBondContact OG-OG 3.41Å |
| 34 | S | 89.1 | Confident | 91.1 | Very high | 31 Ų | 31 | 50.4 Ų | 50.4 | 22% | 0.217 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -80.6 | -34.8 | 172 | -65.6 | 0 | 0 | 0 | 0 | 113.5 | L30 F31 I32 P36 K405 | L30-S34 VanDerWaalsContact O-CB 3.27Å; L30-S34 WeakPolarHBondContact O-CB 3.38Å; L30-S34 PolarHBondContact O-N 3.33Å; L30-S34 VanDerWaalsContact O-N 3.15Å; L30-S34 PolarHBondContact O-OG 3.46Å; F31-S34 WeakPolarHBondContact O-CB 3.2Å; F31-S34 PolarHBondContact O-N 3.05Å; F31-S34 VanDerWaalsContact O-N 3.09Å; I32-S34 PolarHBondContact O-N 3.44Å; S34-P36 VanDerWaalsContact C-CD 3.47Å; S34-K405 WeakPolarHBondContact OG-CE 3.29Å; S34-K405 PolarHBondContact OG-NZ 3.22Å |
| 35 | H | 90 | Very high | 91.1 | Very high | 102 Ų | 102 | 51.2 Ų | 51.2 | 47% | 0.472 | 28% | 0.281 | S | S | . | . | trans | -130.3 | 56.2 | -174 | -56.4 | -74.7 | 0 | 0 | 0 | 113.1 | F31 I32 A37 P38 V39 | F31-H35 PolarHBondContact O-N 3.4Å; I32-H35 CarbonylContact O-C 3.58Å; I32-H35 PolarHBondContact O-N 3.24Å; H35-A37 PolarHBondContact O-N 3.4Å; H35-P38 HydrophobicContact CB-CG 3.86Å; H35-P38 VanDerWaalsContact O-CD 3.27Å; H35-P38 WeakPolarHBondContact O-CD 3.39Å; H35-P38 WeakPolarHBondContact O-CG 3.37Å; H35-V39 WeakPolarHBondContact O-CG2 3.4Å; H35-V39 PolarHBondContact O-N 3.34Å | ||
| 36 | P | 89.6 | Confident | 91 | Very high | 20 Ų | 20 | 53.2 Ų | 53.2 | 13% | 0.13 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.6 | -32.7 | -171.8 | 26.2 | -35.2 | 0 | 0 | 0 | 114 | I32 S34 I40 T465 V469 | I32-P36 WeakPolarHBondContact O-CA 3.35Å; I32-P36 WeakPolarHBondContact O-CD 3.35Å; S34-P36 VanDerWaalsContact C-CD 3.47Å; P36-I40 WeakPolarHBondContact O-CB 3.44Å; P36-I40 WeakPolarHBondContact O-CG1 3.49Å; P36-I40 PolarHBondContact O-N 3.23Å; P36-T465 HydrophobicContact CB-CG2 3.61Å; P36-T465 WeakPolarHBondContact O-CG2 3.12Å; P36-V469 HydrophobicContact CB-CG2 3.71Å; P36-V469 HydrophobicContact CG-CG2 4.15Å |
| 37 | A | 88.2 | Confident | 90.8 | Very high | 66 Ų | 66 | 50.6 Ų | 50.6 | 55% | 0.545 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.5 | -57.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | H35 V39 I40 T41 | H35-A37 PolarHBondContact O-N 3.4Å; A37-V39 VanDerWaalsContact C-N 3.28Å; A37-V39 PolarHBondContact O-N 3.27Å; A37-I40 PolarHBondContact O-N 3.18Å; A37-T41 PolarHBondContact O-N 2.85Å; A37-T41 PolarHBondContact O-OG1 3.4Å |
| 38 | P | 91.3 | Very high | 90.6 | Very high | 70 Ų | 70 | 52 Ų | 52 | 46% | 0.455 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.5 | -26.8 | 179.1 | 26.1 | -35.8 | 0 | 0 | 0 | 113.5 | H35 T41 T42 | H35-P38 HydrophobicContact CB-CG 3.86Å; H35-P38 VanDerWaalsContact O-CD 3.27Å; H35-P38 WeakPolarHBondContact O-CD 3.39Å; H35-P38 WeakPolarHBondContact O-CG 3.37Å; P38-T41 WeakPolarHBondContact CA-OG1 3.23Å; P38-T41 PolarHBondContact O-OG1 2.94Å; P38-T42 WeakPolarHBondContact O-CB 3.46Å; P38-T42 WeakPolarHBondContact O-CG2 3.07Å; P38-T42 PolarHBondContact O-N 2.92Å; P38-T42 PolarHBondContact O-OG1 2.9Å |
| 39 | V | 91.7 | Very high | 90.5 | Very high | 8 Ų | 8 | 57.2 Ų | 57.2 | 5% | 0.048 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.2 | -45.9 | 172.3 | 174.5 | 0 | 0 | 0 | 0 | 110.6 | F31 I32 H35 A37 T41 T42 V43 F461 T465 | F31-V39 HydrophobicContact CE1-CG2 4.04Å; I32-V39 HydrophobicContact CD1-CG1 4.43Å; I32-V39 HydrophobicContact CG1-CG1 4.27Å; I32-V39 HydrophobicContact CG1-CG2 4.38Å; H35-V39 WeakPolarHBondContact O-CG2 3.4Å; H35-V39 PolarHBondContact O-N 3.34Å; A37-V39 VanDerWaalsContact C-N 3.28Å; A37-V39 PolarHBondContact O-N 3.27Å; V39-T41 PolarHBondContact O-N 3.44Å; V39-T42 PolarHBondContact O-OG1 3.09Å; V39-T42 VanDerWaalsContact O-OG1 3.13Å; V39-V43 HydrophobicContact CG1-CG2 4.37Å; V39-V43 WeakPolarHBondContact O-CB 3.08Å; V39-V43 WeakPolarHBondContact O-CG2 3.26Å; V39-V43 PolarHBondContact O-N 2.89Å; V39-F461 WeakPolarHBondContact CG1-O 3.29Å; V39-T465 HydrophobicContact CB-CG2 4.18Å; V39-T465 HydrophobicContact CG1-CG2 4.09Å; V39-T465 WeakPolarHBondContact CG1-OG1 3.44Å |
| 40 | I | 90.4 | Very high | 90.4 | Very high | 47 Ų | 47 | 58.3 Ų | 58.3 | 24% | 0.241 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 176 | -72.4 | 165.3 | 0 | 0 | 0 | 111.1 | P36 A37 V43 C44 T465 I466 V469 | P36-I40 WeakPolarHBondContact O-CB 3.44Å; P36-I40 WeakPolarHBondContact O-CG1 3.49Å; P36-I40 PolarHBondContact O-N 3.23Å; A37-I40 PolarHBondContact O-N 3.18Å; I40-V43 PolarHBondContact O-N 2.91Å; I40-C44 WeakPolarHBondContact O-CB 3.45Å; I40-C44 PolarHBondContact O-N 3.07Å; I40-C44 PolarHBondContact O-SG 3.31Å; I40-T465 HydrophobicContact CD1-CG2 3.9Å; I40-T465 HydrophobicContact CG1-CG2 3.65Å; I40-I466 HydrophobicContact CD1-CG1 4.4Å; I40-V469 HydrophobicContact CD1-CG2 4.45Å |
| 41 | T | 90.4 | Very high | 90.1 | Very high | 79 Ų | 79 | 57.5 Ų | 57.5 | 49% | 0.485 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.5 | -44.7 | -178.1 | 56.3 | 0 | 0 | 0 | 0 | 112.6 | A37 P38 V39 V43 C44 I45 | A37-T41 PolarHBondContact O-N 2.85Å; A37-T41 PolarHBondContact O-OG1 3.4Å; P38-T41 WeakPolarHBondContact CA-OG1 3.23Å; P38-T41 PolarHBondContact O-OG1 2.94Å; V39-T41 PolarHBondContact O-N 3.44Å; T41-V43 PolarHBondContact O-N 2.9Å; T41-C44 PolarHBondContact O-N 3.34Å; T41-I45 WeakPolarHBondContact O-CD1 3.37Å; T41-I45 VanDerWaalsContact O-CG1 3.25Å; T41-I45 WeakPolarHBondContact O-CG1 3.45Å; T41-I45 PolarHBondContact O-N 2.73Å |
| 42 | T | 91.7 | Very high | 89.8 | Confident | 86 Ų | 86 | 58.6 Ų | 58.6 | 53% | 0.528 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63 | -40.4 | 177.5 | 49.1 | 0 | 0 | 0 | 0 | 112.4 | P38 V39 I45 L46 | P38-T42 WeakPolarHBondContact O-CB 3.46Å; P38-T42 WeakPolarHBondContact O-CG2 3.07Å; P38-T42 PolarHBondContact O-N 2.92Å; P38-T42 PolarHBondContact O-OG1 2.9Å; V39-T42 PolarHBondContact O-OG1 3.09Å; V39-T42 VanDerWaalsContact O-OG1 3.13Å; T42-I45 PolarHBondContact O-N 3.13Å; T42-L46 WeakPolarHBondContact O-CB 3.42Å; T42-L46 PolarHBondContact O-N 3.13Å |
| 43 | V | 92.5 | Very high | 89.3 | Confident | 5 Ų | 5 | 59 Ų | 59 | 3% | 0.03 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.8 | -41.8 | 176.5 | 175.9 | 0 | 0 | 0 | 0 | 111.8 | V39 I40 T41 I45 L46 M47 L458 F461 F462 | V39-V43 HydrophobicContact CG1-CG2 4.37Å; V39-V43 WeakPolarHBondContact O-CB 3.08Å; V39-V43 WeakPolarHBondContact O-CG2 3.26Å; V39-V43 PolarHBondContact O-N 2.89Å; I40-V43 PolarHBondContact O-N 2.91Å; T41-V43 PolarHBondContact O-N 2.9Å; V43-I45 VanDerWaalsContact C-N 3.35Å; V43-I45 PolarHBondContact O-N 2.85Å; V43-L46 PolarHBondContact O-N 3.36Å; V43-M47 HydrophobicContact CG1-CE 4.1Å; V43-M47 WeakPolarHBondContact O-CG 3.28Å; V43-M47 PolarHBondContact O-N 2.9Å; V43-L458 HydrophobicContact CG1-CD2 3.92Å; V43-F461 HydrophobicContact CG2-CB 3.75Å; V43-F462 HydrophobicContact CG1-CB 4.04Å; V43-F462 HydrophobicContact CG1-CD2 4.06Å; V43-F462 HydrophobicContact CG1-CG 4.48Å |
| 44 | C | 90.1 | Very high | 88.7 | Confident | 43 Ų | 43 | 61.1 Ų | 61.1 | 29% | 0.291 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.5 | -38.6 | 175.3 | -72.5 | 0 | 0 | 0 | 0 | 112.4 | I40 T41 M47 I48 | I40-C44 WeakPolarHBondContact O-CB 3.45Å; I40-C44 PolarHBondContact O-N 3.07Å; I40-C44 PolarHBondContact O-SG 3.31Å; T41-C44 PolarHBondContact O-N 3.34Å; C44-M47 PolarHBondContact O-N 3.33Å; C44-I48 WeakPolarHBondContact O-CD1 3.02Å; C44-I48 VanDerWaalsContact O-CG1 3.28Å; C44-I48 WeakPolarHBondContact O-CG1 3.38Å; C44-I48 PolarHBondContact O-N 2.98Å |
| 45 | I | 91.6 | Very high | 87.9 | Confident | 114 Ų | 114 | 64.7 Ų | 64.7 | 59% | 0.585 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -62.9 | -44.2 | 174.1 | -69.4 | 162.8 | 0 | 0 | 0 | 110.4 | T41 T42 V43 I48 F49 | T41-I45 WeakPolarHBondContact O-CD1 3.37Å; T41-I45 VanDerWaalsContact O-CG1 3.25Å; T41-I45 WeakPolarHBondContact O-CG1 3.45Å; T41-I45 PolarHBondContact O-N 2.73Å; T42-I45 PolarHBondContact O-N 3.13Å; V43-I45 VanDerWaalsContact C-N 3.35Å; V43-I45 PolarHBondContact O-N 2.85Å; I45-I48 PolarHBondContact O-N 3Å; I45-F49 WeakPolarHBondContact O-CB 3.33Å; I45-F49 PolarHBondContact O-N 2.93Å |
| 46 | L | 91.1 | Very high | 86.9 | Confident | 62 Ų | 62 | 66 Ų | 66 | 33% | 0.325 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65 | -40.4 | 177.3 | -176.5 | 62.6 | 0 | 0 | 0 | 112.5 | T42 V43 F49 L50 F457 | T42-L46 WeakPolarHBondContact O-CB 3.42Å; T42-L46 PolarHBondContact O-N 3.13Å; V43-L46 PolarHBondContact O-N 3.36Å; L46-F49 PolarHBondContact O-N 3.3Å; L46-L50 HydrophobicContact CD1-CD1 3.81Å; L46-L50 HydrophobicContact CD1-CG 4.08Å; L46-L50 HydrophobicContact CG-CD1 3.98Å; L46-L50 WeakPolarHBondContact O-CB 3.4Å; L46-L50 WeakPolarHBondContact O-CG 3.25Å; L46-L50 PolarHBondContact O-N 3.46Å; L46-F457 HydrophobicContact CD2-CE1 3.74Å; L46-F457 HydrophobicContact CD2-CZ 3.63Å |
| 47 | M | 89.9 | Confident | 85.7 | Confident | 22 Ų | 22 | 67.2 Ų | 67.2 | 11% | 0.108 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -56.5 | -50.4 | 171.6 | -74 | 176.7 | 174.8 | 0 | 0 | 110.9 | V43 C44 L50 C51 A351 L458 F462 | V43-M47 HydrophobicContact CG1-CE 4.1Å; V43-M47 WeakPolarHBondContact O-CG 3.28Å; V43-M47 PolarHBondContact O-N 2.9Å; C44-M47 PolarHBondContact O-N 3.33Å; M47-L50 PolarHBondContact O-N 3.42Å; M47-C51 VanDerWaalsContact O-CB 3.28Å; M47-C51 WeakPolarHBondContact O-CB 3.5Å; M47-C51 PolarHBondContact O-N 3.43Å; M47-C51 PolarHBondContact O-SG 2.9Å; M47-A351 HydrophobicContact CE-CB 3.77Å; M47-A351 HydrophobicContact SD-CB 4.07Å; M47-L458 HydrophobicContact CE-CD1 4.02Å; M47-L458 HydrophobicContact CE-CD2 3.54Å; M47-L458 HydrophobicContact CE-CG 4.36Å; M47-L458 HydrophobicContact CG-CD2 4.27Å; M47-F462 HydrophobicContact CE-CB 4.17Å; M47-F462 HydrophobicContact CE-CD1 3.99Å; M47-F462 HydrophobicContact CE-CD2 3.59Å; M47-F462 HydrophobicContact CE-CE1 4.2Å; M47-F462 HydrophobicContact CE-CE2 3.83Å; M47-F462 HydrophobicContact CE-CG 3.67Å; M47-F462 HydrophobicContact CE-CZ 4.12Å; M47-F462 HydrophobicContact SD-CE2 4.42Å |
| 48 | I | 87.9 | Confident | 83.9 | Confident | 126 Ų | 126 | 68.5 Ų | 68.5 | 65% | 0.646 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62.7 | -45.8 | -178.8 | -68.4 | 163.8 | 0 | 0 | 0 | 110.8 | C44 I45 L50 C51 Y52 | C44-I48 WeakPolarHBondContact O-CD1 3.02Å; C44-I48 VanDerWaalsContact O-CG1 3.28Å; C44-I48 WeakPolarHBondContact O-CG1 3.38Å; C44-I48 PolarHBondContact O-N 2.98Å; I45-I48 PolarHBondContact O-N 3Å; I48-L50 PolarHBondContact O-N 3.4Å; I48-C51 PolarHBondContact O-N 2.75Å; I48-Y52 PolarHBondContact O-N 3.15Å |
| 49 | F | 89.1 | Confident | 81.9 | Confident | 149 Ų | 149 | 75.1 Ų | 75.1 | 65% | 0.654 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -59.7 | -44.8 | 178.2 | 179.9 | -100.1 | 0 | 0 | 0 | 112.3 | I45 L46 Y52 | I45-F49 WeakPolarHBondContact O-CB 3.33Å; I45-F49 PolarHBondContact O-N 2.93Å; L46-F49 PolarHBondContact O-N 3.3Å; F49-Y52 WeakPolarHBondContact O-CB 3.45Å; F49-Y52 PolarHBondContact O-N 3.38Å |
| 50 | L | 89 | Confident | 79.6 | Confident | 23 Ų | 23 | 79.4 Ų | 79.4 | 12% | 0.12 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -78.9 | -16.4 | 179.6 | -64.8 | 176.2 | 0 | 0 | 0 | 113.8 | L46 M47 I48 P53 M355 G358 L359 | L46-L50 HydrophobicContact CD1-CD1 3.81Å; L46-L50 HydrophobicContact CD1-CG 4.08Å; L46-L50 HydrophobicContact CG-CD1 3.98Å; L46-L50 WeakPolarHBondContact O-CB 3.4Å; L46-L50 WeakPolarHBondContact O-CG 3.25Å; L46-L50 PolarHBondContact O-N 3.46Å; M47-L50 PolarHBondContact O-N 3.42Å; I48-L50 PolarHBondContact O-N 3.4Å; L50-P53 WeakPolarHBondContact O-CD 3.49Å; L50-M355 HydrophobicContact CB-CG 3.98Å; L50-M355 HydrophobicContact CD1-CE 3.41Å; L50-M355 VanDerWaalsContact CD1-CE 3.41Å; L50-M355 HydrophobicContact CD1-CG 3.77Å; L50-M355 HydrophobicContact CD1-SD 4.25Å; L50-G358 WeakPolarHBondContact O-CA 3.19Å; L50-L359 HydrophobicContact CD2-CD2 3.79Å; L50-L359 HydrophobicContact CD2-CG 4.24Å |
| 51 | C | 86.4 | Confident | 77 | Confident | 35 Ų | 35 | 85.9 Ų | 85.9 | 24% | 0.236 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -90.8 | -17 | 171.9 | -64.5 | 0 | 0 | 0 | 0 | 113.3 | M47 I48 P53 L54 | M47-C51 VanDerWaalsContact O-CB 3.28Å; M47-C51 WeakPolarHBondContact O-CB 3.5Å; M47-C51 PolarHBondContact O-N 3.43Å; M47-C51 PolarHBondContact O-SG 2.9Å; I48-C51 PolarHBondContact O-N 2.75Å; C51-P53 VanDerWaalsContact C-N 3.31Å; C51-L54 HydrophobicContact CB-CD1 4.27Å; C51-L54 WeakPolarHBondContact O-CB 3.31Å; C51-L54 VanDerWaalsContact O-CD1 3.28Å; C51-L54 WeakPolarHBondContact O-CD1 3.48Å; C51-L54 PolarHBondContact O-N 2.95Å |
| 52 | Y | 85.1 | Confident | 74.3 | Confident | 139 Ų | 139 | 89 Ų | 89 | 55% | 0.545 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -49 | -41 | 175.7 | 178.8 | -98.7 | 0 | 0 | 0 | 114.5 | I48 F49 L54 T55 | I48-Y52 PolarHBondContact O-N 3.15Å; F49-Y52 WeakPolarHBondContact O-CB 3.45Å; F49-Y52 PolarHBondContact O-N 3.38Å; Y52-L54 PolarHBondContact O-N 3.26Å; Y52-L54 VanDerWaalsContact O-N 3.1Å; Y52-T55 PolarHBondContact O-N 2.79Å; Y52-T55 PolarHBondContact O-OG1 2.78Å |
| 53 | P | 81.6 | Confident | 71.4 | Confident | 9 Ų | 9 | 89.6 Ų | 89.6 | 6% | 0.058 | 45% | 0.453 | C | S | . | . | G | 310 helix | trans | -58.6 | -23.9 | 178.1 | -22.4 | 32.8 | 0 | 0 | 0 | 114.4 | L50 C51 T55 Q56 V361 T362 | L50-P53 WeakPolarHBondContact O-CD 3.49Å; C51-P53 VanDerWaalsContact C-N 3.31Å; P53-T55 PolarHBondContact O-N 3.42Å; P53-Q56 PolarHBondContact O-N 3.06Å; P53-Q56 VanDerWaalsContact O-N 3.09Å; P53-V361 HydrophobicContact CB-CB 4.24Å; P53-V361 HydrophobicContact CB-CG1 3.98Å; P53-T362 HydrophobicContact CB-CG2 3.95Å; P53-T362 HydrophobicContact CG-CG2 3.28Å |
| 54 | L | 75.2 | Confident | 68.4 | Low | 47 Ų | 47 | 94.3 Ų | 94.3 | 25% | 0.246 | 48% | 0.484 | C | S | . | . | G | 310 helix | trans | -66.4 | -21.6 | 176.4 | -72.9 | 100.8 | 0 | 0 | 0 | 113.2 | C51 Y52 Q56 I57 F354 I357 | C51-L54 HydrophobicContact CB-CD1 4.27Å; C51-L54 WeakPolarHBondContact O-CB 3.31Å; C51-L54 VanDerWaalsContact O-CD1 3.28Å; C51-L54 WeakPolarHBondContact O-CD1 3.48Å; C51-L54 PolarHBondContact O-N 2.95Å; Y52-L54 PolarHBondContact O-N 3.26Å; Y52-L54 VanDerWaalsContact O-N 3.1Å; L54-Q56 PolarHBondContact O-N 3.49Å; L54-I57 HydrophobicContact CB-CD1 4.13Å; L54-I57 HydrophobicContact CD2-CD1 4.24Å; L54-I57 HydrophobicContact CG-CD1 3.94Å; L54-F354 WeakPolarHBondContact CD1-O 3.48Å; L54-F354 HydrophobicContact CD2-CD1 3.91Å; L54-I357 HydrophobicContact CD2-CB 4.2Å; L54-I357 HydrophobicContact CD2-CG2 3.77Å; L54-I357 HydrophobicContact CG-CG2 4.07Å |
| 55 | T | 73.9 | Confident | 65.7 | Low | 107 Ų | 107 | 98.6 Ų | 98.6 | 66% | 0.656 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -76 | -13.6 | 175 | 71.7 | 0 | 0 | 0 | 0 | 112.8 | Y52 P53 | Y52-T55 PolarHBondContact O-N 2.79Å; Y52-T55 PolarHBondContact O-OG1 2.78Å; P53-T55 PolarHBondContact O-N 3.42Å |
| 56 | Q | 68.2 | Low | 63.1 | Low | 130 Ų | 130 | 102.1 Ų | 102.1 | 61% | 0.607 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -100.2 | -1.2 | 178.2 | -59.9 | -175 | -20 | 0 | 0 | 112.9 | P53 L54 P58 | P53-Q56 PolarHBondContact O-N 3.06Å; P53-Q56 VanDerWaalsContact O-N 3.09Å; L54-Q56 PolarHBondContact O-N 3.49Å; Q56-P58 WeakPolarHBondContact O-CD 3.2Å |
| 57 | I | 63.8 | Low | 60.4 | Low | 45 Ų | 45 | 110.4 Ų | 110.4 | 23% | 0.231 | 54% | 0.543 | C | S | . | . | trans | -67.1 | 119.2 | 175.7 | -67.9 | 174.6 | 0 | 0 | 0 | 108.8 | L54 F59 I357 V361 M367 | L54-I57 HydrophobicContact CB-CD1 4.13Å; L54-I57 HydrophobicContact CD2-CD1 4.24Å; L54-I57 HydrophobicContact CG-CD1 3.94Å; I57-F59 PolarHBondContact O-N 3.5Å; I57-I357 HydrophobicContact CD1-CG2 4.18Å; I57-V361 HydrophobicContact CD1-CG2 4.16Å; I57-V361 HydrophobicContact CG1-CG2 4.19Å; I57-M367 HydrophobicContact CG2-CE 4.01Å; I57-M367 HydrophobicContact CG2-SD 4.15Å | ||
| 58 | P | 51.8 | Low | 57.8 | Low | 92 Ų | 92 | 113.4 Ų | 113.4 | 60% | 0.597 | 57% | 0.571 | S | S | * | * | trans | -66.2 | 125.1 | 170.5 | 27.9 | -32.8 | 0 | 0 | 0 | 108.8 | Q56 V60 | Q56-P58 WeakPolarHBondContact O-CD 3.2Å; P58-V60 WeakPolarHBondContact O-CG2 3.31Å; P58-V60 PolarHBondContact O-N 3.41Å | ||
| 59 | F | 49.8 | Very low | 55.2 | Low | 210 Ų | 210 | 112 Ų | 112 | 92% | 0.921 | 57% | 0.568 | S | S | * | * | trans | -60.7 | 105.6 | 169.8 | -88 | -89.7 | 0 | 0 | 0 | 108.6 | I57 K61 | I57-F59 PolarHBondContact O-N 3.5Å; F59-K61 PolarHBondContact O-N 2.88Å | ||
| 60 | V | 43 | Very low | 52.7 | Low | 97 Ų | 97 | 108.8 Ų | 108.8 | 59% | 0.588 | 56% | 0.561 | S | S | * | * | trans | -69.1 | 95.1 | -171 | -175.3 | 0 | 0 | 0 | 0 | 110.5 | P58 E62 V63 M367 | P58-V60 WeakPolarHBondContact O-CG2 3.31Å; P58-V60 PolarHBondContact O-N 3.41Å; V60-E62 PolarHBondContact O-N 2.82Å; V60-V63 HydrophobicContact CG1-CG2 4.05Å; V60-M367 HydrophobicContact CG2-CE 3.81Å | ||
| 61 | K | 34.4 | Very low | 50.1 | Low | 184 Ų | 184 | 113.6 Ų | 113.6 | 80% | 0.8 | 58% | 0.577 | S | S | * | * | trans | -66.3 | 113.8 | 158.1 | -92.3 | -173.3 | 169.4 | -173.5 | 0 | 108.8 | F59 V63 | F59-K61 PolarHBondContact O-N 2.88Å; K61-V63 PolarHBondContact O-N 3.42Å; K61-V63 VanDerWaalsContact O-N 3.15Å | ||
| 62 | E | 34.2 | Very low | 47.8 | Very low | 144 Ų | 144 | 117.7 Ų | 117.7 | 67% | 0.673 | 60% | 0.597 | S | S | * | * | trans | 40.2 | 62 | 146.4 | -62.7 | 174.3 | 160.7 | 0 | 0 | 115.5 | V60 R305 | V60-E62 PolarHBondContact O-N 2.82Å; E62-R305 IonicContact OE1-NE 3.84Å; E62-R305 IonicContact OE1-NH2 3.71Å | ||
| 63 | V | 31.7 | Very low | 45.5 | Very low | 98 Ų | 98 | 115.9 Ų | 115.9 | 59% | 0.594 | 60% | 0.597 | S | S | * | * | trans | -90.8 | 123.8 | 165.1 | 179.6 | 0 | 0 | 0 | 0 | 108.8 | V60 K61 I65 | V60-V63 HydrophobicContact CG1-CG2 4.05Å; K61-V63 PolarHBondContact O-N 3.42Å; K61-V63 VanDerWaalsContact O-N 3.15Å; V63-I65 VanDerWaalsContact O-CG1 3.31Å; V63-I65 WeakPolarHBondContact O-CG1 3.3Å; V63-I65 PolarHBondContact O-N 3.04Å | ||
| 64 | P | 29.8 | Very low | 43.5 | Very low | 104 Ų | 104 | 119.4 Ų | 119.4 | 68% | 0.675 | 61% | 0.612 | S | S | * | * | trans | -67.1 | 116.7 | -178.7 | 25.1 | -33 | 0 | 0 | 0 | 111.7 | H66 | P64-H66 VanDerWaalsContact C-N 3.33Å; P64-H66 PolarHBondContact O-N 2.78Å | ||
| 65 | I | 33.6 | Very low | 41.6 | Very low | 133 Ų | 133 | 121.7 Ų | 121.7 | 68% | 0.682 | 62% | 0.621 | S | S | * | * | trans | -85.6 | 67.4 | -168 | -46.3 | -177.1 | 0 | 0 | 0 | 112 | V63 | V63-I65 VanDerWaalsContact O-CG1 3.31Å; V63-I65 WeakPolarHBondContact O-CG1 3.3Å; V63-I65 PolarHBondContact O-N 3.04Å | ||
| 66 | H | 35.7 | Very low | 39.9 | Very low | 188 Ų | 188 | 121.7 Ų | 121.7 | 87% | 0.87 | 61% | 0.613 | S | S | * | * | trans | -131.9 | 40.1 | 167.6 | -89.4 | -8.9 | 0 | 0 | 0 | 113.7 | P64 A68 | P64-H66 VanDerWaalsContact C-N 3.33Å; P64-H66 PolarHBondContact O-N 2.78Å; H66-A68 VanDerWaalsContact C-N 3.31Å; H66-A68 PolarHBondContact O-N 3.02Å | ||
| 67 | R | 34.8 | Very low | 38.5 | Very low | 236 Ų | 236 | 119.7 Ų | 119.7 | 89% | 0.891 | 61% | 0.613 | S | S | * | * | trans | -68.6 | 92.3 | 153 | -77.9 | -172.4 | 177.8 | 175 | 0 | 109.1 | V69 | R67-V69 PolarHBondContact O-N 2.66Å; R67-V69 VanDerWaalsContact O-N 3.17Å | ||
| 68 | A | 34.2 | Very low | 37.3 | Very low | 85 Ų | 85 | 122.1 Ų | 122.1 | 70% | 0.702 | 62% | 0.622 | S | S | * | * | trans | -62.2 | 113.3 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108 | H66 V70 | H66-A68 VanDerWaalsContact C-N 3.31Å; H66-A68 PolarHBondContact O-N 3.02Å; A68-V70 VanDerWaalsContact C-N 3.3Å; A68-V70 PolarHBondContact O-N 3.14Å | ||
| 69 | V | 34.4 | Very low | 36.4 | Very low | 96 Ų | 96 | 123.2 Ų | 123.2 | 58% | 0.582 | 62% | 0.618 | S | S | * | * | trans | -73.3 | 89.6 | 176.4 | -178.1 | 0 | 0 | 0 | 0 | 108.1 | R67 R71 | R67-V69 PolarHBondContact O-N 2.66Å; R67-V69 VanDerWaalsContact O-N 3.17Å; V69-R71 PolarHBondContact O-N 2.99Å | ||
| 70 | V | 36 | Very low | 36 | Very low | 82 Ų | 82 | 118.6 Ų | 118.6 | 50% | 0.497 | 60% | 0.603 | S | S | . | * | trans | -55.6 | 129 | 165 | 179.1 | 0 | 0 | 0 | 0 | 107.4 | A68 E74 F75 | A68-V70 VanDerWaalsContact C-N 3.3Å; A68-V70 PolarHBondContact O-N 3.14Å; V70-E74 HydrophobicContact CG1-CB 3.47Å; V70-E74 VanDerWaalsContact CG1-CB 3.47Å; V70-F75 HydrophobicContact CG1-CB 4.38Å | ||
| 71 | R | 34.4 | Very low | 35.9 | Very low | 124 Ų | 124 | 117.2 Ų | 117.2 | 47% | 0.468 | 60% | 0.597 | S | S | . | * | trans | -65.9 | 155 | -177.6 | -67.4 | 174.9 | -72.8 | 148 | -12.1 | 110.6 | V69 D73 E74 F75 | V69-R71 PolarHBondContact O-N 2.99Å; R71-D73 IonicContact CZ-OD2 3.96Å; R71-D73 IonicContact NH1-OD2 3.5Å; R71-D73 PolarHBondContact NH1-OD2 3.35Å; R71-D73 PolarHBondContact O-N 3.05Å; R71-E74 HydrophobicContact CB-CB 4.47Å; R71-E74 HydrophobicContact CB-CG 4.36Å; R71-E74 WeakPolarHBondContact CB-OE2 3.48Å; R71-E74 WeakPolarHBondContact CG-OE2 3.12Å; R71-E74 IonicContact CZ-OE1 3.1Å; R71-E74 IonicContact CZ-OE2 3.7Å; R71-E74 PolarHBondContact N-OE2 3.28Å; R71-E74 VanDerWaalsContact NE-CD 3.26Å; R71-E74 IonicContact NE-OE1 3.56Å; R71-E74 PolarHBondContact NE-OE1 3.13Å; R71-E74 IonicContact NE-OE2 3.7Å; R71-E74 PolarHBondContact NE-OE2 3Å; R71-E74 IonicContact NH2-OE1 2.64Å; R71-E74 PolarHBondContact NH2-OE1 3.37Å; R71-E74 IonicContact NH2-OE2 2.74Å; R71-E74 CarbonylContact O-C 3.51Å; R71-E74 WeakPolarHBondContact O-CA 3.34Å; R71-E74 WeakPolarHBondContact O-CB 3.04Å; R71-E74 PolarHBondContact O-N 2.92Å; R71-F75 WeakPolarHBondContact O-CB 3.49Å; R71-F75 PolarHBondContact O-N 2.8Å | ||
| 72 | D | 37.7 | Very low | 35.8 | Very low | 121 Ų | 121 | 113.9 Ų | 113.9 | 65% | 0.647 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -55.9 | -36.3 | 172.8 | -74.1 | -59.9 | 0 | 0 | 0 | 111.9 | E74 F75 Q76 | D72-E74 VanDerWaalsContact C-N 3.32Å; D72-E74 PolarHBondContact O-N 2.92Å; D72-F75 CarbonylContact O-C 3.56Å; D72-F75 PolarHBondContact O-N 2.9Å; D72-Q76 VanDerWaalsContact O-CB 3.23Å; D72-Q76 WeakPolarHBondContact O-CB 3.26Å; D72-Q76 VanDerWaalsContact O-CG 3.22Å; D72-Q76 WeakPolarHBondContact O-CG 3.24Å; D72-Q76 PolarHBondContact O-N 3.48Å; D72-Q76 PolarHBondContact O-OE1 2.96Å |
| 73 | D | 38.7 | Very low | 35.9 | Very low | 101 Ų | 101 | 116.3 Ų | 116.3 | 54% | 0.54 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -57.4 | -43.3 | 173 | -30.9 | -46.3 | 0 | 0 | 0 | 112.5 | R71 S77 | R71-D73 IonicContact CZ-OD2 3.96Å; R71-D73 IonicContact NH1-OD2 3.5Å; R71-D73 PolarHBondContact NH1-OD2 3.35Å; R71-D73 PolarHBondContact O-N 3.05Å; D73-S77 PolarHBondContact O-N 3.44Å |
| 74 | E | 37.7 | Very low | 36.2 | Very low | 83 Ų | 83 | 117 Ų | 117 | 39% | 0.388 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -75.8 | -36.1 | -179.7 | -68.9 | 165.2 | 149.8 | 0 | 0 | 110.4 | V70 R71 D72 Q76 S77 F78 | V70-E74 HydrophobicContact CG1-CB 3.47Å; V70-E74 VanDerWaalsContact CG1-CB 3.47Å; R71-E74 HydrophobicContact CB-CB 4.47Å; R71-E74 HydrophobicContact CB-CG 4.36Å; R71-E74 WeakPolarHBondContact CB-OE2 3.48Å; R71-E74 WeakPolarHBondContact CG-OE2 3.12Å; R71-E74 IonicContact CZ-OE1 3.1Å; R71-E74 IonicContact CZ-OE2 3.7Å; R71-E74 PolarHBondContact N-OE2 3.28Å; R71-E74 VanDerWaalsContact NE-CD 3.26Å; R71-E74 IonicContact NE-OE1 3.56Å; R71-E74 PolarHBondContact NE-OE1 3.13Å; R71-E74 IonicContact NE-OE2 3.7Å; R71-E74 PolarHBondContact NE-OE2 3Å; R71-E74 IonicContact NH2-OE1 2.64Å; R71-E74 PolarHBondContact NH2-OE1 3.37Å; R71-E74 IonicContact NH2-OE2 2.74Å; R71-E74 CarbonylContact O-C 3.51Å; R71-E74 WeakPolarHBondContact O-CA 3.34Å; R71-E74 WeakPolarHBondContact O-CB 3.04Å; R71-E74 PolarHBondContact O-N 2.92Å; D72-E74 VanDerWaalsContact C-N 3.32Å; D72-E74 PolarHBondContact O-N 2.92Å; E74-Q76 VanDerWaalsContact C-N 3.34Å; E74-S77 PolarHBondContact O-N 3.25Å; E74-F78 VanDerWaalsContact O-CB 3.26Å; E74-F78 WeakPolarHBondContact O-CB 3.33Å; E74-F78 PolarHBondContact O-N 2.89Å |
| 75 | F | 36.4 | Very low | 36.2 | Very low | 96 Ų | 96 | 119.2 Ų | 119.2 | 42% | 0.421 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -72.1 | -26.9 | 175.6 | -167.2 | -105.8 | 0 | 0 | 0 | 112.6 | V70 R71 D72 F78 K79 | V70-F75 HydrophobicContact CG1-CB 4.38Å; R71-F75 WeakPolarHBondContact O-CB 3.49Å; R71-F75 PolarHBondContact O-N 2.8Å; D72-F75 CarbonylContact O-C 3.56Å; D72-F75 PolarHBondContact O-N 2.9Å; F75-F78 CarbonylContact O-C 3.57Å; F75-F78 WeakPolarHBondContact O-CA 3.36Å; F75-F78 WeakPolarHBondContact O-CB 3.36Å; F75-F78 PolarHBondContact O-N 2.76Å; F75-K79 WeakPolarHBondContact O-CB 3.43Å; F75-K79 PolarHBondContact O-N 3.4Å |
| 76 | Q | 38.2 | Very low | 36 | Very low | 107 Ų | 107 | 118.6 Ų | 118.6 | 50% | 0.5 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -77.9 | -40.7 | 170.9 | -75.8 | 174.8 | -57.3 | 0 | 0 | 111.2 | D72 E74 F78 K79 D80 | D72-Q76 VanDerWaalsContact O-CB 3.23Å; D72-Q76 WeakPolarHBondContact O-CB 3.26Å; D72-Q76 VanDerWaalsContact O-CG 3.22Å; D72-Q76 WeakPolarHBondContact O-CG 3.24Å; D72-Q76 PolarHBondContact O-N 3.48Å; D72-Q76 PolarHBondContact O-OE1 2.96Å; E74-Q76 VanDerWaalsContact C-N 3.34Å; Q76-F78 PolarHBondContact O-N 2.9Å; Q76-K79 CarbonylContact O-C 3.52Å; Q76-K79 WeakPolarHBondContact O-CA 3.49Å; Q76-K79 WeakPolarHBondContact O-CB 3.32Å; Q76-K79 PolarHBondContact O-N 3.47Å; Q76-D80 PolarHBondContact O-N 3.28Å |
| 77 | S | 38.9 | Very low | 35.8 | Very low | 87 Ų | 87 | 117.3 Ų | 117.3 | 61% | 0.608 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -59.3 | -29.2 | 164.7 | -170.9 | 0 | 0 | 0 | 0 | 112.2 | D73 E74 K79 S81 | D73-S77 PolarHBondContact O-N 3.44Å; E74-S77 PolarHBondContact O-N 3.25Å; S77-K79 VanDerWaalsContact C-N 3.32Å; S77-S81 PolarHBondContact O-N 2.81Å; S77-S81 PolarHBondContact O-OG 2.66Å |
| 78 | F | 38.5 | Very low | 35.7 | Very low | 97 Ų | 97 | 112.6 Ų | 112.6 | 43% | 0.425 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -86.4 | 5.5 | 171.3 | -159.1 | -94.1 | 0 | 0 | 0 | 113.2 | E74 F75 Q76 S81 R82 H839 | E74-F78 VanDerWaalsContact O-CB 3.26Å; E74-F78 WeakPolarHBondContact O-CB 3.33Å; E74-F78 PolarHBondContact O-N 2.89Å; F75-F78 CarbonylContact O-C 3.57Å; F75-F78 WeakPolarHBondContact O-CA 3.36Å; F75-F78 WeakPolarHBondContact O-CB 3.36Å; F75-F78 PolarHBondContact O-N 2.76Å; Q76-F78 PolarHBondContact O-N 2.9Å; F78-S81 WeakPolarHBondContact CA-OG 3.37Å; F78-S81 PolarHBondContact O-OG 3.26Å; F78-R82 PolarHBondContact O-NE 3.43Å; F78-R82 PolarHBondContact O-NH2 3.07Å; F78-R82 VanDerWaalsContact O-NH2 3.16Å; F78-H839 AromaticContact CZ-CE1 3.79Å; F78-H839 AromaticContact CZ-NE2 3.55Å |
| 79 | K | 33.3 | Very low | 35.9 | Very low | 115 Ų | 115 | 114.9 Ų | 114.9 | 50% | 0.5 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -112.7 | -40.7 | 176.6 | -161.6 | 171.8 | -174.6 | -178.9 | 0 | 110.7 | F75 Q76 S77 S81 R82 | F75-K79 WeakPolarHBondContact O-CB 3.43Å; F75-K79 PolarHBondContact O-N 3.4Å; Q76-K79 CarbonylContact O-C 3.52Å; Q76-K79 WeakPolarHBondContact O-CA 3.49Å; Q76-K79 WeakPolarHBondContact O-CB 3.32Å; Q76-K79 PolarHBondContact O-N 3.47Å; S77-K79 VanDerWaalsContact C-N 3.32Å; K79-S81 PolarHBondContact O-N 3.47Å; K79-R82 VanDerWaalsContact O-CB 3.28Å; K79-R82 WeakPolarHBondContact O-CB 3.32Å; K79-R82 WeakPolarHBondContact O-CG 3.49Å; K79-R82 PolarHBondContact O-N 3.3Å |
| 80 | D | 40.5 | Very low | 35.9 | Very low | 113 Ų | 113 | 118.3 Ų | 118.3 | 60% | 0.604 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67.1 | -23.4 | 170.7 | -58.9 | -20.8 | 0 | 0 | 0 | 111.3 | Q76 R82 Y83 | Q76-D80 PolarHBondContact O-N 3.28Å; D80-R82 VanDerWaalsContact C-N 3.26Å; D80-R82 PolarHBondContact O-N 2.92Å; D80-Y83 WeakPolarHBondContact O-CD2 3.48Å |
| 81 | S | 41.2 | Very low | 36 | Very low | 68 Ų | 68 | 121 Ų | 121 | 48% | 0.476 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.8 | -6.7 | 168.7 | 68.5 | 0 | 0 | 0 | 0 | 114.8 | S77 F78 K79 | S77-S81 PolarHBondContact O-N 2.81Å; S77-S81 PolarHBondContact O-OG 2.66Å; F78-S81 WeakPolarHBondContact CA-OG 3.37Å; F78-S81 PolarHBondContact O-OG 3.26Å; K79-S81 PolarHBondContact O-N 3.47Å |
| 82 | R | 32.5 | Very low | 36.5 | Very low | 114 Ų | 114 | 123.1 Ų | 123.1 | 43% | 0.43 | 61% | 0.611 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85 | -5.6 | -178.6 | -57.6 | 179.4 | -153.8 | 171.3 | 16.5 | 113.6 | F78 K79 D80 V84 | F78-R82 PolarHBondContact O-NE 3.43Å; F78-R82 PolarHBondContact O-NH2 3.07Å; F78-R82 VanDerWaalsContact O-NH2 3.16Å; K79-R82 VanDerWaalsContact O-CB 3.28Å; K79-R82 WeakPolarHBondContact O-CB 3.32Å; K79-R82 WeakPolarHBondContact O-CG 3.49Å; K79-R82 PolarHBondContact O-N 3.3Å; D80-R82 VanDerWaalsContact C-N 3.26Å; D80-R82 PolarHBondContact O-N 2.92Å; R82-V84 PolarHBondContact O-N 2.86Å |
| 83 | Y | 36 | Very low | 37.1 | Very low | 194 Ų | 194 | 119.1 Ų | 119.1 | 76% | 0.761 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 9.2 | -178.3 | -78.3 | -75.1 | 0 | 0 | 0 | 115.6 | D80 | D80-Y83 WeakPolarHBondContact O-CD2 3.48Š|
| 84 | V | 37.5 | Very low | 38 | Very low | 113 Ų | 113 | 116.5 Ų | 116.5 | 69% | 0.685 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | -15.8 | -176.6 | -177.1 | 0 | 0 | 0 | 0 | 113.3 | R82 | R82-V84 PolarHBondContact O-N 2.86Š|
| 85 | F | 29.6 | Very low | 39.3 | Very low | 150 Ų | 150 | 112.5 Ų | 112.5 | 66% | 0.658 | 56% | 0.56 | S | S | * | * | trans | -123.4 | 98.4 | 179.5 | -66.1 | -76.8 | 0 | 0 | 0 | 110.5 | V836 | F85-V836 HydrophobicContact CE2-CG1 4.31Å; F85-V836 HydrophobicContact CZ-CG1 4.26Å | ||
| 86 | T | 29.8 | Very low | 41 | Very low | 120 Ų | 120 | 110.8 Ų | 110.8 | 74% | 0.736 | 55% | 0.551 | S | S | * | * | trans | -97.2 | 149.6 | 179.5 | 50.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 87 | H | 31.3 | Very low | 42.7 | Very low | 161 Ų | 161 | 105.9 Ų | 105.9 | 75% | 0.745 | 53% | 0.528 | S | S | * | . | S | Bend | trans | 77.4 | 116.8 | 176.9 | -79.8 | -85.2 | 0 | 0 | 0 | 117.9 | ||
| 88 | D | 32.9 | Very low | 44.7 | Very low | 138 Ų | 138 | 102.4 Ų | 102.4 | 74% | 0.738 | 50% | 0.502 | S | S | * | . | trans | 60.6 | 75.5 | 133.3 | -46.8 | -17.4 | 0 | 0 | 0 | 119.6 | ||||
| 89 | D | 39.3 | Very low | 46.7 | Very low | 133 Ų | 133 | 98.4 Ų | 98.4 | 71% | 0.711 | 49% | 0.485 | S | S | * | . | -165.5 | 142.6 | 123.1 | -133.7 | 9.6 | 0 | 0 | 0 | 112 | K92 | D89-K92 IonicContact OD2-NZ 3.77Å; D89-K92 PolarHBondContact OD2-NZ 3.44Å | |||
| 90 | E | 34 | Very low | 49 | Very low | 167 Ų | 167 | 93 Ų | 93 | 78% | 0.78 | 46% | 0.461 | S | S | * | . | trans | -87.9 | 133 | 173.3 | -68 | -163.6 | 149.3 | 0 | 0 | 111.8 | ||||
| 91 | N | 38.1 | Very low | 51 | Low | 139 Ų | 139 | 87.8 Ų | 87.8 | 74% | 0.743 | 43% | 0.434 | S | S | * | . | trans | 61.7 | 98.5 | 173 | -47.8 | -74.2 | 0 | 0 | 0 | 117.1 | ||||
| 92 | K | 45.3 | Very low | 52.7 | Low | 169 Ų | 169 | 84.6 Ų | 84.6 | 74% | 0.735 | 41% | 0.411 | S | S | * | . | trans | -150 | 131.7 | 146.8 | -86.5 | 108.7 | -169.6 | 167.3 | 0 | 112.7 | D89 | D89-K92 IonicContact OD2-NZ 3.77Å; D89-K92 PolarHBondContact OD2-NZ 3.44Å | ||
| 93 | S | 49.6 | Very low | 54.9 | Low | 36 Ų | 36 | 80.8 Ų | 80.8 | 25% | 0.252 | 40% | 0.398 | S | S | . | . | trans | -76.2 | 152.7 | 148.3 | 47.9 | 0 | 0 | 0 | 0 | 109.1 | G95 Y96 | S93-G95 PolarHBondContact O-N 3.49Å; S93-Y96 WeakPolarHBondContact OG-CE2 3.45Å; S93-Y96 PolarHBondContact OG-OH 2.77Å | ||
| 94 | L | 56.5 | Low | 56.8 | Low | 46 Ų | 46 | 71.5 Ų | 71.5 | 24% | 0.241 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -64.7 | -32.2 | -178.5 | -162 | 72 | 0 | 0 | 0 | 112.5 | F156 L833 L835 C838 H839 | L94-F156 WeakPolarHBondContact O-CE2 3.33Å; L94-L833 HydrophobicContact CD2-CB 4.48Å; L94-L835 HydrophobicContact CD2-CD2 3.81Å; L94-C838 HydrophobicContact CB-CB 4.17Å; L94-C838 HydrophobicContact CD1-CB 4.17Å; L94-H839 PolarHBondContact N-O 3.17Å |
| 95 | G | 65.9 | Low | 58.4 | Low | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.7 | 170.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S93 F250 A841 | S93-G95 PolarHBondContact O-N 3.49Å; G95-F250 CarbonylContact C-O 3.49Å; G95-F250 VanDerWaalsContact CA-O 3.28Å; G95-F250 WeakPolarHBondContact CA-O 3.38Å; G95-A841 PolarHBondContact O-N 2.89Å |
| 96 | Y | 71.2 | Confident | 60.3 | Low | 59 Ų | 59 | 62.2 Ų | 62.2 | 23% | 0.231 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 143.3 | 175.1 | -60.4 | -94.7 | 0 | 0 | 0 | 109.6 | S93 V249 F250 Y253 A841 L843 | S93-Y96 WeakPolarHBondContact OG-CE2 3.45Å; S93-Y96 PolarHBondContact OG-OH 2.77Å; Y96-V249 WeakPolarHBondContact O-CA 3.49Å; Y96-F250 PolarHBondContact N-O 2.76Å; Y96-F250 PolarHBondContact O-N 2.81Å; Y96-Y253 HydrophobicContact CD1-CD2 4.07Å; Y96-Y253 HydrophobicContact CD1-CG 4.08Å; Y96-Y253 VanDerWaalsContact CE1-CB 3.45Å; Y96-Y253 HydrophobicContact CE1-CD2 4.49Å; Y96-Y253 HydrophobicContact CE1-CG 4.07Å; Y96-A841 CarbonylContact C-O 3.45Å; Y96-A841 WeakPolarHBondContact CA-O 3.43Å; Y96-A841 HydrophobicContact CD1-CB 3.33Å; Y96-A841 HydrophobicContact CE1-CB 3.57Å; Y96-A841 HydrophobicContact CG-CB 4.14Å; Y96-L843 HydrophobicContact CD1-CD2 4.45Å |
| 97 | M | 75.2 | Confident | 62.2 | Low | 5 Ų | 5 | 57.7 Ų | 57.7 | 3% | 0.025 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 119.4 | -165.1 | 176.6 | 165.9 | -105.9 | 0 | 0 | 111.7 | T247 V249 W824 L827 L840 A841 L842 L843 | M97-T247 HydrophobicContact CE-CG2 3.78Å; M97-T247 HydrophobicContact CG-CG2 4.48Å; M97-V249 HydrophobicContact CE-CG2 3.6Å; M97-W824 HydrophobicContact CE-CD2 4.49Å; M97-W824 HydrophobicContact CE-CE3 3.55Å; M97-W824 HydrophobicContact CE-CH2 4.35Å; M97-W824 HydrophobicContact CE-CZ3 3.49Å; M97-W824 VanDerWaalsContact CE-CZ3 3.49Å; M97-W824 HydrophobicContact CG-CH2 4.05Å; M97-W824 HydrophobicContact CG-CZ3 4.11Å; M97-W824 HydrophobicContact SD-CD2 3.63Å; M97-W824 HydrophobicContact SD-CE3 3.18Å; M97-W824 HydrophobicContact SD-CH2 3.54Å; M97-W824 VanDerWaalsContact SD-CH2 3.54Å; M97-W824 HydrophobicContact SD-CZ2 3.91Å; M97-W824 HydrophobicContact SD-CZ3 3.16Å; M97-W824 WeakPolarHBondContact SD-CZ3 3.49Å; M97-L827 HydrophobicContact CE-CD2 3.56Å; M97-L840 HydrophobicContact SD-CD2 3.92Å; M97-A841 PolarHBondContact N-O 2.99Å; M97-L842 HydrophobicContact CB-CD2 4.15Å; M97-L842 HydrophobicContact CG-CD2 4.08Å; M97-L842 HydrophobicContact SD-CD2 3.79Å; M97-L843 WeakPolarHBondContact O-CB 3.21Å; M97-L843 PolarHBondContact O-N 3.34Å |
| 98 | L | 80.3 | Confident | 63.9 | Low | 13 Ų | 13 | 51 Ų | 51 | 7% | 0.068 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 136.2 | -178.3 | -174 | 65.4 | 0 | 0 | 0 | 110 | L248 F250 F258 L843 E844 V846 | L98-L248 HydrophobicContact CB-CB 4.4Å; L98-L248 HydrophobicContact CD2-CD1 4.39Å; L98-L248 PolarHBondContact N-O 3.4Å; L98-L248 PolarHBondContact O-N 2.84Å; L98-F250 HydrophobicContact CB-CE2 3.99Å; L98-F250 HydrophobicContact CD2-CE2 4.37Å; L98-F258 HydrophobicContact CD2-CD1 4.07Å; L98-F258 HydrophobicContact CD2-CE1 4.13Å; L98-L843 HydrophobicContact CB-CD1 4.29Å; L98-L843 HydrophobicContact CD1-CB 4.03Å; L98-L843 HydrophobicContact CD1-CD1 4.46Å; L98-E844 WeakPolarHBondContact CD1-O 3.48Å; L98-V846 HydrophobicContact CD1-CG2 4.34Å |
| 99 | Q | 81.1 | Confident | 65.2 | Low | 13 Ų | 13 | 50.6 Ų | 50.6 | 6% | 0.061 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 132.8 | 168.6 | -70.7 | -165.3 | -51.4 | 0 | 0 | 111.2 | V101 A245 L246 W824 P845 V846 | Q99-V101 HydrophobicContact CB-CG2 4.23Å; Q99-A245 HydrophobicContact CB-CB 4.38Å; Q99-L246 CarbonylContact C-O 3.48Å; Q99-L246 VanDerWaalsContact CA-O 3.29Å; Q99-L246 WeakPolarHBondContact CA-O 3.45Å; Q99-W824 HydrophobicContact CG-CH2 3.85Å; Q99-P845 HydrophobicContact CB-CB 4.21Å; Q99-P845 CarbonylContact O-C 3.45Å; Q99-P845 VanDerWaalsContact O-CA 3.29Å; Q99-P845 WeakPolarHBondContact O-CA 3.32Å; Q99-V846 PolarHBondContact O-N 3.09Å |
| 100 | I | 81.9 | Confident | 66.1 | Low | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 95.5 | 168.3 | -53.1 | 173.6 | 0 | 0 | 0 | 107.1 | V134 A245 L246 L248 L265 V846 L848 | I100-V134 HydrophobicContact CD1-CG2 4.34Å; I100-A245 WeakPolarHBondContact O-CA 3.46Å; I100-L246 HydrophobicContact CB-CB 4Å; I100-L246 HydrophobicContact CD1-CD2 4.18Å; I100-L246 PolarHBondContact N-O 3Å; I100-L246 PolarHBondContact O-N 3.39Å; I100-L248 HydrophobicContact CD1-CD1 3.89Å; I100-L265 HydrophobicContact CD1-CD1 3.82Å; I100-V846 CarbonylContact C-O 3.53Å; I100-V846 WeakPolarHBondContact CA-O 3.28Å; I100-V846 HydrophobicContact CG1-CB 4.44Å; I100-V846 HydrophobicContact CG2-CB 4.47Å; I100-L848 HydrophobicContact CG2-CD1 3.59Å; I100-L848 HydrophobicContact CG2-CG 4.06Å |
| 101 | V | 80.9 | Confident | 67.4 | Low | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.024 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 112.3 | -176.4 | 177.4 | 0 | 0 | 0 | 0 | 109.4 | Q99 H103 F223 A245 P845 V846 H847 L848 | Q99-V101 HydrophobicContact CB-CG2 4.23Å; V101-H103 WeakPolarHBondContact CG1-NE2 3.46Å; V101-F223 HydrophobicContact CG1-CE2 3.83Å; V101-F223 HydrophobicContact CG1-CZ 3.78Å; V101-F223 HydrophobicContact CG2-CE2 4.17Å; V101-F223 HydrophobicContact CG2-CZ 4.1Å; V101-A245 HydrophobicContact CG2-CB 4.08Å; V101-P845 HydrophobicContact CG2-CB 3.98Å; V101-V846 PolarHBondContact N-O 2.89Å; V101-H847 WeakPolarHBondContact CB-ND1 3.41Å; V101-H847 WeakPolarHBondContact O-CA 3.16Å; V101-L848 PolarHBondContact O-N 3.17Å |
| 102 | T | 78.3 | Confident | 68.3 | Low | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 148 | 176 | 69.7 | 0 | 0 | 0 | 0 | 111.6 | I130 T243 Y244 L848 Y850 | T102-I130 HydrophobicContact CG2-CD1 3.75Å; T102-T243 VanDerWaalsContact O-CA 3.29Å; T102-T243 WeakPolarHBondContact O-CA 3.31Å; T102-Y244 HydrophobicContact CG2-CD2 4.18Å; T102-Y244 HydrophobicContact CG2-CE2 3.58Å; T102-Y244 PolarHBondContact N-O 3.23Å; T102-Y244 PolarHBondContact O-N 2.99Å; T102-Y244 WeakPolarHBondContact OG1-CD1 3.48Å; T102-Y244 VanDerWaalsContact OG1-CD2 3.28Å; T102-Y244 WeakPolarHBondContact OG1-CD2 3.32Å; T102-Y244 WeakPolarHBondContact OG1-CE1 2.98Å; T102-Y244 WeakPolarHBondContact OG1-CE2 3.4Å; T102-Y244 VanDerWaalsContact OG1-CG 3.25Å; T102-Y244 PolarHBondContact OG1-O 2.97Å; T102-Y244 VanDerWaalsContact OG1-O 3.13Å; T102-L848 CarbonylContact C-O 3.58Å; T102-L848 WeakPolarHBondContact CA-O 3.46Å; T102-L848 HydrophobicContact CG2-CB 4.42Å; T102-Y850 HydrophobicContact CG2-CE2 4.16Å |
| 103 | H | 78.2 | Confident | 68.9 | Low | 34 Ų | 34 | 35.6 Ų | 35.6 | 16% | 0.157 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 87.7 | 177.6 | -66.7 | -99.6 | 0 | 0 | 0 | 110.5 | V101 T243 W810 H847 L848 K849 Y850 | V101-H103 WeakPolarHBondContact CG1-NE2 3.46Å; H103-T243 HydrophobicContact CB-CG2 4.41Å; H103-T243 WeakPolarHBondContact ND1-CG2 3.27Å; H103-W810 AromaticContact CE1-CE2 3.74Å; H103-W810 AromaticContact CE1-CZ2 3.43Å; H103-W810 VanDerWaalsContact CE1-CZ2 3.43Å; H103-W810 WeakPolarHBondContact CE1-CZ2 3.37Å; H103-W810 AromaticContact ND1-CZ2 3.56Å; H103-H847 AromaticContact NE2-ND1 3.52Å; H103-L848 PolarHBondContact CD2-O 3.04Å; H103-L848 PolarHBondContact N-O 3Å; H103-K849 HydrophobicContact CB-CB 4.33Å; H103-K849 HydrophobicContact CB-CG 4.15Å; H103-K849 WeakPolarHBondContact O-CA 3.37Å; H103-Y850 PolarHBondContact O-N 2.76Å |
| 104 | S | 75 | Confident | 69.4 | Low | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 108.9 | -179.7 | -71.2 | 0 | 0 | 0 | 0 | 111.3 | I106 Q126 V242 | S104-I106 PolarHBondContact O-N 2.99Å; S104-Q126 PolarHBondContact OG-NE2 2.72Å; S104-Q126 PolarHBondContact OG-OE1 3.36Å; S104-V242 PolarHBondContact N-O 2.92Å; S104-V242 PolarHBondContact O-N 3.5Å |
| 105 | K | 71.1 | Confident | 69.7 | Low | 60 Ų | 60 | 41 Ų | 41 | 26% | 0.261 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 107.3 | 173.9 | -171.1 | -175 | -171.2 | -173.6 | 0 | 110.2 | I107 E239 T241 Y850 K851 L852 | K105-I107 HydrophobicContact CD-CD1 4.42Å; K105-I107 HydrophobicContact CG-CG1 4.42Å; K105-E239 VanDerWaalsContact CE-OE1 3.25Å; K105-E239 WeakPolarHBondContact CE-OE1 3.32Å; K105-E239 VanDerWaalsContact CE-OE2 3.23Å; K105-E239 WeakPolarHBondContact CE-OE2 3.48Å; K105-E239 IonicContact NZ-OE1 3.34Å; K105-E239 PolarHBondContact NZ-OE1 3.47Å; K105-E239 IonicContact NZ-OE2 2.69Å; K105-E239 PolarHBondContact NZ-OE2 3.44Å; K105-T241 HydrophobicContact CB-CG2 4.37Å; K105-T241 HydrophobicContact CG-CG2 4.27Å; K105-Y850 PolarHBondContact N-O 3.37Å; K105-K851 CarbonylContact O-C 3.55Å; K105-K851 VanDerWaalsContact O-CA 3.29Å; K105-K851 WeakPolarHBondContact O-CA 3.44Å; K105-L852 PolarHBondContact O-N 2.85Å |
| 106 | I | 70.8 | Confident | 69.6 | Low | 8 Ų | 8 | 42.8 Ų | 42.8 | 4% | 0.041 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 134.8 | 172.9 | -58.3 | 156 | 0 | 0 | 0 | 108.8 | S104 T108 T119 L123 E239 R240 V242 L852 I854 | S104-I106 PolarHBondContact O-N 2.99Å; I106-T108 HydrophobicContact CG2-CG2 4.25Å; I106-T119 HydrophobicContact CD1-CG2 3.65Å; I106-T119 HydrophobicContact CG1-CG2 4.28Å; I106-L123 HydrophobicContact CD1-CD1 4.46Å; I106-E239 WeakPolarHBondContact O-CA 3.38Å; I106-R240 PolarHBondContact N-O 3.05Å; I106-R240 PolarHBondContact O-N 3.5Å; I106-V242 HydrophobicContact CD1-CB 4.36Å; I106-V242 HydrophobicContact CD1-CG2 3.66Å; I106-L852 HydrophobicContact CG1-CB 4.43Å; I106-I854 HydrophobicContact CG2-CD1 3.62Å; I106-I854 HydrophobicContact CG2-CG1 4.26Å |
| 107 | I | 68.9 | Low | 69.4 | Low | 24 Ų | 24 | 45.1 Ų | 45.1 | 12% | 0.123 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 127.7 | 174.8 | -61.6 | 170.4 | 0 | 0 | 0 | 108.8 | K105 R238 E239 K851 L852 I854 | K105-I107 HydrophobicContact CD-CD1 4.42Å; K105-I107 HydrophobicContact CG-CG1 4.42Å; I107-R238 WeakPolarHBondContact CA-O 3.32Å; I107-E239 HydrophobicContact CG1-CG 4.36Å; I107-K851 HydrophobicContact CD1-CD 4.39Å; I107-K851 HydrophobicContact CD1-CG 4.04Å; I107-L852 PolarHBondContact N-O 2.81Å; I107-I854 PolarHBondContact O-N 3.01Å |
| 108 | T | 66.4 | Low | 69 | Low | 22 Ų | 22 | 51.3 Ų | 51.3 | 14% | 0.135 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 143.5 | 178.9 | 57.2 | 0 | 0 | 0 | 0 | 110.7 | I106 T110 R238 I854 | I106-T108 HydrophobicContact CG2-CG2 4.25Å; T108-T110 VanDerWaalsContact C-N 3.33Å; T108-T110 VanDerWaalsContact CB-O 3.24Å; T108-T110 WeakPolarHBondContact CB-O 3.43Å; T108-T110 PolarHBondContact OG1-O 3.09Å; T108-R238 PolarHBondContact N-O 3.22Å; T108-R238 VanDerWaalsContact N-O 3.1Å; T108-I854 HydrophobicContact CG2-CB 4.37Å; T108-I854 HydrophobicContact CG2-CD1 4.27Å |
| 109 | K | 60.4 | Low | 68.3 | Low | 128 Ų | 128 | 51.1 Ų | 51.1 | 56% | 0.557 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -61.9 | -44.3 | 175.1 | -70.7 | -178.8 | 178.1 | 177 | 0 | 110.8 | R238 | K109-R238 PolarHBondContact O-NE 3.16Å; K109-R238 PolarHBondContact O-NH2 3.25Å |
| 110 | T | 59.5 | Low | 67.9 | Low | 61 Ų | 61 | 52.2 Ų | 52.2 | 37% | 0.374 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -100 | 143.4 | 177.9 | 59.4 | 0 | 0 | 0 | 0 | 111.5 | T108 K112 D856 | T108-T110 VanDerWaalsContact C-N 3.33Å; T108-T110 VanDerWaalsContact CB-O 3.24Å; T108-T110 WeakPolarHBondContact CB-O 3.43Å; T108-T110 PolarHBondContact OG1-O 3.09Å; T110-K112 PolarHBondContact O-N 2.89Å; T110-K112 WeakPolarHBondContact OG1-CE 3.16Å; T110-D856 PolarHBondContact N-OD2 3.1Å; T110-D856 PolarHBondContact OG1-OD2 2.84Å |
| 111 | P | 60 | Low | 67.4 | Low | 74 Ų | 74 | 54 Ų | 54 | 48% | 0.481 | 28% | 0.276 | S | S | . | . | trans | -79 | 82.4 | 177.6 | 32.3 | -34.3 | 0 | 0 | 0 | 111.1 | C236 R238 | P111-C236 HydrophobicContact CB-CB 4.46Å; P111-C236 PolarHBondContact O-SG 3.31Å; P111-C236 VanDerWaalsContact O-SG 3.37Å; P111-R238 HydrophobicContact CB-CG 4.39Å | ||
| 112 | K | 58.5 | Low | 67.1 | Low | 100 Ų | 100 | 58 Ų | 58 | 44% | 0.435 | 29% | 0.294 | S | S | . | . | trans | -80.7 | 132.5 | 178.5 | -68.8 | 177.3 | 171.1 | 175.9 | 0 | 111.3 | T110 D856 | T110-K112 PolarHBondContact O-N 2.89Å; T110-K112 WeakPolarHBondContact OG1-CE 3.16Å; K112-D856 WeakPolarHBondContact CE-OD1 3.49Å; K112-D856 IonicContact NZ-OD1 3.65Å; K112-D856 PolarHBondContact NZ-OD1 3.02Å | ||
| 113 | C | 57 | Low | 66.9 | Low | 59 Ų | 59 | 58.4 Ų | 58.4 | 40% | 0.399 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -80.4 | -30.9 | 172.8 | -83.3 | 0 | 0 | 0 | 0 | 112 | C236 | C113-C236 WeakPolarHBondContact CA-SG 3.27Å; C113-C236 HydrophobicContact CB-CB 4.35Å; C113-C236 WeakPolarHBondContact CB-SG 3.43Å; C113-C236 PolarHBondContact N-SG 3.49Å; C113-C236 VanDerWaalsContact SG-CA 3.52Å; C113-C236 WeakPolarHBondContact SG-CB 3.35Å; C113-C236 PolarHBondContact SG-N 3.35Å; C113-C236 VanDerWaalsContact SG-N 3.36Å; C113-C236 CovalentContact SG-SG 2.03Å; C113-C236 PolarHBondContact SG-SG 3.34Å |
| 114 | H | 60.8 | Low | 67 | Low | 153 Ų | 153 | 56.9 Ų | 56.9 | 71% | 0.708 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -88.3 | 133.3 | 174 | -62.9 | -78.5 | 0 | 0 | 0 | 110.6 | ||
| 115 | I | 63.1 | Low | 67.1 | Low | 41 Ų | 41 | 61.7 Ų | 61.7 | 21% | 0.21 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 133.6 | 168.3 | -61.3 | 162.8 | 0 | 0 | 0 | 107.2 | T119 I120 L230 | I115-T119 HydrophobicContact CG2-CG2 3.71Å; I115-I120 HydrophobicContact CG2-CD1 4.32Å; I115-I120 HydrophobicContact CG2-CG1 3.78Å; I115-L230 HydrophobicContact CD1-CD2 3.89Å |
| 116 | S | 64 | Low | 67.4 | Low | 38 Ų | 38 | 59.3 Ų | 59.3 | 27% | 0.266 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 154.1 | 176.8 | 81.5 | 0 | 0 | 0 | 0 | 111.2 | E118 T119 I120 | S116-E118 WeakPolarHBondContact CB-OE2 3.35Å; S116-E118 PolarHBondContact O-N 2.87Å; S116-E118 PolarHBondContact OG-OE2 3.48Å; S116-T119 WeakPolarHBondContact O-CB 3.43Å; S116-T119 PolarHBondContact O-N 3.07Å; S116-T119 VanDerWaalsContact O-N 3.12Å; S116-T119 PolarHBondContact OG-N 2.89Å; S116-T119 PolarHBondContact OG-OG1 2.98Å; S116-I120 PolarHBondContact O-N 2.94Å |
| 117 | H | 65.1 | Low | 67.9 | Low | 108 Ų | 108 | 58.9 Ų | 58.9 | 50% | 0.5 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -55.7 | -42.8 | 175 | -179.9 | -102.2 | 0 | 0 | 0 | 111.2 | T119 I120 V121 | H117-T119 VanDerWaalsContact C-N 3.28Å; H117-T119 PolarHBondContact O-N 3.47Å; H117-I120 PolarHBondContact O-N 3Å; H117-I120 VanDerWaalsContact O-N 3.13Å; H117-V121 WeakPolarHBondContact O-CG2 3.33Å; H117-V121 PolarHBondContact O-N 3.48Å |
| 118 | E | 66.7 | Low | 68.6 | Low | 136 Ų | 136 | 60 Ų | 60 | 64% | 0.636 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -60.6 | -36.9 | 178.7 | -45.1 | 123.1 | 151.8 | 0 | 0 | 112 | S116 I120 V121 H122 | S116-E118 WeakPolarHBondContact CB-OE2 3.35Å; S116-E118 PolarHBondContact O-N 2.87Å; S116-E118 PolarHBondContact OG-OE2 3.48Å; E118-I120 VanDerWaalsContact C-N 3.3Å; E118-I120 PolarHBondContact O-N 3.46Å; E118-V121 PolarHBondContact O-N 3.22Å; E118-H122 VanDerWaalsContact O-CB 3.29Å; E118-H122 WeakPolarHBondContact O-CB 3.4Å; E118-H122 PolarHBondContact O-N 2.71Å |
| 119 | T | 67.1 | Low | 69.3 | Low | 8 Ų | 8 | 62.1 Ų | 62.1 | 5% | 0.049 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.9 | -39.4 | 178.3 | -51.1 | 0 | 0 | 0 | 0 | 111.3 | I106 I115 S116 H117 L123 I854 | I106-T119 HydrophobicContact CD1-CG2 3.65Å; I106-T119 HydrophobicContact CG1-CG2 4.28Å; I115-T119 HydrophobicContact CG2-CG2 3.71Å; S116-T119 WeakPolarHBondContact O-CB 3.43Å; S116-T119 PolarHBondContact O-N 3.07Å; S116-T119 VanDerWaalsContact O-N 3.12Å; S116-T119 PolarHBondContact OG-N 2.89Å; S116-T119 PolarHBondContact OG-OG1 2.98Å; H117-T119 VanDerWaalsContact C-N 3.28Å; H117-T119 PolarHBondContact O-N 3.47Å; T119-L123 HydrophobicContact CG2-CD1 4.39Å; T119-L123 WeakPolarHBondContact O-CD1 3.5Å; T119-L123 VanDerWaalsContact O-CG 3.29Å; T119-L123 WeakPolarHBondContact O-CG 3.46Å; T119-L123 PolarHBondContact O-N 3.3Å; T119-L123 VanDerWaalsContact O-N 3.17Å; T119-I854 HydrophobicContact CG2-CD1 4.05Å; T119-I854 VanDerWaalsContact OG1-CD1 3.24Å; T119-I854 WeakPolarHBondContact OG1-CD1 3.35Å |
| 120 | I | 72.1 | Confident | 70.2 | Confident | 36 Ų | 36 | 56.2 Ų | 56.2 | 19% | 0.185 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -70.9 | -44.5 | 177 | -62 | 177.9 | 0 | 0 | 0 | 110 | I115 S116 H117 E118 H122 L123 L124 I208 | I115-I120 HydrophobicContact CG2-CD1 4.32Å; I115-I120 HydrophobicContact CG2-CG1 3.78Å; S116-I120 PolarHBondContact O-N 2.94Å; H117-I120 PolarHBondContact O-N 3Å; H117-I120 VanDerWaalsContact O-N 3.13Å; E118-I120 VanDerWaalsContact C-N 3.3Å; E118-I120 PolarHBondContact O-N 3.46Å; I120-H122 PolarHBondContact O-N 3.36Å; I120-L123 PolarHBondContact O-N 3.38Å; I120-L124 HydrophobicContact CG2-CD1 4.04Å; I120-L124 HydrophobicContact CG2-CG 4.44Å; I120-L124 VanDerWaalsContact O-CG 3.31Å; I120-L124 WeakPolarHBondContact O-CG 3.22Å; I120-L124 PolarHBondContact O-N 3.41Å; I120-I208 HydrophobicContact CG2-CD1 3.71Å |
| 121 | V | 72.1 | Confident | 71.4 | Confident | 40 Ų | 40 | 53.9 Ų | 53.9 | 24% | 0.242 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.1 | -45.4 | 176.3 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | H117 E118 L123 L124 Q125 V204 | H117-V121 WeakPolarHBondContact O-CG2 3.33Å; H117-V121 PolarHBondContact O-N 3.48Å; E118-V121 PolarHBondContact O-N 3.22Å; V121-L123 VanDerWaalsContact C-N 3.34Å; V121-L123 PolarHBondContact O-N 3.21Å; V121-L124 PolarHBondContact O-N 2.91Å; V121-Q125 WeakPolarHBondContact O-CB 3.38Å; V121-Q125 PolarHBondContact O-N 3.02Å; V121-V204 HydrophobicContact CG2-CG2 4.41Å |
| 122 | H | 73.1 | Confident | 72.6 | Confident | 88 Ų | 88 | 54.6 Ų | 54.6 | 41% | 0.407 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.5 | -37.3 | 177.9 | -171.4 | -30.3 | 0 | 0 | 0 | 112.2 | E118 I120 Q126 | E118-H122 VanDerWaalsContact O-CB 3.29Å; E118-H122 WeakPolarHBondContact O-CB 3.4Å; E118-H122 PolarHBondContact O-N 2.71Å; I120-H122 PolarHBondContact O-N 3.36Å; H122-Q126 WeakPolarHBondContact O-CB 3.49Å; H122-Q126 PolarHBondContact O-N 2.91Å |
| 123 | L | 75.3 | Confident | 73.7 | Confident | 8 Ų | 8 | 49.9 Ų | 49.9 | 4% | 0.042 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68.7 | -38.2 | 174.9 | -74.3 | 162.6 | 0 | 0 | 0 | 112.4 | I106 T119 I120 V121 S127 L230 V242 Y244 | I106-L123 HydrophobicContact CD1-CD1 4.46Å; T119-L123 HydrophobicContact CG2-CD1 4.39Å; T119-L123 WeakPolarHBondContact O-CD1 3.5Å; T119-L123 VanDerWaalsContact O-CG 3.29Å; T119-L123 WeakPolarHBondContact O-CG 3.46Å; T119-L123 PolarHBondContact O-N 3.3Å; T119-L123 VanDerWaalsContact O-N 3.17Å; I120-L123 PolarHBondContact O-N 3.38Å; V121-L123 VanDerWaalsContact C-N 3.34Å; V121-L123 PolarHBondContact O-N 3.21Å; L123-S127 PolarHBondContact O-N 3.13Å; L123-L230 HydrophobicContact CD1-CD2 3.84Å; L123-V242 HydrophobicContact CD1-CB 4.35Å; L123-V242 HydrophobicContact CD1-CG1 3.86Å; L123-V242 HydrophobicContact CD1-CG2 4.3Å; L123-V242 HydrophobicContact CD2-CB 4.43Å; L123-V242 HydrophobicContact CD2-CG1 4Å; L123-Y244 HydrophobicContact CD2-CE1 4.27Å |
| 124 | L | 79.1 | Confident | 75 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.016 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.6 | -43.2 | 175.5 | -65.1 | 170.6 | 0 | 0 | 0 | 110.9 | I120 V121 S127 N128 P186 L189 L190 V204 | I120-L124 HydrophobicContact CG2-CD1 4.04Å; I120-L124 HydrophobicContact CG2-CG 4.44Å; I120-L124 VanDerWaalsContact O-CG 3.31Å; I120-L124 WeakPolarHBondContact O-CG 3.22Å; I120-L124 PolarHBondContact O-N 3.41Å; V121-L124 PolarHBondContact O-N 2.91Å; L124-S127 PolarHBondContact O-N 3.03Å; L124-S127 PolarHBondContact O-OG 3.34Å; L124-N128 PolarHBondContact O-N 2.87Å; L124-P186 HydrophobicContact CD2-CB 3.85Å; L124-P186 VanDerWaalsContact CD2-O 3.25Å; L124-P186 WeakPolarHBondContact CD2-O 3.33Å; L124-L189 HydrophobicContact CD2-CB 4.36Å; L124-L189 HydrophobicContact CD2-CD1 4.36Å; L124-L190 HydrophobicContact CB-CD1 3.59Å; L124-L190 HydrophobicContact CB-CD2 4.28Å; L124-L190 HydrophobicContact CB-CG 3.79Å; L124-L190 HydrophobicContact CD1-CD2 4.32Å; L124-L190 HydrophobicContact CD1-CG 4.28Å; L124-V204 HydrophobicContact CD1-CG1 3.79Å |
| 125 | Q | 78.9 | Confident | 76.1 | Confident | 100 Ų | 100 | 43.7 Ų | 43.7 | 47% | 0.467 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.7 | -46 | 173.2 | -178.9 | -179.9 | -22.8 | 0 | 0 | 111.7 | V121 S127 N128 E129 | V121-Q125 WeakPolarHBondContact O-CB 3.38Å; V121-Q125 PolarHBondContact O-N 3.02Å; Q125-S127 PolarHBondContact O-N 3.12Å; Q125-N128 WeakPolarHBondContact O-CA 3.36Å; Q125-N128 VanDerWaalsContact O-CB 3.3Å; Q125-N128 WeakPolarHBondContact O-CB 3.49Å; Q125-N128 PolarHBondContact O-N 3.31Å; Q125-E129 PolarHBondContact NE2-OE1 3.24Å; Q125-E129 PolarHBondContact O-N 3.05Å |
| 126 | Q | 76.8 | Confident | 77.1 | Confident | 10 Ų | 10 | 46.7 Ų | 46.7 | 5% | 0.047 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58 | -35.6 | 174.6 | -173.7 | -171.9 | 8.7 | 0 | 0 | 112 | S104 H122 I130 Y850 | S104-Q126 PolarHBondContact OG-NE2 2.72Å; S104-Q126 PolarHBondContact OG-OE1 3.36Å; H122-Q126 WeakPolarHBondContact O-CB 3.49Å; H122-Q126 PolarHBondContact O-N 2.91Å; Q126-I130 WeakPolarHBondContact O-CG1 3.27Å; Q126-Y850 VanDerWaalsContact NE2-CE2 3.33Å |
| 127 | S | 82 | Confident | 78 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -73.9 | -26.3 | 173.1 | 72.1 | 0 | 0 | 0 | 0 | 113.5 | L123 L124 Q125 V131 S187 Y244 | L123-S127 PolarHBondContact O-N 3.13Å; L124-S127 PolarHBondContact O-N 3.03Å; L124-S127 PolarHBondContact O-OG 3.34Å; Q125-S127 PolarHBondContact O-N 3.12Å; S127-V131 WeakPolarHBondContact O-CG2 3.39Å; S127-V131 PolarHBondContact O-N 3.37Å; S127-S187 WeakPolarHBondContact OG-CA 3.29Å; S127-S187 WeakPolarHBondContact OG-CB 3.27Å; S127-S187 PolarHBondContact OG-N 3.02Å; S127-Y244 PolarHBondContact N-OH 3.06Å |
| 128 | N | 82.8 | Confident | 78.8 | Confident | 46 Ų | 46 | 46.4 Ų | 46.4 | 25% | 0.246 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -72.3 | -41.2 | 174.2 | -169.5 | 74.9 | 0 | 0 | 0 | 111.9 | L124 Q125 I130 V131 E132 | L124-N128 PolarHBondContact O-N 2.87Å; Q125-N128 WeakPolarHBondContact O-CA 3.36Å; Q125-N128 VanDerWaalsContact O-CB 3.3Å; Q125-N128 WeakPolarHBondContact O-CB 3.49Å; Q125-N128 PolarHBondContact O-N 3.31Å; N128-I130 VanDerWaalsContact C-N 3.27Å; N128-I130 PolarHBondContact O-N 2.91Å; N128-V131 WeakPolarHBondContact O-CB 3.22Å; N128-V131 PolarHBondContact O-N 2.92Å; N128-V131 VanDerWaalsContact O-N 3.09Å; N128-E132 PolarHBondContact ND2-OE1 2.94Å; N128-E132 PolarHBondContact O-N 3.25Å |
| 129 | E | 80.2 | Confident | 79.3 | Confident | 67 Ų | 67 | 40.4 Ų | 40.4 | 31% | 0.313 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -57.4 | -39.5 | 174.8 | -69.7 | 166.6 | -166.4 | 0 | 0 | 112.2 | Q125 L133 | Q125-E129 PolarHBondContact NE2-OE1 3.24Å; Q125-E129 PolarHBondContact O-N 3.05Å; E129-L133 WeakPolarHBondContact O-CG 3.44Å; E129-L133 PolarHBondContact O-N 3.41Å; E129-L133 VanDerWaalsContact O-N 3.08Å |
| 130 | I | 80.9 | Confident | 79.2 | Confident | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.3 | -37.9 | 176.3 | -58.7 | 167.3 | 0 | 0 | 0 | 111 | T102 Q126 N128 L133 V134 L246 L848 | T102-I130 HydrophobicContact CG2-CD1 3.75Å; Q126-I130 WeakPolarHBondContact O-CG1 3.27Å; N128-I130 VanDerWaalsContact C-N 3.27Å; N128-I130 PolarHBondContact O-N 2.91Å; I130-L133 PolarHBondContact O-N 2.89Å; I130-V134 WeakPolarHBondContact O-CG2 3.39Å; I130-V134 PolarHBondContact O-N 3.33Å; I130-L246 HydrophobicContact CG2-CD2 4.13Å; I130-L848 HydrophobicContact CD1-CD1 4.45Å |
| 131 | V | 84.4 | Confident | 78.6 | Confident | 13 Ų | 13 | 44.2 Ų | 44.2 | 8% | 0.079 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.3 | -45.4 | 173.7 | 159.4 | 0 | 0 | 0 | 0 | 111.4 | S127 N128 L133 V134 H135 M183 A185 L246 | S127-V131 WeakPolarHBondContact O-CG2 3.39Å; S127-V131 PolarHBondContact O-N 3.37Å; N128-V131 WeakPolarHBondContact O-CB 3.22Å; N128-V131 PolarHBondContact O-N 2.92Å; N128-V131 VanDerWaalsContact O-N 3.09Å; V131-L133 PolarHBondContact O-N 3.45Å; V131-V134 PolarHBondContact O-N 3.37Å; V131-H135 PolarHBondContact O-N 3.5Å; V131-H135 VanDerWaalsContact O-N 3.16Å; V131-M183 HydrophobicContact CB-CE 4.38Å; V131-M183 HydrophobicContact CG1-CE 3.68Å; V131-M183 HydrophobicContact CG2-CE 4.01Å; V131-M183 HydrophobicContact CG2-SD 3.94Å; V131-A185 HydrophobicContact CG2-CB 3.71Å; V131-L246 HydrophobicContact CG2-CD1 3.76Å; V131-L246 HydrophobicContact CG2-CD2 4.39Å |
| 132 | E | 84.2 | Confident | 78.1 | Confident | 88 Ų | 88 | 46.5 Ų | 46.5 | 41% | 0.411 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.8 | -40.7 | 177 | -74 | 177.1 | -165.1 | 0 | 0 | 111.9 | N128 V134 H135 Q136 | N128-E132 PolarHBondContact ND2-OE1 2.94Å; N128-E132 PolarHBondContact O-N 3.25Å; E132-V134 VanDerWaalsContact C-N 3.33Å; E132-V134 PolarHBondContact O-N 2.91Å; E132-H135 PolarHBondContact O-N 2.85Å; E132-Q136 VanDerWaalsContact O-CB 3.27Å; E132-Q136 WeakPolarHBondContact O-CB 3.45Å; E132-Q136 WeakPolarHBondContact O-CG 3.45Å; E132-Q136 PolarHBondContact O-N 3.48Å |
| 133 | L | 83.2 | Confident | 77.3 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.1 | -35.2 | 174 | -73.2 | 170.5 | 0 | 0 | 0 | 112.9 | E129 I130 V131 Q136 F137 Y264 L265 M269 | E129-L133 WeakPolarHBondContact O-CG 3.44Å; E129-L133 PolarHBondContact O-N 3.41Å; E129-L133 VanDerWaalsContact O-N 3.08Å; I130-L133 PolarHBondContact O-N 2.89Å; V131-L133 PolarHBondContact O-N 3.45Å; L133-Q136 PolarHBondContact O-N 2.91Å; L133-F137 PolarHBondContact O-N 3.3Å; L133-Y264 HydrophobicContact CB-CE1 4.33Å; L133-Y264 HydrophobicContact CD2-CE1 4.07Å; L133-Y264 WeakPolarHBondContact O-CE1 3.39Å; L133-L265 HydrophobicContact CB-CD2 3.97Å; L133-L265 HydrophobicContact CD1-CD2 4.49Å; L133-M269 HydrophobicContact CD1-CG 4.39Å; L133-M269 HydrophobicContact CD1-SD 3.53Å; L133-M269 VanDerWaalsContact CD1-SD 3.53Å |
| 134 | V | 83.9 | Confident | 76.5 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.8 | -39.4 | 176.9 | 171.1 | 0 | 0 | 0 | 0 | 111.8 | I100 I130 V131 E132 F151 L246 L248 | I100-V134 HydrophobicContact CD1-CG2 4.34Å; I130-V134 WeakPolarHBondContact O-CG2 3.39Å; I130-V134 PolarHBondContact O-N 3.33Å; V131-V134 PolarHBondContact O-N 3.37Å; E132-V134 VanDerWaalsContact C-N 3.33Å; E132-V134 PolarHBondContact O-N 2.91Å; V134-F151 HydrophobicContact CG1-CB 4.26Å; V134-F151 HydrophobicContact CG1-CD1 4.17Å; V134-F151 HydrophobicContact CG1-CD2 4.05Å; V134-F151 HydrophobicContact CG1-CE2 4.5Å; V134-F151 HydrophobicContact CG1-CG 3.89Å; V134-L246 HydrophobicContact CG2-CD2 4.35Å; V134-L248 HydrophobicContact CG1-CD1 4.2Å; V134-L248 HydrophobicContact CG1-CD2 4.06Å; V134-L248 HydrophobicContact CG2-CD1 4.3Å |
| 135 | H | 84 | Confident | 75.6 | Confident | 81 Ų | 81 | 58.4 Ų | 58.4 | 38% | 0.375 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -77 | -26.8 | 174.1 | -74.9 | -75 | 0 | 0 | 0 | 113.6 | V131 E132 F137 F151 D152 M183 | V131-H135 PolarHBondContact O-N 3.5Å; V131-H135 VanDerWaalsContact O-N 3.16Å; E132-H135 PolarHBondContact O-N 2.85Å; H135-F137 VanDerWaalsContact C-N 3.29Å; H135-F151 AromaticContact CE1-CD1 3.9Å; H135-D152 IonicContact CE1-OD1 3.52Å; H135-D152 PolarHBondContact CE1-OD1 2.69Å; H135-D152 VanDerWaalsContact CE1-OD1 3.28Å; H135-D152 IonicContact ND1-OD1 2.7Å; H135-D152 PolarHBondContact ND1-OD1 3Å; H135-D152 VanDerWaalsContact ND1-OD1 3.17Å; H135-D152 IonicContact ND1-OD2 2.75Å; H135-M183 VanDerWaalsContact NE2-CE 3.34Å; H135-M183 WeakPolarHBondContact NE2-CE 3.4Å |
| 136 | Q | 83.3 | Confident | 74.6 | Confident | 104 Ų | 104 | 59.3 Ų | 59.3 | 49% | 0.486 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -75.8 | -16.7 | 172.6 | -73.3 | 167.6 | 23.8 | 0 | 0 | 112.9 | E132 L133 | E132-Q136 VanDerWaalsContact O-CB 3.27Å; E132-Q136 WeakPolarHBondContact O-CB 3.45Å; E132-Q136 WeakPolarHBondContact O-CG 3.45Å; E132-Q136 PolarHBondContact O-N 3.48Å; L133-Q136 PolarHBondContact O-N 2.91Å |
| 137 | F | 83 | Confident | 74 | Confident | 9 Ų | 9 | 61.3 Ų | 61.3 | 4% | 0.039 | 35% | 0.349 | C | S | . | . | trans | -68.7 | 134.5 | -179.1 | 176.1 | -105.3 | 0 | 0 | 0 | 112.5 | L133 H135 F257 E260 L261 Y264 | L133-F137 PolarHBondContact O-N 3.3Å; H135-F137 VanDerWaalsContact C-N 3.29Å; F137-F257 HydrophobicContact CD1-CE1 4.4Å; F137-F257 AromaticContact CD1-CE2 3.93Å; F137-F257 HydrophobicContact CD1-CE2 3.93Å; F137-F257 AromaticContact CD1-CZ 3.76Å; F137-F257 HydrophobicContact CD1-CZ 3.76Å; F137-F257 AromaticContact CE1-CD2 3.88Å; F137-F257 HydrophobicContact CE1-CD2 3.88Å; F137-F257 HydrophobicContact CE1-CE1 4.21Å; F137-F257 AromaticContact CE1-CE2 3.56Å; F137-F257 HydrophobicContact CE1-CE2 3.56Å; F137-F257 HydrophobicContact CE1-CG 4.34Å; F137-F257 AromaticContact CE1-CZ 3.73Å; F137-F257 HydrophobicContact CE1-CZ 3.73Å; F137-E260 HydrophobicContact CE2-CB 4.1Å; F137-E260 HydrophobicContact CZ-CB 3.61Å; F137-L261 HydrophobicContact CB-CD1 3.76Å; F137-L261 HydrophobicContact CD1-CB 3.89Å; F137-L261 HydrophobicContact CD1-CD1 3.67Å; F137-L261 HydrophobicContact CD1-CG 4.3Å; F137-L261 HydrophobicContact CD2-CD1 4.27Å; F137-L261 HydrophobicContact CE1-CB 3.73Å; F137-L261 HydrophobicContact CE1-CD1 4.4Å; F137-L261 HydrophobicContact CE2-CB 4.48Å; F137-L261 HydrophobicContact CG-CB 4.33Å; F137-L261 HydrophobicContact CG-CD1 3.59Å; F137-L261 HydrophobicContact CZ-CB 4.06Å; F137-L261 VanDerWaalsContact CZ-N 3.32Å; F137-Y264 HydrophobicContact CB-CD1 4.04Å; F137-Y264 HydrophobicContact CB-CE1 4.07Å; F137-Y264 AromaticContact CD2-CD1 3.63Å; F137-Y264 HydrophobicContact CD2-CD1 3.63Å; F137-Y264 HydrophobicContact CD2-CD2 4.26Å; F137-Y264 HydrophobicContact CD2-CE1 4.31Å; F137-Y264 AromaticContact CD2-CG 3.6Å; F137-Y264 HydrophobicContact CD2-CG 3.6Å; F137-Y264 HydrophobicContact CE2-CG 4.22Å; F137-Y264 HydrophobicContact CG-CD1 4.23Å | ||
| 138 | K | 82.2 | Confident | 73.4 | Confident | 131 Ų | 131 | 62 Ų | 62 | 57% | 0.57 | 36% | 0.357 | S | S | * | . | B | Isolated β-bridge | trans | -138.4 | 115.1 | 179 | -172.7 | 170.8 | -178.2 | 174.4 | 0 | 110.2 | G147 | K138-G147 WeakPolarHBondContact CE-O 3.47Å; K138-G147 PolarHBondContact NZ-O 3.15Å |
| 139 | S | 77.7 | Confident | 73.1 | Confident | 11 Ų | 11 | 61 Ų | 61 | 8% | 0.077 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 149.2 | -178 | -177.1 | 0 | 0 | 0 | 0 | 112 | G148 Q149 E260 | S139-G148 WeakPolarHBondContact O-CA 3.47Å; S139-Q149 WeakPolarHBondContact CB-O 3.44Å; S139-Q149 PolarHBondContact N-O 3.16Å; S139-E260 WeakPolarHBondContact CA-OE2 3.37Å; S139-E260 VanDerWaalsContact CB-OE2 3.27Å; S139-E260 WeakPolarHBondContact CB-OE2 3.42Å; S139-E260 PolarHBondContact OG-OE2 3.41Å |
| 140 | S | 65.1 | Low | 73.2 | Confident | 80 Ų | 80 | 59.8 Ų | 59.8 | 56% | 0.559 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 135.9 | 174.4 | 83.8 | 0 | 0 | 0 | 0 | 110.1 | D142 E260 | S140-D142 PolarHBondContact O-N 3.4Å; S140-E260 WeakPolarHBondContact CB-OE1 3.21Å; S140-E260 PolarHBondContact N-OE2 3.35Å; S140-E260 PolarHBondContact OG-OE1 3.44Å |
| 141 | G | 59.5 | Low | 73.3 | Confident | 43 Ų | 43 | 59.6 Ų | 59.6 | 44% | 0.443 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -78.4 | 119.4 | -167.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | T145 | G141-T145 WeakPolarHBondContact CA-O 3.14Š|
| 142 | D | 60.4 | Low | 73.1 | Confident | 89 Ų | 89 | 62.3 Ų | 62.3 | 48% | 0.476 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 158.4 | 158.5 | -75 | -45.6 | 0 | 0 | 0 | 110.7 | S140 S144 T145 | S140-D142 PolarHBondContact O-N 3.4Å; D142-S144 PolarHBondContact O-N 3.2Å; D142-T145 CarbonylContact O-C 3.6Å; D142-T145 VanDerWaalsContact O-C 3.24Å; D142-T145 PolarHBondContact O-N 3.27Å |
| 143 | E | 56.8 | Low | 72.9 | Confident | 204 Ų | 204 | 62.2 Ų | 62.2 | 95% | 0.953 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -25.1 | -178.4 | -63.7 | -173.4 | 147 | 0 | 0 | 114.1 | ||
| 144 | S | 58.2 | Low | 72.8 | Confident | 100 Ų | 100 | 62.2 Ų | 62.2 | 70% | 0.699 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -19.7 | 177.4 | 55.4 | 0 | 0 | 0 | 0 | 114.4 | D142 | D142-S144 PolarHBondContact O-N 3.2Š|
| 145 | T | 59.8 | Low | 72.8 | Confident | 45 Ų | 45 | 62.2 Ų | 62.2 | 28% | 0.276 | 36% | 0.363 | S | S | . | . | trans | -138.9 | 74.5 | 178.2 | 54.5 | 0 | 0 | 0 | 0 | 110.4 | G141 D142 G147 G148 Q149 | G141-T145 WeakPolarHBondContact CA-O 3.14Å; D142-T145 CarbonylContact O-C 3.6Å; D142-T145 VanDerWaalsContact O-C 3.24Å; D142-T145 PolarHBondContact O-N 3.27Å; T145-G147 PolarHBondContact O-N 3.09Å; T145-G148 PolarHBondContact O-N 3.45Å; T145-Q149 HydrophobicContact CG2-CG 4.4Å; T145-Q149 PolarHBondContact OG1-NE2 2.8Å | ||
| 146 | P | 59.1 | Low | 72.4 | Confident | 119 Ų | 119 | 60.6 Ų | 60.6 | 77% | 0.773 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -13 | -177.8 | 27.2 | -36.5 | 0 | 0 | 0 | 113.6 | G148 | P146-G148 VanDerWaalsContact C-N 3.27Å; P146-G148 PolarHBondContact O-N 2.81Å |
| 147 | G | 63 | Low | 72.1 | Confident | 51 Ų | 51 | 60.8 Ų | 60.8 | 53% | 0.526 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -7.8 | 172 | 0 | 0 | 0 | 0 | 0 | 114.9 | K138 T145 | K138-G147 WeakPolarHBondContact CE-O 3.47Å; K138-G147 PolarHBondContact NZ-O 3.15Å; T145-G147 PolarHBondContact O-N 3.09Å |
| 148 | G | 70.4 | Confident | 71.4 | Confident | 16 Ų | 16 | 61.1 Ų | 61.1 | 17% | 0.165 | 36% | 0.359 | C | S | . | . | trans | 76.4 | 170.7 | -166.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S139 T145 P146 | S139-G148 WeakPolarHBondContact O-CA 3.47Å; T145-G148 PolarHBondContact O-N 3.45Å; P146-G148 VanDerWaalsContact C-N 3.27Å; P146-G148 PolarHBondContact O-N 2.81Å | ||
| 149 | Q | 76 | Confident | 70.5 | Confident | 23 Ų | 23 | 63 Ų | 63 | 11% | 0.107 | 37% | 0.37 | C | S | . | . | trans | -121.2 | 138 | 175.5 | -62.2 | -176.8 | 22.5 | 0 | 0 | 110.3 | S139 T145 I154 F257 | S139-Q149 WeakPolarHBondContact CB-O 3.44Å; S139-Q149 PolarHBondContact N-O 3.16Å; T145-Q149 HydrophobicContact CG2-CG 4.4Å; T145-Q149 PolarHBondContact OG1-NE2 2.8Å; Q149-I154 HydrophobicContact CB-CD1 4.17Å; Q149-F257 HydrophobicContact CB-CD2 4.5Å | ||
| 150 | T | 83.1 | Confident | 69 | Low | 42 Ų | 42 | 67.8 Ų | 67.8 | 26% | 0.258 | 39% | 0.394 | S | S | . | . | B | Isolated β-bridge | trans | -97.7 | 172.8 | 177.6 | 68.2 | 0 | 0 | 0 | 0 | 110.8 | D152 D153 | T150-D152 VanDerWaalsContact C-N 3.25Å; T150-D152 PolarHBondContact O-N 2.98Å; T150-D152 PolarHBondContact OG1-N 3.41Å; T150-D153 WeakPolarHBondContact CB-OD2 3.48Å; T150-D153 PolarHBondContact N-OD2 2.7Å; T150-D153 PolarHBondContact OG1-OD2 2.97Å |
| 151 | F | 82.7 | Confident | 68.3 | Low | 1 Ų | 1 | 67.7 Ų | 67.7 | 0% | 0.004 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -58.3 | -40.2 | 170.1 | 175.6 | -113 | 0 | 0 | 0 | 112 | V134 H135 D153 I154 C155 C181 L248 F250 | V134-F151 HydrophobicContact CG1-CB 4.26Å; V134-F151 HydrophobicContact CG1-CD1 4.17Å; V134-F151 HydrophobicContact CG1-CD2 4.05Å; V134-F151 HydrophobicContact CG1-CE2 4.5Å; V134-F151 HydrophobicContact CG1-CG 3.89Å; H135-F151 AromaticContact CE1-CD1 3.9Å; F151-D153 VanDerWaalsContact C-N 3.25Å; F151-D153 PolarHBondContact O-N 3.24Å; F151-I154 PolarHBondContact O-N 3.05Å; F151-I154 VanDerWaalsContact O-N 3.17Å; F151-C155 HydrophobicContact CD1-CB 4.45Å; F151-C155 HydrophobicContact CE1-CB 4.04Å; F151-C155 HydrophobicContact CE2-CB 4.09Å; F151-C155 HydrophobicContact CZ-CB 3.83Å; F151-C155 WeakPolarHBondContact O-CB 3.43Å; F151-C155 PolarHBondContact O-N 3.47Å; F151-C181 HydrophobicContact CD1-CB 4.38Å; F151-C181 HydrophobicContact CE1-CB 3.59Å; F151-C181 HydrophobicContact CZ-CB 4.18Å; F151-L248 HydrophobicContact CE1-CD2 4.5Å; F151-L248 HydrophobicContact CE2-CB 4.27Å; F151-L248 HydrophobicContact CE2-CD2 3.96Å; F151-L248 HydrophobicContact CZ-CD2 3.78Å; F151-F250 HydrophobicContact CD2-CD1 4.48Å; F151-F250 AromaticContact CD2-CE1 3.63Å; F151-F250 HydrophobicContact CD2-CE1 3.63Å; F151-F250 AromaticContact CD2-CZ 3.93Å; F151-F250 HydrophobicContact CD2-CZ 3.93Å; F151-F250 HydrophobicContact CE2-CD1 4.31Å; F151-F250 AromaticContact CE2-CE1 3.66Å; F151-F250 HydrophobicContact CE2-CE1 3.66Å; F151-F250 HydrophobicContact CE2-CE2 4.39Å; F151-F250 AromaticContact CE2-CZ 3.7Å; F151-F250 HydrophobicContact CE2-CZ 3.7Å |
| 152 | D | 80.7 | Confident | 67.5 | Low | 70 Ų | 70 | 71.1 Ų | 71.1 | 37% | 0.374 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -71.6 | -18.8 | -171.5 | -56.5 | -30 | 0 | 0 | 0 | 113.3 | H135 T150 Q157 C181 | H135-D152 IonicContact CE1-OD1 3.52Å; H135-D152 PolarHBondContact CE1-OD1 2.69Å; H135-D152 VanDerWaalsContact CE1-OD1 3.28Å; H135-D152 IonicContact ND1-OD1 2.7Å; H135-D152 PolarHBondContact ND1-OD1 3Å; H135-D152 VanDerWaalsContact ND1-OD1 3.17Å; H135-D152 IonicContact ND1-OD2 2.75Å; T150-D152 VanDerWaalsContact C-N 3.25Å; T150-D152 PolarHBondContact O-N 2.98Å; T150-D152 PolarHBondContact OG1-N 3.41Å; D152-Q157 PolarHBondContact O-NE2 3.24Å; D152-C181 PolarHBondContact OD1-SG 3.44Å; D152-C181 VanDerWaalsContact OD1-SG 3.33Å |
| 153 | D | 79.8 | Confident | 66.7 | Low | 86 Ų | 86 | 71.9 Ų | 71.9 | 46% | 0.46 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -76.4 | -25.7 | 174.4 | -62 | -61.7 | 0 | 0 | 0 | 113.6 | T150 F151 | T150-D153 WeakPolarHBondContact CB-OD2 3.48Å; T150-D153 PolarHBondContact N-OD2 2.7Å; T150-D153 PolarHBondContact OG1-OD2 2.97Å; F151-D153 VanDerWaalsContact C-N 3.25Å; F151-D153 PolarHBondContact O-N 3.24Å |
| 154 | I | 79.2 | Confident | 65.9 | Low | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.005 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -117.1 | -15.8 | -169.6 | -43.8 | 179.3 | 0 | 0 | 0 | 111.8 | Q149 F151 F250 R251 E252 K254 F257 | Q149-I154 HydrophobicContact CB-CD1 4.17Å; F151-I154 PolarHBondContact O-N 3.05Å; F151-I154 VanDerWaalsContact O-N 3.17Å; I154-F250 HydrophobicContact CB-CD1 4.25Å; I154-F250 HydrophobicContact CG2-CD1 4.03Å; I154-F250 CarbonylContact O-C 3.55Å; I154-F250 WeakPolarHBondContact O-CA 3.47Å; I154-R251 PolarHBondContact O-N 3.32Å; I154-E252 HydrophobicContact CG2-CB 4.2Å; I154-K254 HydrophobicContact CD1-CD 4.23Å; I154-F257 HydrophobicContact CD1-CB 4.24Å; I154-F257 HydrophobicContact CD1-CD1 4.17Å; I154-F257 HydrophobicContact CD1-CD2 3.34Å; I154-F257 HydrophobicContact CD1-CE1 4.41Å; I154-F257 HydrophobicContact CD1-CE2 3.61Å; I154-F257 HydrophobicContact CD1-CG 3.66Å; I154-F257 HydrophobicContact CD1-CZ 4.16Å |
| 155 | C | 83.9 | Confident | 65.1 | Low | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.007 | 40% | 0.398 | C | S | . | . | B | Isolated β-bridge | trans | -60.9 | 158.1 | -179.2 | 79 | 0 | 0 | 0 | 0 | 113.1 | F151 Q157 C181 | F151-C155 HydrophobicContact CD1-CB 4.45Å; F151-C155 HydrophobicContact CE1-CB 4.04Å; F151-C155 HydrophobicContact CE2-CB 4.09Å; F151-C155 HydrophobicContact CZ-CB 3.83Å; F151-C155 WeakPolarHBondContact O-CB 3.43Å; F151-C155 PolarHBondContact O-N 3.47Å; C155-Q157 PolarHBondContact O-N 3Å; C155-C181 HydrophobicContact CB-CB 3.5Å; C155-C181 VanDerWaalsContact CB-CB 3.5Å; C155-C181 WeakPolarHBondContact CB-SG 3.27Å; C155-C181 WeakPolarHBondContact SG-CA 3.31Å; C155-C181 WeakPolarHBondContact SG-CB 3.48Å; C155-C181 CovalentContact SG-SG 2.03Å; C155-C181 PolarHBondContact SG-SG 3.45Å |
| 156 | F | 77.6 | Confident | 64.4 | Low | 46 Ų | 46 | 75 Ų | 75 | 20% | 0.202 | 42% | 0.422 | C | S | . | . | trans | -77.3 | 112.9 | 165.8 | -172.1 | -80.6 | 0 | 0 | 0 | 108.4 | L94 L182 V249 L833 | L94-F156 WeakPolarHBondContact O-CE2 3.33Å; F156-L182 HydrophobicContact CB-CB 4.39Å; F156-L182 HydrophobicContact CD1-CB 4.22Å; F156-L182 HydrophobicContact CD1-CD2 4.03Å; F156-L182 WeakPolarHBondContact O-CB 3.4Å; F156-L182 PolarHBondContact O-N 3.02Å; F156-V249 HydrophobicContact CB-CB 4.07Å; F156-V249 HydrophobicContact CB-CG1 3.74Å; F156-V249 HydrophobicContact CG-CG1 4.23Å; F156-V249 PolarHBondContact N-O 3.49Å; F156-L833 HydrophobicContact CE1-CD2 4.39Å; F156-L833 HydrophobicContact CZ-CD2 4.01Å | ||
| 157 | Q | 75.1 | Confident | 63.7 | Low | 109 Ų | 109 | 76.5 Ų | 76.5 | 51% | 0.509 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 138.7 | -179.5 | -66.4 | -179.8 | -4.5 | 0 | 0 | 110.7 | D152 C155 G180 | D152-Q157 PolarHBondContact O-NE2 3.24Å; C155-Q157 PolarHBondContact O-N 3Å; Q157-G180 WeakPolarHBondContact CA-O 3.48Å |
| 158 | V | 70 | Confident | 62.5 | Low | 16 Ų | 16 | 82.2 Ų | 82.2 | 10% | 0.097 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 116.5 | 174.9 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | G180 L182 Y831 | V158-G180 PolarHBondContact N-O 2.94Å; V158-L182 HydrophobicContact CG2-CB 3.97Å; V158-L182 HydrophobicContact CG2-CD1 4.27Å; V158-Y831 HydrophobicContact CG1-CD1 4.09Å; V158-Y831 HydrophobicContact CG1-CE1 3.96Å; V158-Y831 HydrophobicContact CG2-CD1 4.27Å; V158-Y831 HydrophobicContact CG2-CE1 3.96Å |
| 159 | E | 61.5 | Low | 61.5 | Low | 169 Ų | 169 | 83.4 Ų | 83.4 | 79% | 0.79 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -91.4 | 168.7 | 165.2 | -65.6 | -175.3 | 171.3 | 0 | 0 | 110.4 | ||
| 160 | D | 48.1 | Very low | 60.2 | Low | 112 Ų | 112 | 89.5 Ų | 89.5 | 60% | 0.599 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 147.7 | -156.8 | -143.5 | -23 | 0 | 0 | 0 | 115 | T162 F179 | D160-T162 PolarHBondContact O-N 3.28Å; D160-F179 HydrophobicContact CB-CE1 4.06Å; D160-F179 HydrophobicContact CB-CZ 4.45Å; D160-F179 WeakPolarHBondContact OD2-CZ 3.38Å |
| 161 | R | 49.7 | Very low | 58.7 | Low | 79 Ų | 79 | 90.8 Ų | 90.8 | 30% | 0.298 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 119.3 | -175.1 | -85.2 | -178.3 | 167.2 | 133.2 | -8.6 | 110.8 | V163 K173 | R161-V163 HydrophobicContact CB-CG2 3.81Å; R161-V163 PolarHBondContact O-N 3.23Å; R161-K173 PolarHBondContact NH1-O 2.93Å; R161-K173 VanDerWaalsContact NH1-O 3.12Å |
| 162 | T | 43.3 | Very low | 57.3 | Low | 115 Ų | 115 | 93.6 Ų | 93.6 | 71% | 0.706 | 49% | 0.494 | S | S | * | . | trans | -72.1 | 75.1 | 162 | 40.6 | 0 | 0 | 0 | 0 | 110.3 | D160 S164 | D160-T162 PolarHBondContact O-N 3.28Å; T162-S164 PolarHBondContact O-N 3.28Å | ||
| 163 | V | 42.6 | Very low | 55.9 | Low | 104 Ų | 104 | 95 Ų | 95 | 63% | 0.63 | 50% | 0.496 | S | S | * | . | trans | -64.7 | 118 | -176.7 | 178.8 | 0 | 0 | 0 | 0 | 110.9 | R161 | R161-V163 HydrophobicContact CB-CG2 3.81Å; R161-V163 PolarHBondContact O-N 3.23Å | ||
| 164 | S | 40 | Very low | 54.9 | Low | 98 Ų | 98 | 97 Ų | 97 | 69% | 0.685 | 51% | 0.507 | S | S | * | . | trans | -93.9 | 141 | 158.6 | 40.5 | 0 | 0 | 0 | 0 | 109.4 | T162 V166 | T162-S164 PolarHBondContact O-N 3.28Å; S164-V166 VanDerWaalsContact C-N 3.28Å; S164-V166 PolarHBondContact O-N 2.92Å | ||
| 165 | E | 41.7 | Very low | 54.1 | Low | 190 Ų | 190 | 99 Ų | 99 | 89% | 0.888 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -81.4 | 34 | -151.6 | -55.1 | 175.2 | 113.6 | 0 | 0 | 115.9 | ||
| 166 | V | 44.6 | Very low | 53.1 | Low | 127 Ų | 127 | 99.3 Ų | 99.3 | 77% | 0.77 | 52% | 0.521 | S | S | * | . | trans | -119.3 | 1.3 | -156.5 | -160.1 | 0 | 0 | 0 | 0 | 116.2 | S164 | S164-V166 VanDerWaalsContact C-N 3.28Å; S164-V166 PolarHBondContact O-N 2.92Å | ||
| 167 | E | 44.1 | Very low | 52.5 | Low | 150 Ų | 150 | 98.2 Ų | 98.2 | 70% | 0.701 | 52% | 0.518 | S | S | * | . | trans | -126.2 | 104.3 | 175.7 | -71.6 | -173.6 | 179.6 | 0 | 0 | 113.4 | S169 | E167-S169 PolarHBondContact O-N 3.5Š| ||
| 168 | N | 37.6 | Very low | 51.7 | Low | 171 Ų | 171 | 95.2 Ų | 95.2 | 91% | 0.914 | 51% | 0.507 | S | S | * | . | trans | -76.7 | 75.2 | -177.9 | -76.6 | -22.4 | 0 | 0 | 0 | 113.1 | ||||
| 169 | S | 50 | Low | 51.5 | Low | 42 Ų | 42 | 100.9 Ų | 100.9 | 29% | 0.294 | 53% | 0.531 | S | S | . | . | trans | -151.9 | 102.5 | 165.6 | -166.5 | 0 | 0 | 0 | 0 | 113 | E167 T171 I172 | E167-S169 PolarHBondContact O-N 3.5Å; S169-T171 VanDerWaalsContact C-N 3.26Å; S169-T171 PolarHBondContact O-N 3.33Å; S169-T171 PolarHBondContact OG-OG1 2.87Å; S169-T171 VanDerWaalsContact OG-OG1 3.11Å; S169-I172 PolarHBondContact O-N 3.3Å | ||
| 170 | E | 49.8 | Very low | 52.1 | Low | 151 Ų | 151 | 94.5 Ų | 94.5 | 71% | 0.706 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -27.3 | -179.9 | -56.8 | -163.8 | 121.9 | 0 | 0 | 112.9 | I172 K173 | E170-I172 PolarHBondContact O-N 3.23Å; E170-K173 WeakPolarHBondContact O-CB 3.36Å; E170-K173 PolarHBondContact O-N 3.49Å |
| 171 | T | 50.3 | Low | 53.5 | Low | 69 Ų | 69 | 90.1 Ų | 90.1 | 42% | 0.423 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -31 | 177 | 49.2 | 0 | 0 | 0 | 0 | 113.2 | S169 K173 N174 L210 | S169-T171 VanDerWaalsContact C-N 3.26Å; S169-T171 PolarHBondContact O-N 3.33Å; S169-T171 PolarHBondContact OG-OG1 2.87Å; S169-T171 VanDerWaalsContact OG-OG1 3.11Å; T171-K173 VanDerWaalsContact C-N 3.26Å; T171-K173 PolarHBondContact O-N 2.91Å; T171-N174 PolarHBondContact O-N 3.42Å; T171-L210 HydrophobicContact CG2-CD2 3.99Å |
| 172 | I | 53.3 | Low | 54.9 | Low | 60 Ų | 60 | 86.5 Ų | 86.5 | 31% | 0.308 | 48% | 0.475 | S | S | . | . | G | 310 helix | trans | -70 | -25.7 | 177.7 | -67.8 | 179.1 | 0 | 0 | 0 | 111.3 | S169 E170 N174 L216 | S169-I172 PolarHBondContact O-N 3.3Å; E170-I172 PolarHBondContact O-N 3.23Å; I172-N174 PolarHBondContact O-N 2.77Å; I172-L216 HydrophobicContact CG2-CD1 3.95Å |
| 173 | K | 52.1 | Low | 56.9 | Low | 100 Ų | 100 | 81.4 Ų | 81.4 | 44% | 0.435 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -61 | -30.6 | 179.3 | -64.3 | 178.9 | 180 | 171 | 0 | 112.7 | R161 E170 T171 | R161-K173 PolarHBondContact NH1-O 2.93Å; R161-K173 VanDerWaalsContact NH1-O 3.12Å; E170-K173 WeakPolarHBondContact O-CB 3.36Å; E170-K173 PolarHBondContact O-N 3.49Å; T171-K173 VanDerWaalsContact C-N 3.26Å; T171-K173 PolarHBondContact O-N 2.91Å |
| 174 | N | 58 | Low | 58.9 | Low | 128 Ų | 128 | 76.6 Ų | 76.6 | 68% | 0.684 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -96.7 | -10.5 | -165.2 | -63.5 | -9.1 | 0 | 0 | 0 | 115.8 | T171 I172 | T171-N174 PolarHBondContact O-N 3.42Å; I172-N174 PolarHBondContact O-N 2.77Å |
| 175 | V | 61.8 | Low | 61.1 | Low | 43 Ų | 43 | 71.9 Ų | 71.9 | 26% | 0.261 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -20.3 | -173.9 | -174.4 | 0 | 0 | 0 | 0 | 113 | L189 L216 L220 | V175-L189 HydrophobicContact CG1-CD2 4.29Å; V175-L216 HydrophobicContact CG1-CD2 4.47Å; V175-L220 HydrophobicContact CG1-CD1 3.88Å |
| 176 | L | 64.4 | Low | 63 | Low | 6 Ų | 6 | 62.9 Ų | 62.9 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -99.6 | 146.3 | 176.1 | -72.8 | 167.4 | 0 | 0 | 0 | 110.1 | T178 L184 L216 L219 L220 | L176-T178 PolarHBondContact O-N 3.15Å; L176-L184 HydrophobicContact CD2-CD2 3.64Å; L176-L216 HydrophobicContact CD1-CD1 4.28Å; L176-L216 HydrophobicContact CG-CD1 4.5Å; L176-L219 HydrophobicContact CD2-CD2 4.24Å; L176-L220 HydrophobicContact CD2-CD2 4.41Å |
| 177 | P | 63.6 | Low | 64.7 | Low | 24 Ų | 24 | 56.9 Ų | 56.9 | 16% | 0.156 | 30% | 0.303 | C | S | . | . | trans | -61 | 123 | 176.5 | 24.3 | -32.6 | 0 | 0 | 0 | 110.6 | Y831 | P177-Y831 WeakPolarHBondContact CD-OH 3.08Å; P177-Y831 PolarHBondContact O-OH 2.79Å | ||
| 178 | T | 59.2 | Low | 66.4 | Low | 45 Ų | 45 | 51.9 Ų | 51.9 | 28% | 0.276 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -94.3 | -28.4 | 177.3 | 48 | 0 | 0 | 0 | 0 | 113.1 | L176 | L176-T178 PolarHBondContact O-N 3.15Š|
| 179 | F | 65.3 | Low | 68 | Low | 135 Ų | 135 | 44.1 Ų | 44.1 | 59% | 0.592 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -140.6 | 143.2 | 175.5 | -60.8 | -79.3 | 0 | 0 | 0 | 109.4 | D160 | D160-F179 HydrophobicContact CB-CE1 4.06Å; D160-F179 HydrophobicContact CB-CZ 4.45Å; D160-F179 WeakPolarHBondContact OD2-CZ 3.38Å |
| 180 | G | 73.8 | Confident | 68.9 | Low | 36 Ų | 36 | 45 Ų | 45 | 37% | 0.371 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 97.2 | -157.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q157 V158 | Q157-G180 WeakPolarHBondContact CA-O 3.48Å; V158-G180 PolarHBondContact N-O 2.94Å |
| 181 | C | 77.5 | Confident | 69.5 | Low | 20 Ų | 20 | 41.2 Ų | 41.2 | 14% | 0.135 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 137.4 | -171.3 | -63.8 | 0 | 0 | 0 | 0 | 114.6 | F151 D152 C155 M183 | F151-C181 HydrophobicContact CD1-CB 4.38Å; F151-C181 HydrophobicContact CE1-CB 3.59Å; F151-C181 HydrophobicContact CZ-CB 4.18Å; D152-C181 PolarHBondContact OD1-SG 3.44Å; D152-C181 VanDerWaalsContact OD1-SG 3.33Å; C155-C181 HydrophobicContact CB-CB 3.5Å; C155-C181 VanDerWaalsContact CB-CB 3.5Å; C155-C181 WeakPolarHBondContact CB-SG 3.27Å; C155-C181 WeakPolarHBondContact SG-CA 3.31Å; C155-C181 WeakPolarHBondContact SG-CB 3.48Å; C155-C181 CovalentContact SG-SG 2.03Å; C155-C181 PolarHBondContact SG-SG 3.45Å; C181-M183 PolarHBondContact O-N 3.37Å |
| 182 | L | 79.9 | Confident | 69.5 | Low | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | trans | -75.8 | 85.2 | 172.8 | -175.2 | 57 | 0 | 0 | 0 | 111.4 | F156 V158 V249 Y831 | F156-L182 HydrophobicContact CB-CB 4.39Å; F156-L182 HydrophobicContact CD1-CB 4.22Å; F156-L182 HydrophobicContact CD1-CD2 4.03Å; F156-L182 WeakPolarHBondContact O-CB 3.4Å; F156-L182 PolarHBondContact O-N 3.02Å; V158-L182 HydrophobicContact CG2-CB 3.97Å; V158-L182 HydrophobicContact CG2-CD1 4.27Å; L182-V249 HydrophobicContact CB-CB 4.2Å; L182-V249 HydrophobicContact CB-CG2 4.44Å; L182-V249 HydrophobicContact CD2-CB 4.11Å; L182-V249 HydrophobicContact CD2-CG1 4.35Å; L182-V249 HydrophobicContact CD2-CG2 3.89Å; L182-V249 HydrophobicContact CG-CB 4.13Å; L182-V249 HydrophobicContact CG-CG2 3.86Å; L182-V249 PolarHBondContact O-N 3.45Å; L182-V249 VanDerWaalsContact O-N 3.14Å; L182-Y831 HydrophobicContact CD1-CD2 4.27Å; L182-Y831 HydrophobicContact CD1-CE1 4.1Å; L182-Y831 HydrophobicContact CD1-CE2 3.67Å | ||
| 183 | M | 84.7 | Confident | 69.2 | Low | 8 Ų | 8 | 50.5 Ų | 50.5 | 4% | 0.039 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 151.3 | 166.4 | 172.9 | 167.3 | 61.6 | 0 | 0 | 109.9 | V131 H135 C181 F188 L246 T247 L248 | V131-M183 HydrophobicContact CB-CE 4.38Å; V131-M183 HydrophobicContact CG1-CE 3.68Å; V131-M183 HydrophobicContact CG2-CE 4.01Å; V131-M183 HydrophobicContact CG2-SD 3.94Å; H135-M183 VanDerWaalsContact NE2-CE 3.34Å; H135-M183 WeakPolarHBondContact NE2-CE 3.4Å; C181-M183 PolarHBondContact O-N 3.37Å; M183-F188 HydrophobicContact CE-CE1 4.35Å; M183-F188 HydrophobicContact CE-CZ 4.07Å; M183-F188 HydrophobicContact CG-CZ 4.32Å; M183-F188 WeakPolarHBondContact O-CE2 3.44Å; M183-L246 HydrophobicContact SD-CD2 4.17Å; M183-T247 CarbonylContact C-O 3.51Å; M183-T247 WeakPolarHBondContact CA-O 3.24Å; M183-L248 HydrophobicContact CB-CD2 4.1Å; M183-L248 HydrophobicContact CG-CD2 3.7Å; M183-L248 HydrophobicContact SD-CD2 3.52Å; M183-L248 VanDerWaalsContact SD-CD2 3.52Å |
| 184 | L | 85.4 | Confident | 68.6 | Low | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 131.2 | 170.7 | -60.2 | 166.1 | 0 | 0 | 0 | 110.2 | L176 L219 L220 T247 Y823 L827 | L176-L184 HydrophobicContact CD2-CD2 3.64Å; L184-L219 HydrophobicContact CD1-CD1 4.39Å; L184-L219 HydrophobicContact CD1-CG 4.25Å; L184-L220 HydrophobicContact CD2-CD2 4.46Å; L184-T247 PolarHBondContact N-O 3.34Å; L184-T247 PolarHBondContact O-N 3.25Å; L184-Y823 WeakPolarHBondContact CD1-OH 3.37Å; L184-L827 HydrophobicContact CD1-CD1 3.75Å; L184-L827 HydrophobicContact CD1-CD2 4.44Å |
| 185 | A | 85.9 | Confident | 67.6 | Low | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | trans | -146.5 | 144.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V131 S187 F188 L220 L246 | V131-A185 HydrophobicContact CG2-CB 3.71Å; A185-S187 WeakPolarHBondContact CB-OG 3.29Å; A185-S187 PolarHBondContact O-N 2.94Å; A185-F188 HydrophobicContact CB-CD1 4.17Å; A185-F188 HydrophobicContact CB-CE1 4.01Å; A185-F188 HydrophobicContact CB-CE2 4.49Å; A185-F188 HydrophobicContact CB-CG 4.47Å; A185-F188 HydrophobicContact CB-CZ 4.19Å; A185-F188 PolarHBondContact O-N 2.99Å; A185-L220 CarbonylContact C-O 3.56Å; A185-L246 HydrophobicContact CB-CD1 3.43Å; A185-L246 VanDerWaalsContact CB-CD1 3.43Å | ||
| 186 | P | 82.6 | Confident | 66.1 | Low | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -58.2 | -33.8 | 169.9 | -25.6 | 34.9 | 0 | 0 | 0 | 113.1 | L124 F188 L189 L220 F221 Y244 | L124-P186 HydrophobicContact CD2-CB 3.85Å; L124-P186 VanDerWaalsContact CD2-O 3.25Å; L124-P186 WeakPolarHBondContact CD2-O 3.33Å; P186-F188 PolarHBondContact O-N 3.41Å; P186-F188 VanDerWaalsContact O-N 3.08Å; P186-L189 WeakPolarHBondContact O-CB 3.18Å; P186-L189 PolarHBondContact O-N 3.46Å; P186-L220 WeakPolarHBondContact CD-O 3.31Å; P186-F221 HydrophobicContact CB-CD1 4.43Å; P186-F221 HydrophobicContact CB-CE1 3.97Å; P186-F221 HydrophobicContact CB-CE2 4.19Å; P186-F221 HydrophobicContact CB-CZ 3.84Å; P186-F221 HydrophobicContact CG-CD1 4.04Å; P186-F221 HydrophobicContact CG-CE1 4.03Å; P186-F221 HydrophobicContact CG-CG 4.35Å; P186-F221 HydrophobicContact CG-CZ 4.34Å; P186-Y244 HydrophobicContact CG-CD2 3.81Å; P186-Y244 HydrophobicContact CG-CE2 4.48Å; P186-Y244 HydrophobicContact CG-CG 4Å |
| 187 | S | 80.3 | Confident | 64.6 | Low | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -56.9 | -22.5 | -178.7 | 50.2 | 0 | 0 | 0 | 0 | 114.5 | S127 A185 L189 L190 | S127-S187 WeakPolarHBondContact OG-CA 3.29Å; S127-S187 WeakPolarHBondContact OG-CB 3.27Å; S127-S187 PolarHBondContact OG-N 3.02Å; A185-S187 WeakPolarHBondContact CB-OG 3.29Å; A185-S187 PolarHBondContact O-N 2.94Å; S187-L189 PolarHBondContact O-N 3.09Å; S187-L190 WeakPolarHBondContact O-CB 3.31Å; S187-L190 PolarHBondContact O-N 3.26Å |
| 188 | F | 78 | Confident | 63.1 | Low | 45 Ų | 45 | 67.5 Ų | 67.5 | 20% | 0.197 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -62.2 | -15.8 | 176 | -61.8 | -10.9 | 0 | 0 | 0 | 112.9 | M183 A185 P186 L190 L220 | M183-F188 HydrophobicContact CE-CE1 4.35Å; M183-F188 HydrophobicContact CE-CZ 4.07Å; M183-F188 HydrophobicContact CG-CZ 4.32Å; M183-F188 WeakPolarHBondContact O-CE2 3.44Å; A185-F188 HydrophobicContact CB-CD1 4.17Å; A185-F188 HydrophobicContact CB-CE1 4.01Å; A185-F188 HydrophobicContact CB-CE2 4.49Å; A185-F188 HydrophobicContact CB-CG 4.47Å; A185-F188 HydrophobicContact CB-CZ 4.19Å; A185-F188 PolarHBondContact O-N 2.99Å; P186-F188 PolarHBondContact O-N 3.41Å; P186-F188 VanDerWaalsContact O-N 3.08Å; F188-L190 VanDerWaalsContact C-N 3.3Å; F188-L190 PolarHBondContact O-N 3.4Å; F188-L220 HydrophobicContact CD2-CD2 4.26Å |
| 189 | L | 72.8 | Confident | 61.8 | Low | 8 Ų | 8 | 69.5 Ų | 69.5 | 4% | 0.042 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -73.5 | -14.1 | 170.6 | -63.2 | 172.6 | 0 | 0 | 0 | 114.4 | L124 V175 P186 S187 I208 A211 L217 L220 F221 | L124-L189 HydrophobicContact CD2-CB 4.36Å; L124-L189 HydrophobicContact CD2-CD1 4.36Å; V175-L189 HydrophobicContact CG1-CD2 4.29Å; P186-L189 WeakPolarHBondContact O-CB 3.18Å; P186-L189 PolarHBondContact O-N 3.46Å; S187-L189 PolarHBondContact O-N 3.09Å; L189-I208 HydrophobicContact CD1-CG1 4.36Å; L189-A211 HydrophobicContact CD2-CB 4.12Å; L189-L217 HydrophobicContact CD1-CD1 4.36Å; L189-L220 HydrophobicContact CD2-CD1 3.84Å; L189-L220 HydrophobicContact CG-CD1 4.04Å; L189-F221 HydrophobicContact CD1-CE2 4.01Å |
| 190 | L | 67.4 | Low | 60.4 | Low | 61 Ų | 61 | 71.1 Ų | 71.1 | 32% | 0.319 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -86.7 | -20.2 | 174.1 | -73.5 | 167.8 | 0 | 0 | 0 | 113.5 | L124 S187 F188 D192 | L124-L190 HydrophobicContact CB-CD1 3.59Å; L124-L190 HydrophobicContact CB-CD2 4.28Å; L124-L190 HydrophobicContact CB-CG 3.79Å; L124-L190 HydrophobicContact CD1-CD2 4.32Å; L124-L190 HydrophobicContact CD1-CG 4.28Å; S187-L190 WeakPolarHBondContact O-CB 3.31Å; S187-L190 PolarHBondContact O-N 3.26Å; F188-L190 VanDerWaalsContact C-N 3.3Å; F188-L190 PolarHBondContact O-N 3.4Å; L190-D192 PolarHBondContact O-N 3.46Å; L190-D192 VanDerWaalsContact O-N 3.1Å |
| 191 | V | 62.4 | Low | 58.8 | Low | 71 Ų | 71 | 77.6 Ų | 77.6 | 43% | 0.43 | 41% | 0.411 | S | S | . | . | trans | -81.5 | 98 | -161.9 | -177.4 | 0 | 0 | 0 | 0 | 111.9 | R193 | V191-R193 HydrophobicContact CG1-CB 4.39Å; V191-R193 HydrophobicContact CG1-CG 4.04Å; V191-R193 PolarHBondContact O-N 3.46Å | ||
| 192 | D | 51.9 | Low | 57.3 | Low | 94 Ų | 94 | 80.2 Ų | 80.2 | 50% | 0.503 | 43% | 0.427 | S | S | . | . | trans | -75.6 | 94.9 | 159.3 | -88.8 | -32.6 | 0 | 0 | 0 | 110.2 | L190 L194 R207 | L190-D192 PolarHBondContact O-N 3.46Å; L190-D192 VanDerWaalsContact O-N 3.1Å; D192-L194 PolarHBondContact O-N 2.67Å; D192-R207 VanDerWaalsContact CG-NH1 3.32Å; D192-R207 IonicContact OD1-CZ 3.4Å; D192-R207 VanDerWaalsContact OD1-CZ 3.27Å; D192-R207 IonicContact OD1-NH1 3.37Å; D192-R207 PolarHBondContact OD1-NH1 2.86Å; D192-R207 IonicContact OD1-NH2 3.82Å; D192-R207 PolarHBondContact OD1-NH2 3.36Å; D192-R207 IonicContact OD2-CZ 3.91Å; D192-R207 IonicContact OD2-NH1 3.03Å; D192-R207 IonicContact OD2-NH2 3.04Å; D192-R207 PolarHBondContact OD2-NH2 2.96Å | ||
| 193 | R | 47.1 | Very low | 56.3 | Low | 230 Ų | 230 | 82.9 Ų | 82.9 | 87% | 0.868 | 45% | 0.446 | S | S | * | . | trans | -80.1 | 10.1 | 171.7 | -113 | -175.8 | -174.6 | -161 | 3 | 114 | V191 | V191-R193 HydrophobicContact CG1-CB 4.39Å; V191-R193 HydrophobicContact CG1-CG 4.04Å; V191-R193 PolarHBondContact O-N 3.46Å | ||
| 194 | L | 38 | Very low | 55.2 | Low | 121 Ų | 121 | 83.7 Ų | 83.7 | 63% | 0.634 | 45% | 0.452 | S | S | * | . | trans | -114.5 | 102.3 | 177.9 | -93.9 | 150.8 | 0 | 0 | 0 | 109.7 | D192 V196 | D192-L194 PolarHBondContact O-N 2.67Å; L194-V196 PolarHBondContact O-N 2.91Å | ||
| 195 | G | 37.8 | Very low | 54.1 | Low | 89 Ų | 89 | 88 Ų | 88 | 92% | 0.918 | 47% | 0.474 | S | S | * | . | trans | -76.7 | 38.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 196 | V | 31 | Very low | 52.9 | Low | 108 Ų | 108 | 89.8 Ų | 89.8 | 66% | 0.655 | 49% | 0.486 | S | S | * | . | trans | -143.7 | 151.7 | -173.2 | -163.8 | 0 | 0 | 0 | 0 | 109.4 | L194 | L194-V196 PolarHBondContact O-N 2.91Š| ||
| 197 | I | 32.2 | Very low | 52 | Low | 132 Ų | 132 | 92.5 Ų | 92.5 | 68% | 0.677 | 50% | 0.497 | S | S | * | . | trans | 77.7 | 74.6 | 178.2 | -43.1 | -178.2 | 0 | 0 | 0 | 114.5 | S199 | I197-S199 VanDerWaalsContact CG2-OG 3.3Å; I197-S199 WeakPolarHBondContact CG2-OG 3.44Å; I197-S199 PolarHBondContact O-N 3.41Å | ||
| 198 | Q | 31.6 | Very low | 51.3 | Low | 208 Ų | 208 | 93.4 Ų | 93.4 | 97% | 0.972 | 50% | 0.501 | S | S | * | . | trans | -73.4 | 94.4 | 152.4 | -66.3 | 168.4 | -50.4 | 0 | 0 | 109.6 | ||||
| 199 | S | 32.5 | Very low | 50.6 | Low | 88 Ų | 88 | 98.2 Ų | 98.2 | 62% | 0.615 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -168.4 | -44.1 | 163.8 | 53.8 | 0 | 0 | 0 | 0 | 114.3 | I197 | I197-S199 VanDerWaalsContact CG2-OG 3.3Å; I197-S199 WeakPolarHBondContact CG2-OG 3.44Å; I197-S199 PolarHBondContact O-N 3.41Å |
| 200 | H | 35.4 | Very low | 50 | Low | 168 Ų | 168 | 102.4 Ų | 102.4 | 78% | 0.778 | 54% | 0.544 | S | S | * | . | trans | -133 | 95.6 | -176.8 | -74.3 | -18.5 | 0 | 0 | 0 | 111.1 | P202 | H200-P202 WeakPolarHBondContact O-CD 3.47Š| ||
| 201 | Q | 39.5 | Very low | 49.6 | Very low | 173 Ų | 173 | 100.1 Ų | 100.1 | 81% | 0.808 | 53% | 0.534 | S | S | * | . | trans | -82.1 | 111.7 | 172 | -78.2 | -175.2 | -35.3 | 0 | 0 | 110.8 | S203 | Q201-S203 PolarHBondContact O-N 2.88Š| ||
| 202 | P | 47.1 | Very low | 49.5 | Very low | 74 Ų | 74 | 99.5 Ų | 99.5 | 48% | 0.481 | 54% | 0.536 | S | S | . | . | trans | -68.8 | 106.4 | 164.4 | 29.9 | -32.8 | 0 | 0 | 0 | 107.8 | H200 S206 R207 | H200-P202 WeakPolarHBondContact O-CD 3.47Å; P202-S206 WeakPolarHBondContact CA-OG 3.34Å; P202-R207 PolarHBondContact O-NE 3.09Å | ||
| 203 | S | 58.7 | Low | 49.7 | Very low | 59 Ų | 59 | 99.5 Ų | 99.5 | 41% | 0.413 | 54% | 0.544 | S | S | . | . | trans | -39.2 | 154.9 | 178.1 | 66.4 | 0 | 0 | 0 | 0 | 114.3 | Q201 L205 S206 R207 | Q201-S203 PolarHBondContact O-N 2.88Å; S203-L205 PolarHBondContact O-N 3.42Å; S203-S206 PolarHBondContact N-OG 3.27Å; S203-S206 WeakPolarHBondContact O-CA 3.45Å; S203-S206 PolarHBondContact O-N 3.26Å; S203-S206 PolarHBondContact O-OG 3.31Å; S203-S206 PolarHBondContact OG-N 3.29Å; S203-S206 PolarHBondContact OG-OG 3.42Å; S203-R207 PolarHBondContact O-N 3.03Å | ||
| 204 | V | 60.7 | Low | 50.3 | Low | 26 Ų | 26 | 90.5 Ų | 90.5 | 16% | 0.158 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -52.7 | -34.6 | 174.5 | -175 | 0 | 0 | 0 | 0 | 110.9 | V121 L124 S206 R207 I208 | V121-V204 HydrophobicContact CG2-CG2 4.41Å; L124-V204 HydrophobicContact CD1-CG1 3.79Å; V204-S206 PolarHBondContact O-N 3.05Å; V204-R207 PolarHBondContact O-N 3.27Å; V204-I208 HydrophobicContact CG1-CD1 3.97Å; V204-I208 WeakPolarHBondContact O-CG1 3.46Å; V204-I208 PolarHBondContact O-N 3.41Å |
| 205 | L | 62.2 | Low | 51.7 | Low | 91 Ų | 91 | 89.7 Ų | 89.7 | 48% | 0.476 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.9 | -40 | 173.3 | -178.7 | 64.2 | 0 | 0 | 0 | 113.6 | S203 K209 | S203-L205 PolarHBondContact O-N 3.42Å; L205-K209 WeakPolarHBondContact O-CB 3.48Å; L205-K209 VanDerWaalsContact O-CG 3.26Å; L205-K209 WeakPolarHBondContact O-CG 3.42Å; L205-K209 PolarHBondContact O-N 3.42Å |
| 206 | S | 61.9 | Low | 53.2 | Low | 38 Ų | 38 | 86.1 Ų | 86.1 | 27% | 0.266 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -69.5 | -36.4 | 174.1 | 25.2 | 0 | 0 | 0 | 0 | 112.8 | P202 S203 V204 I208 K209 L210 | P202-S206 WeakPolarHBondContact CA-OG 3.34Å; S203-S206 PolarHBondContact N-OG 3.27Å; S203-S206 WeakPolarHBondContact O-CA 3.45Å; S203-S206 PolarHBondContact O-N 3.26Å; S203-S206 PolarHBondContact O-OG 3.31Å; S203-S206 PolarHBondContact OG-N 3.29Å; S203-S206 PolarHBondContact OG-OG 3.42Å; V204-S206 PolarHBondContact O-N 3.05Å; S206-I208 VanDerWaalsContact C-N 3.35Å; S206-K209 PolarHBondContact O-N 3.02Å; S206-L210 WeakPolarHBondContact O-CB 3.29Å; S206-L210 PolarHBondContact O-N 2.94Å |
| 207 | R | 63.7 | Low | 55.3 | Low | 59 Ų | 59 | 81.1 Ų | 81.1 | 22% | 0.223 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -64.6 | -41.2 | 174.4 | -57.6 | -178.1 | -165.9 | -137 | 2.2 | 111.2 | D192 P202 S203 V204 L210 A211 | D192-R207 VanDerWaalsContact CG-NH1 3.32Å; D192-R207 IonicContact OD1-CZ 3.4Å; D192-R207 VanDerWaalsContact OD1-CZ 3.27Å; D192-R207 IonicContact OD1-NH1 3.37Å; D192-R207 PolarHBondContact OD1-NH1 2.86Å; D192-R207 IonicContact OD1-NH2 3.82Å; D192-R207 PolarHBondContact OD1-NH2 3.36Å; D192-R207 IonicContact OD2-CZ 3.91Å; D192-R207 IonicContact OD2-NH1 3.03Å; D192-R207 IonicContact OD2-NH2 3.04Å; D192-R207 PolarHBondContact OD2-NH2 2.96Å; P202-R207 PolarHBondContact O-NE 3.09Å; S203-R207 PolarHBondContact O-N 3.03Å; V204-R207 PolarHBondContact O-N 3.27Å; R207-L210 PolarHBondContact O-N 3.45Å; R207-A211 WeakPolarHBondContact O-CB 3.31Å; R207-A211 PolarHBondContact O-N 3.41Å |
| 208 | I | 65.7 | Low | 57.4 | Low | 19 Ų | 19 | 76.7 Ų | 76.7 | 10% | 0.097 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -65.5 | -41.9 | 173.2 | -67.8 | 167.4 | 0 | 0 | 0 | 111.5 | I120 L189 V204 S206 L210 A211 A212 W225 | I120-I208 HydrophobicContact CG2-CD1 3.71Å; L189-I208 HydrophobicContact CD1-CG1 4.36Å; V204-I208 HydrophobicContact CG1-CD1 3.97Å; V204-I208 WeakPolarHBondContact O-CG1 3.46Å; V204-I208 PolarHBondContact O-N 3.41Å; S206-I208 VanDerWaalsContact C-N 3.35Å; I208-L210 VanDerWaalsContact C-N 3.32Å; I208-L210 PolarHBondContact O-N 2.92Å; I208-A211 PolarHBondContact O-N 3.22Å; I208-A212 VanDerWaalsContact O-CB 3.28Å; I208-A212 WeakPolarHBondContact O-CB 3.43Å; I208-A212 PolarHBondContact O-N 2.86Å; I208-W225 HydrophobicContact CG2-CH2 4.11Å; I208-W225 HydrophobicContact CG2-CZ2 4.24Å |
| 209 | K | 63.6 | Low | 59.5 | Low | 145 Ų | 145 | 67 Ų | 67 | 63% | 0.63 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -60 | -40.8 | 173.1 | -76.7 | 170 | 176.9 | -179.3 | 0 | 111.9 | L205 S206 A212 | L205-K209 WeakPolarHBondContact O-CB 3.48Å; L205-K209 VanDerWaalsContact O-CG 3.26Å; L205-K209 WeakPolarHBondContact O-CG 3.42Å; L205-K209 PolarHBondContact O-N 3.42Å; S206-K209 PolarHBondContact O-N 3.02Å; K209-A212 PolarHBondContact O-N 3.39Å |
| 210 | L | 58.8 | Low | 61.8 | Low | 97 Ų | 97 | 62.8 Ų | 62.8 | 51% | 0.508 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -72 | -39.3 | -179.5 | -157.3 | 75.2 | 0 | 0 | 0 | 111.9 | T171 S206 R207 I208 A212 S213 | T171-L210 HydrophobicContact CG2-CD2 3.99Å; S206-L210 WeakPolarHBondContact O-CB 3.29Å; S206-L210 PolarHBondContact O-N 2.94Å; R207-L210 PolarHBondContact O-N 3.45Å; I208-L210 VanDerWaalsContact C-N 3.32Å; I208-L210 PolarHBondContact O-N 2.92Å; L210-A212 VanDerWaalsContact C-N 3.25Å; L210-A212 PolarHBondContact O-N 3.43Å; L210-S213 PolarHBondContact O-N 3.49Å; L210-S213 PolarHBondContact O-OG 2.82Å |
| 211 | A | 60.5 | Low | 63.9 | Low | 12 Ų | 12 | 55.2 Ų | 55.2 | 10% | 0.099 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.9 | -21.6 | 173 | 0 | 0 | 0 | 0 | 0 | 113.3 | L189 R207 I208 S213 L216 L217 | L189-A211 HydrophobicContact CD2-CB 4.12Å; R207-A211 WeakPolarHBondContact O-CB 3.31Å; R207-A211 PolarHBondContact O-N 3.41Å; I208-A211 PolarHBondContact O-N 3.22Å; A211-S213 VanDerWaalsContact C-N 3.3Å; A211-S213 PolarHBondContact O-N 2.81Å; A211-L216 HydrophobicContact CB-CD2 3.81Å; A211-L217 HydrophobicContact CB-CD1 3.98Å |
| 212 | A | 60.2 | Low | 65.5 | Low | 58 Ų | 58 | 47 Ų | 47 | 48% | 0.479 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -1.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | I208 K209 L210 G214 L217 | I208-A212 VanDerWaalsContact O-CB 3.28Å; I208-A212 WeakPolarHBondContact O-CB 3.43Å; I208-A212 PolarHBondContact O-N 2.86Å; K209-A212 PolarHBondContact O-N 3.39Å; L210-A212 VanDerWaalsContact C-N 3.25Å; L210-A212 PolarHBondContact O-N 3.43Å; A212-G214 PolarHBondContact O-N 3.33Å; A212-L217 HydrophobicContact CB-CD2 4.01Å |
| 213 | S | 55.1 | Low | 66.9 | Low | 95 Ų | 95 | 44 Ų | 44 | 66% | 0.664 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | 2.1 | 176.9 | 66.5 | 0 | 0 | 0 | 0 | 114.2 | L210 A211 | L210-S213 PolarHBondContact O-N 3.49Å; L210-S213 PolarHBondContact O-OG 2.82Å; A211-S213 VanDerWaalsContact C-N 3.3Å; A211-S213 PolarHBondContact O-N 2.81Å |
| 214 | G | 60.3 | Low | 67.7 | Low | 41 Ų | 41 | 42 Ų | 42 | 42% | 0.423 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -167.5 | -169.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | A212 L216 | A212-G214 PolarHBondContact O-N 3.33Å; G214-L216 PolarHBondContact O-N 3.43Å |
| 215 | N | 67 | Low | 68.3 | Low | 104 Ų | 104 | 43.4 Ų | 43.4 | 56% | 0.556 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -1.3 | -176.9 | -68.4 | 7 | 0 | 0 | 0 | 114.4 | L217 D218 L219 | N215-L217 VanDerWaalsContact C-N 3.32Å; N215-L217 PolarHBondContact O-N 3.32Å; N215-D218 PolarHBondContact O-N 3.48Å; N215-L219 PolarHBondContact O-N 3.42Å |
| 216 | L | 69.8 | Low | 68.6 | Low | 13 Ų | 13 | 45.2 Ų | 45.2 | 7% | 0.068 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.7 | -33 | -176.3 | -175.2 | 143.5 | 0 | 0 | 0 | 112.7 | I172 V175 L176 A211 G214 L219 L220 | I172-L216 HydrophobicContact CG2-CD1 3.95Å; V175-L216 HydrophobicContact CG1-CD2 4.47Å; L176-L216 HydrophobicContact CD1-CD1 4.28Å; L176-L216 HydrophobicContact CG-CD1 4.5Å; A211-L216 HydrophobicContact CB-CD2 3.81Å; G214-L216 PolarHBondContact O-N 3.43Å; L216-L219 WeakPolarHBondContact O-CB 3.28Å; L216-L219 PolarHBondContact O-N 2.83Å; L216-L220 HydrophobicContact CD2-CD1 3.62Å; L216-L220 HydrophobicContact CD2-CG 4.24Å; L216-L220 WeakPolarHBondContact O-CG 3.34Å; L216-L220 PolarHBondContact O-N 3.31Å |
| 217 | L | 74.9 | Confident | 68.9 | Low | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.9 | -39.9 | 175.9 | -160.4 | 65.3 | 0 | 0 | 0 | 112.1 | L189 A211 A212 N215 L219 F221 W225 | L189-L217 HydrophobicContact CD1-CD1 4.36Å; A211-L217 HydrophobicContact CB-CD1 3.98Å; A212-L217 HydrophobicContact CB-CD2 4.01Å; N215-L217 VanDerWaalsContact C-N 3.32Å; N215-L217 PolarHBondContact O-N 3.32Å; L217-L219 VanDerWaalsContact C-N 3.29Å; L217-L219 PolarHBondContact O-N 2.84Å; L217-F221 HydrophobicContact CD1-CD2 4.26Å; L217-F221 HydrophobicContact CD1-CE2 4.05Å; L217-F221 WeakPolarHBondContact O-CD2 3.21Å; L217-F221 PolarHBondContact O-N 3.43Å; L217-W225 HydrophobicContact CD1-CE3 4.26Å; L217-W225 HydrophobicContact CD1-CZ3 4.26Å; L217-W225 HydrophobicContact CD2-CB 4.18Å; L217-W225 HydrophobicContact CD2-CD2 3.37Å; L217-W225 HydrophobicContact CD2-CE3 3.59Å; L217-W225 HydrophobicContact CD2-CG 3.64Å; L217-W225 HydrophobicContact CD2-CH2 4.36Å; L217-W225 HydrophobicContact CD2-CZ2 4.2Å; L217-W225 HydrophobicContact CD2-CZ3 4.08Å; L217-W225 HydrophobicContact CG-CB 4.46Å; L217-W225 HydrophobicContact CG-CD2 3.98Å; L217-W225 HydrophobicContact CG-CE3 3.71Å; L217-W225 HydrophobicContact CG-CG 4.31Å; L217-W225 HydrophobicContact CG-CZ3 4.21Å |
| 218 | D | 75.4 | Confident | 69.3 | Low | 39 Ų | 39 | 43.1 Ų | 43.1 | 21% | 0.209 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.3 | -32.5 | 173.5 | -75.9 | 11.1 | 0 | 0 | 0 | 111.2 | N215 G222 P224 W225 Y818 Y823 | N215-D218 PolarHBondContact O-N 3.48Å; D218-G222 PolarHBondContact O-N 3.28Å; D218-P224 WeakPolarHBondContact OD2-CA 3.35Å; D218-W225 VanDerWaalsContact OD1-CB 3.28Å; D218-W225 WeakPolarHBondContact OD1-CB 3.47Å; D218-W225 PolarHBondContact OD1-N 3.2Å; D218-Y818 PolarHBondContact OD2-OH 3.24Å; D218-Y823 VanDerWaalsContact O-CE2 3.27Å; D218-Y823 WeakPolarHBondContact O-CE2 3.36Å |
| 219 | L | 77.3 | Confident | 69.4 | Low | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.1 | -47.8 | 177.7 | -165.3 | 66.8 | 0 | 0 | 0 | 112.2 | L176 L184 N215 L216 L217 F221 Y823 L827 | L176-L219 HydrophobicContact CD2-CD2 4.24Å; L184-L219 HydrophobicContact CD1-CD1 4.39Å; L184-L219 HydrophobicContact CD1-CG 4.25Å; N215-L219 PolarHBondContact O-N 3.42Å; L216-L219 WeakPolarHBondContact O-CB 3.28Å; L216-L219 PolarHBondContact O-N 2.83Å; L217-L219 VanDerWaalsContact C-N 3.29Å; L217-L219 PolarHBondContact O-N 2.84Å; L219-F221 PolarHBondContact O-N 3.49Å; L219-Y823 HydrophobicContact CD1-CE1 4.23Å; L219-Y823 HydrophobicContact CD1-CE2 4.16Å; L219-Y823 VanDerWaalsContact O-CE2 3.27Å; L219-Y823 WeakPolarHBondContact O-CE2 3.46Å; L219-Y823 VanDerWaalsContact O-CZ 3.32Å; L219-Y823 PolarHBondContact O-OH 2.72Å; L219-L827 HydrophobicContact CD1-CB 4.01Å; L219-L827 HydrophobicContact CD1-CD1 4.09Å |
| 220 | L | 79.7 | Confident | 69.6 | Low | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.4 | -27.6 | -179.1 | -70.4 | 175.1 | 0 | 0 | 0 | 114 | V175 L176 L184 A185 P186 F188 L189 L216 | V175-L220 HydrophobicContact CG1-CD1 3.88Å; L176-L220 HydrophobicContact CD2-CD2 4.41Å; L184-L220 HydrophobicContact CD2-CD2 4.46Å; A185-L220 CarbonylContact C-O 3.56Å; P186-L220 WeakPolarHBondContact CD-O 3.31Å; F188-L220 HydrophobicContact CD2-CD2 4.26Å; L189-L220 HydrophobicContact CD2-CD1 3.84Å; L189-L220 HydrophobicContact CG-CD1 4.04Å; L216-L220 HydrophobicContact CD2-CD1 3.62Å; L216-L220 HydrophobicContact CD2-CG 4.24Å; L216-L220 WeakPolarHBondContact O-CG 3.34Å; L216-L220 PolarHBondContact O-N 3.31Å |
| 221 | F | 79.3 | Confident | 70 | Confident | 10 Ų | 10 | 32.9 Ų | 32.9 | 4% | 0.044 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -90.9 | -8.3 | -178.5 | -85.7 | -95.8 | 0 | 0 | 0 | 114.5 | P186 L189 L217 L219 F223 W225 T228 L230 A245 | P186-F221 HydrophobicContact CB-CD1 4.43Å; P186-F221 HydrophobicContact CB-CE1 3.97Å; P186-F221 HydrophobicContact CB-CE2 4.19Å; P186-F221 HydrophobicContact CB-CZ 3.84Å; P186-F221 HydrophobicContact CG-CD1 4.04Å; P186-F221 HydrophobicContact CG-CE1 4.03Å; P186-F221 HydrophobicContact CG-CG 4.35Å; P186-F221 HydrophobicContact CG-CZ 4.34Å; L189-F221 HydrophobicContact CD1-CE2 4.01Å; L217-F221 HydrophobicContact CD1-CD2 4.26Å; L217-F221 HydrophobicContact CD1-CE2 4.05Å; L217-F221 WeakPolarHBondContact O-CD2 3.21Å; L217-F221 PolarHBondContact O-N 3.43Å; L219-F221 PolarHBondContact O-N 3.49Å; F221-F223 PolarHBondContact O-N 2.94Å; F221-F223 VanDerWaalsContact O-N 3.09Å; F221-W225 HydrophobicContact CD2-CE3 4.29Å; F221-W225 HydrophobicContact CD2-CZ3 4.3Å; F221-W225 HydrophobicContact CE1-CZ3 4.27Å; F221-W225 HydrophobicContact CE2-CE3 4.26Å; F221-W225 AromaticContact CE2-CZ3 3.82Å; F221-W225 HydrophobicContact CE2-CZ3 3.82Å; F221-W225 AromaticContact CZ-CZ3 3.81Å; F221-W225 HydrophobicContact CZ-CZ3 3.81Å; F221-T228 HydrophobicContact CB-CG2 3.96Å; F221-T228 HydrophobicContact CD1-CG2 4.08Å; F221-T228 HydrophobicContact CG-CG2 4.27Å; F221-L230 HydrophobicContact CD1-CD1 4.25Å; F221-L230 HydrophobicContact CE1-CD1 3.42Å; F221-L230 VanDerWaalsContact CE1-CD1 3.42Å; F221-L230 HydrophobicContact CZ-CD1 3.86Å; F221-A245 PolarHBondContact O-N 3.36Å |
| 222 | G | 74.7 | Confident | 69.7 | Low | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | S | Bend | trans | 68.1 | 2.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115 | D218 Y823 | D218-G222 PolarHBondContact O-N 3.28Å; G222-Y823 VanDerWaalsContact CA-CE2 3.46Å |
| 223 | F | 76.1 | Confident | 69.2 | Low | 11 Ų | 11 | 43.9 Ų | 43.9 | 5% | 0.048 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -150.2 | 152.3 | -175.2 | -76.3 | -83.1 | 0 | 0 | 0 | 109.2 | V101 F221 W225 T228 A245 I815 | V101-F223 HydrophobicContact CG1-CE2 3.83Å; V101-F223 HydrophobicContact CG1-CZ 3.78Å; V101-F223 HydrophobicContact CG2-CE2 4.17Å; V101-F223 HydrophobicContact CG2-CZ 4.1Å; F221-F223 PolarHBondContact O-N 2.94Å; F221-F223 VanDerWaalsContact O-N 3.09Å; F223-W225 PolarHBondContact O-N 2.98Å; F223-T228 HydrophobicContact CB-CG2 3.92Å; F223-A245 HydrophobicContact CD2-CB 3.96Å; F223-A245 HydrophobicContact CE2-CB 3.61Å; F223-I815 HydrophobicContact CE1-CG2 3.9Å |
| 224 | P | 74.1 | Confident | 69 | Low | 17 Ų | 17 | 41.3 Ų | 41.3 | 11% | 0.11 | 22% | 0.22 | C | C | . | . | trans | -65.7 | 129.9 | 177 | 18.8 | -19 | 0 | 0 | 0 | 110.6 | D218 K226 T227 T228 Y818 | D218-P224 WeakPolarHBondContact OD2-CA 3.35Å; P224-K226 PolarHBondContact O-N 2.89Å; P224-T227 WeakPolarHBondContact CD-OG1 3.38Å; P224-T227 HydrophobicContact CG-CG2 3.98Å; P224-T227 WeakPolarHBondContact CG-OG1 3.4Å; P224-T227 WeakPolarHBondContact O-CA 3.49Å; P224-T227 PolarHBondContact O-N 3.07Å; P224-T227 PolarHBondContact O-OG1 3.39Å; P224-T228 PolarHBondContact O-N 2.68Å; P224-Y818 HydrophobicContact CB-CE1 4.35Å; P224-Y818 HydrophobicContact CB-CE2 3.88Å; P224-Y818 VanDerWaalsContact CD-CE1 3.48Å; P224-Y818 HydrophobicContact CG-CD1 4.25Å; P224-Y818 HydrophobicContact CG-CD2 4.08Å; P224-Y818 HydrophobicContact CG-CE1 3.91Å; P224-Y818 HydrophobicContact CG-CE2 3.69Å; P224-Y818 HydrophobicContact CG-CG 4.35Å | ||
| 225 | W | 73.8 | Confident | 68.4 | Low | 55 Ų | 55 | 45.6 Ų | 45.6 | 21% | 0.208 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -29.2 | -174.3 | 175.5 | -105.9 | 0 | 0 | 0 | 113.8 | I208 L217 D218 F221 F223 T227 T228 L230 | I208-W225 HydrophobicContact CG2-CH2 4.11Å; I208-W225 HydrophobicContact CG2-CZ2 4.24Å; L217-W225 HydrophobicContact CD1-CE3 4.26Å; L217-W225 HydrophobicContact CD1-CZ3 4.26Å; L217-W225 HydrophobicContact CD2-CB 4.18Å; L217-W225 HydrophobicContact CD2-CD2 3.37Å; L217-W225 HydrophobicContact CD2-CE3 3.59Å; L217-W225 HydrophobicContact CD2-CG 3.64Å; L217-W225 HydrophobicContact CD2-CH2 4.36Å; L217-W225 HydrophobicContact CD2-CZ2 4.2Å; L217-W225 HydrophobicContact CD2-CZ3 4.08Å; L217-W225 HydrophobicContact CG-CB 4.46Å; L217-W225 HydrophobicContact CG-CD2 3.98Å; L217-W225 HydrophobicContact CG-CE3 3.71Å; L217-W225 HydrophobicContact CG-CG 4.31Å; L217-W225 HydrophobicContact CG-CZ3 4.21Å; D218-W225 VanDerWaalsContact OD1-CB 3.28Å; D218-W225 WeakPolarHBondContact OD1-CB 3.47Å; D218-W225 PolarHBondContact OD1-N 3.2Å; F221-W225 HydrophobicContact CD2-CE3 4.29Å; F221-W225 HydrophobicContact CD2-CZ3 4.3Å; F221-W225 HydrophobicContact CE1-CZ3 4.27Å; F221-W225 HydrophobicContact CE2-CE3 4.26Å; F221-W225 AromaticContact CE2-CZ3 3.82Å; F221-W225 HydrophobicContact CE2-CZ3 3.82Å; F221-W225 AromaticContact CZ-CZ3 3.81Å; F221-W225 HydrophobicContact CZ-CZ3 3.81Å; F223-W225 PolarHBondContact O-N 2.98Å; W225-T227 PolarHBondContact O-N 2.92Å; W225-T228 PolarHBondContact O-OG1 3.21Å; W225-T228 VanDerWaalsContact O-OG1 3.06Å; W225-L230 HydrophobicContact CE3-CB 4.3Å; W225-L230 HydrophobicContact CE3-CD1 4.45Å; W225-L230 HydrophobicContact CH2-CB 3.72Å; W225-L230 HydrophobicContact CH2-CD1 4Å; W225-L230 HydrophobicContact CH2-CG 4.49Å; W225-L230 HydrophobicContact CZ2-CB 4.07Å; W225-L230 HydrophobicContact CZ3-CB 3.85Å; W225-L230 HydrophobicContact CZ3-CD1 3.63Å; W225-L230 HydrophobicContact CZ3-CG 4.4Å |
| 226 | K | 69.6 | Low | 67.9 | Low | 130 Ų | 130 | 43.6 Ų | 43.6 | 57% | 0.565 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -31.2 | 173.2 | -63.4 | -176.8 | -178.5 | -178.9 | 0 | 112.4 | P224 S231 | P224-K226 PolarHBondContact O-N 2.89Å; K226-S231 PolarHBondContact O-OG 2.86Å; K226-S231 VanDerWaalsContact O-OG 3.07Å |
| 227 | T | 67.5 | Low | 67.4 | Low | 52 Ų | 52 | 45 Ų | 45 | 32% | 0.319 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -16.1 | -173.3 | 69.7 | 0 | 0 | 0 | 0 | 115.3 | P224 W225 G229 | P224-T227 WeakPolarHBondContact CD-OG1 3.38Å; P224-T227 HydrophobicContact CG-CG2 3.98Å; P224-T227 WeakPolarHBondContact CG-OG1 3.4Å; P224-T227 WeakPolarHBondContact O-CA 3.49Å; P224-T227 PolarHBondContact O-N 3.07Å; P224-T227 PolarHBondContact O-OG1 3.39Å; W225-T227 PolarHBondContact O-N 2.92Å; T227-G229 PolarHBondContact O-N 2.86Å |
| 228 | T | 70.8 | Confident | 66.5 | Low | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -62.3 | -4.6 | 179.8 | 58.3 | 0 | 0 | 0 | 0 | 114.4 | F221 F223 P224 W225 L230 V242 T243 | F221-T228 HydrophobicContact CB-CG2 3.96Å; F221-T228 HydrophobicContact CD1-CG2 4.08Å; F221-T228 HydrophobicContact CG-CG2 4.27Å; F223-T228 HydrophobicContact CB-CG2 3.92Å; P224-T228 PolarHBondContact O-N 2.68Å; W225-T228 PolarHBondContact O-OG1 3.21Å; W225-T228 VanDerWaalsContact O-OG1 3.06Å; T228-L230 PolarHBondContact O-N 2.86Å; T228-L230 PolarHBondContact OG1-N 3.42Å; T228-V242 CarbonylContact O-C 3.45Å; T228-V242 VanDerWaalsContact O-CA 3.27Å; T228-V242 WeakPolarHBondContact O-CA 3.16Å; T228-V242 WeakPolarHBondContact O-CG1 3.32Å; T228-T243 WeakPolarHBondContact CA-O 3.44Å; T228-T243 WeakPolarHBondContact CB-O 3.45Å; T228-T243 PolarHBondContact O-N 3.37Å |
| 229 | G | 68.1 | Low | 65.9 | Low | 14 Ų | 14 | 55.9 Ų | 55.9 | 14% | 0.144 | 27% | 0.27 | C | S | . | . | S | Bend | trans | 78.7 | -2.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | T227 R240 | T227-G229 PolarHBondContact O-N 2.86Å; G229-R240 VanDerWaalsContact O-CZ 3.23Å; G229-R240 PolarHBondContact O-NE 3.5Å; G229-R240 PolarHBondContact O-NH2 3.14Å |
| 230 | L | 69.5 | Low | 65.5 | Low | 14 Ų | 14 | 57 Ų | 57 | 7% | 0.073 | 27% | 0.274 | C | S | . | . | trans | -93.1 | -13.2 | -179.6 | -67.3 | 174.1 | 0 | 0 | 0 | 114.7 | I115 L123 F221 W225 T228 V242 | I115-L230 HydrophobicContact CD1-CD2 3.89Å; L123-L230 HydrophobicContact CD1-CD2 3.84Å; F221-L230 HydrophobicContact CD1-CD1 4.25Å; F221-L230 HydrophobicContact CE1-CD1 3.42Å; F221-L230 VanDerWaalsContact CE1-CD1 3.42Å; F221-L230 HydrophobicContact CZ-CD1 3.86Å; W225-L230 HydrophobicContact CE3-CB 4.3Å; W225-L230 HydrophobicContact CE3-CD1 4.45Å; W225-L230 HydrophobicContact CH2-CB 3.72Å; W225-L230 HydrophobicContact CH2-CD1 4Å; W225-L230 HydrophobicContact CH2-CG 4.49Å; W225-L230 HydrophobicContact CZ2-CB 4.07Å; W225-L230 HydrophobicContact CZ3-CB 3.85Å; W225-L230 HydrophobicContact CZ3-CD1 3.63Å; W225-L230 HydrophobicContact CZ3-CG 4.4Å; T228-L230 PolarHBondContact O-N 2.86Å; T228-L230 PolarHBondContact OG1-N 3.42Å; L230-V242 HydrophobicContact CD1-CG1 4.32Å; L230-V242 HydrophobicContact CD2-CG1 4.03Å; L230-V242 HydrophobicContact CD2-CG2 3.78Å; L230-V242 HydrophobicContact CG-CG1 3.95Å; L230-V242 HydrophobicContact CG-CG2 4.22Å | ||
| 231 | S | 66.2 | Low | 65 | Low | 18 Ų | 18 | 60.7 Ų | 60.7 | 13% | 0.126 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -64.2 | 150.4 | -178 | 67.3 | 0 | 0 | 0 | 0 | 113.7 | K226 L233 R240 | K226-S231 PolarHBondContact O-OG 2.86Å; K226-S231 VanDerWaalsContact O-OG 3.07Å; S231-L233 PolarHBondContact O-N 3.27Å; S231-R240 PolarHBondContact O-NH2 3.49Å |
| 232 | K | 53.8 | Low | 64.9 | Low | 201 Ų | 201 | 60.2 Ų | 60.2 | 87% | 0.874 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -14.3 | 177.6 | -75.3 | -172.3 | 175.7 | -175.8 | 0 | 114.2 | S234 | K232-S234 VanDerWaalsContact C-N 3.32Å; K232-S234 PolarHBondContact O-N 3.25Å |
| 233 | L | 50.1 | Low | 65.1 | Low | 101 Ų | 101 | 60.3 Ų | 60.3 | 53% | 0.529 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 11.2 | -171.4 | -147.5 | 80.5 | 0 | 0 | 0 | 114.3 | S231 N801 | S231-L233 PolarHBondContact O-N 3.27Å; L233-N801 WeakPolarHBondContact CD2-OD1 3.42Å |
| 234 | S | 50.2 | Low | 65.5 | Low | 40 Ų | 40 | 59.9 Ų | 59.9 | 28% | 0.28 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -87.1 | 130 | 177 | -171.1 | 0 | 0 | 0 | 0 | 110.8 | K232 R240 | K232-S234 VanDerWaalsContact C-N 3.32Å; K232-S234 PolarHBondContact O-N 3.25Å; S234-R240 VanDerWaalsContact CB-CZ 3.48Å |
| 235 | R | 47.8 | Very low | 66 | Low | 131 Ų | 131 | 59 Ų | 59 | 49% | 0.494 | 29% | 0.288 | S | S | . | . | trans | -57 | 142.2 | 175.2 | -86 | -177.2 | 161.5 | 136.1 | -19 | 111.1 | S237 T804 | R235-S237 PolarHBondContact O-N 3.25Å; R235-S237 VanDerWaalsContact O-N 3.12Å; R235-T804 WeakPolarHBondContact CD-O 2.93Å; R235-T804 PolarHBondContact NH1-O 3.44Å | ||
| 236 | C | 56.5 | Low | 66.7 | Low | 62 Ų | 62 | 56.5 Ų | 56.5 | 42% | 0.419 | 28% | 0.279 | S | S | . | . | trans | -44.7 | 117.3 | 164.8 | -83 | 0 | 0 | 0 | 0 | 110.3 | P111 C113 | P111-C236 HydrophobicContact CB-CB 4.46Å; P111-C236 PolarHBondContact O-SG 3.31Å; P111-C236 VanDerWaalsContact O-SG 3.37Å; C113-C236 WeakPolarHBondContact CA-SG 3.27Å; C113-C236 HydrophobicContact CB-CB 4.35Å; C113-C236 WeakPolarHBondContact CB-SG 3.43Å; C113-C236 PolarHBondContact N-SG 3.49Å; C113-C236 VanDerWaalsContact SG-CA 3.52Å; C113-C236 WeakPolarHBondContact SG-CB 3.35Å; C113-C236 PolarHBondContact SG-N 3.35Å; C113-C236 VanDerWaalsContact SG-N 3.36Å; C113-C236 CovalentContact SG-SG 2.03Å; C113-C236 PolarHBondContact SG-SG 3.34Å | ||
| 237 | S | 60.2 | Low | 67.4 | Low | 43 Ų | 43 | 50.4 Ų | 50.4 | 30% | 0.301 | 25% | 0.252 | S | S | . | . | trans | -144.4 | 145.1 | 179.2 | 63.3 | 0 | 0 | 0 | 0 | 110.4 | R235 E239 | R235-S237 PolarHBondContact O-N 3.25Å; R235-S237 VanDerWaalsContact O-N 3.12Å; S237-E239 PolarHBondContact O-N 3.18Å; S237-E239 PolarHBondContact OG-O 3.22Å | ||
| 238 | R | 55.5 | Low | 68.2 | Low | 165 Ų | 165 | 47.9 Ų | 47.9 | 62% | 0.623 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -70.5 | -18.9 | 175.3 | -87.6 | -177.8 | 157.3 | 157.3 | -4.1 | 113.9 | I107 T108 K109 P111 | I107-R238 WeakPolarHBondContact CA-O 3.32Å; T108-R238 PolarHBondContact N-O 3.22Å; T108-R238 VanDerWaalsContact N-O 3.1Å; K109-R238 PolarHBondContact O-NE 3.16Å; K109-R238 PolarHBondContact O-NH2 3.25Å; P111-R238 HydrophobicContact CB-CG 4.39Å |
| 239 | E | 63.6 | Low | 68.7 | Low | 106 Ų | 106 | 48.2 Ų | 48.2 | 50% | 0.495 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 127.1 | 178 | -54.4 | -160.6 | 124.6 | 0 | 0 | 108.6 | K105 I106 I107 S237 | K105-E239 VanDerWaalsContact CE-OE1 3.25Å; K105-E239 WeakPolarHBondContact CE-OE1 3.32Å; K105-E239 VanDerWaalsContact CE-OE2 3.23Å; K105-E239 WeakPolarHBondContact CE-OE2 3.48Å; K105-E239 IonicContact NZ-OE1 3.34Å; K105-E239 PolarHBondContact NZ-OE1 3.47Å; K105-E239 IonicContact NZ-OE2 2.69Å; K105-E239 PolarHBondContact NZ-OE2 3.44Å; I106-E239 WeakPolarHBondContact O-CA 3.38Å; I107-E239 HydrophobicContact CG1-CG 4.36Å; S237-E239 PolarHBondContact O-N 3.18Å; S237-E239 PolarHBondContact OG-O 3.22Å |
| 240 | R | 68.1 | Low | 69.2 | Low | 26 Ų | 26 | 47.6 Ų | 47.6 | 10% | 0.098 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 122.7 | -176.9 | -173.3 | 170.1 | 179 | 151 | -0.1 | 109.5 | I106 G229 S231 S234 | I106-R240 PolarHBondContact N-O 3.05Å; I106-R240 PolarHBondContact O-N 3.5Å; G229-R240 VanDerWaalsContact O-CZ 3.23Å; G229-R240 PolarHBondContact O-NE 3.5Å; G229-R240 PolarHBondContact O-NH2 3.14Å; S231-R240 PolarHBondContact O-NH2 3.49Å; S234-R240 VanDerWaalsContact CB-CZ 3.48Å |
| 241 | T | 70.4 | Confident | 69.6 | Low | 78 Ų | 78 | 52.7 Ų | 52.7 | 48% | 0.479 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 119.6 | 175.6 | 48.1 | 0 | 0 | 0 | 0 | 110 | K105 | K105-T241 HydrophobicContact CB-CG2 4.37Å; K105-T241 HydrophobicContact CG-CG2 4.27Å |
| 242 | V | 76 | Confident | 69.8 | Low | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 138.7 | 168.5 | 167.8 | 0 | 0 | 0 | 0 | 108.9 | S104 I106 L123 T228 L230 | S104-V242 PolarHBondContact N-O 2.92Å; S104-V242 PolarHBondContact O-N 3.5Å; I106-V242 HydrophobicContact CD1-CB 4.36Å; I106-V242 HydrophobicContact CD1-CG2 3.66Å; L123-V242 HydrophobicContact CD1-CB 4.35Å; L123-V242 HydrophobicContact CD1-CG1 3.86Å; L123-V242 HydrophobicContact CD1-CG2 4.3Å; L123-V242 HydrophobicContact CD2-CB 4.43Å; L123-V242 HydrophobicContact CD2-CG1 4Å; T228-V242 CarbonylContact O-C 3.45Å; T228-V242 VanDerWaalsContact O-CA 3.27Å; T228-V242 WeakPolarHBondContact O-CA 3.16Å; T228-V242 WeakPolarHBondContact O-CG1 3.32Å; L230-V242 HydrophobicContact CD1-CG1 4.32Å; L230-V242 HydrophobicContact CD2-CG1 4.03Å; L230-V242 HydrophobicContact CD2-CG2 3.78Å; L230-V242 HydrophobicContact CG-CG1 3.95Å; L230-V242 HydrophobicContact CG-CG2 4.22Å |
| 243 | T | 79.5 | Confident | 70.5 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.012 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 127.2 | -176.4 | 61.3 | 0 | 0 | 0 | 0 | 111.3 | T102 H103 T228 W810 | T102-T243 VanDerWaalsContact O-CA 3.29Å; T102-T243 WeakPolarHBondContact O-CA 3.31Å; H103-T243 HydrophobicContact CB-CG2 4.41Å; H103-T243 WeakPolarHBondContact ND1-CG2 3.27Å; T228-T243 WeakPolarHBondContact CA-O 3.44Å; T228-T243 WeakPolarHBondContact CB-O 3.45Å; T228-T243 PolarHBondContact O-N 3.37Å; T243-W810 HydrophobicContact CG2-CH2 3.72Å; T243-W810 HydrophobicContact CG2-CZ2 3.89Å |
| 244 | Y | 85 | Confident | 71.7 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 153.6 | 175.9 | 62.7 | -97.5 | 0 | 0 | 0 | 110.1 | T102 L123 S127 P186 | T102-Y244 HydrophobicContact CG2-CD2 4.18Å; T102-Y244 HydrophobicContact CG2-CE2 3.58Å; T102-Y244 PolarHBondContact N-O 3.23Å; T102-Y244 PolarHBondContact O-N 2.99Å; T102-Y244 WeakPolarHBondContact OG1-CD1 3.48Å; T102-Y244 VanDerWaalsContact OG1-CD2 3.28Å; T102-Y244 WeakPolarHBondContact OG1-CD2 3.32Å; T102-Y244 WeakPolarHBondContact OG1-CE1 2.98Å; T102-Y244 WeakPolarHBondContact OG1-CE2 3.4Å; T102-Y244 VanDerWaalsContact OG1-CG 3.25Å; T102-Y244 PolarHBondContact OG1-O 2.97Å; T102-Y244 VanDerWaalsContact OG1-O 3.13Å; L123-Y244 HydrophobicContact CD2-CE1 4.27Å; S127-Y244 PolarHBondContact N-OH 3.06Å; P186-Y244 HydrophobicContact CG-CD2 3.81Å; P186-Y244 HydrophobicContact CG-CE2 4.48Å; P186-Y244 HydrophobicContact CG-CG 4Å |
| 245 | A | 84.4 | Confident | 72.5 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 129 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q99 I100 V101 F221 F223 | Q99-A245 HydrophobicContact CB-CB 4.38Å; I100-A245 WeakPolarHBondContact O-CA 3.46Å; V101-A245 HydrophobicContact CG2-CB 4.08Å; F221-A245 PolarHBondContact O-N 3.36Å; F223-A245 HydrophobicContact CD2-CB 3.96Å; F223-A245 HydrophobicContact CE2-CB 3.61Å |
| 246 | L | 87.2 | Confident | 73.6 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 134.7 | 156.9 | -148.5 | 80.7 | 0 | 0 | 0 | 107.7 | Q99 I100 I130 V131 V134 M183 A185 L248 | Q99-L246 CarbonylContact C-O 3.48Å; Q99-L246 VanDerWaalsContact CA-O 3.29Å; Q99-L246 WeakPolarHBondContact CA-O 3.45Å; I100-L246 HydrophobicContact CB-CB 4Å; I100-L246 HydrophobicContact CD1-CD2 4.18Å; I100-L246 PolarHBondContact N-O 3Å; I100-L246 PolarHBondContact O-N 3.39Å; I130-L246 HydrophobicContact CG2-CD2 4.13Å; V131-L246 HydrophobicContact CG2-CD1 3.76Å; V131-L246 HydrophobicContact CG2-CD2 4.39Å; V134-L246 HydrophobicContact CG2-CD2 4.35Å; M183-L246 HydrophobicContact SD-CD2 4.17Å; A185-L246 HydrophobicContact CB-CD1 3.43Å; A185-L246 VanDerWaalsContact CB-CD1 3.43Å; L246-L248 HydrophobicContact CD2-CD2 4.2Å; L246-L248 HydrophobicContact CD2-CG 4.43Å |
| 247 | T | 84.4 | Confident | 74.7 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 125.4 | 176.1 | -63.5 | 0 | 0 | 0 | 0 | 109.2 | M97 M183 L184 Y823 W824 | M97-T247 HydrophobicContact CE-CG2 3.78Å; M97-T247 HydrophobicContact CG-CG2 4.48Å; M183-T247 CarbonylContact C-O 3.51Å; M183-T247 WeakPolarHBondContact CA-O 3.24Å; L184-T247 PolarHBondContact N-O 3.34Å; L184-T247 PolarHBondContact O-N 3.25Å; T247-Y823 PolarHBondContact OG1-OH 3.03Å; T247-W824 HydrophobicContact CG2-CZ3 4.08Å |
| 248 | L | 85.2 | Confident | 75.5 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 129.4 | 179.8 | -60.5 | 172.1 | 0 | 0 | 0 | 109.4 | L98 I100 V134 F151 M183 L246 F250 | L98-L248 HydrophobicContact CB-CB 4.4Å; L98-L248 HydrophobicContact CD2-CD1 4.39Å; L98-L248 PolarHBondContact N-O 3.4Å; L98-L248 PolarHBondContact O-N 2.84Å; I100-L248 HydrophobicContact CD1-CD1 3.89Å; V134-L248 HydrophobicContact CG1-CD1 4.2Å; V134-L248 HydrophobicContact CG1-CD2 4.06Å; V134-L248 HydrophobicContact CG2-CD1 4.3Å; F151-L248 HydrophobicContact CE1-CD2 4.5Å; F151-L248 HydrophobicContact CE2-CB 4.27Å; F151-L248 HydrophobicContact CE2-CD2 3.96Å; F151-L248 HydrophobicContact CZ-CD2 3.78Å; M183-L248 HydrophobicContact CB-CD2 4.1Å; M183-L248 HydrophobicContact CG-CD2 3.7Å; M183-L248 HydrophobicContact SD-CD2 3.52Å; M183-L248 VanDerWaalsContact SD-CD2 3.52Å; L246-L248 HydrophobicContact CD2-CD2 4.2Å; L246-L248 HydrophobicContact CD2-CG 4.43Å; L248-F250 HydrophobicContact CB-CD2 4.46Å; L248-F250 HydrophobicContact CB-CE2 3.61Å; L248-F250 HydrophobicContact CB-CZ 4.09Å; L248-F250 HydrophobicContact CD1-CZ 4.34Å |
| 249 | V | 80.8 | Confident | 76.2 | Confident | 7 Ų | 7 | 37.1 Ų | 37.1 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 128.8 | 177.9 | -166.8 | 0 | 0 | 0 | 0 | 110.4 | Y96 M97 F156 L182 | Y96-V249 WeakPolarHBondContact O-CA 3.49Å; M97-V249 HydrophobicContact CE-CG2 3.6Å; F156-V249 HydrophobicContact CB-CB 4.07Å; F156-V249 HydrophobicContact CB-CG1 3.74Å; F156-V249 HydrophobicContact CG-CG1 4.23Å; F156-V249 PolarHBondContact N-O 3.49Å; L182-V249 HydrophobicContact CB-CB 4.2Å; L182-V249 HydrophobicContact CB-CG2 4.44Å; L182-V249 HydrophobicContact CD2-CB 4.11Å; L182-V249 HydrophobicContact CD2-CG1 4.35Å; L182-V249 HydrophobicContact CD2-CG2 3.89Å; L182-V249 HydrophobicContact CG-CB 4.13Å; L182-V249 HydrophobicContact CG-CG2 3.86Å; L182-V249 PolarHBondContact O-N 3.45Å; L182-V249 VanDerWaalsContact O-N 3.14Å |
| 250 | F | 79.4 | Confident | 77 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 143.6 | -176.3 | -60.9 | -96.2 | 0 | 0 | 0 | 110.4 | G95 Y96 L98 F151 I154 L248 F257 F258 | G95-F250 CarbonylContact C-O 3.49Å; G95-F250 VanDerWaalsContact CA-O 3.28Å; G95-F250 WeakPolarHBondContact CA-O 3.38Å; Y96-F250 PolarHBondContact N-O 2.76Å; Y96-F250 PolarHBondContact O-N 2.81Å; L98-F250 HydrophobicContact CB-CE2 3.99Å; L98-F250 HydrophobicContact CD2-CE2 4.37Å; F151-F250 HydrophobicContact CD2-CD1 4.48Å; F151-F250 AromaticContact CD2-CE1 3.63Å; F151-F250 HydrophobicContact CD2-CE1 3.63Å; F151-F250 AromaticContact CD2-CZ 3.93Å; F151-F250 HydrophobicContact CD2-CZ 3.93Å; F151-F250 HydrophobicContact CE2-CD1 4.31Å; F151-F250 AromaticContact CE2-CE1 3.66Å; F151-F250 HydrophobicContact CE2-CE1 3.66Å; F151-F250 HydrophobicContact CE2-CE2 4.39Å; F151-F250 AromaticContact CE2-CZ 3.7Å; F151-F250 HydrophobicContact CE2-CZ 3.7Å; I154-F250 HydrophobicContact CB-CD1 4.25Å; I154-F250 HydrophobicContact CG2-CD1 4.03Å; I154-F250 CarbonylContact O-C 3.55Å; I154-F250 WeakPolarHBondContact O-CA 3.47Å; L248-F250 HydrophobicContact CB-CD2 4.46Å; L248-F250 HydrophobicContact CB-CE2 3.61Å; L248-F250 HydrophobicContact CB-CZ 4.09Å; L248-F250 HydrophobicContact CD1-CZ 4.34Å; F250-F257 HydrophobicContact CE1-CD1 4.42Å; F250-F257 AromaticContact CE1-CE1 3.78Å; F250-F257 HydrophobicContact CE1-CE1 3.78Å; F250-F257 HydrophobicContact CZ-CE1 4.42Å; F250-F258 HydrophobicContact CB-CZ 4.47Å; F250-F258 HydrophobicContact CD1-CE1 4.38Å; F250-F258 HydrophobicContact CD1-CZ 4.13Å; F250-F258 AromaticContact CD2-CE1 3.85Å; F250-F258 HydrophobicContact CD2-CE1 3.85Å; F250-F258 AromaticContact CD2-CZ 3.83Å; F250-F258 HydrophobicContact CD2-CZ 3.83Å; F250-F258 HydrophobicContact CE1-CE1 4.11Å; F250-F258 HydrophobicContact CE1-CZ 4.31Å; F250-F258 AromaticContact CE2-CE1 3.57Å; F250-F258 HydrophobicContact CE2-CE1 3.57Å; F250-F258 HydrophobicContact CE2-CZ 4.04Å; F250-F258 HydrophobicContact CG-CE1 4.26Å; F250-F258 AromaticContact CG-CZ 3.89Å; F250-F258 HydrophobicContact CG-CZ 3.89Å; F250-F258 AromaticContact CZ-CE1 3.7Å; F250-F258 HydrophobicContact CZ-CE1 3.7Å; F250-F258 HydrophobicContact CZ-CZ 4.27Å |
| 251 | R | 77.1 | Confident | 77.6 | Confident | 122 Ų | 122 | 33.6 Ų | 33.6 | 46% | 0.46 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -72.8 | -37.7 | 172.7 | -172 | 179.8 | 70.8 | -141 | -2.9 | 111.6 | I154 | I154-R251 PolarHBondContact O-N 3.32Š|
| 252 | E | 71.1 | Confident | 77.8 | Confident | 66 Ų | 66 | 34 Ų | 34 | 31% | 0.308 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -128.1 | 153.3 | -172.1 | -73.6 | 159 | -134.9 | 0 | 0 | 111.8 | I154 K254 | I154-E252 HydrophobicContact CG2-CB 4.2Å; E252-K254 WeakPolarHBondContact OE2-CE 3.5Å; E252-K254 IonicContact OE2-NZ 2.73Å; E252-K254 PolarHBondContact OE2-NZ 2.86Å |
| 253 | Y | 69.4 | Low | 77.8 | Confident | 109 Ų | 109 | 38 Ų | 38 | 43% | 0.427 | 19% | 0.185 | S | C | . | . | trans | -106.1 | 107.7 | 176.1 | 179.7 | -101.3 | 0 | 0 | 0 | 111.8 | Y96 P255 F258 L843 | Y96-Y253 HydrophobicContact CD1-CD2 4.07Å; Y96-Y253 HydrophobicContact CD1-CG 4.08Å; Y96-Y253 VanDerWaalsContact CE1-CB 3.45Å; Y96-Y253 HydrophobicContact CE1-CD2 4.49Å; Y96-Y253 HydrophobicContact CE1-CG 4.07Å; Y253-P255 HydrophobicContact CE1-CB 3.98Å; Y253-P255 HydrophobicContact CE1-CG 4.2Å; Y253-F258 AromaticContact CD2-CD2 3.71Å; Y253-F258 HydrophobicContact CD2-CD2 3.71Å; Y253-F258 AromaticContact CD2-CE2 3.32Å; Y253-F258 HydrophobicContact CD2-CE2 3.32Å; Y253-F258 HydrophobicContact CD2-CZ 4.25Å; Y253-F258 AromaticContact CE2-CD2 3.59Å; Y253-F258 HydrophobicContact CE2-CD2 3.59Å; Y253-F258 AromaticContact CE2-CE2 3.72Å; Y253-F258 HydrophobicContact CE2-CE2 3.72Å; Y253-F258 HydrophobicContact CG-CE2 4.18Å; Y253-L843 HydrophobicContact CD2-CD1 4.22Å; Y253-L843 HydrophobicContact CD2-CD2 3.81Å; Y253-L843 HydrophobicContact CE2-CD1 4.25Å; Y253-L843 HydrophobicContact CE2-CD2 3.59Å | ||
| 254 | K | 73.3 | Confident | 78 | Confident | 53 Ų | 53 | 41.1 Ų | 41.1 | 23% | 0.23 | 20% | 0.197 | C | C | . | . | trans | -115.8 | 101.8 | 175.2 | -61.3 | -175.3 | -167 | 171.3 | 0 | 109.1 | I154 E252 S256 F257 F258 | I154-K254 HydrophobicContact CD1-CD 4.23Å; E252-K254 WeakPolarHBondContact OE2-CE 3.5Å; E252-K254 IonicContact OE2-NZ 2.73Å; E252-K254 PolarHBondContact OE2-NZ 2.86Å; K254-S256 PolarHBondContact O-N 3.07Å; K254-F257 HydrophobicContact CB-CB 4.09Å; K254-F257 WeakPolarHBondContact O-CB 3.23Å; K254-F257 PolarHBondContact O-N 3.26Å; K254-F258 WeakPolarHBondContact O-CD2 3.5Å; K254-F258 PolarHBondContact O-N 3.3Å | ||
| 255 | P | 68.6 | Low | 77.6 | Confident | 75 Ų | 75 | 41.2 Ų | 41.2 | 49% | 0.487 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.9 | -28.1 | -172 | 23.5 | -33 | 0 | 0 | 0 | 113.5 | Y253 F258 S259 | Y253-P255 HydrophobicContact CE1-CB 3.98Å; Y253-P255 HydrophobicContact CE1-CG 4.2Å; P255-F258 PolarHBondContact O-N 3.33Å; P255-S259 PolarHBondContact O-N 2.99Å; P255-S259 PolarHBondContact O-OG 2.89Å |
| 256 | S | 71 | Confident | 76.9 | Confident | 46 Ų | 46 | 43.3 Ų | 43.3 | 32% | 0.322 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -56.2 | -58.7 | 170.3 | 41.7 | 0 | 0 | 0 | 0 | 111.3 | K254 F258 S259 E260 | K254-S256 PolarHBondContact O-N 3.07Å; S256-F258 VanDerWaalsContact C-N 3.28Å; S256-F258 PolarHBondContact O-N 3.44Å; S256-S259 PolarHBondContact O-N 3.33Å; S256-S259 PolarHBondContact O-OG 3.27Å; S256-E260 PolarHBondContact O-N 3.19Å |
| 257 | F | 79.8 | Confident | 76.3 | Confident | 3 Ų | 3 | 47.4 Ų | 47.4 | 1% | 0.013 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -52.1 | -44.3 | 177.1 | -175.9 | -83.7 | 0 | 0 | 0 | 112.2 | F137 Q149 I154 F250 K254 E260 L261 | F137-F257 HydrophobicContact CD1-CE1 4.4Å; F137-F257 AromaticContact CD1-CE2 3.93Å; F137-F257 HydrophobicContact CD1-CE2 3.93Å; F137-F257 AromaticContact CD1-CZ 3.76Å; F137-F257 HydrophobicContact CD1-CZ 3.76Å; F137-F257 AromaticContact CE1-CD2 3.88Å; F137-F257 HydrophobicContact CE1-CD2 3.88Å; F137-F257 HydrophobicContact CE1-CE1 4.21Å; F137-F257 AromaticContact CE1-CE2 3.56Å; F137-F257 HydrophobicContact CE1-CE2 3.56Å; F137-F257 HydrophobicContact CE1-CG 4.34Å; F137-F257 AromaticContact CE1-CZ 3.73Å; F137-F257 HydrophobicContact CE1-CZ 3.73Å; Q149-F257 HydrophobicContact CB-CD2 4.5Å; I154-F257 HydrophobicContact CD1-CB 4.24Å; I154-F257 HydrophobicContact CD1-CD1 4.17Å; I154-F257 HydrophobicContact CD1-CD2 3.34Å; I154-F257 HydrophobicContact CD1-CE1 4.41Å; I154-F257 HydrophobicContact CD1-CE2 3.61Å; I154-F257 HydrophobicContact CD1-CG 3.66Å; I154-F257 HydrophobicContact CD1-CZ 4.16Å; F250-F257 HydrophobicContact CE1-CD1 4.42Å; F250-F257 AromaticContact CE1-CE1 3.78Å; F250-F257 HydrophobicContact CE1-CE1 3.78Å; F250-F257 HydrophobicContact CZ-CE1 4.42Å; K254-F257 HydrophobicContact CB-CB 4.09Å; K254-F257 WeakPolarHBondContact O-CB 3.23Å; K254-F257 PolarHBondContact O-N 3.26Å; F257-E260 PolarHBondContact O-N 3.07Å; F257-L261 HydrophobicContact CE1-CB 4.4Å; F257-L261 HydrophobicContact CE1-CD2 3.96Å; F257-L261 VanDerWaalsContact O-CB 3.23Å; F257-L261 WeakPolarHBondContact O-CB 3.41Å; F257-L261 PolarHBondContact O-N 2.96Å |
| 258 | F | 75.7 | Confident | 75.8 | Confident | 24 Ų | 24 | 48 Ų | 48 | 11% | 0.105 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.5 | -39 | 177.3 | -71.6 | -66.2 | 0 | 0 | 0 | 113.5 | L98 F250 Y253 K254 P255 S256 R262 L843 | L98-F258 HydrophobicContact CD2-CD1 4.07Å; L98-F258 HydrophobicContact CD2-CE1 4.13Å; F250-F258 HydrophobicContact CB-CZ 4.47Å; F250-F258 HydrophobicContact CD1-CE1 4.38Å; F250-F258 HydrophobicContact CD1-CZ 4.13Å; F250-F258 AromaticContact CD2-CE1 3.85Å; F250-F258 HydrophobicContact CD2-CE1 3.85Å; F250-F258 AromaticContact CD2-CZ 3.83Å; F250-F258 HydrophobicContact CD2-CZ 3.83Å; F250-F258 HydrophobicContact CE1-CE1 4.11Å; F250-F258 HydrophobicContact CE1-CZ 4.31Å; F250-F258 AromaticContact CE2-CE1 3.57Å; F250-F258 HydrophobicContact CE2-CE1 3.57Å; F250-F258 HydrophobicContact CE2-CZ 4.04Å; F250-F258 HydrophobicContact CG-CE1 4.26Å; F250-F258 AromaticContact CG-CZ 3.89Å; F250-F258 HydrophobicContact CG-CZ 3.89Å; F250-F258 AromaticContact CZ-CE1 3.7Å; F250-F258 HydrophobicContact CZ-CE1 3.7Å; F250-F258 HydrophobicContact CZ-CZ 4.27Å; Y253-F258 AromaticContact CD2-CD2 3.71Å; Y253-F258 HydrophobicContact CD2-CD2 3.71Å; Y253-F258 AromaticContact CD2-CE2 3.32Å; Y253-F258 HydrophobicContact CD2-CE2 3.32Å; Y253-F258 HydrophobicContact CD2-CZ 4.25Å; Y253-F258 AromaticContact CE2-CD2 3.59Å; Y253-F258 HydrophobicContact CE2-CD2 3.59Å; Y253-F258 AromaticContact CE2-CE2 3.72Å; Y253-F258 HydrophobicContact CE2-CE2 3.72Å; Y253-F258 HydrophobicContact CG-CE2 4.18Å; K254-F258 WeakPolarHBondContact O-CD2 3.5Å; K254-F258 PolarHBondContact O-N 3.3Å; P255-F258 PolarHBondContact O-N 3.33Å; S256-F258 VanDerWaalsContact C-N 3.28Å; S256-F258 PolarHBondContact O-N 3.44Å; F258-R262 WeakPolarHBondContact O-CB 3.37Å; F258-R262 PolarHBondContact O-N 3.1Å; F258-R262 VanDerWaalsContact O-N 3.11Å; F258-L843 HydrophobicContact CD1-CD1 4.26Å; F258-L843 HydrophobicContact CE1-CD1 3.69Å; F258-L843 HydrophobicContact CE2-CD1 4.06Å; F258-L843 HydrophobicContact CZ-CD1 3.6Å |
| 259 | S | 70.4 | Confident | 74.9 | Confident | 57 Ų | 57 | 48.9 Ų | 48.9 | 40% | 0.399 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -67.4 | -40.6 | 175.5 | 55.6 | 0 | 0 | 0 | 0 | 112.6 | P255 S256 D263 | P255-S259 PolarHBondContact O-N 2.99Å; P255-S259 PolarHBondContact O-OG 2.89Å; S256-S259 PolarHBondContact O-N 3.33Å; S256-S259 PolarHBondContact O-OG 3.27Å; S259-D263 WeakPolarHBondContact O-CB 3.17Å; S259-D263 PolarHBondContact O-N 3.42Å |
| 260 | E | 80.7 | Confident | 74.1 | Confident | 55 Ų | 55 | 53.7 Ų | 53.7 | 26% | 0.257 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -71.7 | -44.1 | 179.2 | -67.6 | -177.9 | 165.7 | 0 | 0 | 112.6 | F137 S139 S140 S256 F257 R262 D263 Y264 | F137-E260 HydrophobicContact CE2-CB 4.1Å; F137-E260 HydrophobicContact CZ-CB 3.61Å; S139-E260 WeakPolarHBondContact CA-OE2 3.37Å; S139-E260 VanDerWaalsContact CB-OE2 3.27Å; S139-E260 WeakPolarHBondContact CB-OE2 3.42Å; S139-E260 PolarHBondContact OG-OE2 3.41Å; S140-E260 WeakPolarHBondContact CB-OE1 3.21Å; S140-E260 PolarHBondContact N-OE2 3.35Å; S140-E260 PolarHBondContact OG-OE1 3.44Å; S256-E260 PolarHBondContact O-N 3.19Å; F257-E260 PolarHBondContact O-N 3.07Å; E260-R262 VanDerWaalsContact C-N 3.29Å; E260-R262 PolarHBondContact O-N 3.29Å; E260-D263 PolarHBondContact O-N 3.43Å; E260-Y264 VanDerWaalsContact O-CB 3.23Å; E260-Y264 WeakPolarHBondContact O-CB 3.15Å; E260-Y264 PolarHBondContact O-N 3.34Å |
| 261 | L | 81.3 | Confident | 73 | Confident | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.5 | -43.4 | 174.5 | 173.3 | 62.4 | 0 | 0 | 0 | 110.7 | F137 F257 L265 | F137-L261 HydrophobicContact CB-CD1 3.76Å; F137-L261 HydrophobicContact CD1-CB 3.89Å; F137-L261 HydrophobicContact CD1-CD1 3.67Å; F137-L261 HydrophobicContact CD1-CG 4.3Å; F137-L261 HydrophobicContact CD2-CD1 4.27Å; F137-L261 HydrophobicContact CE1-CB 3.73Å; F137-L261 HydrophobicContact CE1-CD1 4.4Å; F137-L261 HydrophobicContact CE2-CB 4.48Å; F137-L261 HydrophobicContact CG-CB 4.33Å; F137-L261 HydrophobicContact CG-CD1 3.59Å; F137-L261 HydrophobicContact CZ-CB 4.06Å; F137-L261 VanDerWaalsContact CZ-N 3.32Å; F257-L261 HydrophobicContact CE1-CB 4.4Å; F257-L261 HydrophobicContact CE1-CD2 3.96Å; F257-L261 VanDerWaalsContact O-CB 3.23Å; F257-L261 WeakPolarHBondContact O-CB 3.41Å; F257-L261 PolarHBondContact O-N 2.96Å; L261-L265 HydrophobicContact CD1-CD1 3.88Å; L261-L265 HydrophobicContact CD1-CG 4.14Å; L261-L265 HydrophobicContact CG-CD1 3.99Å; L261-L265 WeakPolarHBondContact O-CB 3.33Å; L261-L265 VanDerWaalsContact O-CG 3.22Å; L261-L265 WeakPolarHBondContact O-CG 3.3Å; L261-L265 PolarHBondContact O-N 3.12Å |
| 262 | R | 74.2 | Confident | 72 | Confident | 87 Ų | 87 | 56.5 Ų | 56.5 | 33% | 0.328 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.1 | -50 | 176.8 | -179.3 | -164.1 | 107.7 | 155.1 | 14.1 | 111.6 | F258 E260 L265 I266 | F258-R262 WeakPolarHBondContact O-CB 3.37Å; F258-R262 PolarHBondContact O-N 3.1Å; F258-R262 VanDerWaalsContact O-N 3.11Å; E260-R262 VanDerWaalsContact C-N 3.29Å; E260-R262 PolarHBondContact O-N 3.29Å; R262-L265 PolarHBondContact O-N 3.26Å; R262-I266 HydrophobicContact CG-CD1 4.16Å; R262-I266 WeakPolarHBondContact O-CG1 3.25Å; R262-I266 PolarHBondContact O-N 3.06Å |
| 263 | D | 75.5 | Confident | 71 | Confident | 83 Ų | 83 | 57.8 Ų | 57.8 | 44% | 0.444 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -74.1 | -31 | -175.1 | -69.6 | -7.7 | 0 | 0 | 0 | 111.2 | S259 E260 I266 D267 | S259-D263 WeakPolarHBondContact O-CB 3.17Å; S259-D263 PolarHBondContact O-N 3.42Å; E260-D263 PolarHBondContact O-N 3.43Å; D263-I266 PolarHBondContact O-N 2.86Å; D263-D267 PolarHBondContact O-N 3.47Å |
| 264 | Y | 83.2 | Confident | 69.7 | Low | 68 Ų | 68 | 56.6 Ų | 56.6 | 27% | 0.267 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 167.9 | 174.3 | -98.4 | 0 | 0 | 0 | 112.9 | L133 F137 E260 I266 D267 S268 | L133-Y264 HydrophobicContact CB-CE1 4.33Å; L133-Y264 HydrophobicContact CD2-CE1 4.07Å; L133-Y264 WeakPolarHBondContact O-CE1 3.39Å; F137-Y264 HydrophobicContact CB-CD1 4.04Å; F137-Y264 HydrophobicContact CB-CE1 4.07Å; F137-Y264 AromaticContact CD2-CD1 3.63Å; F137-Y264 HydrophobicContact CD2-CD1 3.63Å; F137-Y264 HydrophobicContact CD2-CD2 4.26Å; F137-Y264 HydrophobicContact CD2-CE1 4.31Å; F137-Y264 AromaticContact CD2-CG 3.6Å; F137-Y264 HydrophobicContact CD2-CG 3.6Å; F137-Y264 HydrophobicContact CE2-CG 4.22Å; F137-Y264 HydrophobicContact CG-CD1 4.23Å; E260-Y264 VanDerWaalsContact O-CB 3.23Å; E260-Y264 WeakPolarHBondContact O-CB 3.15Å; E260-Y264 PolarHBondContact O-N 3.34Å; Y264-I266 PolarHBondContact O-N 2.66Å; Y264-D267 PolarHBondContact O-N 3.13Å; Y264-S268 WeakPolarHBondContact CE2-OG 3.28Å; Y264-S268 WeakPolarHBondContact O-CB 3.43Å; Y264-S268 PolarHBondContact O-N 3.24Å; Y264-S268 PolarHBondContact O-OG 3.48Å |
| 265 | L | 77 | Confident | 68 | Low | 4 Ų | 4 | 58.7 Ų | 58.7 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.7 | -21.3 | 174.3 | -75 | 170.2 | 0 | 0 | 0 | 112.9 | I100 L133 L261 R262 M269 | I100-L265 HydrophobicContact CD1-CD1 3.82Å; L133-L265 HydrophobicContact CB-CD2 3.97Å; L133-L265 HydrophobicContact CD1-CD2 4.49Å; L261-L265 HydrophobicContact CD1-CD1 3.88Å; L261-L265 HydrophobicContact CD1-CG 4.14Å; L261-L265 HydrophobicContact CG-CD1 3.99Å; L261-L265 WeakPolarHBondContact O-CB 3.33Å; L261-L265 VanDerWaalsContact O-CG 3.22Å; L261-L265 WeakPolarHBondContact O-CG 3.3Å; L261-L265 PolarHBondContact O-N 3.12Å; R262-L265 PolarHBondContact O-N 3.26Å; L265-M269 WeakPolarHBondContact O-CB 3.41Å; L265-M269 WeakPolarHBondContact O-CG 3.38Å |
| 266 | I | 70.3 | Confident | 66.8 | Low | 44 Ų | 44 | 58.8 Ų | 58.8 | 23% | 0.226 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -79.1 | -52.9 | 171.7 | -70 | 164.7 | 0 | 0 | 0 | 109.9 | R262 D263 Y264 M269 E270 L299 | R262-I266 HydrophobicContact CG-CD1 4.16Å; R262-I266 WeakPolarHBondContact O-CG1 3.25Å; R262-I266 PolarHBondContact O-N 3.06Å; D263-I266 PolarHBondContact O-N 2.86Å; Y264-I266 PolarHBondContact O-N 2.66Å; I266-M269 PolarHBondContact O-N 2.95Å; I266-E270 PolarHBondContact O-N 3.48Å; I266-L299 HydrophobicContact CD1-CD2 4.05Å; I266-L299 HydrophobicContact CG1-CD2 4.3Å |
| 267 | D | 73.3 | Confident | 65 | Low | 87 Ų | 87 | 60.3 Ų | 60.3 | 47% | 0.465 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.1 | -45.9 | -175.8 | -176.3 | 73.8 | 0 | 0 | 0 | 112.9 | D263 Y264 M269 E270 N271 | D263-D267 PolarHBondContact O-N 3.47Å; Y264-D267 PolarHBondContact O-N 3.13Å; D267-M269 PolarHBondContact O-N 2.91Å; D267-E270 PolarHBondContact O-N 3.07Å; D267-E270 VanDerWaalsContact O-N 3.14Å; D267-N271 WeakPolarHBondContact O-CB 3.45Å; D267-N271 PolarHBondContact O-N 3.36Å; D267-N271 PolarHBondContact O-ND2 3.42Å; D267-N271 PolarHBondContact OD1-ND2 2.86Å; D267-N271 PolarHBondContact OD2-ND2 2.71Å |
| 268 | S | 74.4 | Confident | 63.2 | Low | 15 Ų | 15 | 65.5 Ų | 65.5 | 11% | 0.105 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.4 | -34.5 | 178.9 | -61.1 | 0 | 0 | 0 | 0 | 112.5 | Y264 R272 | Y264-S268 WeakPolarHBondContact CE2-OG 3.28Å; Y264-S268 WeakPolarHBondContact O-CB 3.43Å; Y264-S268 PolarHBondContact O-N 3.24Å; Y264-S268 PolarHBondContact O-OG 3.48Å; S268-R272 WeakPolarHBondContact O-CG 3.31Å; S268-R272 PolarHBondContact O-N 3.13Å |
| 269 | M | 65.9 | Low | 61.3 | Low | 17 Ų | 17 | 68.1 Ų | 68.1 | 8% | 0.084 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -83.4 | -27.6 | 179.5 | -64.6 | -57.9 | -43.3 | 0 | 0 | 113 | L133 L265 I266 D267 Y850 | L133-M269 HydrophobicContact CD1-CG 4.39Å; L133-M269 HydrophobicContact CD1-SD 3.53Å; L133-M269 VanDerWaalsContact CD1-SD 3.53Å; L265-M269 WeakPolarHBondContact O-CB 3.41Å; L265-M269 WeakPolarHBondContact O-CG 3.38Å; I266-M269 PolarHBondContact O-N 2.95Å; D267-M269 PolarHBondContact O-N 2.91Å; M269-Y850 HydrophobicContact CE-CE1 3.69Å |
| 270 | E | 64.2 | Low | 59.5 | Low | 109 Ų | 109 | 72.5 Ų | 72.5 | 51% | 0.509 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -74.7 | -38.6 | 172.8 | -157.5 | -168.8 | 111.8 | 0 | 0 | 111.5 | I266 D267 K274 | I266-E270 PolarHBondContact O-N 3.48Å; D267-E270 PolarHBondContact O-N 3.07Å; D267-E270 VanDerWaalsContact O-N 3.14Å; E270-K274 WeakPolarHBondContact O-CE 3.12Å; E270-K274 VanDerWaalsContact OE1-CE 3.29Å; E270-K274 WeakPolarHBondContact OE1-CE 3.34Å; E270-K274 IonicContact OE1-NZ 3.76Å; E270-K274 PolarHBondContact OE1-NZ 2.93Å |
| 271 | N | 57.3 | Low | 57.4 | Low | 56 Ų | 56 | 78 Ų | 78 | 30% | 0.299 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -78.5 | -46.4 | -172.9 | -68.3 | -30.3 | 0 | 0 | 0 | 113.2 | D267 H273 K274 | D267-N271 WeakPolarHBondContact O-CB 3.45Å; D267-N271 PolarHBondContact O-N 3.36Å; D267-N271 PolarHBondContact O-ND2 3.42Å; D267-N271 PolarHBondContact OD1-ND2 2.86Å; D267-N271 PolarHBondContact OD2-ND2 2.71Å; N271-H273 PolarHBondContact O-N 3.07Å; N271-K274 WeakPolarHBondContact O-CB 3.37Å; N271-K274 PolarHBondContact O-N 3.22Å; N271-K274 PolarHBondContact OD1-NZ 2.96Å |
| 272 | R | 55.1 | Low | 55.3 | Low | 125 Ų | 125 | 83.5 Ų | 83.5 | 47% | 0.472 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -17 | 179.2 | -68.6 | -173 | -170.3 | -164.7 | 7.1 | 114.3 | S268 | S268-R272 WeakPolarHBondContact O-CG 3.31Å; S268-R272 PolarHBondContact O-N 3.13Å |
| 273 | H | 50 | Low | 53.3 | Low | 93 Ų | 93 | 90.1 Ų | 90.1 | 43% | 0.431 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -3.4 | 174.1 | -80.6 | 20.1 | 0 | 0 | 0 | 114.1 | N271 N277 | N271-H273 PolarHBondContact O-N 3.07Å; H273-N277 PolarHBondContact O-ND2 3.44Å |
| 274 | K | 41.6 | Very low | 51.3 | Low | 84 Ų | 84 | 95.7 Ų | 95.7 | 37% | 0.365 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -42 | 169.3 | -65.8 | 166.1 | -167.4 | 163.8 | 0 | 110.7 | E270 N271 V276 N277 I278 | E270-K274 WeakPolarHBondContact O-CE 3.12Å; E270-K274 VanDerWaalsContact OE1-CE 3.29Å; E270-K274 WeakPolarHBondContact OE1-CE 3.34Å; E270-K274 IonicContact OE1-NZ 3.76Å; E270-K274 PolarHBondContact OE1-NZ 2.93Å; N271-K274 WeakPolarHBondContact O-CB 3.37Å; N271-K274 PolarHBondContact O-N 3.22Å; N271-K274 PolarHBondContact OD1-NZ 2.96Å; K274-V276 VanDerWaalsContact C-N 3.27Å; K274-V276 PolarHBondContact O-N 3.25Å; K274-N277 WeakPolarHBondContact O-CB 3.45Å; K274-N277 PolarHBondContact O-N 3.36Å; K274-N277 PolarHBondContact O-ND2 2.61Å; K274-I278 PolarHBondContact O-N 3.38Å |
| 275 | D | 39.6 | Very low | 48.9 | Very low | 96 Ų | 96 | 100 Ų | 100 | 51% | 0.513 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.9 | -29 | -176.6 | -54.5 | -37.8 | 0 | 0 | 0 | 113.6 | N277 I278 S279 | D275-N277 VanDerWaalsContact C-N 3.3Å; D275-N277 PolarHBondContact O-N 2.88Å; D275-I278 PolarHBondContact O-N 3.43Å; D275-S279 PolarHBondContact O-N 2.89Å; D275-S279 PolarHBondContact O-OG 3.15Å |
| 276 | V | 42.7 | Very low | 46.9 | Very low | 77 Ų | 77 | 106.6 Ų | 106.6 | 47% | 0.467 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.4 | -30.7 | 173.9 | 179.6 | 0 | 0 | 0 | 0 | 112.2 | K274 S279 | K274-V276 VanDerWaalsContact C-N 3.27Å; K274-V276 PolarHBondContact O-N 3.25Å; V276-S279 PolarHBondContact O-OG 3.44Å |
| 277 | N | 33.6 | Very low | 45.2 | Very low | 78 Ų | 78 | 112.2 Ų | 112.2 | 42% | 0.417 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -74.4 | -45 | 177.6 | -54 | -52.5 | 0 | 0 | 0 | 110.6 | H273 K274 D275 S279 M280 E281 | H273-N277 PolarHBondContact O-ND2 3.44Å; K274-N277 WeakPolarHBondContact O-CB 3.45Å; K274-N277 PolarHBondContact O-N 3.36Å; K274-N277 PolarHBondContact O-ND2 2.61Å; D275-N277 VanDerWaalsContact C-N 3.3Å; D275-N277 PolarHBondContact O-N 2.88Å; N277-S279 PolarHBondContact O-N 3.36Å; N277-M280 PolarHBondContact O-N 2.95Å; N277-M280 VanDerWaalsContact O-N 3.12Å; N277-E281 WeakPolarHBondContact O-CB 3.12Å; N277-E281 PolarHBondContact O-N 3.45Å; N277-E281 VanDerWaalsContact O-N 3.08Å |
| 278 | I | 40.4 | Very low | 43.1 | Very low | 113 Ų | 113 | 114.1 Ų | 114.1 | 58% | 0.579 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -59.5 | -31.9 | -178.2 | -59.8 | 172 | 0 | 0 | 0 | 111.7 | K274 D275 T282 | K274-I278 PolarHBondContact O-N 3.38Å; D275-I278 PolarHBondContact O-N 3.43Å; I278-T282 PolarHBondContact O-OG1 2.65Å |
| 279 | S | 36.4 | Very low | 40.9 | Very low | 78 Ų | 78 | 117.9 Ų | 117.9 | 55% | 0.545 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -87.1 | -14 | -179.6 | 47.5 | 0 | 0 | 0 | 0 | 115.2 | D275 V276 N277 | D275-S279 PolarHBondContact O-N 2.89Å; D275-S279 PolarHBondContact O-OG 3.15Å; V276-S279 PolarHBondContact O-OG 3.44Å; N277-S279 PolarHBondContact O-N 3.36Å |
| 280 | M | 33.6 | Very low | 39.2 | Very low | 149 Ų | 149 | 124.7 Ų | 124.7 | 73% | 0.734 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -95.7 | -33.9 | 172.4 | -78.6 | -163.4 | 168.8 | 0 | 0 | 113.5 | N277 T282 R283 | N277-M280 PolarHBondContact O-N 2.95Å; N277-M280 VanDerWaalsContact O-N 3.12Å; M280-T282 PolarHBondContact O-N 2.96Å; M280-T282 VanDerWaalsContact O-N 3.11Å; M280-R283 PolarHBondContact O-N 3.27Å |
| 281 | E | 35.1 | Very low | 37.5 | Very low | 172 Ų | 172 | 126.1 Ų | 126.1 | 80% | 0.804 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -10.2 | -171.4 | -161 | 159.6 | -140.5 | 0 | 0 | 114 | N277 | N277-E281 WeakPolarHBondContact O-CB 3.12Å; N277-E281 PolarHBondContact O-N 3.45Å; N277-E281 VanDerWaalsContact O-N 3.08Å |
| 282 | T | 37.3 | Very low | 36.2 | Very low | 118 Ų | 118 | 127.7 Ų | 127.7 | 72% | 0.724 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | 1.7 | -175.1 | 43.1 | 0 | 0 | 0 | 0 | 115.5 | I278 M280 | I278-T282 PolarHBondContact O-OG1 2.65Å; M280-T282 PolarHBondContact O-N 2.96Å; M280-T282 VanDerWaalsContact O-N 3.11Å |
| 283 | R | 33.7 | Very low | 35 | Very low | 227 Ų | 227 | 126.3 Ų | 126.3 | 86% | 0.857 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -132.6 | 5.5 | -165.9 | -134.9 | 174.8 | -172.5 | 168.3 | 2.1 | 118.8 | M280 | M280-R283 PolarHBondContact O-N 3.27Š|
| 284 | K | 32.6 | Very low | 34.3 | Very low | 200 Ų | 200 | 126 Ų | 126 | 87% | 0.87 | 69% | 0.686 | S | S | * | * | trans | -137.3 | 67.9 | 171.6 | -73.3 | -161.9 | 172.3 | -169.6 | 0 | 113.5 | ||||
| 285 | L | 33.3 | Very low | 33.8 | Very low | 158 Ų | 158 | 124.9 Ų | 124.9 | 83% | 0.827 | 70% | 0.698 | S | S | * | * | trans | -61.5 | 151.5 | 146 | -158 | 73.9 | 0 | 0 | 0 | 108.2 | ||||
| 286 | N | 34.3 | Very low | 33.4 | Very low | 143 Ų | 143 | 126.4 Ų | 126.4 | 77% | 0.765 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 61.9 | 70.1 | 179.1 | -53.7 | -9.6 | 0 | 0 | 0 | 115.6 | ||
| 287 | D | 34.3 | Very low | 33 | Very low | 162 Ų | 162 | 126.1 Ų | 126.1 | 87% | 0.866 | 70% | 0.697 | S | S | * | * | -165 | 156.3 | 113.7 | -115.4 | -30.6 | 0 | 0 | 0 | 112.8 | |||||
| 288 | T | 29.8 | Very low | 32.9 | Very low | 127 Ų | 127 | 128.8 Ų | 128.8 | 78% | 0.779 | 71% | 0.705 | S | S | * | * | trans | -90.2 | 144.1 | -171.4 | 48.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 289 | S | 29.1 | Very low | 32.4 | Very low | 94 Ų | 94 | 126.8 Ų | 126.8 | 66% | 0.657 | 70% | 0.695 | S | S | * | * | S | Bend | trans | 89.6 | 119.4 | 167.2 | 82.9 | 0 | 0 | 0 | 0 | 119 | ||
| 290 | N | 28.9 | Very low | 32.3 | Very low | 160 Ų | 160 | 128.1 Ų | 128.1 | 86% | 0.856 | 70% | 0.7 | S | S | * | * | trans | 73.2 | 36.5 | 145.5 | -55.3 | -28.9 | 0 | 0 | 0 | 120.5 | ||||
| 291 | T | 28.7 | Very low | 32.3 | Very low | 139 Ų | 139 | 126.6 Ų | 126.6 | 85% | 0.853 | 69% | 0.686 | S | S | * | * | trans | -132.6 | 95.9 | 164.6 | 55.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 292 | A | 29.8 | Very low | 32.3 | Very low | 89 Ų | 89 | 128.8 Ų | 128.8 | 74% | 0.736 | 69% | 0.688 | S | S | * | * | trans | -151.5 | 115.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 293 | S | 31.2 | Very low | 32.5 | Very low | 95 Ų | 95 | 126.8 Ų | 126.8 | 66% | 0.664 | 68% | 0.679 | S | S | * | * | cis | 84.8 | 56.4 | 48.5 | 78.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 294 | V | 34.9 | Very low | 32.9 | Very low | 88 Ų | 88 | 123.7 Ų | 123.7 | 53% | 0.533 | 68% | 0.68 | S | S | . | * | trans | -136.4 | 116.2 | 165.5 | -164.8 | 0 | 0 | 0 | 0 | 112.1 | H296 | V294-H296 WeakPolarHBondContact CG1-NE2 3.04Š| ||
| 295 | G | 30.1 | Very low | 33.4 | Very low | 59 Ų | 59 | 122 Ų | 122 | 61% | 0.608 | 67% | 0.668 | S | S | * | * | trans | -105.6 | 78.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | I297 | G295-I297 PolarHBondContact O-N 2.84Š| ||
| 296 | H | 31 | Very low | 34.1 | Very low | 129 Ų | 129 | 118.1 Ų | 118.1 | 60% | 0.597 | 65% | 0.654 | S | S | * | * | trans | -76.4 | 112.7 | 175.3 | -70.6 | -60.5 | 0 | 0 | 0 | 112.5 | V294 F298 | V294-H296 WeakPolarHBondContact CG1-NE2 3.04Å; H296-F298 HydrophobicContact CB-CD2 4.14Å; H296-F298 HydrophobicContact CB-CE2 3.51Å; H296-F298 HydrophobicContact CB-CZ 3.96Å; H296-F298 WeakPolarHBondContact O-CD2 3.38Å | ||
| 297 | I | 34.1 | Very low | 35.1 | Very low | 71 Ų | 71 | 117 Ų | 117 | 36% | 0.364 | 64% | 0.64 | S | S | . | * | trans | -73.4 | 132.2 | 162.9 | -63.9 | 174.4 | 0 | 0 | 0 | 108.2 | G295 | G295-I297 PolarHBondContact O-N 2.84Š| ||
| 298 | F | 32.8 | Very low | 36.1 | Very low | 133 Ų | 133 | 118.3 Ų | 118.3 | 58% | 0.583 | 64% | 0.638 | S | S | * | * | trans | -120 | 101 | 177 | -73.3 | -86.6 | 0 | 0 | 0 | 109.8 | H296 | H296-F298 HydrophobicContact CB-CD2 4.14Å; H296-F298 HydrophobicContact CB-CE2 3.51Å; H296-F298 HydrophobicContact CB-CZ 3.96Å; H296-F298 WeakPolarHBondContact O-CD2 3.38Å | ||
| 299 | L | 28.9 | Very low | 37.4 | Very low | 72 Ų | 72 | 114.8 Ų | 114.8 | 38% | 0.377 | 62% | 0.622 | S | S | . | * | trans | -83.7 | 117.6 | 179 | -158.1 | 71.4 | 0 | 0 | 0 | 109.8 | I266 W301 H847 | I266-L299 HydrophobicContact CD1-CD2 4.05Å; I266-L299 HydrophobicContact CG1-CD2 4.3Å; L299-W301 VanDerWaalsContact CD2-NE1 3.27Å; L299-H847 VanDerWaalsContact CD1-O 3.3Å; L299-H847 WeakPolarHBondContact CD1-O 3.25Å | ||
| 300 | V | 35.2 | Very low | 38.8 | Very low | 106 Ų | 106 | 113.5 Ų | 113.5 | 64% | 0.642 | 61% | 0.608 | S | S | * | * | trans | -106.8 | 110.2 | -177.4 | 179.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 301 | W | 32.4 | Very low | 40.5 | Very low | 117 Ų | 117 | 111 Ų | 111 | 44% | 0.443 | 59% | 0.587 | S | S | . | * | trans | -99.5 | 125.9 | 177.5 | -83.6 | 86.7 | 0 | 0 | 0 | 111.8 | L299 | L299-W301 VanDerWaalsContact CD2-NE1 3.27Š| ||
| 302 | Y | 36.6 | Very low | 42.4 | Very low | 218 Ų | 218 | 106.8 Ų | 106.8 | 86% | 0.855 | 57% | 0.567 | S | S | * | * | trans | -103.2 | 110.3 | 160.2 | -102.9 | -86.4 | 0 | 0 | 0 | 107.7 | ||||
| 303 | S | 41.5 | Very low | 44.3 | Very low | 75 Ų | 75 | 105.9 Ų | 105.9 | 52% | 0.524 | 55% | 0.553 | S | S | . | * | trans | -154.3 | 129.1 | 174.6 | -179.7 | 0 | 0 | 0 | 0 | 107.3 | R305 | S303-R305 PolarHBondContact O-N 2.71Š| ||
| 304 | D | 41.9 | Very low | 46 | Very low | 163 Ų | 163 | 103.2 Ų | 103.2 | 87% | 0.872 | 53% | 0.531 | S | S | * | . | trans | -75.5 | 64.2 | -175.8 | -82.6 | -27.6 | 0 | 0 | 0 | 111.8 | S306 | D304-S306 VanDerWaalsContact C-N 3.35Å; D304-S306 PolarHBondContact O-N 3.21Å | ||
| 305 | R | 41.9 | Very low | 47.6 | Very low | 163 Ų | 163 | 104.5 Ų | 104.5 | 62% | 0.615 | 54% | 0.535 | S | S | * | . | trans | -73.9 | 90.1 | 164.5 | -79.3 | -171.4 | 166.4 | 170.2 | -0.2 | 109.4 | E62 S303 Y307 | E62-R305 IonicContact OE1-NE 3.84Å; E62-R305 IonicContact OE1-NH2 3.71Å; S303-R305 PolarHBondContact O-N 2.71Å; R305-Y307 WeakPolarHBondContact O-CD2 3.31Å; R305-Y307 WeakPolarHBondContact O-CE2 3.35Å; R305-Y307 PolarHBondContact O-N 3.32Å; R305-Y307 VanDerWaalsContact O-N 3.09Å | ||
| 306 | S | 49.1 | Very low | 49.7 | Very low | 77 Ų | 77 | 108.1 Ų | 108.1 | 54% | 0.538 | 53% | 0.534 | S | S | . | . | trans | -50.8 | 112.8 | 168.5 | -50.3 | 0 | 0 | 0 | 0 | 110.2 | D304 | D304-S306 VanDerWaalsContact C-N 3.35Å; D304-S306 PolarHBondContact O-N 3.21Å | ||
| 307 | Y | 54.5 | Low | 51.8 | Low | 119 Ų | 119 | 103.3 Ų | 103.3 | 47% | 0.467 | 51% | 0.512 | S | S | . | . | trans | -81.4 | 154 | 178.4 | -75.8 | -91.2 | 0 | 0 | 0 | 110 | R305 A309 D310 T916 | R305-Y307 WeakPolarHBondContact O-CD2 3.31Å; R305-Y307 WeakPolarHBondContact O-CE2 3.35Å; R305-Y307 PolarHBondContact O-N 3.32Å; R305-Y307 VanDerWaalsContact O-N 3.09Å; Y307-A309 PolarHBondContact O-N 2.8Å; Y307-D310 WeakPolarHBondContact CA-OD2 3.42Å; Y307-D310 WeakPolarHBondContact CB-OD2 3.01Å; Y307-D310 PolarHBondContact N-OD2 3.43Å; Y307-D310 PolarHBondContact O-N 3.35Å; Y307-T916 HydrophobicContact CD2-CG2 4.31Å | ||
| 308 | F | 55.7 | Low | 53.6 | Low | 190 Ų | 190 | 103.2 Ų | 103.2 | 83% | 0.833 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -17.3 | 172.8 | -124.9 | -80.7 | 0 | 0 | 0 | 113.3 | ||
| 309 | A | 56.7 | Low | 55.6 | Low | 53 Ų | 53 | 100.1 Ų | 100.1 | 44% | 0.438 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -37.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y307 Y311 A312 | Y307-A309 PolarHBondContact O-N 2.8Å; A309-Y311 VanDerWaalsContact C-N 3.29Å; A309-Y311 PolarHBondContact O-N 3.29Å; A309-A312 VanDerWaalsContact O-CB 3.3Å; A309-A312 WeakPolarHBondContact O-CB 3.31Å; A309-A312 PolarHBondContact O-N 2.82Å; A309-A312 VanDerWaalsContact O-N 3.13Å |
| 310 | D | 57.9 | Low | 57.9 | Low | 68 Ų | 68 | 100.5 Ų | 100.5 | 36% | 0.364 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -31.3 | -176.2 | -51.8 | -55.2 | 0 | 0 | 0 | 110.8 | Y307 P313 T916 | Y307-D310 WeakPolarHBondContact CA-OD2 3.42Å; Y307-D310 WeakPolarHBondContact CB-OD2 3.01Å; Y307-D310 PolarHBondContact N-OD2 3.43Å; Y307-D310 PolarHBondContact O-N 3.35Å; D310-P313 WeakPolarHBondContact O-CD 3.28Å; D310-T916 PolarHBondContact OD1-OG1 2.84Å |
| 311 | Y | 65.3 | Low | 59.6 | Low | 106 Ų | 106 | 96.4 Ų | 96.4 | 42% | 0.416 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -13.4 | 173 | -63.2 | -67.5 | 0 | 0 | 0 | 114.9 | A309 L314 L315 | A309-Y311 VanDerWaalsContact C-N 3.29Å; A309-Y311 PolarHBondContact O-N 3.29Å; Y311-L314 WeakPolarHBondContact O-CB 3.3Å; Y311-L314 PolarHBondContact O-N 3.43Å; Y311-L314 VanDerWaalsContact O-N 3.16Å; Y311-L315 PolarHBondContact O-N 2.77Å; Y311-L315 VanDerWaalsContact O-N 3.13Å |
| 312 | A | 68.2 | Low | 61.5 | Low | 52 Ų | 52 | 95.7 Ų | 95.7 | 43% | 0.43 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.2 | -39 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | A309 L314 L315 F316 | A309-A312 VanDerWaalsContact O-CB 3.3Å; A309-A312 WeakPolarHBondContact O-CB 3.31Å; A309-A312 PolarHBondContact O-N 2.82Å; A309-A312 VanDerWaalsContact O-N 3.13Å; A312-L314 VanDerWaalsContact C-N 3.3Å; A312-L314 PolarHBondContact O-N 2.86Å; A312-L315 PolarHBondContact O-N 3.41Å; A312-F316 PolarHBondContact O-N 2.85Å; A312-F316 VanDerWaalsContact O-N 3.12Å |
| 313 | P | 70.8 | Confident | 63.3 | Low | 69 Ų | 69 | 89.4 Ų | 89.4 | 45% | 0.448 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.4 | -36.9 | 173.7 | -21.9 | 34.3 | 0 | 0 | 0 | 112.6 | D310 F316 I317 | D310-P313 WeakPolarHBondContact O-CD 3.28Å; P313-F316 PolarHBondContact O-N 3.3Å; P313-I317 WeakPolarHBondContact O-CD1 3.15Å; P313-I317 VanDerWaalsContact O-CG1 3.32Å; P313-I317 WeakPolarHBondContact O-CG1 3.19Å; P313-I317 PolarHBondContact O-N 3.46Å |
| 314 | L | 65.9 | Low | 64.9 | Low | 40 Ų | 40 | 90.9 Ų | 90.9 | 21% | 0.209 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -66.9 | -45 | -179.7 | -165.8 | 72.7 | 0 | 0 | 0 | 111.1 | Y311 A312 F316 I317 Y318 E374 | Y311-L314 WeakPolarHBondContact O-CB 3.3Å; Y311-L314 PolarHBondContact O-N 3.43Å; Y311-L314 VanDerWaalsContact O-N 3.16Å; A312-L314 VanDerWaalsContact C-N 3.3Å; A312-L314 PolarHBondContact O-N 2.86Å; L314-F316 VanDerWaalsContact C-N 3.31Å; L314-F316 PolarHBondContact O-N 3.45Å; L314-I317 WeakPolarHBondContact O-CB 3.25Å; L314-I317 PolarHBondContact O-N 2.73Å; L314-Y318 HydrophobicContact CD1-CE2 4.18Å; L314-Y318 HydrophobicContact CD2-CE2 4.16Å; L314-Y318 HydrophobicContact CG-CD2 4.22Å; L314-Y318 HydrophobicContact CG-CE2 3.76Å; L314-Y318 VanDerWaalsContact O-CD2 3.23Å; L314-Y318 WeakPolarHBondContact O-CD2 3.34Å; L314-Y318 PolarHBondContact O-N 3.25Å; L314-Y318 VanDerWaalsContact O-N 3.1Å; L314-E374 HydrophobicContact CD1-CB 4.01Å; L314-E374 HydrophobicContact CD2-CB 3.81Å; L314-E374 HydrophobicContact CD2-CG 4.03Å |
| 315 | L | 69.3 | Low | 66.3 | Low | 115 Ų | 115 | 83.3 Ų | 83.3 | 60% | 0.602 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -59.3 | -41.7 | 173.9 | -176.4 | 148.6 | 0 | 0 | 0 | 111.7 | Y311 A312 I317 Y318 V319 | Y311-L315 PolarHBondContact O-N 2.77Å; Y311-L315 VanDerWaalsContact O-N 3.13Å; A312-L315 PolarHBondContact O-N 3.41Å; L315-I317 VanDerWaalsContact C-N 3.33Å; L315-I317 PolarHBondContact O-N 3.43Å; L315-Y318 PolarHBondContact O-N 3.33Å; L315-V319 HydrophobicContact CD2-CG2 4.24Å; L315-V319 WeakPolarHBondContact O-CG2 3.41Å; L315-V319 PolarHBondContact O-N 3.23Å |
| 316 | F | 74.5 | Confident | 67.7 | Low | 134 Ų | 134 | 77.5 Ų | 77.5 | 59% | 0.588 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.8 | -37.7 | 176.6 | -174.7 | -111.6 | 0 | 0 | 0 | 112.7 | A312 P313 L314 V319 I320 | A312-F316 PolarHBondContact O-N 2.85Å; A312-F316 VanDerWaalsContact O-N 3.12Å; P313-F316 PolarHBondContact O-N 3.3Å; L314-F316 VanDerWaalsContact C-N 3.31Å; L314-F316 PolarHBondContact O-N 3.45Å; F316-V319 PolarHBondContact O-N 3.21Å; F316-I320 HydrophobicContact CD1-CD1 3.85Å; F316-I320 HydrophobicContact CE1-CD1 3.48Å; F316-I320 VanDerWaalsContact CE1-CD1 3.48Å; F316-I320 HydrophobicContact CE1-CG1 4.48Å; F316-I320 HydrophobicContact CZ-CD1 3.87Å; F316-I320 WeakPolarHBondContact O-CG1 3.41Å; F316-I320 PolarHBondContact O-N 3.24Å |
| 317 | I | 75.4 | Confident | 68.9 | Low | 29 Ų | 29 | 79.6 Ų | 79.6 | 15% | 0.149 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.3 | -44.3 | 174.8 | -68.5 | 156.4 | 0 | 0 | 0 | 111.1 | P313 L314 L315 V319 I320 L321 Y378 T925 | P313-I317 WeakPolarHBondContact O-CD1 3.15Å; P313-I317 VanDerWaalsContact O-CG1 3.32Å; P313-I317 WeakPolarHBondContact O-CG1 3.19Å; P313-I317 PolarHBondContact O-N 3.46Å; L314-I317 WeakPolarHBondContact O-CB 3.25Å; L314-I317 PolarHBondContact O-N 2.73Å; L315-I317 VanDerWaalsContact C-N 3.33Å; L315-I317 PolarHBondContact O-N 3.43Å; I317-V319 VanDerWaalsContact C-N 3.34Å; I317-V319 PolarHBondContact O-N 3.39Å; I317-I320 PolarHBondContact O-N 3.43Å; I317-L321 WeakPolarHBondContact O-CB 3.37Å; I317-L321 PolarHBondContact O-N 2.95Å; I317-Y378 HydrophobicContact CG2-CD2 4.14Å; I317-Y378 HydrophobicContact CG2-CE2 4.1Å; I317-T925 HydrophobicContact CD1-CG2 4.4Å; I317-T925 WeakPolarHBondContact CD1-OG1 3.25Å |
| 318 | Y | 71.8 | Confident | 69.8 | Low | 68 Ų | 68 | 75.6 Ų | 75.6 | 27% | 0.267 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.7 | -35.4 | 176.4 | -74.2 | -64.5 | 0 | 0 | 0 | 112.7 | L314 L315 L321 L322 E374 Y378 | L314-Y318 HydrophobicContact CD1-CE2 4.18Å; L314-Y318 HydrophobicContact CD2-CE2 4.16Å; L314-Y318 HydrophobicContact CG-CD2 4.22Å; L314-Y318 HydrophobicContact CG-CE2 3.76Å; L314-Y318 VanDerWaalsContact O-CD2 3.23Å; L314-Y318 WeakPolarHBondContact O-CD2 3.34Å; L314-Y318 PolarHBondContact O-N 3.25Å; L314-Y318 VanDerWaalsContact O-N 3.1Å; L315-Y318 PolarHBondContact O-N 3.33Å; Y318-L321 HydrophobicContact CD1-CD2 4.4Å; Y318-L321 PolarHBondContact O-N 2.93Å; Y318-L322 WeakPolarHBondContact O-CB 3.34Å; Y318-L322 PolarHBondContact O-N 3.37Å; Y318-E374 PolarHBondContact OH-O 2.87Å; Y318-Y378 PolarHBondContact OH-N 3.01Å; Y318-Y378 VanDerWaalsContact OH-N 3.12Å |
| 319 | V | 74.5 | Confident | 70.4 | Confident | 68 Ų | 68 | 67 Ų | 67 | 41% | 0.412 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.7 | -42 | 172.5 | 171.6 | 0 | 0 | 0 | 0 | 111.7 | L315 F316 I317 L321 L322 L323 | L315-V319 HydrophobicContact CD2-CG2 4.24Å; L315-V319 WeakPolarHBondContact O-CG2 3.41Å; L315-V319 PolarHBondContact O-N 3.23Å; F316-V319 PolarHBondContact O-N 3.21Å; I317-V319 VanDerWaalsContact C-N 3.34Å; I317-V319 PolarHBondContact O-N 3.39Å; V319-L321 VanDerWaalsContact C-N 3.34Å; V319-L321 PolarHBondContact O-N 3.18Å; V319-L322 PolarHBondContact O-N 3.14Å; V319-L323 HydrophobicContact CG1-CD1 4.21Å; V319-L323 WeakPolarHBondContact O-CG 3.47Å; V319-L323 PolarHBondContact O-N 3.06Å |
| 320 | I | 76.7 | Confident | 70.9 | Confident | 80 Ų | 80 | 70.5 Ų | 70.5 | 41% | 0.41 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 174.1 | -72 | 171.2 | 0 | 0 | 0 | 111.1 | F316 I317 L323 Y324 | F316-I320 HydrophobicContact CD1-CD1 3.85Å; F316-I320 HydrophobicContact CE1-CD1 3.48Å; F316-I320 VanDerWaalsContact CE1-CD1 3.48Å; F316-I320 HydrophobicContact CE1-CG1 4.48Å; F316-I320 HydrophobicContact CZ-CD1 3.87Å; F316-I320 WeakPolarHBondContact O-CG1 3.41Å; F316-I320 PolarHBondContact O-N 3.24Å; I317-I320 PolarHBondContact O-N 3.43Å; I320-L323 PolarHBondContact O-N 2.67Å; I320-Y324 WeakPolarHBondContact O-CB 3.44Å; I320-Y324 PolarHBondContact O-N 2.93Å |
| 321 | L | 71.9 | Confident | 71.4 | Confident | 20 Ų | 20 | 75.8 Ų | 75.8 | 11% | 0.105 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 178.2 | -171.7 | 59.8 | 0 | 0 | 0 | 111.5 | I317 Y318 V319 L323 Y324 V325 Y378 V381 | I317-L321 WeakPolarHBondContact O-CB 3.37Å; I317-L321 PolarHBondContact O-N 2.95Å; Y318-L321 HydrophobicContact CD1-CD2 4.4Å; Y318-L321 PolarHBondContact O-N 2.93Å; V319-L321 VanDerWaalsContact C-N 3.34Å; V319-L321 PolarHBondContact O-N 3.18Å; L321-L323 PolarHBondContact O-N 3.39Å; L321-Y324 WeakPolarHBondContact O-CB 3.3Å; L321-Y324 PolarHBondContact O-N 3.31Å; L321-V325 WeakPolarHBondContact O-CG2 3.29Å; L321-V325 PolarHBondContact O-N 3.05Å; L321-Y378 HydrophobicContact CD2-CD2 3.88Å; L321-Y378 HydrophobicContact CD2-CE2 4.05Å; L321-V381 HydrophobicContact CD2-CB 4.13Å; L321-V381 HydrophobicContact CD2-CG1 3.54Å; L321-V381 HydrophobicContact CG-CG1 4.2Å |
| 322 | L | 72.4 | Confident | 71.3 | Confident | 103 Ų | 103 | 72.4 Ų | 72.4 | 54% | 0.539 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62 | -40.6 | 174.2 | -174.8 | 66.9 | 0 | 0 | 0 | 112.3 | Y318 V319 V325 Y326 | Y318-L322 WeakPolarHBondContact O-CB 3.34Å; Y318-L322 PolarHBondContact O-N 3.37Å; V319-L322 PolarHBondContact O-N 3.14Å; L322-V325 WeakPolarHBondContact O-CB 3.44Å; L322-V325 PolarHBondContact O-N 3.03Å; L322-Y326 WeakPolarHBondContact O-CB 3.45Å; L322-Y326 PolarHBondContact O-N 3.49Å |
| 323 | L | 72.7 | Confident | 70.8 | Confident | 85 Ų | 85 | 78.7 Ų | 78.7 | 45% | 0.445 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.2 | -41 | 173.7 | -73.2 | 168.6 | 0 | 0 | 0 | 111.9 | V319 I320 L321 Y326 F327 | V319-L323 HydrophobicContact CG1-CD1 4.21Å; V319-L323 WeakPolarHBondContact O-CG 3.47Å; V319-L323 PolarHBondContact O-N 3.06Å; I320-L323 PolarHBondContact O-N 2.67Å; L321-L323 PolarHBondContact O-N 3.39Å; L323-Y326 WeakPolarHBondContact O-CB 3.44Å; L323-Y326 PolarHBondContact O-N 2.73Å; L323-F327 WeakPolarHBondContact O-CD2 3.09Å; L323-F327 PolarHBondContact O-N 3.44Å |
| 324 | Y | 76.9 | Confident | 70.3 | Confident | 106 Ų | 106 | 79.3 Ų | 79.3 | 42% | 0.416 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 174.9 | 172.1 | -101.1 | 0 | 0 | 0 | 112.1 | I320 L321 F327 S328 F385 | I320-Y324 WeakPolarHBondContact O-CB 3.44Å; I320-Y324 PolarHBondContact O-N 2.93Å; L321-Y324 WeakPolarHBondContact O-CB 3.3Å; L321-Y324 PolarHBondContact O-N 3.31Å; Y324-F327 PolarHBondContact O-N 3.3Å; Y324-S328 VanDerWaalsContact O-CB 3.26Å; Y324-S328 WeakPolarHBondContact O-CB 3.27Å; Y324-S328 PolarHBondContact O-N 3.42Å; Y324-S328 PolarHBondContact O-OG 2.75Å; Y324-F385 HydrophobicContact CD1-CE1 4.18Å; Y324-F385 HydrophobicContact CE1-CD1 4.37Å; Y324-F385 AromaticContact CE1-CE1 3.94Å; Y324-F385 HydrophobicContact CE1-CE1 3.94Å |
| 325 | V | 71.2 | Confident | 69.7 | Low | 5 Ų | 5 | 78.3 Ų | 78.3 | 3% | 0.03 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -56 | -52.6 | 171.9 | 166.3 | 0 | 0 | 0 | 0 | 110.3 | L321 L322 F327 S328 V329 F385 | L321-V325 WeakPolarHBondContact O-CG2 3.29Å; L321-V325 PolarHBondContact O-N 3.05Å; L322-V325 WeakPolarHBondContact O-CB 3.44Å; L322-V325 PolarHBondContact O-N 3.03Å; V325-F327 PolarHBondContact O-N 2.9Å; V325-S328 PolarHBondContact O-N 2.88Å; V325-V329 WeakPolarHBondContact O-CG2 3.36Å; V325-V329 PolarHBondContact O-N 3.38Å; V325-F385 HydrophobicContact CB-CE1 4.16Å; V325-F385 HydrophobicContact CB-CE2 4.14Å; V325-F385 HydrophobicContact CB-CZ 3.87Å; V325-F385 HydrophobicContact CG1-CD2 4.25Å; V325-F385 HydrophobicContact CG1-CE2 3.66Å; V325-F385 HydrophobicContact CG1-CZ 3.83Å; V325-F385 HydrophobicContact CG2-CD1 3.73Å; V325-F385 HydrophobicContact CG2-CD2 4Å; V325-F385 HydrophobicContact CG2-CE1 3.61Å; V325-F385 HydrophobicContact CG2-CE2 3.92Å; V325-F385 HydrophobicContact CG2-CG 3.92Å; V325-F385 HydrophobicContact CG2-CZ 3.73Å |
| 326 | Y | 70.9 | Confident | 69.1 | Low | 41 Ų | 41 | 79 Ų | 79 | 16% | 0.161 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58 | -48.1 | 179.5 | 176.8 | -100.8 | 0 | 0 | 0 | 113.2 | L322 L323 S328 R330 W339 | L322-Y326 WeakPolarHBondContact O-CB 3.45Å; L322-Y326 PolarHBondContact O-N 3.49Å; L323-Y326 WeakPolarHBondContact O-CB 3.44Å; L323-Y326 PolarHBondContact O-N 2.73Å; Y326-S328 VanDerWaalsContact C-N 3.34Å; Y326-S328 PolarHBondContact O-N 3.44Å; Y326-R330 HydrophobicContact CE1-CG 4.39Å; Y326-R330 WeakPolarHBondContact O-CB 3.38Å; Y326-R330 PolarHBondContact O-N 3.47Å; Y326-R330 VanDerWaalsContact OH-CZ 3.27Å; Y326-R330 PolarHBondContact OH-NE 3.45Å; Y326-R330 VanDerWaalsContact OH-NE 3.14Å; Y326-R330 PolarHBondContact OH-NH2 3.35Å; Y326-W339 AromaticContact CE2-CD2 3.89Å; Y326-W339 HydrophobicContact CE2-CD2 3.89Å; Y326-W339 AromaticContact CE2-CE2 3.65Å; Y326-W339 HydrophobicContact CE2-CE3 4.21Å; Y326-W339 HydrophobicContact CE2-CG 4.48Å; Y326-W339 HydrophobicContact CE2-CH2 4.11Å; Y326-W339 AromaticContact CE2-CZ2 3.77Å; Y326-W339 HydrophobicContact CE2-CZ2 3.77Å; Y326-W339 HydrophobicContact CE2-CZ3 4.31Å; Y326-W339 AromaticContact CZ-CZ2 4Å |
| 327 | F | 73.9 | Confident | 68.5 | Low | 121 Ų | 121 | 75.1 Ų | 75.1 | 53% | 0.531 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67 | -33.5 | 178.1 | -77.7 | -63.7 | 0 | 0 | 0 | 112.8 | L323 Y324 V325 | L323-F327 WeakPolarHBondContact O-CD2 3.09Å; L323-F327 PolarHBondContact O-N 3.44Å; Y324-F327 PolarHBondContact O-N 3.3Å; V325-F327 PolarHBondContact O-N 2.9Å |
| 328 | S | 74 | Confident | 68.3 | Low | 35 Ų | 35 | 77 Ų | 77 | 25% | 0.245 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.6 | -46.9 | 177.1 | -63.1 | 0 | 0 | 0 | 0 | 111.9 | Y324 V325 Y326 K331 | Y324-S328 VanDerWaalsContact O-CB 3.26Å; Y324-S328 WeakPolarHBondContact O-CB 3.27Å; Y324-S328 PolarHBondContact O-N 3.42Å; Y324-S328 PolarHBondContact O-OG 2.75Å; V325-S328 PolarHBondContact O-N 2.88Å; Y326-S328 VanDerWaalsContact C-N 3.34Å; Y326-S328 PolarHBondContact O-N 3.44Å; S328-K331 PolarHBondContact O-N 3.35Å |
| 329 | V | 68.1 | Low | 68.2 | Low | 10 Ų | 10 | 82.2 Ų | 82.2 | 6% | 0.061 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.3 | -36.8 | 176 | 176.3 | 0 | 0 | 0 | 0 | 111.3 | V325 K331 L332 L341 A342 F385 | V325-V329 WeakPolarHBondContact O-CG2 3.36Å; V325-V329 PolarHBondContact O-N 3.38Å; V329-K331 PolarHBondContact O-N 3.16Å; V329-L332 PolarHBondContact O-N 3.37Å; V329-L341 HydrophobicContact CG1-CB 4.35Å; V329-L341 HydrophobicContact CG1-CD2 4.36Å; V329-A342 HydrophobicContact CB-CB 4.21Å; V329-A342 HydrophobicContact CG1-CB 4.21Å; V329-A342 HydrophobicContact CG2-CB 4.17Å; V329-F385 HydrophobicContact CG2-CE2 4.39Å |
| 330 | R | 66.7 | Low | 68.3 | Low | 125 Ų | 125 | 80.5 Ų | 80.5 | 47% | 0.472 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -53 | -29.5 | 177.8 | -109.1 | -177.2 | 165.5 | -167.8 | -4.3 | 114.4 | Y326 L332 K338 | Y326-R330 HydrophobicContact CE1-CG 4.39Å; Y326-R330 WeakPolarHBondContact O-CB 3.38Å; Y326-R330 PolarHBondContact O-N 3.47Å; Y326-R330 VanDerWaalsContact OH-CZ 3.27Å; Y326-R330 PolarHBondContact OH-NE 3.45Å; Y326-R330 VanDerWaalsContact OH-NE 3.14Å; Y326-R330 PolarHBondContact OH-NH2 3.35Å; R330-L332 VanDerWaalsContact C-N 3.34Å; R330-K338 PolarHBondContact O-NZ 3.49Å |
| 331 | K | 67.4 | Low | 68.4 | Low | 179 Ų | 179 | 76.9 Ų | 76.9 | 78% | 0.778 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -10.5 | -177.8 | -165.9 | 174.7 | 178.2 | -178 | 0 | 113.9 | S328 V329 | S328-K331 PolarHBondContact O-N 3.35Å; V329-K331 PolarHBondContact O-N 3.16Å |
| 332 | L | 64.1 | Low | 68.5 | Low | 36 Ų | 36 | 76.3 Ų | 76.3 | 19% | 0.188 | 36% | 0.36 | C | S | . | . | trans | -78.8 | 126 | 171.7 | -58 | 176.3 | 0 | 0 | 0 | 109 | V329 R330 K338 T392 | V329-L332 PolarHBondContact O-N 3.37Å; R330-L332 VanDerWaalsContact C-N 3.34Å; L332-K338 WeakPolarHBondContact O-CE 3.49Å; L332-K338 PolarHBondContact O-NZ 3.32Å; L332-T392 HydrophobicContact CD1-CG2 3.72Å | ||
| 333 | E | 57.9 | Low | 69 | Low | 184 Ų | 184 | 76.8 Ų | 76.8 | 86% | 0.86 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -93.2 | -6.9 | -170.8 | -65.1 | -175 | 153.1 | 0 | 0 | 113.9 | ||
| 334 | M | 59.4 | Low | 69.6 | Low | 82 Ų | 82 | 73.2 Ų | 73.2 | 40% | 0.404 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -107.8 | 53.8 | -179.7 | -57.6 | -166.1 | -148.1 | 0 | 0 | 113.4 | V396 M474 | M334-V396 HydrophobicContact CB-CG1 4.14Å; M334-V396 HydrophobicContact CE-CG1 3.92Å; M334-V396 WeakPolarHBondContact CE-O 3.45Å; M334-V396 HydrophobicContact CG-CG1 4.12Å; M334-V396 HydrophobicContact SD-CG1 3.83Å; M334-M474 HydrophobicContact CB-CE 4.18Å; M334-M474 WeakPolarHBondContact O-CE 3.21Å; M334-M474 VanDerWaalsContact O-SD 3.35Å |
| 335 | V | 54.9 | Low | 69.9 | Low | 18 Ų | 18 | 68.4 Ų | 68.4 | 11% | 0.109 | 33% | 0.326 | C | S | . | . | trans | -148.3 | 122.1 | 175.3 | -167 | 0 | 0 | 0 | 0 | 111.3 | K338 L341 D470 | V335-K338 HydrophobicContact CB-CG 4.41Å; V335-L341 HydrophobicContact CG1-CB 4.39Å; V335-L341 HydrophobicContact CG1-CD2 4.44Å; V335-L341 HydrophobicContact CG2-CD2 3.81Å; V335-D470 VanDerWaalsContact CG1-OD2 3.23Å; V335-D470 WeakPolarHBondContact CG1-OD2 3.46Å | ||
| 336 | K | 54.9 | Low | 70.4 | Confident | 129 Ų | 129 | 70 Ų | 70 | 56% | 0.561 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -69.3 | -38.9 | 177.6 | -157.2 | -176.6 | -163.3 | -169 | 0 | 112.7 | M474 S477 | K336-M474 HydrophobicContact CB-CG 4.38Å; K336-S477 VanDerWaalsContact CD-OG 3.29Å; K336-S477 WeakPolarHBondContact CD-OG 3.27Å; K336-S477 PolarHBondContact NZ-OG 3.34Å |
| 337 | S | 62.2 | Low | 71.1 | Confident | 53 Ų | 53 | 71.1 Ų | 71.1 | 37% | 0.371 | 35% | 0.348 | S | S | . | . | trans | -113.1 | 80.8 | 175 | -170.2 | 0 | 0 | 0 | 0 | 112.1 | W339 G340 L341 | S337-W339 PolarHBondContact O-N 2.99Å; S337-G340 PolarHBondContact O-N 2.92Å; S337-G340 PolarHBondContact OG-N 2.88Å; S337-L341 PolarHBondContact O-N 2.79Å | ||
| 338 | K | 71.2 | Confident | 71.9 | Confident | 68 Ų | 68 | 65.3 Ų | 65.3 | 30% | 0.296 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58 | -22.1 | 177.4 | -53.8 | -162.4 | -176.5 | -153 | 0 | 113.8 | R330 L332 V335 | R330-K338 PolarHBondContact O-NZ 3.49Å; L332-K338 WeakPolarHBondContact O-CE 3.49Å; L332-K338 PolarHBondContact O-NZ 3.32Å; V335-K338 HydrophobicContact CB-CG 4.41Å |
| 339 | W | 70.6 | Confident | 72.4 | Confident | 179 Ų | 179 | 64 Ų | 64 | 68% | 0.678 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -74.7 | -40.3 | 171.7 | -76.2 | 89.1 | 0 | 0 | 0 | 112.7 | Y326 S337 A342 L343 | Y326-W339 AromaticContact CE2-CD2 3.89Å; Y326-W339 HydrophobicContact CE2-CD2 3.89Å; Y326-W339 AromaticContact CE2-CE2 3.65Å; Y326-W339 HydrophobicContact CE2-CE3 4.21Å; Y326-W339 HydrophobicContact CE2-CG 4.48Å; Y326-W339 HydrophobicContact CE2-CH2 4.11Å; Y326-W339 AromaticContact CE2-CZ2 3.77Å; Y326-W339 HydrophobicContact CE2-CZ2 3.77Å; Y326-W339 HydrophobicContact CE2-CZ3 4.31Å; Y326-W339 AromaticContact CZ-CZ2 4Å; S337-W339 PolarHBondContact O-N 2.99Å; W339-A342 PolarHBondContact O-N 3.06Å; W339-L343 WeakPolarHBondContact O-CB 3.27Å; W339-L343 PolarHBondContact O-N 3.04Å |
| 340 | G | 75.6 | Confident | 73.2 | Confident | 31 Ų | 31 | 65.6 Ų | 65.6 | 32% | 0.32 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63 | -44.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S337 L343 S344 | S337-G340 PolarHBondContact O-N 2.92Å; S337-G340 PolarHBondContact OG-N 2.88Å; G340-L343 PolarHBondContact O-N 3.38Å; G340-S344 PolarHBondContact O-N 3.31Å; G340-S344 PolarHBondContact O-OG 3.49Å |
| 341 | L | 78.4 | Confident | 74.2 | Confident | 4 Ų | 4 | 60.2 Ų | 60.2 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.5 | -33.9 | 178.4 | -171 | 64.6 | 0 | 0 | 0 | 113.2 | V329 V335 S337 S344 A345 T392 F463 L467 | V329-L341 HydrophobicContact CG1-CB 4.35Å; V329-L341 HydrophobicContact CG1-CD2 4.36Å; V335-L341 HydrophobicContact CG1-CB 4.39Å; V335-L341 HydrophobicContact CG1-CD2 4.44Å; V335-L341 HydrophobicContact CG2-CD2 3.81Å; S337-L341 PolarHBondContact O-N 2.79Å; L341-S344 PolarHBondContact O-OG 2.85Å; L341-S344 VanDerWaalsContact O-OG 3.13Å; L341-A345 WeakPolarHBondContact O-CB 3.42Å; L341-A345 PolarHBondContact O-N 2.77Å; L341-T392 HydrophobicContact CD2-CG2 3.99Å; L341-F463 HydrophobicContact CD1-CE2 3.85Å; L341-F463 HydrophobicContact CD1-CZ 3.69Å; L341-L467 HydrophobicContact CD1-CD1 4.05Å |
| 342 | A | 76.1 | Confident | 75.3 | Confident | 9 Ų | 9 | 51.7 Ų | 51.7 | 7% | 0.074 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.3 | -41.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V329 W339 A345 C346 | V329-A342 HydrophobicContact CB-CB 4.21Å; V329-A342 HydrophobicContact CG1-CB 4.21Å; V329-A342 HydrophobicContact CG2-CB 4.17Å; W339-A342 PolarHBondContact O-N 3.06Å; A342-A345 PolarHBondContact O-N 3.41Å; A342-C346 PolarHBondContact O-N 2.94Å; A342-C346 VanDerWaalsContact O-N 3.09Å; A342-C346 PolarHBondContact O-SG 2.71Å; A342-C346 VanDerWaalsContact O-SG 3.4Å |
| 343 | L | 81.4 | Confident | 76.3 | Confident | 113 Ų | 113 | 51.2 Ų | 51.2 | 59% | 0.592 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -64.9 | -44.1 | 177.1 | -176.5 | 64.4 | 0 | 0 | 0 | 111.7 | W339 G340 A345 C346 V347 | W339-L343 WeakPolarHBondContact O-CB 3.27Å; W339-L343 PolarHBondContact O-N 3.04Å; G340-L343 PolarHBondContact O-N 3.38Å; L343-A345 VanDerWaalsContact C-N 3.34Å; L343-A345 PolarHBondContact O-N 3.44Å; L343-C346 PolarHBondContact O-N 2.89Å; L343-V347 HydrophobicContact CD1-CG2 4.31Å; L343-V347 HydrophobicContact CG-CG2 4.38Å; L343-V347 WeakPolarHBondContact O-CB 3.1Å; L343-V347 VanDerWaalsContact O-CG2 3.31Å; L343-V347 WeakPolarHBondContact O-CG2 3.46Å; L343-V347 PolarHBondContact O-N 3.37Å |
| 344 | S | 85.2 | Confident | 77.6 | Confident | 10 Ų | 10 | 47.9 Ų | 47.9 | 7% | 0.07 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.8 | -37.6 | 178.2 | 66.2 | 0 | 0 | 0 | 0 | 112.3 | G340 L341 V347 T348 | G340-S344 PolarHBondContact O-N 3.31Å; G340-S344 PolarHBondContact O-OG 3.49Å; L341-S344 PolarHBondContact O-OG 2.85Å; L341-S344 VanDerWaalsContact O-OG 3.13Å; S344-V347 PolarHBondContact O-N 3.12Å; S344-T348 WeakPolarHBondContact O-CB 3.41Å; S344-T348 PolarHBondContact O-N 3.37Å; S344-T348 PolarHBondContact O-OG1 3.08Å |
| 345 | A | 82.9 | Confident | 79 | Confident | 4 Ų | 4 | 44.5 Ų | 44.5 | 3% | 0.033 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.9 | -49.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L341 A342 L343 V347 T348 V349 V388 F463 | L341-A345 WeakPolarHBondContact O-CB 3.42Å; L341-A345 PolarHBondContact O-N 2.77Å; A342-A345 PolarHBondContact O-N 3.41Å; L343-A345 VanDerWaalsContact C-N 3.34Å; L343-A345 PolarHBondContact O-N 3.44Å; A345-V347 PolarHBondContact O-N 3.21Å; A345-T348 PolarHBondContact O-N 3.47Å; A345-V349 PolarHBondContact O-N 3.37Å; A345-V388 HydrophobicContact CB-CG1 3.74Å; A345-F463 HydrophobicContact CB-CE2 4.29Å |
| 346 | C | 82.5 | Confident | 80.5 | Confident | 40 Ų | 40 | 43.7 Ų | 43.7 | 27% | 0.27 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.6 | -40.8 | 177 | -68.9 | 0 | 0 | 0 | 0 | 112.9 | A342 L343 V349 A350 | A342-C346 PolarHBondContact O-N 2.94Å; A342-C346 VanDerWaalsContact O-N 3.09Å; A342-C346 PolarHBondContact O-SG 2.71Å; A342-C346 VanDerWaalsContact O-SG 3.4Å; L343-C346 PolarHBondContact O-N 2.89Å; C346-V349 PolarHBondContact O-N 3.23Å; C346-A350 WeakPolarHBondContact O-CB 3.09Å; C346-A350 PolarHBondContact O-N 3.28Å |
| 347 | V | 86.3 | Confident | 81.8 | Confident | 63 Ų | 63 | 40.2 Ų | 40.2 | 38% | 0.382 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.3 | -38.6 | 177.4 | 170.1 | 0 | 0 | 0 | 0 | 111.5 | L343 S344 A345 V349 A350 A351 F462 | L343-V347 HydrophobicContact CD1-CG2 4.31Å; L343-V347 HydrophobicContact CG-CG2 4.38Å; L343-V347 WeakPolarHBondContact O-CB 3.1Å; L343-V347 VanDerWaalsContact O-CG2 3.31Å; L343-V347 WeakPolarHBondContact O-CG2 3.46Å; L343-V347 PolarHBondContact O-N 3.37Å; S344-V347 PolarHBondContact O-N 3.12Å; A345-V347 PolarHBondContact O-N 3.21Å; V347-V349 VanDerWaalsContact C-N 3.32Å; V347-V349 PolarHBondContact O-N 3.33Å; V347-A350 PolarHBondContact O-N 3.49Å; V347-A351 WeakPolarHBondContact O-CB 3.38Å; V347-A351 PolarHBondContact O-N 2.81Å; V347-F462 HydrophobicContact CB-CE1 4.47Å; V347-F462 HydrophobicContact CG1-CE1 3.85Å; V347-F462 HydrophobicContact CG1-CZ 3.98Å |
| 348 | T | 89.4 | Confident | 82.9 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.8 | -46.8 | 176.4 | -54.2 | 0 | 0 | 0 | 0 | 111 | S344 A345 S352 L458 Q459 F462 F463 | S344-T348 WeakPolarHBondContact O-CB 3.41Å; S344-T348 PolarHBondContact O-N 3.37Å; S344-T348 PolarHBondContact O-OG1 3.08Å; A345-T348 PolarHBondContact O-N 3.47Å; T348-S352 PolarHBondContact O-N 3.14Å; T348-S352 PolarHBondContact O-OG 3.21Å; T348-L458 HydrophobicContact CG2-CB 3.84Å; T348-Q459 HydrophobicContact CG2-CG 4.15Å; T348-F462 WeakPolarHBondContact OG1-CD1 3.35Å; T348-F463 HydrophobicContact CG2-CB 4.29Å |
| 349 | V | 85.7 | Confident | 83.6 | Confident | 8 Ų | 8 | 36.4 Ų | 36.4 | 5% | 0.048 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -73.6 | -37 | -179 | 169.3 | 0 | 0 | 0 | 0 | 112.9 | A345 C346 V347 S352 L353 V381 | A345-V349 PolarHBondContact O-N 3.37Å; C346-V349 PolarHBondContact O-N 3.23Å; V347-V349 VanDerWaalsContact C-N 3.32Å; V347-V349 PolarHBondContact O-N 3.33Å; V349-S352 PolarHBondContact O-OG 2.93Å; V349-L353 PolarHBondContact O-N 3.35Å; V349-V381 HydrophobicContact CG1-CB 3.91Å; V349-V381 HydrophobicContact CG1-CG1 4.19Å; V349-V381 HydrophobicContact CG1-CG2 3.47Å; V349-V381 VanDerWaalsContact CG1-CG2 3.47Å |
| 350 | A | 84.2 | Confident | 84.1 | Confident | 42 Ų | 42 | 28.7 Ų | 28.7 | 35% | 0.347 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -67.2 | -40.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | C346 V347 L353 F354 | C346-A350 WeakPolarHBondContact O-CB 3.09Å; C346-A350 PolarHBondContact O-N 3.28Å; V347-A350 PolarHBondContact O-N 3.49Å; A350-L353 PolarHBondContact O-N 2.66Å; A350-F354 HydrophobicContact CB-CE2 4.48Å; A350-F354 WeakPolarHBondContact O-CD2 3.07Å; A350-F354 PolarHBondContact O-N 2.84Å; A350-F354 VanDerWaalsContact O-N 3.09Å |
| 351 | A | 88.3 | Confident | 84.2 | Confident | 13 Ų | 13 | 29.8 Ų | 29.8 | 11% | 0.107 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.7 | -37.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | M47 V347 L353 F354 M355 L458 | M47-A351 HydrophobicContact CE-CB 3.77Å; M47-A351 HydrophobicContact SD-CB 4.07Å; V347-A351 WeakPolarHBondContact O-CB 3.38Å; V347-A351 PolarHBondContact O-N 2.81Å; A351-L353 VanDerWaalsContact C-N 3.34Å; A351-L353 PolarHBondContact O-N 3.12Å; A351-F354 PolarHBondContact O-N 3.16Å; A351-M355 WeakPolarHBondContact O-CB 3.37Å; A351-M355 PolarHBondContact O-N 3.44Å; A351-L458 HydrophobicContact CB-CD1 3.7Å |
| 352 | S | 89.8 | Confident | 84.3 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.7 | -38.1 | 176.2 | 56.6 | 0 | 0 | 0 | 0 | 112.3 | T348 V349 S356 T454 | T348-S352 PolarHBondContact O-N 3.14Å; T348-S352 PolarHBondContact O-OG 3.21Å; V349-S352 PolarHBondContact O-OG 2.93Å; S352-S356 WeakPolarHBondContact O-CB 3.29Å; S352-S356 PolarHBondContact O-N 2.95Å; S352-S356 PolarHBondContact O-OG 2.93Å; S352-T454 PolarHBondContact O-OG1 3.19Å |
| 353 | L | 84.9 | Confident | 84.4 | Confident | 26 Ų | 26 | 38.5 Ų | 38.5 | 14% | 0.136 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.3 | -50.7 | 173.5 | -76.2 | 168.2 | 0 | 0 | 0 | 112.5 | V349 A350 A351 S356 I357 F376 P377 V380 V381 | V349-L353 PolarHBondContact O-N 3.35Å; A350-L353 PolarHBondContact O-N 2.66Å; A351-L353 VanDerWaalsContact C-N 3.34Å; A351-L353 PolarHBondContact O-N 3.12Å; L353-S356 PolarHBondContact O-N 3.37Å; L353-S356 PolarHBondContact O-OG 3.09Å; L353-I357 WeakPolarHBondContact O-CG1 3.3Å; L353-I357 PolarHBondContact O-N 2.98Å; L353-F376 HydrophobicContact CD2-CD1 4.31Å; L353-F376 HydrophobicContact CD2-CE1 3.88Å; L353-P377 HydrophobicContact CD1-CB 4.05Å; L353-P377 HydrophobicContact CD2-CB 4.45Å; L353-V380 HydrophobicContact CD2-CB 3.94Å; L353-V380 HydrophobicContact CD2-CG1 3.92Å; L353-V380 HydrophobicContact CD2-CG2 4.03Å; L353-V380 HydrophobicContact CG-CB 4.46Å; L353-V380 HydrophobicContact CG-CG1 4.05Å; L353-V381 HydrophobicContact CD1-CG2 4.37Å |
| 354 | F | 86.4 | Confident | 83.7 | Confident | 113 Ų | 113 | 36.1 Ų | 36.1 | 50% | 0.496 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.6 | -44.9 | 177.4 | -68.7 | -58.5 | 0 | 0 | 0 | 111.7 | L54 A350 A351 S356 I357 G358 | L54-F354 WeakPolarHBondContact CD1-O 3.48Å; L54-F354 HydrophobicContact CD2-CD1 3.91Å; A350-F354 HydrophobicContact CB-CE2 4.48Å; A350-F354 WeakPolarHBondContact O-CD2 3.07Å; A350-F354 PolarHBondContact O-N 2.84Å; A350-F354 VanDerWaalsContact O-N 3.09Å; A351-F354 PolarHBondContact O-N 3.16Å; F354-S356 VanDerWaalsContact C-N 3.27Å; F354-S356 PolarHBondContact O-N 3.13Å; F354-I357 PolarHBondContact O-N 3.46Å; F354-G358 PolarHBondContact O-N 3.05Å |
| 355 | M | 88.3 | Confident | 82.5 | Confident | 12 Ų | 12 | 38.7 Ų | 38.7 | 6% | 0.059 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.2 | -36.9 | 175.3 | -173.7 | -176.2 | 172.1 | 0 | 0 | 111.9 | L50 A351 L359 T454 F457 L458 | L50-M355 HydrophobicContact CB-CG 3.98Å; L50-M355 HydrophobicContact CD1-CE 3.41Å; L50-M355 VanDerWaalsContact CD1-CE 3.41Å; L50-M355 HydrophobicContact CD1-CG 3.77Å; L50-M355 HydrophobicContact CD1-SD 4.25Å; A351-M355 WeakPolarHBondContact O-CB 3.37Å; A351-M355 PolarHBondContact O-N 3.44Å; M355-L359 HydrophobicContact CG-CD1 4.32Å; M355-L359 WeakPolarHBondContact O-CB 3.28Å; M355-L359 WeakPolarHBondContact O-CD1 3.5Å; M355-L359 VanDerWaalsContact O-CG 3.29Å; M355-L359 WeakPolarHBondContact O-CG 3.44Å; M355-L359 PolarHBondContact O-N 3.47Å; M355-T454 HydrophobicContact CB-CG2 4.14Å; M355-T454 HydrophobicContact CE-CG2 3.89Å; M355-T454 HydrophobicContact CG-CG2 3.63Å; M355-T454 HydrophobicContact SD-CG2 3.7Å; M355-F457 HydrophobicContact CE-CD1 3.96Å; M355-F457 HydrophobicContact CE-CE1 4.33Å; M355-L458 HydrophobicContact SD-CD1 4.13Å; M355-L458 HydrophobicContact SD-CD2 4.37Å; M355-L458 HydrophobicContact SD-CG 4.2Å |
| 356 | S | 86.4 | Confident | 81.1 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -73 | -37.6 | 175.8 | 63.9 | 0 | 0 | 0 | 0 | 114 | S352 L353 F354 C360 | S352-S356 WeakPolarHBondContact O-CB 3.29Å; S352-S356 PolarHBondContact O-N 2.95Å; S352-S356 PolarHBondContact O-OG 2.93Å; L353-S356 PolarHBondContact O-N 3.37Å; L353-S356 PolarHBondContact O-OG 3.09Å; F354-S356 VanDerWaalsContact C-N 3.27Å; F354-S356 PolarHBondContact O-N 3.13Å; S356-C360 PolarHBondContact O-N 3.43Å; S356-C360 PolarHBondContact O-SG 3.41Å |
| 357 | I | 82.9 | Confident | 79.8 | Confident | 57 Ų | 57 | 46.2 Ų | 46.2 | 29% | 0.292 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.3 | -47.5 | 175.7 | -66.7 | 164.2 | 0 | 0 | 0 | 109.4 | L54 I57 L353 F354 L359 C360 V361 F447 | L54-I357 HydrophobicContact CD2-CB 4.2Å; L54-I357 HydrophobicContact CD2-CG2 3.77Å; L54-I357 HydrophobicContact CG-CG2 4.07Å; I57-I357 HydrophobicContact CD1-CG2 4.18Å; L353-I357 WeakPolarHBondContact O-CG1 3.3Å; L353-I357 PolarHBondContact O-N 2.98Å; F354-I357 PolarHBondContact O-N 3.46Å; I357-L359 PolarHBondContact O-N 3.47Å; I357-C360 PolarHBondContact O-N 2.86Å; I357-V361 WeakPolarHBondContact O-CG2 3.26Å; I357-V361 PolarHBondContact O-N 3.41Å; I357-F447 HydrophobicContact CG1-CE2 3.88Å; I357-F447 HydrophobicContact CG1-CZ 3.71Å |
| 358 | G | 85.1 | Confident | 78.1 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.8 | -43 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L50 F354 V361 T362 | L50-G358 WeakPolarHBondContact O-CA 3.19Å; F354-G358 PolarHBondContact O-N 3.05Å; G358-V361 PolarHBondContact O-N 3.48Å; G358-T362 WeakPolarHBondContact O-CG2 3.33Å; G358-T362 PolarHBondContact O-N 2.86Å; G358-T362 PolarHBondContact O-OG1 3.45Å |
| 359 | L | 86.3 | Confident | 76.2 | Confident | 41 Ų | 41 | 48.5 Ų | 48.5 | 22% | 0.215 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.9 | -47.4 | 172.8 | -82.5 | 167.9 | 0 | 0 | 0 | 112.2 | L50 M355 I357 V361 T362 I363 V450 T454 | L50-L359 HydrophobicContact CD2-CD2 3.79Å; L50-L359 HydrophobicContact CD2-CG 4.24Å; M355-L359 HydrophobicContact CG-CD1 4.32Å; M355-L359 WeakPolarHBondContact O-CB 3.28Å; M355-L359 WeakPolarHBondContact O-CD1 3.5Å; M355-L359 VanDerWaalsContact O-CG 3.29Å; M355-L359 WeakPolarHBondContact O-CG 3.44Å; M355-L359 PolarHBondContact O-N 3.47Å; I357-L359 PolarHBondContact O-N 3.47Å; L359-V361 VanDerWaalsContact C-N 3.32Å; L359-V361 PolarHBondContact O-N 3.48Å; L359-T362 WeakPolarHBondContact CA-OG1 3.47Å; L359-T362 PolarHBondContact O-N 2.96Å; L359-T362 VanDerWaalsContact O-N 3.15Å; L359-T362 PolarHBondContact O-OG1 3.02Å; L359-I363 WeakPolarHBondContact O-CD1 3.31Å; L359-I363 WeakPolarHBondContact O-CG1 3.5Å; L359-I363 PolarHBondContact O-N 3.3Å; L359-I363 VanDerWaalsContact O-N 3.16Å; L359-V450 HydrophobicContact CB-CG1 3.81Å; L359-V450 HydrophobicContact CD1-CG1 3.84Å; L359-V450 HydrophobicContact CG-CG1 4.5Å; L359-T454 HydrophobicContact CD1-CG2 3.71Å |
| 360 | C | 80.2 | Confident | 74.5 | Confident | 16 Ų | 16 | 50.7 Ų | 50.7 | 11% | 0.108 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.4 | -40.1 | 178.6 | -75.7 | 0 | 0 | 0 | 0 | 112.6 | S356 I357 I363 L365 | S356-C360 PolarHBondContact O-N 3.43Å; S356-C360 PolarHBondContact O-SG 3.41Å; I357-C360 PolarHBondContact O-N 2.86Å; C360-I363 PolarHBondContact O-N 3.26Å; C360-L365 HydrophobicContact CB-CD1 4.25Å; C360-L365 PolarHBondContact O-N 3.01Å |
| 361 | V | 78.1 | Confident | 72.6 | Confident | 55 Ų | 55 | 55.6 Ų | 55.6 | 33% | 0.333 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 172.9 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | P53 I57 I357 G358 L359 I363 G364 | P53-V361 HydrophobicContact CB-CB 4.24Å; P53-V361 HydrophobicContact CB-CG1 3.98Å; I57-V361 HydrophobicContact CD1-CG2 4.16Å; I57-V361 HydrophobicContact CG1-CG2 4.19Å; I357-V361 WeakPolarHBondContact O-CG2 3.26Å; I357-V361 PolarHBondContact O-N 3.41Å; G358-V361 PolarHBondContact O-N 3.48Å; L359-V361 VanDerWaalsContact C-N 3.32Å; L359-V361 PolarHBondContact O-N 3.48Å; V361-I363 VanDerWaalsContact C-N 3.29Å; V361-I363 PolarHBondContact O-N 3.43Å; V361-G364 PolarHBondContact O-N 2.92Å; V361-G364 VanDerWaalsContact O-N 3.11Å |
| 362 | T | 80 | Confident | 70.8 | Confident | 85 Ų | 85 | 57.4 Ų | 57.4 | 52% | 0.521 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.1 | -25.9 | 179.7 | 53.5 | 0 | 0 | 0 | 0 | 115 | P53 G358 L359 G364 | P53-T362 HydrophobicContact CB-CG2 3.95Å; P53-T362 HydrophobicContact CG-CG2 3.28Å; G358-T362 WeakPolarHBondContact O-CG2 3.33Å; G358-T362 PolarHBondContact O-N 2.86Å; G358-T362 PolarHBondContact O-OG1 3.45Å; L359-T362 WeakPolarHBondContact CA-OG1 3.47Å; L359-T362 PolarHBondContact O-N 2.96Å; L359-T362 VanDerWaalsContact O-N 3.15Å; L359-T362 PolarHBondContact O-OG1 3.02Å; T362-G364 PolarHBondContact O-N 3.48Å |
| 363 | I | 79.1 | Confident | 69.1 | Low | 110 Ų | 110 | 59.8 Ų | 59.8 | 56% | 0.564 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -4.6 | 179.2 | -60.4 | 161.7 | 0 | 0 | 0 | 110.6 | L359 C360 V361 L365 | L359-I363 WeakPolarHBondContact O-CD1 3.31Å; L359-I363 WeakPolarHBondContact O-CG1 3.5Å; L359-I363 PolarHBondContact O-N 3.3Å; L359-I363 VanDerWaalsContact O-N 3.16Å; C360-I363 PolarHBondContact O-N 3.26Å; V361-I363 VanDerWaalsContact C-N 3.29Å; V361-I363 PolarHBondContact O-N 3.43Å; I363-L365 HydrophobicContact CB-CD1 3.85Å; I363-L365 HydrophobicContact CB-CG 4.08Å; I363-L365 HydrophobicContact CD1-CD1 4.27Å; I363-L365 HydrophobicContact CG2-CD1 3.81Å; I363-L365 HydrophobicContact CG2-CG 3.85Å; I363-L365 PolarHBondContact O-N 3.4Å |
| 364 | G | 65.9 | Low | 68 | Low | 64 Ų | 64 | 62.6 Ų | 62.6 | 66% | 0.66 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.6 | 17.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V361 T362 V366 | V361-G364 PolarHBondContact O-N 2.92Å; V361-G364 VanDerWaalsContact O-N 3.11Å; T362-G364 PolarHBondContact O-N 3.48Å; G364-V366 PolarHBondContact O-N 3.49Å |
| 365 | L | 60.6 | Low | 67 | Low | 63 Ų | 63 | 60.5 Ų | 60.5 | 33% | 0.33 | 36% | 0.364 | S | S | . | . | trans | -69 | 129.2 | 175.8 | -65.9 | 156.8 | 0 | 0 | 0 | 108.5 | C360 I363 M367 L446 | C360-L365 HydrophobicContact CB-CD1 4.25Å; C360-L365 PolarHBondContact O-N 3.01Å; I363-L365 HydrophobicContact CB-CD1 3.85Å; I363-L365 HydrophobicContact CB-CG 4.08Å; I363-L365 HydrophobicContact CD1-CD1 4.27Å; I363-L365 HydrophobicContact CG2-CD1 3.81Å; I363-L365 HydrophobicContact CG2-CG 3.85Å; I363-L365 PolarHBondContact O-N 3.4Å; L365-M367 PolarHBondContact O-N 3.42Å; L365-L446 HydrophobicContact CD1-CD2 3.41Å; L365-L446 VanDerWaalsContact CD1-CD2 3.41Å; L365-L446 HydrophobicContact CD2-CD1 4.38Å; L365-L446 HydrophobicContact CD2-CD2 3.93Å; L365-L446 HydrophobicContact CG-CD2 4.28Å | ||
| 366 | V | 53.5 | Low | 65.9 | Low | 113 Ų | 113 | 60.2 Ų | 60.2 | 69% | 0.685 | 36% | 0.363 | S | S | * | . | trans | -51.1 | 131.6 | -176.1 | -178.8 | 0 | 0 | 0 | 0 | 109.9 | G364 | G364-V366 PolarHBondContact O-N 3.49Š| ||
| 367 | M | 53.7 | Low | 65.1 | Low | 89 Ų | 89 | 62.3 Ų | 62.3 | 44% | 0.438 | 38% | 0.376 | S | S | . | . | trans | -49 | 115.2 | 174.4 | -171 | 111.7 | 69.9 | 0 | 0 | 108.2 | I57 V60 L365 T369 | I57-M367 HydrophobicContact CG2-CE 4.01Å; I57-M367 HydrophobicContact CG2-SD 4.15Å; V60-M367 HydrophobicContact CG2-CE 3.81Å; L365-M367 PolarHBondContact O-N 3.42Å; M367-T369 PolarHBondContact O-N 2.93Å | ||
| 368 | P | 50.5 | Low | 64.5 | Low | 52 Ų | 52 | 62.3 Ų | 62.3 | 34% | 0.338 | 37% | 0.373 | S | S | . | . | trans | -63.1 | 137.2 | -156.8 | 22.7 | -34.7 | 0 | 0 | 0 | 110.5 | L370 | P368-L370 HydrophobicContact CB-CB 4.08Å; P368-L370 HydrophobicContact CB-CD1 4.06Å; P368-L370 HydrophobicContact CB-CG 4.43Å; P368-L370 HydrophobicContact CG-CB 4.3Å; P368-L370 HydrophobicContact CG-CD2 4.16Å; P368-L370 WeakPolarHBondContact O-CB 3.47Å; P368-L370 PolarHBondContact O-N 2.88Å | ||
| 369 | T | 49.6 | Very low | 63.9 | Low | 59 Ų | 59 | 66 Ų | 66 | 36% | 0.362 | 39% | 0.392 | S | S | . | . | trans | -80.5 | 60.7 | -176.4 | 56.9 | 0 | 0 | 0 | 0 | 109.8 | M367 N371 E443 | M367-T369 PolarHBondContact O-N 2.93Å; T369-N371 VanDerWaalsContact C-N 3.26Å; T369-N371 PolarHBondContact O-N 3.19Å; T369-E443 PolarHBondContact N-OE2 2.9Å; T369-E443 PolarHBondContact OG1-OE1 3.29Å; T369-E443 PolarHBondContact OG1-OE2 3.16Å; T369-E443 VanDerWaalsContact OG1-OE2 3.09Å | ||
| 370 | L | 50.8 | Low | 63.3 | Low | 54 Ų | 54 | 64.6 Ų | 64.6 | 28% | 0.283 | 39% | 0.386 | S | S | . | . | trans | -86 | 62.2 | -143.1 | -161 | 64.2 | 0 | 0 | 0 | 112.5 | P368 G372 S373 | P368-L370 HydrophobicContact CB-CB 4.08Å; P368-L370 HydrophobicContact CB-CD1 4.06Å; P368-L370 HydrophobicContact CB-CG 4.43Å; P368-L370 HydrophobicContact CG-CB 4.3Å; P368-L370 HydrophobicContact CG-CD2 4.16Å; P368-L370 WeakPolarHBondContact O-CB 3.47Å; P368-L370 PolarHBondContact O-N 2.88Å; L370-G372 PolarHBondContact O-N 2.87Å; L370-S373 VanDerWaalsContact CD2-CB 3.46Å; L370-S373 WeakPolarHBondContact O-CB 3.36Å; L370-S373 PolarHBondContact O-N 2.87Å; L370-S373 PolarHBondContact O-OG 3.3Å | ||
| 371 | N | 44.9 | Very low | 63.1 | Low | 146 Ų | 146 | 65.3 Ų | 65.3 | 78% | 0.781 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 96.7 | 166.1 | -79 | -25.3 | 0 | 0 | 0 | 109.5 | T369 | T369-N371 VanDerWaalsContact C-N 3.26Å; T369-N371 PolarHBondContact O-N 3.19Å |
| 372 | G | 49.6 | Very low | 63 | Low | 51 Ų | 51 | 66.2 Ų | 66.2 | 53% | 0.526 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 114.9 | 5 | -171 | 0 | 0 | 0 | 0 | 0 | 115.3 | L370 E374 V375 | L370-G372 PolarHBondContact O-N 2.87Å; G372-E374 VanDerWaalsContact C-N 3.25Å; G372-E374 PolarHBondContact O-N 3.43Å; G372-E374 VanDerWaalsContact O-N 3.15Å; G372-V375 PolarHBondContact O-N 3.14Å |
| 373 | S | 55 | Low | 63.1 | Low | 49 Ų | 49 | 65.2 Ų | 65.2 | 34% | 0.343 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -41.4 | -46.4 | 178 | 53.7 | 0 | 0 | 0 | 0 | 115 | L370 V375 F376 P377 | L370-S373 VanDerWaalsContact CD2-CB 3.46Å; L370-S373 WeakPolarHBondContact O-CB 3.36Å; L370-S373 PolarHBondContact O-N 2.87Å; L370-S373 PolarHBondContact O-OG 3.3Å; S373-V375 PolarHBondContact O-N 3.22Å; S373-F376 PolarHBondContact O-N 3.21Å; S373-P377 WeakPolarHBondContact O-CD 3.21Å |
| 374 | E | 61.5 | Low | 63.2 | Low | 85 Ų | 85 | 60 Ų | 60 | 40% | 0.397 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -54 | -29.2 | -174 | -57 | -177.8 | 169.6 | 0 | 0 | 113.7 | L314 Y318 G372 | L314-E374 HydrophobicContact CD1-CB 4.01Å; L314-E374 HydrophobicContact CD2-CB 3.81Å; L314-E374 HydrophobicContact CD2-CG 4.03Å; Y318-E374 PolarHBondContact OH-O 2.87Å; G372-E374 VanDerWaalsContact C-N 3.25Å; G372-E374 PolarHBondContact O-N 3.43Å; G372-E374 VanDerWaalsContact O-N 3.15Å |
| 375 | V | 64.5 | Low | 63.9 | Low | 69 Ų | 69 | 57.7 Ų | 57.7 | 42% | 0.418 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -87.6 | -24.6 | -176 | -171.9 | 0 | 0 | 0 | 0 | 112.5 | G372 S373 Y378 L379 | G372-V375 PolarHBondContact O-N 3.14Å; S373-V375 PolarHBondContact O-N 3.22Å; V375-Y378 PolarHBondContact O-N 3.43Å; V375-L379 PolarHBondContact O-N 3.38Å |
| 376 | F | 66.7 | Low | 65 | Low | 7 Ų | 7 | 59.1 Ų | 59.1 | 3% | 0.031 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66 | -49.6 | -173.6 | 177.7 | -85.5 | 0 | 0 | 0 | 113.6 | L353 S373 Y378 L379 V380 F444 F447 A448 | L353-F376 HydrophobicContact CD2-CD1 4.31Å; L353-F376 HydrophobicContact CD2-CE1 3.88Å; S373-F376 PolarHBondContact O-N 3.21Å; F376-Y378 VanDerWaalsContact C-N 3.27Å; F376-Y378 PolarHBondContact O-N 2.77Å; F376-L379 WeakPolarHBondContact O-CB 3.1Å; F376-L379 PolarHBondContact O-N 3.17Å; F376-L379 VanDerWaalsContact O-N 3.08Å; F376-V380 HydrophobicContact CD1-CG2 4.09Å; F376-V380 HydrophobicContact CE1-CG2 3.52Å; F376-V380 HydrophobicContact CE2-CG2 4.24Å; F376-V380 HydrophobicContact CZ-CG2 3.61Å; F376-V380 PolarHBondContact O-N 3.47Å; F376-V380 VanDerWaalsContact O-N 3.12Å; F376-F444 HydrophobicContact CD2-CD2 4.27Å; F376-F444 AromaticContact CD2-CE2 3.74Å; F376-F444 HydrophobicContact CD2-CE2 3.74Å; F376-F444 HydrophobicContact CD2-CZ 4.22Å; F376-F447 HydrophobicContact CD1-CD1 4.02Å; F376-F447 AromaticContact CD1-CE1 3.44Å; F376-F447 HydrophobicContact CD1-CE1 3.44Å; F376-F447 VanDerWaalsContact CD1-CE1 3.44Å; F376-F447 HydrophobicContact CD1-CZ 4.29Å; F376-F447 HydrophobicContact CD2-CD1 4.19Å; F376-F447 HydrophobicContact CD2-CE1 4.43Å; F376-F447 AromaticContact CE1-CD1 3.63Å; F376-F447 HydrophobicContact CE1-CD1 3.63Å; F376-F447 AromaticContact CE1-CE1 3.16Å; F376-F447 HydrophobicContact CE1-CE1 3.16Å; F376-F447 AromaticContact CE1-CZ 3.77Å; F376-F447 HydrophobicContact CE1-CZ 3.77Å; F376-F447 AromaticContact CE2-CD1 3.82Å; F376-F447 HydrophobicContact CE2-CD1 3.82Å; F376-F447 HydrophobicContact CE2-CE1 4.21Å; F376-F447 HydrophobicContact CG-CD1 4.28Å; F376-F447 HydrophobicContact CG-CE1 4.08Å; F376-F447 AromaticContact CZ-CD1 3.52Å; F376-F447 HydrophobicContact CZ-CD1 3.52Å; F376-F447 AromaticContact CZ-CE1 3.59Å; F376-F447 HydrophobicContact CZ-CE1 3.59Å; F376-F447 HydrophobicContact CZ-CG 4.2Å; F376-F447 HydrophobicContact CZ-CZ 4.3Å; F376-A448 HydrophobicContact CE2-CB 3.97Å |
| 377 | P | 69.2 | Low | 66.5 | Low | 43 Ų | 43 | 54.8 Ų | 54.8 | 28% | 0.279 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63 | -35 | -179.7 | -19.9 | 31.6 | 0 | 0 | 0 | 112 | L353 S373 L379 V380 V381 | L353-P377 HydrophobicContact CD1-CB 4.05Å; L353-P377 HydrophobicContact CD2-CB 4.45Å; S373-P377 WeakPolarHBondContact O-CD 3.21Å; P377-L379 VanDerWaalsContact C-N 3.34Å; P377-L379 PolarHBondContact O-N 3.14Å; P377-V380 PolarHBondContact O-N 2.92Å; P377-V381 WeakPolarHBondContact O-CB 3.32Å; P377-V381 WeakPolarHBondContact O-CG2 3.38Å; P377-V381 PolarHBondContact O-N 2.89Å |
| 378 | Y | 69.3 | Low | 68.1 | Low | 58 Ų | 58 | 50.7 Ų | 50.7 | 23% | 0.227 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.6 | -43.1 | 173.4 | 175.8 | -91.7 | 0 | 0 | 0 | 112.3 | I317 Y318 L321 V375 F376 L382 | I317-Y378 HydrophobicContact CG2-CD2 4.14Å; I317-Y378 HydrophobicContact CG2-CE2 4.1Å; Y318-Y378 PolarHBondContact OH-N 3.01Å; Y318-Y378 VanDerWaalsContact OH-N 3.12Å; L321-Y378 HydrophobicContact CD2-CD2 3.88Å; L321-Y378 HydrophobicContact CD2-CE2 4.05Å; V375-Y378 PolarHBondContact O-N 3.43Å; F376-Y378 VanDerWaalsContact C-N 3.27Å; F376-Y378 PolarHBondContact O-N 2.77Å; Y378-L382 WeakPolarHBondContact O-CB 3.34Å; Y378-L382 PolarHBondContact O-N 2.93Å |
| 379 | L | 72.7 | Confident | 69.7 | Low | 76 Ų | 76 | 49.9 Ų | 49.9 | 40% | 0.398 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.1 | -45.5 | 177.9 | -176.4 | 152.1 | 0 | 0 | 0 | 111.7 | V375 F376 P377 L382 I383 | V375-L379 PolarHBondContact O-N 3.38Å; F376-L379 WeakPolarHBondContact O-CB 3.1Å; F376-L379 PolarHBondContact O-N 3.17Å; F376-L379 VanDerWaalsContact O-N 3.08Å; P377-L379 VanDerWaalsContact C-N 3.34Å; P377-L379 PolarHBondContact O-N 3.14Å; L379-L382 PolarHBondContact O-N 3.26Å; L379-I383 HydrophobicContact CD2-CD1 3.65Å; L379-I383 HydrophobicContact CG-CD1 4.35Å; L379-I383 WeakPolarHBondContact O-CG1 3.25Å; L379-I383 PolarHBondContact O-N 3.49Å; L379-I383 VanDerWaalsContact O-N 3.16Å |
| 380 | V | 74.4 | Confident | 71.4 | Confident | 13 Ų | 13 | 49.4 Ų | 49.4 | 8% | 0.079 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63 | -44.8 | 177 | 177 | 0 | 0 | 0 | 0 | 111 | L353 F376 P377 L382 I383 G384 | L353-V380 HydrophobicContact CD2-CB 3.94Å; L353-V380 HydrophobicContact CD2-CG1 3.92Å; L353-V380 HydrophobicContact CD2-CG2 4.03Å; L353-V380 HydrophobicContact CG-CB 4.46Å; L353-V380 HydrophobicContact CG-CG1 4.05Å; F376-V380 HydrophobicContact CD1-CG2 4.09Å; F376-V380 HydrophobicContact CE1-CG2 3.52Å; F376-V380 HydrophobicContact CE2-CG2 4.24Å; F376-V380 HydrophobicContact CZ-CG2 3.61Å; F376-V380 PolarHBondContact O-N 3.47Å; F376-V380 VanDerWaalsContact O-N 3.12Å; P377-V380 PolarHBondContact O-N 2.92Å; V380-L382 VanDerWaalsContact C-N 3.31Å; V380-L382 PolarHBondContact O-N 3.07Å; V380-I383 PolarHBondContact O-N 2.79Å; V380-G384 PolarHBondContact O-N 2.9Å |
| 381 | V | 75.4 | Confident | 73.1 | Confident | 31 Ų | 31 | 47.1 Ų | 47.1 | 19% | 0.188 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.1 | -39.9 | 178.4 | 175.1 | 0 | 0 | 0 | 0 | 111.8 | L321 V349 L353 P377 F385 | L321-V381 HydrophobicContact CD2-CB 4.13Å; L321-V381 HydrophobicContact CD2-CG1 3.54Å; L321-V381 HydrophobicContact CG-CG1 4.2Å; V349-V381 HydrophobicContact CG1-CB 3.91Å; V349-V381 HydrophobicContact CG1-CG1 4.19Å; V349-V381 HydrophobicContact CG1-CG2 3.47Å; V349-V381 VanDerWaalsContact CG1-CG2 3.47Å; L353-V381 HydrophobicContact CD1-CG2 4.37Å; P377-V381 WeakPolarHBondContact O-CB 3.32Å; P377-V381 WeakPolarHBondContact O-CG2 3.38Å; P377-V381 PolarHBondContact O-N 2.89Å; V381-F385 WeakPolarHBondContact O-CB 3.31Å; V381-F385 PolarHBondContact O-N 3.11Å |
| 382 | L | 76.9 | Confident | 75.1 | Confident | 73 Ų | 73 | 40.3 Ų | 40.3 | 38% | 0.382 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.5 | -46.4 | 179.1 | -168.5 | 114.5 | 0 | 0 | 0 | 112.1 | Y378 L379 V380 E386 | Y378-L382 WeakPolarHBondContact O-CB 3.34Å; Y378-L382 PolarHBondContact O-N 2.93Å; L379-L382 PolarHBondContact O-N 3.26Å; V380-L382 VanDerWaalsContact C-N 3.31Å; V380-L382 PolarHBondContact O-N 3.07Å; L382-E386 PolarHBondContact O-N 3.5Å; L382-E386 VanDerWaalsContact O-N 3.16Å |
| 383 | I | 80.5 | Confident | 76.8 | Confident | 65 Ų | 65 | 43.4 Ų | 43.4 | 33% | 0.333 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67.6 | -49.8 | -179.3 | -66.1 | 175.3 | 0 | 0 | 0 | 110.9 | L379 V380 F385 E386 N387 | L379-I383 HydrophobicContact CD2-CD1 3.65Å; L379-I383 HydrophobicContact CG-CD1 4.35Å; L379-I383 WeakPolarHBondContact O-CG1 3.25Å; L379-I383 PolarHBondContact O-N 3.49Å; L379-I383 VanDerWaalsContact O-N 3.16Å; V380-I383 PolarHBondContact O-N 2.79Å; I383-F385 VanDerWaalsContact C-N 3.29Å; I383-F385 PolarHBondContact O-N 2.67Å; I383-E386 PolarHBondContact O-N 2.97Å; I383-N387 PolarHBondContact O-N 3.46Å; I383-N387 VanDerWaalsContact O-N 3.14Å |
| 384 | G | 81.7 | Confident | 78.4 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.3 | -37.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V380 N387 V388 D455 Q459 | V380-G384 PolarHBondContact O-N 2.9Å; G384-N387 PolarHBondContact O-N 3.36Å; G384-V388 WeakPolarHBondContact O-CB 3.39Å; G384-V388 VanDerWaalsContact O-CG2 3.32Å; G384-V388 WeakPolarHBondContact O-CG2 3.48Å; G384-V388 PolarHBondContact O-N 3.31Å; G384-D455 WeakPolarHBondContact CA-OD2 3.4Å; G384-Q459 PolarHBondContact O-NE2 3.19Å |
| 385 | F | 81.2 | Confident | 79.6 | Confident | 16 Ų | 16 | 37.6 Ų | 37.6 | 7% | 0.07 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.7 | -37.6 | 176.7 | -175.1 | -124.6 | 0 | 0 | 0 | 113.6 | Y324 V325 V329 V381 I383 V388 I389 | Y324-F385 HydrophobicContact CD1-CE1 4.18Å; Y324-F385 HydrophobicContact CE1-CD1 4.37Å; Y324-F385 AromaticContact CE1-CE1 3.94Å; Y324-F385 HydrophobicContact CE1-CE1 3.94Å; V325-F385 HydrophobicContact CB-CE1 4.16Å; V325-F385 HydrophobicContact CB-CE2 4.14Å; V325-F385 HydrophobicContact CB-CZ 3.87Å; V325-F385 HydrophobicContact CG1-CD2 4.25Å; V325-F385 HydrophobicContact CG1-CE2 3.66Å; V325-F385 HydrophobicContact CG1-CZ 3.83Å; V325-F385 HydrophobicContact CG2-CD1 3.73Å; V325-F385 HydrophobicContact CG2-CD2 4Å; V325-F385 HydrophobicContact CG2-CE1 3.61Å; V325-F385 HydrophobicContact CG2-CE2 3.92Å; V325-F385 HydrophobicContact CG2-CG 3.92Å; V325-F385 HydrophobicContact CG2-CZ 3.73Å; V329-F385 HydrophobicContact CG2-CE2 4.39Å; V381-F385 WeakPolarHBondContact O-CB 3.31Å; V381-F385 PolarHBondContact O-N 3.11Å; I383-F385 VanDerWaalsContact C-N 3.29Å; I383-F385 PolarHBondContact O-N 2.67Å; F385-V388 PolarHBondContact O-N 2.8Å; F385-I389 HydrophobicContact CD1-CD1 3.7Å; F385-I389 HydrophobicContact CD2-CD1 4.27Å; F385-I389 HydrophobicContact CD2-CG1 4.3Å; F385-I389 HydrophobicContact CE1-CD1 3.27Å; F385-I389 HydrophobicContact CE1-CG1 4.17Å; F385-I389 HydrophobicContact CE2-CD1 3.88Å; F385-I389 HydrophobicContact CE2-CG1 3.84Å; F385-I389 HydrophobicContact CG-CD1 4.18Å; F385-I389 HydrophobicContact CZ-CD1 3.36Å; F385-I389 HydrophobicContact CZ-CG1 3.77Å; F385-I389 WeakPolarHBondContact O-CG1 3.4Å; F385-I389 PolarHBondContact O-N 3.08Å |
| 386 | E | 83.4 | Confident | 80.5 | Confident | 92 Ų | 92 | 35.4 Ų | 35.4 | 43% | 0.43 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.6 | -45.1 | 174.7 | -175.8 | 166.3 | -160.3 | 0 | 0 | 111.2 | L382 I383 V388 I389 V390 L939 | L382-E386 PolarHBondContact O-N 3.5Å; L382-E386 VanDerWaalsContact O-N 3.16Å; I383-E386 PolarHBondContact O-N 2.97Å; E386-V388 PolarHBondContact O-N 3.2Å; E386-I389 PolarHBondContact O-N 3.47Å; E386-V390 WeakPolarHBondContact O-CG2 3.21Å; E386-V390 PolarHBondContact O-N 3.45Å; E386-L939 WeakPolarHBondContact OE1-CD2 3.4Å |
| 387 | N | 86 | Confident | 81.3 | Confident | 22 Ų | 22 | 39.1 Ų | 39.1 | 12% | 0.118 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.3 | -49.1 | 175.8 | -69.5 | -16.4 | 0 | 0 | 0 | 112 | I383 G384 I389 V390 L391 L422 Q459 | I383-N387 PolarHBondContact O-N 3.46Å; I383-N387 VanDerWaalsContact O-N 3.14Å; G384-N387 PolarHBondContact O-N 3.36Å; N387-I389 VanDerWaalsContact C-N 3.33Å; N387-I389 PolarHBondContact O-N 3.01Å; N387-V390 PolarHBondContact O-N 2.73Å; N387-L391 WeakPolarHBondContact O-CB 3.35Å; N387-L391 PolarHBondContact O-N 3Å; N387-L422 WeakPolarHBondContact OD1-CD2 3.04Å; N387-Q459 PolarHBondContact ND2-OE1 3.35Å |
| 388 | V | 85.9 | Confident | 82.1 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.024 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.2 | -40.9 | 177.7 | 162.6 | 0 | 0 | 0 | 0 | 112 | A345 G384 F385 E386 T392 Q459 F463 | A345-V388 HydrophobicContact CB-CG1 3.74Å; G384-V388 WeakPolarHBondContact O-CB 3.39Å; G384-V388 VanDerWaalsContact O-CG2 3.32Å; G384-V388 WeakPolarHBondContact O-CG2 3.48Å; G384-V388 PolarHBondContact O-N 3.31Å; F385-V388 PolarHBondContact O-N 2.8Å; E386-V388 PolarHBondContact O-N 3.2Å; V388-T392 WeakPolarHBondContact O-CB 3.39Å; V388-T392 PolarHBondContact O-N 3.22Å; V388-T392 PolarHBondContact O-OG1 3.38Å; V388-Q459 HydrophobicContact CG2-CG 4.07Å; V388-F463 HydrophobicContact CG1-CD1 4.42Å; V388-F463 HydrophobicContact CG1-CD2 4.2Å; V388-F463 HydrophobicContact CG1-CE1 3.89Å; V388-F463 HydrophobicContact CG1-CE2 3.65Å; V388-F463 HydrophobicContact CG1-CZ 3.49Å; V388-F463 VanDerWaalsContact CG1-CZ 3.49Å; V388-F463 HydrophobicContact CG2-CD1 4.39Å; V388-F463 HydrophobicContact CG2-CD2 4.42Å; V388-F463 HydrophobicContact CG2-CG 4.3Å |
| 389 | I | 83.5 | Confident | 82.7 | Confident | 34 Ų | 34 | 38 Ų | 38 | 17% | 0.174 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.8 | -45.9 | 175.9 | -72.3 | 162.8 | 0 | 0 | 0 | 111.6 | F385 E386 N387 T392 K393 | F385-I389 HydrophobicContact CD1-CD1 3.7Å; F385-I389 HydrophobicContact CD2-CD1 4.27Å; F385-I389 HydrophobicContact CD2-CG1 4.3Å; F385-I389 HydrophobicContact CE1-CD1 3.27Å; F385-I389 HydrophobicContact CE1-CG1 4.17Å; F385-I389 HydrophobicContact CE2-CD1 3.88Å; F385-I389 HydrophobicContact CE2-CG1 3.84Å; F385-I389 HydrophobicContact CG-CD1 4.18Å; F385-I389 HydrophobicContact CZ-CD1 3.36Å; F385-I389 HydrophobicContact CZ-CG1 3.77Å; F385-I389 WeakPolarHBondContact O-CG1 3.4Å; F385-I389 PolarHBondContact O-N 3.08Å; E386-I389 PolarHBondContact O-N 3.47Å; N387-I389 VanDerWaalsContact C-N 3.33Å; N387-I389 PolarHBondContact O-N 3.01Å; I389-T392 PolarHBondContact O-N 3.28Å; I389-K393 HydrophobicContact CG2-CD 3.86Å; I389-K393 HydrophobicContact CG2-CG 4.49Å; I389-K393 VanDerWaalsContact O-CG 3.31Å; I389-K393 WeakPolarHBondContact O-CG 3.4Å; I389-K393 PolarHBondContact O-N 3.42Å |
| 390 | V | 86.2 | Confident | 82.8 | Confident | 50 Ų | 50 | 38.9 Ų | 38.9 | 30% | 0.303 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.3 | -48.4 | -178.7 | 171.6 | 0 | 0 | 0 | 0 | 110.3 | E386 N387 T392 K393 S394 E415 | E386-V390 WeakPolarHBondContact O-CG2 3.21Å; E386-V390 PolarHBondContact O-N 3.45Å; N387-V390 PolarHBondContact O-N 2.73Å; V390-T392 PolarHBondContact O-N 3.49Å; V390-K393 PolarHBondContact O-N 3.3Å; V390-K393 VanDerWaalsContact O-N 3.15Å; V390-S394 PolarHBondContact O-N 3.3Å; V390-S394 VanDerWaalsContact O-N 3.09Å; V390-E415 HydrophobicContact CG1-CG 4.21Å |
| 391 | L | 87.2 | Confident | 82.8 | Confident | 5 Ų | 5 | 45.3 Ų | 45.3 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.3 | -39.2 | 179.4 | -176.5 | 57.6 | 0 | 0 | 0 | 112.8 | N387 K393 S394 V395 L412 F463 V464 | N387-L391 WeakPolarHBondContact O-CB 3.35Å; N387-L391 PolarHBondContact O-N 3Å; L391-K393 VanDerWaalsContact C-N 3.35Å; L391-S394 PolarHBondContact O-OG 3Å; L391-V395 WeakPolarHBondContact O-CG2 3.16Å; L391-V395 PolarHBondContact O-N 3.03Å; L391-L412 HydrophobicContact CD1-CD1 3.77Å; L391-F463 HydrophobicContact CD2-CD1 4.38Å; L391-V464 HydrophobicContact CD2-CG2 3.75Å; L391-V464 HydrophobicContact CG-CG2 4.48Å |
| 392 | T | 86.4 | Confident | 83 | Confident | 4 Ų | 4 | 47.2 Ų | 47.2 | 3% | 0.025 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62 | -43.7 | 173.3 | -57.7 | 0 | 0 | 0 | 0 | 111.1 | L332 L341 V388 I389 V390 V396 F463 | L332-T392 HydrophobicContact CD1-CG2 3.72Å; L341-T392 HydrophobicContact CD2-CG2 3.99Å; V388-T392 WeakPolarHBondContact O-CB 3.39Å; V388-T392 PolarHBondContact O-N 3.22Å; V388-T392 PolarHBondContact O-OG1 3.38Å; I389-T392 PolarHBondContact O-N 3.28Å; V390-T392 PolarHBondContact O-N 3.49Å; T392-V396 HydrophobicContact CG2-CG2 4.31Å; T392-V396 WeakPolarHBondContact O-CB 3.39Å; T392-V396 VanDerWaalsContact O-CG2 3.24Å; T392-V396 WeakPolarHBondContact O-CG2 3.39Å; T392-V396 PolarHBondContact O-N 3.28Å; T392-F463 WeakPolarHBondContact OG1-CZ 3.21Å |
| 393 | K | 85.4 | Confident | 83.2 | Confident | 115 Ų | 115 | 47.5 Ų | 47.5 | 50% | 0.5 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.7 | -39.9 | -178.4 | -76.3 | 167.6 | 179.1 | 166.5 | 0 | 112.8 | I389 V390 L391 V396 A397 | I389-K393 HydrophobicContact CG2-CD 3.86Å; I389-K393 HydrophobicContact CG2-CG 4.49Å; I389-K393 VanDerWaalsContact O-CG 3.31Å; I389-K393 WeakPolarHBondContact O-CG 3.4Å; I389-K393 PolarHBondContact O-N 3.42Å; V390-K393 PolarHBondContact O-N 3.3Å; V390-K393 VanDerWaalsContact O-N 3.15Å; L391-K393 VanDerWaalsContact C-N 3.35Å; K393-V396 PolarHBondContact O-N 2.9Å; K393-A397 WeakPolarHBondContact O-CB 3.33Å; K393-A397 PolarHBondContact O-N 3.41Å |
| 394 | S | 87.6 | Confident | 83.4 | Confident | 10 Ų | 10 | 45 Ų | 45 | 7% | 0.07 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.8 | -40.8 | -179.7 | 68.2 | 0 | 0 | 0 | 0 | 112.3 | V390 L391 A397 G411 E415 | V390-S394 PolarHBondContact O-N 3.3Å; V390-S394 VanDerWaalsContact O-N 3.09Å; L391-S394 PolarHBondContact O-OG 3Å; S394-A397 PolarHBondContact O-N 3.19Å; S394-G411 WeakPolarHBondContact CB-O 3.41Å; S394-G411 PolarHBondContact OG-O 2.91Å; S394-E415 WeakPolarHBondContact OG-CG 3.46Å |
| 395 | V | 87.8 | Confident | 83.6 | Confident | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 173.4 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | L391 A397 T398 I408 L467 I471 | L391-V395 WeakPolarHBondContact O-CG2 3.16Å; L391-V395 PolarHBondContact O-N 3.03Å; V395-A397 VanDerWaalsContact C-N 3.29Å; V395-A397 PolarHBondContact O-N 3.15Å; V395-T398 PolarHBondContact O-N 3.05Å; V395-T398 PolarHBondContact O-OG1 2.81Å; V395-I408 HydrophobicContact CG1-CD1 3.59Å; V395-L467 HydrophobicContact CB-CD2 4.07Å; V395-L467 HydrophobicContact CG1-CD2 4.03Å; V395-L467 HydrophobicContact CG1-CG 4.4Å; V395-L467 HydrophobicContact CG2-CD2 4.07Å; V395-I471 HydrophobicContact CG1-CD1 3.53Å |
| 396 | V | 84 | Confident | 84.1 | Confident | 22 Ų | 22 | 53.5 Ų | 53.5 | 13% | 0.133 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -72.3 | -19.1 | 177.6 | 170 | 0 | 0 | 0 | 0 | 113.1 | M334 T392 K393 | M334-V396 HydrophobicContact CB-CG1 4.14Å; M334-V396 HydrophobicContact CE-CG1 3.92Å; M334-V396 WeakPolarHBondContact CE-O 3.45Å; M334-V396 HydrophobicContact CG-CG1 4.12Å; M334-V396 HydrophobicContact SD-CG1 3.83Å; T392-V396 HydrophobicContact CG2-CG2 4.31Å; T392-V396 WeakPolarHBondContact O-CB 3.39Å; T392-V396 VanDerWaalsContact O-CG2 3.24Å; T392-V396 WeakPolarHBondContact O-CG2 3.39Å; T392-V396 PolarHBondContact O-N 3.28Å; K393-V396 PolarHBondContact O-N 2.9Å |
| 397 | A | 83.5 | Confident | 84.4 | Confident | 85 Ų | 85 | 49.4 Ų | 49.4 | 70% | 0.702 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 5.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | K393 S394 V395 | K393-A397 WeakPolarHBondContact O-CB 3.33Å; K393-A397 PolarHBondContact O-N 3.41Å; S394-A397 PolarHBondContact O-N 3.19Å; V395-A397 VanDerWaalsContact C-N 3.29Å; V395-A397 PolarHBondContact O-N 3.15Å |
| 398 | T | 85.9 | Confident | 84.5 | Confident | 12 Ų | 12 | 48.4 Ų | 48.4 | 7% | 0.074 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -81.6 | 151.9 | 172 | 54.4 | 0 | 0 | 0 | 0 | 111.4 | V395 R407 E410 | V395-T398 PolarHBondContact O-N 3.05Å; V395-T398 PolarHBondContact O-OG1 2.81Å; T398-R407 WeakPolarHBondContact OG1-CG 3.49Å; T398-E410 HydrophobicContact CG2-CB 4.48Å; T398-E410 HydrophobicContact CG2-CG 4.22Å |
| 399 | P | 81.4 | Confident | 84.8 | Confident | 66 Ų | 66 | 48.2 Ų | 48.2 | 43% | 0.429 | 27% | 0.267 | S | S | . | . | trans | -62 | 143.5 | 177.2 | 25.5 | -34.5 | 0 | 0 | 0 | 111.8 | D401 L402 | P399-D401 VanDerWaalsContact C-N 3.27Å; P399-D401 PolarHBondContact O-N 3.02Å; P399-L402 HydrophobicContact CG-CD1 4.25Å | ||
| 400 | V | 74.1 | Confident | 85.1 | Confident | 95 Ų | 95 | 49.5 Ų | 49.5 | 58% | 0.576 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -18.6 | -175.5 | -173.8 | 0 | 0 | 0 | 0 | 111.8 | L402 | V400-L402 PolarHBondContact O-N 3.21Å; V400-L402 VanDerWaalsContact O-N 3.09Å |
| 401 | D | 75.3 | Confident | 85.3 | Confident | 148 Ų | 148 | 47.1 Ų | 47.1 | 79% | 0.791 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -8 | -177.5 | -39.3 | -75.1 | 0 | 0 | 0 | 114 | P399 | P399-D401 VanDerWaalsContact C-N 3.27Å; P399-D401 PolarHBondContact O-N 3.02Å |
| 402 | L | 78.2 | Confident | 85.5 | Confident | 71 Ų | 71 | 47 Ų | 47 | 37% | 0.372 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -102.2 | 133.6 | -179.7 | -87.9 | 66.4 | 0 | 0 | 0 | 111.2 | P399 V400 | P399-L402 HydrophobicContact CG-CD1 4.25Å; V400-L402 PolarHBondContact O-N 3.21Å; V400-L402 VanDerWaalsContact O-N 3.09Å |
| 403 | P | 82.8 | Confident | 85.7 | Confident | 79 Ų | 79 | 47.2 Ų | 47.2 | 51% | 0.513 | 26% | 0.259 | S | S | . | . | trans | -55.4 | 143 | 175.5 | -23.7 | 31.6 | 0 | 0 | 0 | 112.6 | K405 Y406 R407 | P403-K405 PolarHBondContact O-N 3.08Å; P403-Y406 HydrophobicContact CB-CD2 4.24Å; P403-Y406 HydrophobicContact CG-CD2 4.26Å; P403-Y406 PolarHBondContact O-N 2.95Å; P403-R407 PolarHBondContact O-N 3.26Å; P403-R407 VanDerWaalsContact O-N 3.09Å | ||
| 404 | V | 83 | Confident | 85.9 | Confident | 13 Ų | 13 | 47.1 Ų | 47.1 | 8% | 0.079 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -33 | -48.9 | -179.9 | -170.1 | 0 | 0 | 0 | 0 | 113.4 | Y406 R407 I408 I471 R472 E475 | V404-Y406 PolarHBondContact O-N 2.96Å; V404-R407 CarbonylContact O-C 3.58Å; V404-R407 WeakPolarHBondContact O-CA 3.43Å; V404-R407 WeakPolarHBondContact O-CB 3.36Å; V404-R407 PolarHBondContact O-N 3.31Å; V404-R407 VanDerWaalsContact O-N 3.1Å; V404-I408 HydrophobicContact CG1-CG1 4.09Å; V404-I408 WeakPolarHBondContact O-CG1 3.49Å; V404-I408 PolarHBondContact O-N 2.93Å; V404-I471 HydrophobicContact CG1-CG2 4.04Å; V404-I471 HydrophobicContact CG2-CG2 4.35Å; V404-R472 HydrophobicContact CG1-CB 4.3Å; V404-R472 HydrophobicContact CG2-CB 4.06Å; V404-R472 HydrophobicContact CG2-CG 4.33Å; V404-E475 WeakPolarHBondContact CG2-OE2 3.37Å |
| 405 | K | 87.8 | Confident | 85.9 | Confident | 84 Ų | 84 | 49.4 Ų | 49.4 | 37% | 0.365 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -53.5 | -48.8 | -178.1 | -65.5 | -171.4 | 173.4 | -155.1 | 0 | 113.8 | L30 S33 S34 P403 A409 | L30-K405 HydrophobicContact CD1-CB 4.1Å; S33-K405 WeakPolarHBondContact OG-CA 3.44Å; S34-K405 WeakPolarHBondContact OG-CE 3.29Å; S34-K405 PolarHBondContact OG-NZ 3.22Å; P403-K405 PolarHBondContact O-N 3.08Å; K405-A409 WeakPolarHBondContact O-CB 3.28Å; K405-A409 PolarHBondContact O-N 2.82Å |
| 406 | Y | 89.9 | Confident | 86 | Confident | 110 Ų | 110 | 49.4 Ų | 49.4 | 43% | 0.431 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -76.2 | -34.7 | 177.6 | -59.7 | -73.4 | 0 | 0 | 0 | 110.9 | L30 P403 V404 I408 A409 E410 | L30-Y406 HydrophobicContact CD1-CE1 4.31Å; P403-Y406 HydrophobicContact CB-CD2 4.24Å; P403-Y406 HydrophobicContact CG-CD2 4.26Å; P403-Y406 PolarHBondContact O-N 2.95Å; V404-Y406 PolarHBondContact O-N 2.96Å; Y406-I408 PolarHBondContact O-N 3.19Å; Y406-A409 PolarHBondContact O-N 2.85Å; Y406-E410 WeakPolarHBondContact O-CB 3.28Å; Y406-E410 PolarHBondContact O-N 3.03Å |
| 407 | R | 89.7 | Confident | 86.2 | Confident | 5 Ų | 5 | 52 Ų | 52 | 2% | 0.019 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60 | -43.9 | 176.8 | -156.9 | -179.3 | 129.1 | -174.6 | 4.5 | 112.7 | T398 P403 V404 G411 E475 | T398-R407 WeakPolarHBondContact OG1-CG 3.49Å; P403-R407 PolarHBondContact O-N 3.26Å; P403-R407 VanDerWaalsContact O-N 3.09Å; V404-R407 CarbonylContact O-C 3.58Å; V404-R407 WeakPolarHBondContact O-CA 3.43Å; V404-R407 WeakPolarHBondContact O-CB 3.36Å; V404-R407 PolarHBondContact O-N 3.31Å; V404-R407 VanDerWaalsContact O-N 3.1Å; R407-G411 PolarHBondContact O-N 2.92Å; R407-E475 IonicContact CZ-OE1 3.75Å; R407-E475 IonicContact NH1-OE1 2.66Å; R407-E475 PolarHBondContact NH1-OE1 3.03Å |
| 408 | I | 89.8 | Confident | 86.4 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.3 | -50.5 | 172.2 | -61 | -57.2 | 0 | 0 | 0 | 110.8 | V395 V404 Y406 E410 G411 L412 V464 I471 | V395-I408 HydrophobicContact CG1-CD1 3.59Å; V404-I408 HydrophobicContact CG1-CG1 4.09Å; V404-I408 WeakPolarHBondContact O-CG1 3.49Å; V404-I408 PolarHBondContact O-N 2.93Å; Y406-I408 PolarHBondContact O-N 3.19Å; I408-E410 VanDerWaalsContact C-N 3.25Å; I408-E410 PolarHBondContact O-N 3.09Å; I408-G411 PolarHBondContact O-N 3.08Å; I408-L412 VanDerWaalsContact O-CB 3.22Å; I408-L412 WeakPolarHBondContact O-CB 3.07Å; I408-L412 PolarHBondContact O-N 3.25Å; I408-V464 HydrophobicContact CG2-CG1 3.74Å; I408-I471 HydrophobicContact CD1-CD1 3.9Å |
| 409 | A | 91.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.7 | -39.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y26 L30 K405 Y406 S413 | Y26-A409 HydrophobicContact CD2-CB 3.68Å; Y26-A409 HydrophobicContact CE2-CB 3.76Å; Y26-A409 HydrophobicContact CG-CB 4.1Å; Y26-A409 WeakPolarHBondContact O-CB 3.5Å; L30-A409 HydrophobicContact CB-CB 4.23Å; K405-A409 WeakPolarHBondContact O-CB 3.28Å; K405-A409 PolarHBondContact O-N 2.82Å; Y406-A409 PolarHBondContact O-N 2.85Å; A409-S413 VanDerWaalsContact O-CB 3.28Å; A409-S413 WeakPolarHBondContact O-CB 3.44Å; A409-S413 PolarHBondContact O-N 2.99Å |
| 410 | E | 91 | Very high | 86.7 | Confident | 62 Ų | 62 | 48.9 Ų | 48.9 | 29% | 0.29 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -83.3 | -27.9 | -178.9 | 179.1 | 61.7 | 178.4 | 0 | 0 | 113.8 | T398 Y406 I408 L412 S413 K414 | T398-E410 HydrophobicContact CG2-CB 4.48Å; T398-E410 HydrophobicContact CG2-CG 4.22Å; Y406-E410 WeakPolarHBondContact O-CB 3.28Å; Y406-E410 PolarHBondContact O-N 3.03Å; I408-E410 VanDerWaalsContact C-N 3.25Å; I408-E410 PolarHBondContact O-N 3.09Å; E410-L412 VanDerWaalsContact C-N 3.35Å; E410-S413 WeakPolarHBondContact CA-OG 3.41Å; E410-S413 PolarHBondContact O-OG 3.46Å; E410-S413 PolarHBondContact OE2-OG 3.29Å; E410-K414 VanDerWaalsContact CD-NZ 3.34Å; E410-K414 VanDerWaalsContact CG-NZ 3.33Å; E410-K414 WeakPolarHBondContact O-CD 3.5Å; E410-K414 WeakPolarHBondContact O-CG 3.43Å; E410-K414 WeakPolarHBondContact OE1-CE 3.16Å; E410-K414 IonicContact OE1-NZ 2.66Å; E410-K414 PolarHBondContact OE1-NZ 3.02Å |
| 411 | G | 89.3 | Confident | 87.4 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.5 | -35.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S394 R407 I408 | S394-G411 WeakPolarHBondContact CB-O 3.41Å; S394-G411 PolarHBondContact OG-O 2.91Å; R407-G411 PolarHBondContact O-N 2.92Å; I408-G411 PolarHBondContact O-N 3.08Å |
| 412 | L | 91.3 | Very high | 87.9 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.016 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -79.7 | -34.8 | 177.9 | -174.2 | 61.1 | 0 | 0 | 0 | 112.2 | Y25 L391 I408 E410 K414 S416 L460 V464 | Y25-L412 HydrophobicContact CD1-CD1 3.58Å; Y25-L412 HydrophobicContact CD1-CG 3.73Å; Y25-L412 HydrophobicContact CE1-CD1 4.06Å; Y25-L412 HydrophobicContact CG-CG 4.38Å; Y25-L412 WeakPolarHBondContact O-CD2 3.38Å; L391-L412 HydrophobicContact CD1-CD1 3.77Å; I408-L412 VanDerWaalsContact O-CB 3.22Å; I408-L412 WeakPolarHBondContact O-CB 3.07Å; I408-L412 PolarHBondContact O-N 3.25Å; E410-L412 VanDerWaalsContact C-N 3.35Å; L412-K414 VanDerWaalsContact C-N 3.29Å; L412-K414 PolarHBondContact O-N 3.4Å; L412-S416 WeakPolarHBondContact O-CB 3.41Å; L412-S416 PolarHBondContact O-N 3.44Å; L412-L460 HydrophobicContact CD1-CD2 4.2Å; L412-V464 HydrophobicContact CD1-CG2 4.41Å; L412-V464 HydrophobicContact CD2-CG1 4.4Å |
| 413 | S | 91.6 | Very high | 88.4 | Confident | 8 Ų | 8 | 46.4 Ų | 46.4 | 6% | 0.056 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.1 | -38.1 | 175.8 | 75.9 | 0 | 0 | 0 | 0 | 112.2 | S22 A409 E410 S416 | S22-S413 PolarHBondContact OG-O 3.45Å; A409-S413 VanDerWaalsContact O-CB 3.28Å; A409-S413 WeakPolarHBondContact O-CB 3.44Å; A409-S413 PolarHBondContact O-N 2.99Å; E410-S413 WeakPolarHBondContact CA-OG 3.41Å; E410-S413 PolarHBondContact O-OG 3.46Å; E410-S413 PolarHBondContact OE2-OG 3.29Å; S413-S416 WeakPolarHBondContact O-CB 3.44Å; S413-S416 PolarHBondContact O-OG 3.4Å |
| 414 | K | 89.2 | Confident | 88.7 | Confident | 112 Ų | 112 | 48.9 Ų | 48.9 | 49% | 0.487 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -70.3 | -48.2 | -174.9 | -78.6 | 169.6 | 178.2 | 144.4 | 0 | 114 | E410 L412 | E410-K414 VanDerWaalsContact CD-NZ 3.34Å; E410-K414 VanDerWaalsContact CG-NZ 3.33Å; E410-K414 WeakPolarHBondContact O-CD 3.5Å; E410-K414 WeakPolarHBondContact O-CG 3.43Å; E410-K414 WeakPolarHBondContact OE1-CE 3.16Å; E410-K414 IonicContact OE1-NZ 2.66Å; E410-K414 PolarHBondContact OE1-NZ 3.02Å; L412-K414 VanDerWaalsContact C-N 3.29Å; L412-K414 PolarHBondContact O-N 3.4Å |
| 415 | E | 87.4 | Confident | 88.9 | Confident | 59 Ų | 59 | 51.8 Ų | 51.8 | 28% | 0.276 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -85.8 | -8.7 | -180 | -67.9 | -60.6 | 153.6 | 0 | 0 | 113.6 | V390 S394 W417 S418 H419 | V390-E415 HydrophobicContact CG1-CG 4.21Å; S394-E415 WeakPolarHBondContact OG-CG 3.46Å; E415-W417 VanDerWaalsContact C-N 3.26Å; E415-W417 PolarHBondContact O-N 3.47Å; E415-W417 VanDerWaalsContact O-N 3.07Å; E415-S418 WeakPolarHBondContact O-CA 3.27Å; E415-S418 WeakPolarHBondContact O-CB 3.21Å; E415-S418 PolarHBondContact O-N 2.92Å; E415-S418 VanDerWaalsContact OE2-CB 3.29Å; E415-S418 WeakPolarHBondContact OE2-CB 3.29Å; E415-H419 WeakPolarHBondContact O-CB 3.47Å; E415-H419 PolarHBondContact O-N 3.04Å |
| 416 | S | 89.5 | Confident | 88.8 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -44.3 | -45 | -176.8 | 64 | 0 | 0 | 0 | 0 | 114.8 | S22 L412 S413 T420 | S22-S416 VanDerWaalsContact CA-OG 3.31Å; S22-S416 WeakPolarHBondContact CA-OG 3.2Å; L412-S416 WeakPolarHBondContact O-CB 3.41Å; L412-S416 PolarHBondContact O-N 3.44Å; S413-S416 WeakPolarHBondContact O-CB 3.44Å; S413-S416 PolarHBondContact O-OG 3.4Å; S416-T420 WeakPolarHBondContact O-CB 3.39Å; S416-T420 PolarHBondContact O-N 2.88Å; S416-T420 PolarHBondContact O-OG1 3.35Å |
| 417 | W | 87.7 | Confident | 88.7 | Confident | 75 Ų | 75 | 45.4 Ų | 45.4 | 28% | 0.284 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -69.7 | -42.5 | 177.1 | 174.4 | -109.7 | 0 | 0 | 0 | 113.1 | L14 K18 I21 E415 K421 | L14-W417 HydrophobicContact CD1-CH2 3.51Å; L14-W417 HydrophobicContact CD1-CZ2 3.72Å; L14-W417 HydrophobicContact CD2-CZ2 4.47Å; L14-W417 HydrophobicContact CG-CH2 4.21Å; L14-W417 HydrophobicContact CG-CZ2 4.12Å; K18-W417 HydrophobicContact CB-CE3 4.48Å; K18-W417 HydrophobicContact CD-CD2 4.37Å; K18-W417 HydrophobicContact CD-CG 4.48Å; K18-W417 HydrophobicContact CG-CB 4.28Å; K18-W417 HydrophobicContact CG-CD2 3.44Å; K18-W417 VanDerWaalsContact CG-CD2 3.44Å; K18-W417 HydrophobicContact CG-CE3 3.61Å; K18-W417 HydrophobicContact CG-CG 3.73Å; K18-W417 HydrophobicContact CG-CZ2 4.43Å; K18-W417 HydrophobicContact CG-CZ3 4.18Å; I21-W417 HydrophobicContact CD1-CE3 3.9Å; I21-W417 HydrophobicContact CD1-CZ3 3.93Å; E415-W417 VanDerWaalsContact C-N 3.26Å; E415-W417 PolarHBondContact O-N 3.47Å; E415-W417 VanDerWaalsContact O-N 3.07Å; W417-K421 WeakPolarHBondContact O-CB 3.4Å; W417-K421 PolarHBondContact O-N 3.2Å |
| 418 | S | 87.7 | Confident | 88.7 | Confident | 66 Ų | 66 | 50.8 Ų | 50.8 | 46% | 0.462 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62 | -50.4 | 179.6 | -165.3 | 0 | 0 | 0 | 0 | 110.5 | E415 K421 L422 | E415-S418 WeakPolarHBondContact O-CA 3.27Å; E415-S418 WeakPolarHBondContact O-CB 3.21Å; E415-S418 PolarHBondContact O-N 2.92Å; E415-S418 VanDerWaalsContact OE2-CB 3.29Å; E415-S418 WeakPolarHBondContact OE2-CB 3.29Å; S418-K421 PolarHBondContact O-N 3.27Å; S418-L422 PolarHBondContact O-N 2.99Å |
| 419 | H | 86.7 | Confident | 88.6 | Confident | 18 Ų | 18 | 55.9 Ų | 55.9 | 8% | 0.083 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.4 | -50.2 | -179.9 | -166.2 | 66.7 | 0 | 0 | 0 | 111.9 | E415 K421 L422 Y423 F456 Q459 | E415-H419 WeakPolarHBondContact O-CB 3.47Å; E415-H419 PolarHBondContact O-N 3.04Å; H419-K421 VanDerWaalsContact C-N 3.33Å; H419-K421 PolarHBondContact O-N 2.96Å; H419-L422 PolarHBondContact O-N 3.15Å; H419-Y423 PolarHBondContact O-N 2.88Å; H419-Y423 VanDerWaalsContact O-N 3.14Å; H419-F456 AromaticContact CD2-CE2 3.67Å; H419-F456 AromaticContact NE2-CD2 3.72Å; H419-F456 AromaticContact NE2-CE2 3.82Å; H419-Q459 PolarHBondContact CE1-OE1 3.02Å |
| 420 | T | 88.4 | Confident | 88.4 | Confident | 15 Ų | 15 | 57.2 Ų | 57.2 | 9% | 0.092 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.2 | -41.7 | 176.7 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | I21 Y25 S416 L422 Y423 F424 | I21-T420 HydrophobicContact CD1-CG2 4.29Å; Y25-T420 PolarHBondContact OH-OG1 3.41Å; S416-T420 WeakPolarHBondContact O-CB 3.39Å; S416-T420 PolarHBondContact O-N 2.88Å; S416-T420 PolarHBondContact O-OG1 3.35Å; T420-L422 PolarHBondContact O-N 3.22Å; T420-Y423 PolarHBondContact O-N 2.79Å; T420-F424 HydrophobicContact CG2-CD2 3.75Å; T420-F424 HydrophobicContact CG2-CE2 3.79Å; T420-F424 WeakPolarHBondContact O-CD2 3.38Å; T420-F424 PolarHBondContact O-N 2.92Å; T420-F424 VanDerWaalsContact O-N 3.11Å |
| 421 | K | 87.2 | Confident | 88.1 | Confident | 122 Ų | 122 | 55.9 Ų | 55.9 | 53% | 0.53 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 178.3 | -179.9 | -173.6 | 173.5 | -168.1 | 0 | 111.7 | W417 S418 H419 T425 | W417-K421 WeakPolarHBondContact O-CB 3.4Å; W417-K421 PolarHBondContact O-N 3.2Å; S418-K421 PolarHBondContact O-N 3.27Å; H419-K421 VanDerWaalsContact C-N 3.33Å; H419-K421 PolarHBondContact O-N 2.96Å; K421-T425 WeakPolarHBondContact O-CB 3.17Å; K421-T425 PolarHBondContact O-N 2.78Å; K421-T425 PolarHBondContact O-OG1 3.24Å |
| 422 | L | 86.7 | Confident | 88 | Confident | 91 Ų | 91 | 60.9 Ų | 60.9 | 48% | 0.476 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.8 | -47.3 | 178.8 | -178.9 | 58.1 | 0 | 0 | 0 | 111.1 | N387 S418 H419 T420 T425 G426 | N387-L422 WeakPolarHBondContact OD1-CD2 3.04Å; S418-L422 PolarHBondContact O-N 2.99Å; H419-L422 PolarHBondContact O-N 3.15Å; T420-L422 PolarHBondContact O-N 3.22Å; L422-T425 PolarHBondContact O-N 2.8Å; L422-G426 PolarHBondContact O-N 3.16Å |
| 423 | Y | 89.3 | Confident | 87.6 | Confident | 48 Ų | 48 | 61.5 Ų | 61.5 | 19% | 0.188 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -54 | -54.5 | 174.9 | 170.5 | -100.6 | 0 | 0 | 0 | 112.8 | H419 T420 T425 G426 L427 L452 T453 F456 | H419-Y423 PolarHBondContact O-N 2.88Å; H419-Y423 VanDerWaalsContact O-N 3.14Å; T420-Y423 PolarHBondContact O-N 2.79Å; Y423-T425 VanDerWaalsContact C-N 3.29Å; Y423-T425 PolarHBondContact O-N 2.84Å; Y423-G426 PolarHBondContact O-N 2.8Å; Y423-G426 VanDerWaalsContact O-N 3.14Å; Y423-L427 HydrophobicContact CD1-CD1 4.24Å; Y423-L427 HydrophobicContact CE1-CD1 3.63Å; Y423-L427 HydrophobicContact CE2-CD1 4.21Å; Y423-L427 PolarHBondContact O-N 3.4Å; Y423-L452 HydrophobicContact CD2-CD2 3.52Å; Y423-L452 HydrophobicContact CE2-CD2 3.74Å; Y423-L452 HydrophobicContact CG-CD2 4.44Å; Y423-T453 HydrophobicContact CE2-CG2 4.11Å; Y423-F456 HydrophobicContact CD1-CE1 4.49Å; Y423-F456 HydrophobicContact CD1-CZ 4.46Å; Y423-F456 HydrophobicContact CD2-CB 3.66Å; Y423-F456 AromaticContact CD2-CD1 3.92Å; Y423-F456 HydrophobicContact CD2-CD1 3.92Å; Y423-F456 AromaticContact CD2-CD2 3.86Å; Y423-F456 HydrophobicContact CD2-CD2 3.86Å; Y423-F456 HydrophobicContact CD2-CE2 4.46Å; Y423-F456 AromaticContact CD2-CG 3.54Å; Y423-F456 HydrophobicContact CD2-CG 3.54Å; Y423-F456 HydrophobicContact CE1-CD1 4.49Å; Y423-F456 HydrophobicContact CE1-CE1 4.4Å; Y423-F456 HydrophobicContact CE2-CB 3.81Å; Y423-F456 AromaticContact CE2-CD1 3.74Å; Y423-F456 HydrophobicContact CE2-CD1 3.74Å; Y423-F456 HydrophobicContact CE2-CE1 4.42Å; Y423-F456 AromaticContact CE2-CG 3.78Å; Y423-F456 HydrophobicContact CE2-CG 3.78Å; Y423-F456 HydrophobicContact CG-CD1 4.36Å; Y423-F456 AromaticContact CG-CD2 3.99Å; Y423-F456 HydrophobicContact CG-CD2 3.99Å; Y423-F456 HydrophobicContact CG-CE2 4.18Å; Y423-F456 HydrophobicContact CG-CG 4.08Å; Y423-F456 HydrophobicContact CG-CZ 4.44Å |
| 424 | F | 88.6 | Confident | 87.2 | Confident | 132 Ų | 132 | 65.1 Ų | 65.1 | 58% | 0.579 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -64.9 | -30.8 | 177.9 | -83.4 | -72.5 | 0 | 0 | 0 | 113.4 | T420 L428 | T420-F424 HydrophobicContact CG2-CD2 3.75Å; T420-F424 HydrophobicContact CG2-CE2 3.79Å; T420-F424 WeakPolarHBondContact O-CD2 3.38Å; T420-F424 PolarHBondContact O-N 2.92Å; T420-F424 VanDerWaalsContact O-N 3.11Å; F424-L428 WeakPolarHBondContact O-CB 3.32Å; F424-L428 PolarHBondContact O-N 3.46Å |
| 425 | T | 87.3 | Confident | 87 | Confident | 74 Ų | 74 | 64.9 Ų | 64.9 | 45% | 0.454 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68.8 | -38.1 | 174.4 | -54.2 | 0 | 0 | 0 | 0 | 111.1 | K421 L422 Y423 L428 L429 | K421-T425 WeakPolarHBondContact O-CB 3.17Å; K421-T425 PolarHBondContact O-N 2.78Å; K421-T425 PolarHBondContact O-OG1 3.24Å; L422-T425 PolarHBondContact O-N 2.8Å; Y423-T425 VanDerWaalsContact C-N 3.29Å; Y423-T425 PolarHBondContact O-N 2.84Å; T425-L428 PolarHBondContact O-N 3.15Å; T425-L429 WeakPolarHBondContact O-CB 3.22Å; T425-L429 PolarHBondContact O-N 3.29Å |
| 426 | G | 86.3 | Confident | 86.5 | Confident | 16 Ų | 16 | 66 Ų | 66 | 17% | 0.165 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.7 | -50 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L422 Y423 L428 L429 L430 | L422-G426 PolarHBondContact O-N 3.16Å; Y423-G426 PolarHBondContact O-N 2.8Å; Y423-G426 VanDerWaalsContact O-N 3.14Å; G426-L428 VanDerWaalsContact C-N 3.33Å; G426-L428 PolarHBondContact O-N 3.4Å; G426-L429 PolarHBondContact O-N 2.76Å; G426-L430 WeakPolarHBondContact O-CG 3.41Å; G426-L430 PolarHBondContact O-N 3.45Å |
| 427 | L | 87.5 | Confident | 85.9 | Confident | 43 Ų | 43 | 73.3 Ų | 73.3 | 23% | 0.225 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57.5 | -43.2 | 175.5 | -70.5 | 178.9 | 0 | 0 | 0 | 112.6 | Y423 L430 G431 V449 L452 T453 | Y423-L427 HydrophobicContact CD1-CD1 4.24Å; Y423-L427 HydrophobicContact CE1-CD1 3.63Å; Y423-L427 HydrophobicContact CE2-CD1 4.21Å; Y423-L427 PolarHBondContact O-N 3.4Å; L427-L430 PolarHBondContact O-N 3.19Å; L427-G431 PolarHBondContact O-N 3.38Å; L427-V449 HydrophobicContact CD2-CG1 4.01Å; L427-V449 HydrophobicContact CD2-CG2 4.27Å; L427-L452 HydrophobicContact CD2-CD2 3.83Å; L427-L452 HydrophobicContact CG-CD2 3.91Å; L427-T453 HydrophobicContact CD2-CG2 4.22Å |
| 428 | L | 88.4 | Confident | 85 | Confident | 119 Ų | 119 | 74.5 Ų | 74.5 | 62% | 0.623 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -64.3 | -40.7 | 177.5 | -177.2 | 64 | 0 | 0 | 0 | 112.2 | F424 T425 G426 G431 L432 | F424-L428 WeakPolarHBondContact O-CB 3.32Å; F424-L428 PolarHBondContact O-N 3.46Å; T425-L428 PolarHBondContact O-N 3.15Å; G426-L428 VanDerWaalsContact C-N 3.33Å; G426-L428 PolarHBondContact O-N 3.4Å; L428-G431 PolarHBondContact O-N 3.27Å; L428-L432 WeakPolarHBondContact O-CG 3.43Å; L428-L432 PolarHBondContact O-N 3.05Å |
| 429 | L | 88.6 | Confident | 83.9 | Confident | 108 Ų | 108 | 73.3 Ų | 73.3 | 57% | 0.565 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -67 | -41.5 | 178.2 | -175.9 | 64.5 | 0 | 0 | 0 | 112 | T425 G426 L432 G433 | T425-L429 WeakPolarHBondContact O-CB 3.22Å; T425-L429 PolarHBondContact O-N 3.29Å; G426-L429 PolarHBondContact O-N 2.76Å; L429-L432 PolarHBondContact O-N 2.75Å; L429-G433 PolarHBondContact O-N 3.03Å |
| 430 | L | 86.3 | Confident | 82.9 | Confident | 28 Ų | 28 | 75.3 Ų | 75.3 | 15% | 0.147 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -69.5 | -36.6 | 176.5 | -66.5 | 173.6 | 0 | 0 | 0 | 112 | G426 L427 G433 F434 A448 V449 L452 | G426-L430 WeakPolarHBondContact O-CG 3.41Å; G426-L430 PolarHBondContact O-N 3.45Å; L427-L430 PolarHBondContact O-N 3.19Å; L430-G433 WeakPolarHBondContact O-CA 3.42Å; L430-G433 PolarHBondContact O-N 3.14Å; L430-G433 VanDerWaalsContact O-N 3.14Å; L430-F434 PolarHBondContact O-N 3.49Å; L430-A448 HydrophobicContact CD1-CB 3.72Å; L430-A448 HydrophobicContact CD2-CB 3.65Å; L430-A448 HydrophobicContact CG-CB 4.32Å; L430-V449 HydrophobicContact CB-CG2 3.78Å; L430-V449 HydrophobicContact CD1-CG2 3.88Å; L430-V449 HydrophobicContact CG-CG2 4.49Å; L430-L452 HydrophobicContact CD1-CD1 4.41Å |
| 431 | G | 84.7 | Confident | 82.1 | Confident | 33 Ų | 33 | 78 Ų | 78 | 34% | 0.34 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L427 L428 G433 F434 L435 | L427-G431 PolarHBondContact O-N 3.38Å; L428-G431 PolarHBondContact O-N 3.27Å; G431-G433 VanDerWaalsContact C-N 3.31Å; G431-G433 PolarHBondContact O-N 3.34Å; G431-F434 PolarHBondContact O-N 3.15Å; G431-L435 WeakPolarHBondContact O-CG 3.23Å; G431-L435 PolarHBondContact O-N 2.94Å |
| 432 | L | 87.7 | Confident | 81.7 | Confident | 105 Ų | 105 | 74.2 Ų | 74.2 | 55% | 0.55 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.9 | -33.7 | 171.6 | -71.4 | 170.3 | 0 | 0 | 0 | 112.4 | L428 L429 L435 | L428-L432 WeakPolarHBondContact O-CG 3.43Å; L428-L432 PolarHBondContact O-N 3.05Å; L429-L432 PolarHBondContact O-N 2.75Å; L432-L435 HydrophobicContact CD2-CD1 4.47Å |
| 433 | G | 82.5 | Confident | 81.1 | Confident | 16 Ų | 16 | 72.2 Ų | 72.2 | 17% | 0.165 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.9 | -44.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L429 L430 G431 L435 T436 | L429-G433 PolarHBondContact O-N 3.03Å; L430-G433 WeakPolarHBondContact O-CA 3.42Å; L430-G433 PolarHBondContact O-N 3.14Å; L430-G433 VanDerWaalsContact O-N 3.14Å; G431-G433 VanDerWaalsContact C-N 3.31Å; G431-G433 PolarHBondContact O-N 3.34Å; G433-L435 VanDerWaalsContact C-N 3.25Å; G433-L435 PolarHBondContact O-N 3.42Å; G433-T436 WeakPolarHBondContact O-CB 3.33Å; G433-T436 PolarHBondContact O-N 2.9Å; G433-T436 PolarHBondContact O-OG1 2.89Å |
| 434 | F | 84 | Confident | 80.6 | Confident | 85 Ų | 85 | 73.3 Ų | 73.3 | 37% | 0.373 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.7 | -31.5 | 177.7 | -171.3 | -91.5 | 0 | 0 | 0 | 113 | L430 G431 T436 Q442 C445 L446 | L430-F434 PolarHBondContact O-N 3.49Å; G431-F434 PolarHBondContact O-N 3.15Å; F434-T436 PolarHBondContact O-N 3.45Å; F434-T436 VanDerWaalsContact O-N 3.13Å; F434-Q442 HydrophobicContact CD2-CB 3.91Å; F434-Q442 HydrophobicContact CD2-CG 3.88Å; F434-Q442 HydrophobicContact CE2-CB 3.84Å; F434-Q442 HydrophobicContact CE2-CG 4.01Å; F434-Q442 HydrophobicContact CG-CG 4.27Å; F434-Q442 WeakPolarHBondContact O-CG 3.3Å; F434-Q442 PolarHBondContact O-NE2 3.48Å; F434-C445 HydrophobicContact CB-CB 4.19Å; F434-L446 HydrophobicContact CE2-CB 4.46Å; F434-L446 HydrophobicContact CE2-CD1 4.15Å |
| 435 | L | 85 | Confident | 80.3 | Confident | 107 Ų | 107 | 67.2 Ų | 67.2 | 56% | 0.56 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | 6.4 | 173 | -69.2 | 169.9 | 0 | 0 | 0 | 114.5 | G431 L432 G433 F437 | G431-L435 WeakPolarHBondContact O-CG 3.23Å; G431-L435 PolarHBondContact O-N 2.94Å; L432-L435 HydrophobicContact CD2-CD1 4.47Å; G433-L435 VanDerWaalsContact C-N 3.25Å; G433-L435 PolarHBondContact O-N 3.42Å; L435-F437 VanDerWaalsContact C-N 3.33Å; L435-F437 HydrophobicContact CD2-CZ 4.44Å; L435-F437 WeakPolarHBondContact O-CD2 3.46Å; L435-F437 WeakPolarHBondContact O-CE2 3.37Å |
| 436 | T | 77.4 | Confident | 80.1 | Confident | 83 Ų | 83 | 66.5 Ų | 66.5 | 51% | 0.509 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -11.6 | 174.4 | -47.5 | 0 | 0 | 0 | 0 | 112.8 | G433 F434 H438 | G433-T436 WeakPolarHBondContact O-CB 3.33Å; G433-T436 PolarHBondContact O-N 2.9Å; G433-T436 PolarHBondContact O-OG1 2.89Å; F434-T436 PolarHBondContact O-N 3.45Å; F434-T436 VanDerWaalsContact O-N 3.13Å; T436-H438 PolarHBondContact O-N 3.24Å |
| 437 | F | 75.3 | Confident | 79.9 | Confident | 155 Ų | 155 | 66.8 Ų | 66.8 | 68% | 0.68 | 35% | 0.351 | S | S | * | . | trans | 55.1 | 21.2 | 178.2 | -62 | -79.7 | 0 | 0 | 0 | 116.2 | L435 | L435-F437 VanDerWaalsContact C-N 3.33Å; L435-F437 HydrophobicContact CD2-CZ 4.44Å; L435-F437 WeakPolarHBondContact O-CD2 3.46Å; L435-F437 WeakPolarHBondContact O-CE2 3.37Å | ||
| 438 | H | 69.7 | Low | 79.7 | Confident | 101 Ų | 101 | 65.3 Ų | 65.3 | 47% | 0.468 | 34% | 0.344 | S | S | . | . | trans | -100 | 120 | 171.6 | -176.1 | -2.3 | 0 | 0 | 0 | 108.6 | T436 T440 M441 Q442 | T436-H438 PolarHBondContact O-N 3.24Å; H438-T440 PolarHBondContact O-N 3.46Å; H438-M441 HydrophobicContact CB-CB 4.2Å; H438-M441 HydrophobicContact CB-CG 4.1Å; H438-M441 WeakPolarHBondContact O-CA 3.21Å; H438-M441 WeakPolarHBondContact O-CB 3.41Å; H438-M441 PolarHBondContact O-N 3.11Å; H438-Q442 PolarHBondContact O-N 3.34Å | ||
| 439 | P | 63.9 | Low | 79.7 | Confident | 41 Ų | 41 | 62 Ų | 62 | 27% | 0.266 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -54.3 | -46.7 | -170.3 | 13.5 | -29.4 | 0 | 0 | 0 | 113.9 | M441 Q442 E443 | P439-M441 VanDerWaalsContact C-N 3.25Å; P439-M441 PolarHBondContact O-N 2.85Å; P439-Q442 CarbonylContact O-C 3.59Å; P439-Q442 WeakPolarHBondContact O-CA 3.49Å; P439-Q442 PolarHBondContact O-N 2.89Å; P439-E443 PolarHBondContact O-N 2.95Å |
| 440 | T | 65.2 | Low | 79.7 | Confident | 59 Ų | 59 | 57.8 Ų | 57.8 | 36% | 0.362 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.7 | -33.8 | 176.9 | -41.7 | 0 | 0 | 0 | 0 | 113.3 | H438 F444 | H438-T440 PolarHBondContact O-N 3.46Å; T440-F444 WeakPolarHBondContact O-CB 3.38Å; T440-F444 PolarHBondContact O-N 3.03Å |
| 441 | M | 72.2 | Confident | 79.7 | Confident | 72 Ų | 72 | 56.5 Ų | 56.5 | 36% | 0.355 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -77.2 | -31.2 | 174.9 | -65.3 | -67.8 | -67.3 | 0 | 0 | 111.9 | H438 P439 C445 | H438-M441 HydrophobicContact CB-CB 4.2Å; H438-M441 HydrophobicContact CB-CG 4.1Å; H438-M441 WeakPolarHBondContact O-CA 3.21Å; H438-M441 WeakPolarHBondContact O-CB 3.41Å; H438-M441 PolarHBondContact O-N 3.11Å; P439-M441 VanDerWaalsContact C-N 3.25Å; P439-M441 PolarHBondContact O-N 2.85Å; M441-C445 VanDerWaalsContact O-CB 3.31Å; M441-C445 WeakPolarHBondContact O-CB 3.47Å; M441-C445 PolarHBondContact O-N 2.95Å; M441-C445 PolarHBondContact O-SG 3.48Å |
| 442 | Q | 79.4 | Confident | 79.9 | Confident | 43 Ų | 43 | 56.6 Ų | 56.6 | 20% | 0.201 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -73.4 | -44 | 176.9 | -72.3 | 178.9 | -43.6 | 0 | 0 | 111.7 | F434 H438 P439 F444 C445 L446 | F434-Q442 HydrophobicContact CD2-CB 3.91Å; F434-Q442 HydrophobicContact CD2-CG 3.88Å; F434-Q442 HydrophobicContact CE2-CB 3.84Å; F434-Q442 HydrophobicContact CE2-CG 4.01Å; F434-Q442 HydrophobicContact CG-CG 4.27Å; F434-Q442 WeakPolarHBondContact O-CG 3.3Å; F434-Q442 PolarHBondContact O-NE2 3.48Å; H438-Q442 PolarHBondContact O-N 3.34Å; P439-Q442 CarbonylContact O-C 3.59Å; P439-Q442 WeakPolarHBondContact O-CA 3.49Å; P439-Q442 PolarHBondContact O-N 2.89Å; Q442-F444 VanDerWaalsContact C-N 3.33Å; Q442-F444 PolarHBondContact O-N 3.25Å; Q442-C445 PolarHBondContact O-N 3.48Å; Q442-L446 WeakPolarHBondContact O-CB 3.49Å; Q442-L446 PolarHBondContact O-N 2.8Å |
| 443 | E | 74.4 | Confident | 79.9 | Confident | 48 Ų | 48 | 53.8 Ų | 53.8 | 22% | 0.224 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -51.3 | -52.3 | 168.2 | -76.4 | 175 | -131.6 | 0 | 0 | 110.5 | T369 P439 L446 F447 | T369-E443 PolarHBondContact N-OE2 2.9Å; T369-E443 PolarHBondContact OG1-OE1 3.29Å; T369-E443 PolarHBondContact OG1-OE2 3.16Å; T369-E443 VanDerWaalsContact OG1-OE2 3.09Å; P439-E443 PolarHBondContact O-N 2.95Å; E443-L446 PolarHBondContact O-N 3.05Å; E443-F447 WeakPolarHBondContact O-CB 3.4Å; E443-F447 PolarHBondContact O-N 2.97Å |
| 444 | F | 78 | Confident | 80.3 | Confident | 71 Ų | 71 | 53.2 Ų | 53.2 | 31% | 0.311 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.5 | -49.3 | 178.3 | 178.2 | -86.7 | 0 | 0 | 0 | 112.9 | F376 T440 Q442 L446 A448 | F376-F444 HydrophobicContact CD2-CD2 4.27Å; F376-F444 AromaticContact CD2-CE2 3.74Å; F376-F444 HydrophobicContact CD2-CE2 3.74Å; F376-F444 HydrophobicContact CD2-CZ 4.22Å; T440-F444 WeakPolarHBondContact O-CB 3.38Å; T440-F444 PolarHBondContact O-N 3.03Å; Q442-F444 VanDerWaalsContact C-N 3.33Å; Q442-F444 PolarHBondContact O-N 3.25Å; F444-L446 VanDerWaalsContact C-N 3.34Å; F444-L446 PolarHBondContact O-N 3.01Å; F444-A448 VanDerWaalsContact O-CB 3.23Å; F444-A448 WeakPolarHBondContact O-CB 3.48Å; F444-A448 PolarHBondContact O-N 3.31Å |
| 445 | C | 83.2 | Confident | 80.6 | Confident | 5 Ų | 5 | 49.5 Ų | 49.5 | 3% | 0.034 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67 | -36.8 | -177.2 | -69.8 | 0 | 0 | 0 | 0 | 112 | F434 M441 Q442 A448 V449 | F434-C445 HydrophobicContact CB-CB 4.19Å; M441-C445 VanDerWaalsContact O-CB 3.31Å; M441-C445 WeakPolarHBondContact O-CB 3.47Å; M441-C445 PolarHBondContact O-N 2.95Å; M441-C445 PolarHBondContact O-SG 3.48Å; Q442-C445 PolarHBondContact O-N 3.48Å; C445-A448 PolarHBondContact O-N 2.94Å; C445-V449 WeakPolarHBondContact O-CG2 3.45Å; C445-V449 PolarHBondContact O-N 3.45Å |
| 446 | L | 82.4 | Confident | 80.8 | Confident | 59 Ų | 59 | 46.3 Ų | 46.3 | 31% | 0.309 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -70.2 | -44.2 | 179.2 | -170.4 | 146.5 | 0 | 0 | 0 | 111.1 | L365 F434 Q442 E443 F444 A448 V449 V450 | L365-L446 HydrophobicContact CD1-CD2 3.41Å; L365-L446 VanDerWaalsContact CD1-CD2 3.41Å; L365-L446 HydrophobicContact CD2-CD1 4.38Å; L365-L446 HydrophobicContact CD2-CD2 3.93Å; L365-L446 HydrophobicContact CG-CD2 4.28Å; F434-L446 HydrophobicContact CE2-CB 4.46Å; F434-L446 HydrophobicContact CE2-CD1 4.15Å; Q442-L446 WeakPolarHBondContact O-CB 3.49Å; Q442-L446 PolarHBondContact O-N 2.8Å; E443-L446 PolarHBondContact O-N 3.05Å; F444-L446 VanDerWaalsContact C-N 3.34Å; F444-L446 PolarHBondContact O-N 3.01Å; L446-A448 VanDerWaalsContact C-N 3.32Å; L446-A448 PolarHBondContact O-N 3.29Å; L446-V449 PolarHBondContact O-N 3.09Å; L446-V450 PolarHBondContact O-N 3.03Å; L446-V450 VanDerWaalsContact O-N 3.16Å |
| 447 | F | 83 | Confident | 81.5 | Confident | 22 Ų | 22 | 44.9 Ų | 44.9 | 10% | 0.096 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.7 | -39.7 | 171.9 | -176.1 | -133.3 | 0 | 0 | 0 | 112.1 | I357 F376 E443 V449 V450 G451 | I357-F447 HydrophobicContact CG1-CE2 3.88Å; I357-F447 HydrophobicContact CG1-CZ 3.71Å; F376-F447 HydrophobicContact CD1-CD1 4.02Å; F376-F447 AromaticContact CD1-CE1 3.44Å; F376-F447 HydrophobicContact CD1-CE1 3.44Å; F376-F447 VanDerWaalsContact CD1-CE1 3.44Å; F376-F447 HydrophobicContact CD1-CZ 4.29Å; F376-F447 HydrophobicContact CD2-CD1 4.19Å; F376-F447 HydrophobicContact CD2-CE1 4.43Å; F376-F447 AromaticContact CE1-CD1 3.63Å; F376-F447 HydrophobicContact CE1-CD1 3.63Å; F376-F447 AromaticContact CE1-CE1 3.16Å; F376-F447 HydrophobicContact CE1-CE1 3.16Å; F376-F447 AromaticContact CE1-CZ 3.77Å; F376-F447 HydrophobicContact CE1-CZ 3.77Å; F376-F447 AromaticContact CE2-CD1 3.82Å; F376-F447 HydrophobicContact CE2-CD1 3.82Å; F376-F447 HydrophobicContact CE2-CE1 4.21Å; F376-F447 HydrophobicContact CG-CD1 4.28Å; F376-F447 HydrophobicContact CG-CE1 4.08Å; F376-F447 AromaticContact CZ-CD1 3.52Å; F376-F447 HydrophobicContact CZ-CD1 3.52Å; F376-F447 AromaticContact CZ-CE1 3.59Å; F376-F447 HydrophobicContact CZ-CE1 3.59Å; F376-F447 HydrophobicContact CZ-CG 4.2Å; F376-F447 HydrophobicContact CZ-CZ 4.3Å; E443-F447 WeakPolarHBondContact O-CB 3.4Å; E443-F447 PolarHBondContact O-N 2.97Å; F447-V449 PolarHBondContact O-N 3.1Å; F447-V450 PolarHBondContact O-N 3.33Å; F447-G451 PolarHBondContact O-N 3.44Å |
| 448 | A | 83.2 | Confident | 82.3 | Confident | 11 Ų | 11 | 37.6 Ų | 37.6 | 9% | 0.091 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.2 | -35.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | F376 L430 F444 C445 L446 L452 | F376-A448 HydrophobicContact CE2-CB 3.97Å; L430-A448 HydrophobicContact CD1-CB 3.72Å; L430-A448 HydrophobicContact CD2-CB 3.65Å; L430-A448 HydrophobicContact CG-CB 4.32Å; F444-A448 VanDerWaalsContact O-CB 3.23Å; F444-A448 WeakPolarHBondContact O-CB 3.48Å; F444-A448 PolarHBondContact O-N 3.31Å; C445-A448 PolarHBondContact O-N 2.94Å; L446-A448 VanDerWaalsContact C-N 3.32Å; L446-A448 PolarHBondContact O-N 3.29Å; A448-L452 WeakPolarHBondContact O-CB 3.39Å; A448-L452 PolarHBondContact O-N 2.69Å |
| 449 | V | 87.3 | Confident | 83.3 | Confident | 49 Ų | 49 | 32.8 Ų | 32.8 | 30% | 0.297 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -65.5 | -45 | 173.8 | 165.7 | 0 | 0 | 0 | 0 | 110.4 | L427 L430 C445 L446 F447 L452 T453 | L427-V449 HydrophobicContact CD2-CG1 4.01Å; L427-V449 HydrophobicContact CD2-CG2 4.27Å; L430-V449 HydrophobicContact CB-CG2 3.78Å; L430-V449 HydrophobicContact CD1-CG2 3.88Å; L430-V449 HydrophobicContact CG-CG2 4.49Å; C445-V449 WeakPolarHBondContact O-CG2 3.45Å; C445-V449 PolarHBondContact O-N 3.45Å; L446-V449 PolarHBondContact O-N 3.09Å; F447-V449 PolarHBondContact O-N 3.1Å; V449-L452 PolarHBondContact O-N 2.76Å; V449-T453 WeakPolarHBondContact O-CB 3.45Å; V449-T453 WeakPolarHBondContact O-CG2 3.4Å; V449-T453 PolarHBondContact O-N 3.11Å; V449-T453 PolarHBondContact O-OG1 2.91Å |
| 450 | V | 88 | Confident | 84.5 | Confident | 20 Ų | 20 | 31.6 Ų | 31.6 | 12% | 0.121 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.8 | -47.7 | 175.4 | -175.2 | 0 | 0 | 0 | 0 | 110.6 | L359 L446 F447 L452 T453 T454 | L359-V450 HydrophobicContact CB-CG1 3.81Å; L359-V450 HydrophobicContact CD1-CG1 3.84Å; L359-V450 HydrophobicContact CG-CG1 4.5Å; L446-V450 PolarHBondContact O-N 3.03Å; L446-V450 VanDerWaalsContact O-N 3.16Å; F447-V450 PolarHBondContact O-N 3.33Å; V450-L452 PolarHBondContact O-N 3.49Å; V450-T453 WeakPolarHBondContact CA-OG1 3.39Å; V450-T453 PolarHBondContact O-N 3.08Å; V450-T453 PolarHBondContact O-OG1 3.49Å; V450-T454 HydrophobicContact CG1-CG2 4.36Å; V450-T454 WeakPolarHBondContact O-CG2 3.48Å; V450-T454 PolarHBondContact O-N 3.12Å; V450-T454 PolarHBondContact O-OG1 3.5Å |
| 451 | G | 86.7 | Confident | 85.8 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60 | -40.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | F447 T454 D455 | F447-G451 PolarHBondContact O-N 3.44Å; G451-T454 PolarHBondContact O-OG1 3.46Å; G451-T454 VanDerWaalsContact O-OG1 3.08Å; G451-D455 WeakPolarHBondContact O-CB 3.47Å; G451-D455 PolarHBondContact O-N 3.02Å |
| 452 | L | 88.5 | Confident | 86.7 | Confident | 36 Ų | 36 | 29.2 Ų | 29.2 | 19% | 0.188 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -73.3 | -28.2 | 179.4 | -177 | 141.5 | 0 | 0 | 0 | 112.5 | Y423 L427 L430 A448 V449 V450 F456 | Y423-L452 HydrophobicContact CD2-CD2 3.52Å; Y423-L452 HydrophobicContact CE2-CD2 3.74Å; Y423-L452 HydrophobicContact CG-CD2 4.44Å; L427-L452 HydrophobicContact CD2-CD2 3.83Å; L427-L452 HydrophobicContact CG-CD2 3.91Å; L430-L452 HydrophobicContact CD1-CD1 4.41Å; A448-L452 WeakPolarHBondContact O-CB 3.39Å; A448-L452 PolarHBondContact O-N 2.69Å; V449-L452 PolarHBondContact O-N 2.76Å; V450-L452 PolarHBondContact O-N 3.49Å; L452-F456 WeakPolarHBondContact O-CB 3.29Å; L452-F456 PolarHBondContact O-N 3.4Å |
| 453 | T | 89.5 | Confident | 87.2 | Confident | 46 Ų | 46 | 27.2 Ų | 27.2 | 28% | 0.282 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -78.2 | -39.3 | 174.2 | 52 | 0 | 0 | 0 | 0 | 112.8 | Y423 L427 V449 V450 F457 | Y423-T453 HydrophobicContact CE2-CG2 4.11Å; L427-T453 HydrophobicContact CD2-CG2 4.22Å; V449-T453 WeakPolarHBondContact O-CB 3.45Å; V449-T453 WeakPolarHBondContact O-CG2 3.4Å; V449-T453 PolarHBondContact O-N 3.11Å; V449-T453 PolarHBondContact O-OG1 2.91Å; V450-T453 WeakPolarHBondContact CA-OG1 3.39Å; V450-T453 PolarHBondContact O-N 3.08Å; V450-T453 PolarHBondContact O-OG1 3.49Å; T453-F457 WeakPolarHBondContact O-CB 3.24Å; T453-F457 PolarHBondContact O-N 3.39Å; T453-F457 VanDerWaalsContact O-N 3.14Å |
| 454 | T | 90.1 | Very high | 88 | Confident | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.018 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -68 | -40.8 | 174.4 | 58.3 | 0 | 0 | 0 | 0 | 111.9 | S352 M355 L359 V450 G451 F457 L458 | S352-T454 PolarHBondContact O-OG1 3.19Å; M355-T454 HydrophobicContact CB-CG2 4.14Å; M355-T454 HydrophobicContact CE-CG2 3.89Å; M355-T454 HydrophobicContact CG-CG2 3.63Å; M355-T454 HydrophobicContact SD-CG2 3.7Å; L359-T454 HydrophobicContact CD1-CG2 3.71Å; V450-T454 HydrophobicContact CG1-CG2 4.36Å; V450-T454 WeakPolarHBondContact O-CG2 3.48Å; V450-T454 PolarHBondContact O-N 3.12Å; V450-T454 PolarHBondContact O-OG1 3.5Å; G451-T454 PolarHBondContact O-OG1 3.46Å; G451-T454 VanDerWaalsContact O-OG1 3.08Å; T454-F457 PolarHBondContact O-N 2.77Å; T454-L458 WeakPolarHBondContact O-CG 3.23Å; T454-L458 PolarHBondContact O-N 3.3Å |
| 455 | D | 89.9 | Confident | 88.6 | Confident | 7 Ų | 7 | 21.7 Ų | 21.7 | 4% | 0.037 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.1 | -47.8 | 177.2 | -176.1 | 55.6 | 0 | 0 | 0 | 112.5 | G384 G451 F457 L458 Q459 | G384-D455 WeakPolarHBondContact CA-OD2 3.4Å; G451-D455 WeakPolarHBondContact O-CB 3.47Å; G451-D455 PolarHBondContact O-N 3.02Å; D455-F457 PolarHBondContact O-N 3.45Å; D455-L458 PolarHBondContact O-N 3.28Å; D455-Q459 WeakPolarHBondContact O-CB 3.23Å; D455-Q459 VanDerWaalsContact O-CG 3.27Å; D455-Q459 WeakPolarHBondContact O-CG 3.27Å; D455-Q459 PolarHBondContact O-N 3.45Å; D455-Q459 PolarHBondContact OD1-NE2 3.27Å; D455-Q459 PolarHBondContact OD2-NE2 2.95Å |
| 456 | F | 89.9 | Confident | 89 | Confident | 40 Ų | 40 | 23.3 Ų | 23.3 | 18% | 0.175 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61 | -42.8 | 175.6 | 176.1 | -104.2 | 0 | 0 | 0 | 112.6 | H419 Y423 L452 L460 | H419-F456 AromaticContact CD2-CE2 3.67Å; H419-F456 AromaticContact NE2-CD2 3.72Å; H419-F456 AromaticContact NE2-CE2 3.82Å; Y423-F456 HydrophobicContact CD1-CE1 4.49Å; Y423-F456 HydrophobicContact CD1-CZ 4.46Å; Y423-F456 HydrophobicContact CD2-CB 3.66Å; Y423-F456 AromaticContact CD2-CD1 3.92Å; Y423-F456 HydrophobicContact CD2-CD1 3.92Å; Y423-F456 AromaticContact CD2-CD2 3.86Å; Y423-F456 HydrophobicContact CD2-CD2 3.86Å; Y423-F456 HydrophobicContact CD2-CE2 4.46Å; Y423-F456 AromaticContact CD2-CG 3.54Å; Y423-F456 HydrophobicContact CD2-CG 3.54Å; Y423-F456 HydrophobicContact CE1-CD1 4.49Å; Y423-F456 HydrophobicContact CE1-CE1 4.4Å; Y423-F456 HydrophobicContact CE2-CB 3.81Å; Y423-F456 AromaticContact CE2-CD1 3.74Å; Y423-F456 HydrophobicContact CE2-CD1 3.74Å; Y423-F456 HydrophobicContact CE2-CE1 4.42Å; Y423-F456 AromaticContact CE2-CG 3.78Å; Y423-F456 HydrophobicContact CE2-CG 3.78Å; Y423-F456 HydrophobicContact CG-CD1 4.36Å; Y423-F456 AromaticContact CG-CD2 3.99Å; Y423-F456 HydrophobicContact CG-CD2 3.99Å; Y423-F456 HydrophobicContact CG-CE2 4.18Å; Y423-F456 HydrophobicContact CG-CG 4.08Å; Y423-F456 HydrophobicContact CG-CZ 4.44Å; L452-F456 WeakPolarHBondContact O-CB 3.29Å; L452-F456 PolarHBondContact O-N 3.4Å; F456-L460 HydrophobicContact CD1-CD1 4.29Å; F456-L460 HydrophobicContact CD2-CD1 4.45Å; F456-L460 HydrophobicContact CE1-CD1 3.75Å; F456-L460 HydrophobicContact CE2-CD1 3.94Å; F456-L460 HydrophobicContact CZ-CD1 3.56Å; F456-L460 PolarHBondContact O-N 3.07Å |
| 457 | F | 91.8 | Very high | 89.2 | Confident | 54 Ų | 54 | 20.7 Ų | 20.7 | 24% | 0.237 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.3 | -49.1 | 175.5 | 174.2 | -96.2 | 0 | 0 | 0 | 111.8 | L46 M355 T453 T454 D455 Q459 L460 F461 | L46-F457 HydrophobicContact CD2-CE1 3.74Å; L46-F457 HydrophobicContact CD2-CZ 3.63Å; M355-F457 HydrophobicContact CE-CD1 3.96Å; M355-F457 HydrophobicContact CE-CE1 4.33Å; T453-F457 WeakPolarHBondContact O-CB 3.24Å; T453-F457 PolarHBondContact O-N 3.39Å; T453-F457 VanDerWaalsContact O-N 3.14Å; T454-F457 PolarHBondContact O-N 2.77Å; D455-F457 PolarHBondContact O-N 3.45Å; F457-Q459 PolarHBondContact O-N 2.74Å; F457-L460 PolarHBondContact O-N 3.07Å; F457-F461 AromaticContact CD2-CD2 3.48Å; F457-F461 HydrophobicContact CD2-CD2 3.48Å; F457-F461 VanDerWaalsContact CD2-CD2 3.48Å; F457-F461 AromaticContact CD2-CE2 3.71Å; F457-F461 HydrophobicContact CD2-CE2 3.71Å; F457-F461 HydrophobicContact CD2-CG 4.44Å; F457-F461 AromaticContact CE2-CD2 3.33Å; F457-F461 HydrophobicContact CE2-CD2 3.33Å; F457-F461 AromaticContact CE2-CE2 3.53Å; F457-F461 HydrophobicContact CE2-CE2 3.53Å; F457-F461 AromaticContact CE2-CG 3.97Å; F457-F461 HydrophobicContact CE2-CG 3.97Å; F457-F461 HydrophobicContact CE2-CZ 4.3Å; F457-F461 HydrophobicContact CG-CD2 4.21Å; F457-F461 HydrophobicContact CZ-CB 4.34Å; F457-F461 AromaticContact CZ-CD2 3.95Å; F457-F461 HydrophobicContact CZ-CD2 3.95Å; F457-F461 HydrophobicContact CZ-CE2 4.48Å; F457-F461 HydrophobicContact CZ-CG 4.16Å; F457-F461 WeakPolarHBondContact O-CD2 3.49Å; F457-F461 PolarHBondContact O-N 3.04Å |
| 458 | L | 91.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -69.3 | -32.5 | -178.4 | -67.7 | -177.2 | 0 | 0 | 0 | 112.8 | V43 M47 T348 A351 M355 T454 D455 L460 F462 F463 | V43-L458 HydrophobicContact CG1-CD2 3.92Å; M47-L458 HydrophobicContact CE-CD1 4.02Å; M47-L458 HydrophobicContact CE-CD2 3.54Å; M47-L458 HydrophobicContact CE-CG 4.36Å; M47-L458 HydrophobicContact CG-CD2 4.27Å; T348-L458 HydrophobicContact CG2-CB 3.84Å; A351-L458 HydrophobicContact CB-CD1 3.7Å; M355-L458 HydrophobicContact SD-CD1 4.13Å; M355-L458 HydrophobicContact SD-CD2 4.37Å; M355-L458 HydrophobicContact SD-CG 4.2Å; T454-L458 WeakPolarHBondContact O-CG 3.23Å; T454-L458 PolarHBondContact O-N 3.3Å; D455-L458 PolarHBondContact O-N 3.28Å; L458-L460 PolarHBondContact O-N 3.27Å; L458-F462 HydrophobicContact CD2-CB 4.44Å; L458-F462 WeakPolarHBondContact O-CA 3.34Å; L458-F462 WeakPolarHBondContact O-CB 3.26Å; L458-F462 PolarHBondContact O-N 3.07Å; L458-F463 PolarHBondContact O-N 3.18Å |
| 459 | Q | 91.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | I | π-helix | trans | -62.1 | -43.2 | 172.9 | -75 | 167 | 21.2 | 0 | 0 | 111.7 | T348 G384 N387 V388 H419 D455 F457 V464 | T348-Q459 HydrophobicContact CG2-CG 4.15Å; G384-Q459 PolarHBondContact O-NE2 3.19Å; N387-Q459 PolarHBondContact ND2-OE1 3.35Å; V388-Q459 HydrophobicContact CG2-CG 4.07Å; H419-Q459 PolarHBondContact CE1-OE1 3.02Å; D455-Q459 WeakPolarHBondContact O-CB 3.23Å; D455-Q459 VanDerWaalsContact O-CG 3.27Å; D455-Q459 WeakPolarHBondContact O-CG 3.27Å; D455-Q459 PolarHBondContact O-N 3.45Å; D455-Q459 PolarHBondContact OD1-NE2 3.27Å; D455-Q459 PolarHBondContact OD2-NE2 2.95Å; F457-Q459 PolarHBondContact O-N 2.74Å; Q459-V464 WeakPolarHBondContact O-CG2 2.99Å; Q459-V464 PolarHBondContact O-N 3.49Å |
| 460 | L | 89.5 | Confident | 89.7 | Confident | 16 Ų | 16 | 21.2 Ų | 21.2 | 8% | 0.084 | 11% | 0.11 | C | C | . | . | I | π-helix | trans | -73.4 | -40.7 | 179.3 | -70.5 | 177.2 | 0 | 0 | 0 | 113.9 | Y25 I32 L412 F456 F457 L458 | Y25-L460 HydrophobicContact CE1-CD2 3.81Å; I32-L460 VanDerWaalsContact CD1-O 3.24Å; I32-L460 WeakPolarHBondContact CD1-O 3.27Å; L412-L460 HydrophobicContact CD1-CD2 4.2Å; F456-L460 HydrophobicContact CD1-CD1 4.29Å; F456-L460 HydrophobicContact CD2-CD1 4.45Å; F456-L460 HydrophobicContact CE1-CD1 3.75Å; F456-L460 HydrophobicContact CE2-CD1 3.94Å; F456-L460 HydrophobicContact CZ-CD1 3.56Å; F456-L460 PolarHBondContact O-N 3.07Å; F457-L460 PolarHBondContact O-N 3.07Å; L458-L460 PolarHBondContact O-N 3.27Å |
| 461 | F | 91.3 | Very high | 89.5 | Confident | 64 Ų | 64 | 20.6 Ų | 20.6 | 28% | 0.281 | 11% | 0.106 | S | C | . | . | I | π-helix | trans | -99.4 | -30.4 | -172.4 | -76.3 | -85.3 | 0 | 0 | 0 | 115 | H28 I32 V39 V43 F457 T465 | H28-F461 AromaticContact NE2-CD1 3.97Å; H28-F461 AromaticContact NE2-CE1 3.46Å; H28-F461 WeakPolarHBondContact NE2-CE1 3.2Å; H28-F461 AromaticContact NE2-CE2 3.94Å; H28-F461 AromaticContact NE2-CZ 3.45Å; H28-F461 WeakPolarHBondContact NE2-CZ 3.23Å; I32-F461 HydrophobicContact CD1-CD1 4.44Å; V39-F461 WeakPolarHBondContact CG1-O 3.29Å; V43-F461 HydrophobicContact CG2-CB 3.75Å; F457-F461 AromaticContact CD2-CD2 3.48Å; F457-F461 HydrophobicContact CD2-CD2 3.48Å; F457-F461 VanDerWaalsContact CD2-CD2 3.48Å; F457-F461 AromaticContact CD2-CE2 3.71Å; F457-F461 HydrophobicContact CD2-CE2 3.71Å; F457-F461 HydrophobicContact CD2-CG 4.44Å; F457-F461 AromaticContact CE2-CD2 3.33Å; F457-F461 HydrophobicContact CE2-CD2 3.33Å; F457-F461 AromaticContact CE2-CE2 3.53Å; F457-F461 HydrophobicContact CE2-CE2 3.53Å; F457-F461 AromaticContact CE2-CG 3.97Å; F457-F461 HydrophobicContact CE2-CG 3.97Å; F457-F461 HydrophobicContact CE2-CZ 4.3Å; F457-F461 HydrophobicContact CG-CD2 4.21Å; F457-F461 HydrophobicContact CZ-CB 4.34Å; F457-F461 AromaticContact CZ-CD2 3.95Å; F457-F461 HydrophobicContact CZ-CD2 3.95Å; F457-F461 HydrophobicContact CZ-CE2 4.48Å; F457-F461 HydrophobicContact CZ-CG 4.16Å; F457-F461 WeakPolarHBondContact O-CD2 3.49Å; F457-F461 PolarHBondContact O-N 3.04Å; F461-T465 PolarHBondContact O-OG1 3.24Å |
| 462 | F | 91.4 | Very high | 89.3 | Confident | 17 Ų | 17 | 27.9 Ų | 27.9 | 8% | 0.075 | 13% | 0.133 | C | C | . | . | I | π-helix | trans | -97.9 | -57.2 | 179.8 | -171.5 | -108.4 | 0 | 0 | 0 | 111.2 | V43 M47 V347 T348 L458 T465 I466 | V43-F462 HydrophobicContact CG1-CB 4.04Å; V43-F462 HydrophobicContact CG1-CD2 4.06Å; V43-F462 HydrophobicContact CG1-CG 4.48Å; M47-F462 HydrophobicContact CE-CB 4.17Å; M47-F462 HydrophobicContact CE-CD1 3.99Å; M47-F462 HydrophobicContact CE-CD2 3.59Å; M47-F462 HydrophobicContact CE-CE1 4.2Å; M47-F462 HydrophobicContact CE-CE2 3.83Å; M47-F462 HydrophobicContact CE-CG 3.67Å; M47-F462 HydrophobicContact CE-CZ 4.12Å; M47-F462 HydrophobicContact SD-CE2 4.42Å; V347-F462 HydrophobicContact CB-CE1 4.47Å; V347-F462 HydrophobicContact CG1-CE1 3.85Å; V347-F462 HydrophobicContact CG1-CZ 3.98Å; T348-F462 WeakPolarHBondContact OG1-CD1 3.35Å; L458-F462 HydrophobicContact CD2-CB 4.44Å; L458-F462 WeakPolarHBondContact O-CA 3.34Å; L458-F462 WeakPolarHBondContact O-CB 3.26Å; L458-F462 PolarHBondContact O-N 3.07Å; F462-T465 PolarHBondContact O-N 3.45Å; F462-I466 HydrophobicContact CD1-CD1 3.82Å; F462-I466 HydrophobicContact CD2-CD1 4.24Å; F462-I466 HydrophobicContact CE1-CD1 3.45Å; F462-I466 VanDerWaalsContact CE1-CD1 3.45Å; F462-I466 HydrophobicContact CE2-CD1 3.9Å; F462-I466 HydrophobicContact CG-CD1 4.22Å; F462-I466 HydrophobicContact CZ-CD1 3.49Å; F462-I466 VanDerWaalsContact CZ-CD1 3.49Å; F462-I466 PolarHBondContact O-N 2.78Å |
| 463 | F | 91 | Very high | 89 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 0% | 0.004 | 16% | 0.156 | C | C | . | . | I | π-helix | trans | -67.5 | -47.2 | -171.3 | -177.2 | -95.7 | 0 | 0 | 0 | 113.1 | L341 A345 T348 V388 L391 T392 L458 T465 I466 L467 | L341-F463 HydrophobicContact CD1-CE2 3.85Å; L341-F463 HydrophobicContact CD1-CZ 3.69Å; A345-F463 HydrophobicContact CB-CE2 4.29Å; T348-F463 HydrophobicContact CG2-CB 4.29Å; V388-F463 HydrophobicContact CG1-CD1 4.42Å; V388-F463 HydrophobicContact CG1-CD2 4.2Å; V388-F463 HydrophobicContact CG1-CE1 3.89Å; V388-F463 HydrophobicContact CG1-CE2 3.65Å; V388-F463 HydrophobicContact CG1-CZ 3.49Å; V388-F463 VanDerWaalsContact CG1-CZ 3.49Å; V388-F463 HydrophobicContact CG2-CD1 4.39Å; V388-F463 HydrophobicContact CG2-CD2 4.42Å; V388-F463 HydrophobicContact CG2-CG 4.3Å; L391-F463 HydrophobicContact CD2-CD1 4.38Å; T392-F463 WeakPolarHBondContact OG1-CZ 3.21Å; L458-F463 PolarHBondContact O-N 3.18Å; F463-T465 PolarHBondContact O-N 3.46Å; F463-I466 PolarHBondContact O-N 2.82Å; F463-L467 HydrophobicContact CE1-CB 4.45Å; F463-L467 HydrophobicContact CE1-CD2 4.12Å; F463-L467 WeakPolarHBondContact O-CB 3.33Å; F463-L467 PolarHBondContact O-N 3.28Å |
| 464 | V | 91 | Very high | 88.3 | Confident | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.018 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.1 | -38.4 | 174.9 | 172.6 | 0 | 0 | 0 | 0 | 111.7 | I32 L391 I408 L412 Q459 L467 S468 | I32-V464 HydrophobicContact CG2-CG1 4.15Å; L391-V464 HydrophobicContact CD2-CG2 3.75Å; L391-V464 HydrophobicContact CG-CG2 4.48Å; I408-V464 HydrophobicContact CG2-CG1 3.74Å; L412-V464 HydrophobicContact CD1-CG2 4.41Å; L412-V464 HydrophobicContact CD2-CG1 4.4Å; Q459-V464 WeakPolarHBondContact O-CG2 2.99Å; Q459-V464 PolarHBondContact O-N 3.49Å; V464-L467 PolarHBondContact O-N 3.08Å; V464-S468 PolarHBondContact O-N 3.24Å |
| 465 | T | 91.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.6 | -44.4 | -179.6 | -47.6 | 0 | 0 | 0 | 0 | 111.6 | I32 P36 V39 I40 F461 F462 F463 S468 V469 | I32-T465 HydrophobicContact CG2-CG2 3.93Å; I32-T465 WeakPolarHBondContact CG2-OG1 3.43Å; P36-T465 HydrophobicContact CB-CG2 3.61Å; P36-T465 WeakPolarHBondContact O-CG2 3.12Å; V39-T465 HydrophobicContact CB-CG2 4.18Å; V39-T465 HydrophobicContact CG1-CG2 4.09Å; V39-T465 WeakPolarHBondContact CG1-OG1 3.44Å; I40-T465 HydrophobicContact CD1-CG2 3.9Å; I40-T465 HydrophobicContact CG1-CG2 3.65Å; F461-T465 PolarHBondContact O-OG1 3.24Å; F462-T465 PolarHBondContact O-N 3.45Å; F463-T465 PolarHBondContact O-N 3.46Å; T465-S468 WeakPolarHBondContact O-CB 3.48Å; T465-S468 PolarHBondContact O-N 2.75Å; T465-V469 WeakPolarHBondContact O-CG2 3.27Å; T465-V469 PolarHBondContact O-N 3.4Å; T465-V469 VanDerWaalsContact O-N 3.12Å |
| 466 | I | 89.7 | Confident | 87.1 | Confident | 40 Ų | 40 | 40 Ų | 40 | 21% | 0.205 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65 | -42.4 | 174.5 | -66.7 | 171.9 | 0 | 0 | 0 | 110.9 | I40 F462 F463 S468 V469 D470 | I40-I466 HydrophobicContact CD1-CG1 4.4Å; F462-I466 HydrophobicContact CD1-CD1 3.82Å; F462-I466 HydrophobicContact CD2-CD1 4.24Å; F462-I466 HydrophobicContact CE1-CD1 3.45Å; F462-I466 VanDerWaalsContact CE1-CD1 3.45Å; F462-I466 HydrophobicContact CE2-CD1 3.9Å; F462-I466 HydrophobicContact CG-CD1 4.22Å; F462-I466 HydrophobicContact CZ-CD1 3.49Å; F462-I466 VanDerWaalsContact CZ-CD1 3.49Å; F462-I466 PolarHBondContact O-N 2.78Å; F463-I466 PolarHBondContact O-N 2.82Å; I466-S468 VanDerWaalsContact C-N 3.29Å; I466-S468 PolarHBondContact O-N 3Å; I466-V469 PolarHBondContact O-N 3.01Å; I466-D470 PolarHBondContact O-N 3.49Å |
| 467 | L | 88 | Confident | 86.1 | Confident | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.7 | -40 | 175.4 | -179.9 | 60.9 | 0 | 0 | 0 | 111.6 | L341 V395 F463 V464 V469 I471 | L341-L467 HydrophobicContact CD1-CD1 4.05Å; V395-L467 HydrophobicContact CB-CD2 4.07Å; V395-L467 HydrophobicContact CG1-CD2 4.03Å; V395-L467 HydrophobicContact CG1-CG 4.4Å; V395-L467 HydrophobicContact CG2-CD2 4.07Å; F463-L467 HydrophobicContact CE1-CB 4.45Å; F463-L467 HydrophobicContact CE1-CD2 4.12Å; F463-L467 WeakPolarHBondContact O-CB 3.33Å; F463-L467 PolarHBondContact O-N 3.28Å; V464-L467 PolarHBondContact O-N 3.08Å; L467-V469 VanDerWaalsContact C-N 3.33Å; L467-V469 PolarHBondContact O-N 3.4Å; L467-I471 HydrophobicContact CD1-CD1 3.81Å; L467-I471 HydrophobicContact CD1-CG1 4.23Å; L467-I471 HydrophobicContact CG-CD1 3.96Å; L467-I471 WeakPolarHBondContact O-CB 3.34Å; L467-I471 WeakPolarHBondContact O-CG1 3.41Å; L467-I471 PolarHBondContact O-N 3.42Å |
| 468 | S | 88.6 | Confident | 85 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.2 | -32.4 | 173.4 | -173.8 | 0 | 0 | 0 | 0 | 113.6 | S33 V464 T465 I466 R472 | S33-S468 WeakPolarHBondContact CB-OG 3.07Å; S33-S468 PolarHBondContact OG-OG 3.41Å; V464-S468 PolarHBondContact O-N 3.24Å; T465-S468 WeakPolarHBondContact O-CB 3.48Å; T465-S468 PolarHBondContact O-N 2.75Å; I466-S468 VanDerWaalsContact C-N 3.29Å; I466-S468 PolarHBondContact O-N 3Å; S468-R472 VanDerWaalsContact O-CB 3.28Å; S468-R472 WeakPolarHBondContact O-CB 3.31Å; S468-R472 PolarHBondContact O-N 2.88Å |
| 469 | V | 87.9 | Confident | 83.9 | Confident | 64 Ų | 64 | 44.4 Ų | 44.4 | 39% | 0.388 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -76.9 | -41.9 | 177.5 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | P36 I40 T465 I466 L467 R472 R473 | P36-V469 HydrophobicContact CB-CG2 3.71Å; P36-V469 HydrophobicContact CG-CG2 4.15Å; I40-V469 HydrophobicContact CD1-CG2 4.45Å; T465-V469 WeakPolarHBondContact O-CG2 3.27Å; T465-V469 PolarHBondContact O-N 3.4Å; T465-V469 VanDerWaalsContact O-N 3.12Å; I466-V469 PolarHBondContact O-N 3.01Å; L467-V469 VanDerWaalsContact C-N 3.33Å; L467-V469 PolarHBondContact O-N 3.4Å; V469-R472 PolarHBondContact O-N 3.46Å; V469-R473 WeakPolarHBondContact O-CB 3.35Å; V469-R473 PolarHBondContact O-N 2.89Å |
| 470 | D | 86.6 | Confident | 82.5 | Confident | 27 Ų | 27 | 50.6 Ų | 50.6 | 14% | 0.144 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.5 | -43.5 | 179.8 | -165.6 | 39.2 | 0 | 0 | 0 | 111.6 | V335 I466 R473 M474 | V335-D470 VanDerWaalsContact CG1-OD2 3.23Å; V335-D470 WeakPolarHBondContact CG1-OD2 3.46Å; I466-D470 PolarHBondContact O-N 3.49Å; D470-R473 PolarHBondContact O-N 3Å; D470-M474 PolarHBondContact O-N 2.78Å |
| 471 | I | 84.2 | Confident | 81.1 | Confident | 6 Ų | 6 | 55.6 Ų | 55.6 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.3 | -47.5 | 172.4 | -72.4 | 170.5 | 0 | 0 | 0 | 111.1 | V395 V404 I408 L467 R473 M474 E475 | V395-I471 HydrophobicContact CG1-CD1 3.53Å; V404-I471 HydrophobicContact CG1-CG2 4.04Å; V404-I471 HydrophobicContact CG2-CG2 4.35Å; I408-I471 HydrophobicContact CD1-CD1 3.9Å; L467-I471 HydrophobicContact CD1-CD1 3.81Å; L467-I471 HydrophobicContact CD1-CG1 4.23Å; L467-I471 HydrophobicContact CG-CD1 3.96Å; L467-I471 WeakPolarHBondContact O-CB 3.34Å; L467-I471 WeakPolarHBondContact O-CG1 3.41Å; L467-I471 PolarHBondContact O-N 3.42Å; I471-R473 VanDerWaalsContact C-N 3.28Å; I471-R473 PolarHBondContact O-N 3.09Å; I471-M474 WeakPolarHBondContact O-CB 3.48Å; I471-M474 PolarHBondContact O-N 3.14Å; I471-M474 VanDerWaalsContact O-N 3.13Å; I471-E475 PolarHBondContact O-N 3.48Å |
| 472 | R | 83.5 | Confident | 79.5 | Confident | 154 Ų | 154 | 59.5 Ų | 59.5 | 58% | 0.581 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -63.3 | -33 | 178 | -173.7 | 175.8 | 176.5 | -170.8 | -3.4 | 112.6 | V404 S468 V469 L476 | V404-R472 HydrophobicContact CG1-CB 4.3Å; V404-R472 HydrophobicContact CG2-CB 4.06Å; V404-R472 HydrophobicContact CG2-CG 4.33Å; S468-R472 VanDerWaalsContact O-CB 3.28Å; S468-R472 WeakPolarHBondContact O-CB 3.31Å; S468-R472 PolarHBondContact O-N 2.88Å; V469-R472 PolarHBondContact O-N 3.46Å; R472-L476 WeakPolarHBondContact O-CB 3.46Å; R472-L476 PolarHBondContact O-N 3.45Å; R472-L476 VanDerWaalsContact O-N 3.13Å |
| 473 | R | 81.9 | Confident | 77.5 | Confident | 180 Ų | 180 | 67.8 Ų | 67.8 | 68% | 0.679 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -73.9 | -29.6 | 175.2 | -172.2 | 178.3 | -175.6 | -176.7 | 3.3 | 112.5 | V469 D470 I471 S477 | V469-R473 WeakPolarHBondContact O-CB 3.35Å; V469-R473 PolarHBondContact O-N 2.89Å; D470-R473 PolarHBondContact O-N 3Å; I471-R473 VanDerWaalsContact C-N 3.28Å; I471-R473 PolarHBondContact O-N 3.09Å; R473-S477 VanDerWaalsContact O-CB 3.23Å; R473-S477 WeakPolarHBondContact O-CB 3.33Å; R473-S477 PolarHBondContact O-N 2.88Å; R473-S477 VanDerWaalsContact O-N 3.07Å; R473-S477 PolarHBondContact O-OG 2.79Å |
| 474 | M | 74.7 | Confident | 74.9 | Confident | 22 Ų | 22 | 71.3 Ų | 71.3 | 11% | 0.108 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -71.1 | -52 | 172.4 | -174.3 | 175 | 71.4 | 0 | 0 | 111 | M334 K336 D470 I471 L476 S477 D478 | M334-M474 HydrophobicContact CB-CE 4.18Å; M334-M474 WeakPolarHBondContact O-CE 3.21Å; M334-M474 VanDerWaalsContact O-SD 3.35Å; K336-M474 HydrophobicContact CB-CG 4.38Å; D470-M474 PolarHBondContact O-N 2.78Å; I471-M474 WeakPolarHBondContact O-CB 3.48Å; I471-M474 PolarHBondContact O-N 3.14Å; I471-M474 VanDerWaalsContact O-N 3.13Å; M474-L476 VanDerWaalsContact C-N 3.33Å; M474-L476 PolarHBondContact O-N 3.26Å; M474-S477 WeakPolarHBondContact O-CA 3.25Å; M474-S477 WeakPolarHBondContact O-CB 3Å; M474-S477 PolarHBondContact O-N 3.47Å; M474-D478 VanDerWaalsContact O-CG 3.29Å; M474-D478 PolarHBondContact O-N 3.02Å |
| 475 | E | 75.5 | Confident | 72.4 | Confident | 50 Ų | 50 | 77.7 Ų | 77.7 | 23% | 0.234 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -56.7 | -45.4 | 176.9 | -70.9 | 174.2 | -161.2 | 0 | 0 | 111.9 | V404 R407 I471 S477 D478 L479 | V404-E475 WeakPolarHBondContact CG2-OE2 3.37Å; R407-E475 IonicContact CZ-OE1 3.75Å; R407-E475 IonicContact NH1-OE1 2.66Å; R407-E475 PolarHBondContact NH1-OE1 3.03Å; I471-E475 PolarHBondContact O-N 3.48Å; E475-S477 VanDerWaalsContact C-N 3.27Å; E475-S477 PolarHBondContact O-N 2.9Å; E475-D478 PolarHBondContact O-N 2.78Å; E475-L479 WeakPolarHBondContact O-CB 3.3Å; E475-L479 VanDerWaalsContact O-CG 3.3Å; E475-L479 WeakPolarHBondContact O-CG 3.33Å; E475-L479 PolarHBondContact O-N 3.32Å |
| 476 | L | 78 | Confident | 69.8 | Low | 96 Ų | 96 | 86.8 Ų | 86.8 | 50% | 0.503 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64 | -30.7 | 174.3 | -175.3 | 63.2 | 0 | 0 | 0 | 113 | R472 M474 M480 | R472-L476 WeakPolarHBondContact O-CB 3.46Å; R472-L476 PolarHBondContact O-N 3.45Å; R472-L476 VanDerWaalsContact O-N 3.13Å; M474-L476 VanDerWaalsContact C-N 3.33Å; M474-L476 PolarHBondContact O-N 3.26Å; L476-M480 HydrophobicContact CD1-CE 4.19Å; L476-M480 HydrophobicContact CD2-CE 4.38Å; L476-M480 HydrophobicContact CG-CE 4.14Å; L476-M480 HydrophobicContact CG-SD 4.4Å; L476-M480 WeakPolarHBondContact O-CB 3.33Å; L476-M480 VanDerWaalsContact O-CG 3.22Å; L476-M480 WeakPolarHBondContact O-CG 3.23Å; L476-M480 PolarHBondContact O-N 3.28Å |
| 477 | S | 69.7 | Low | 67.4 | Low | 13 Ų | 13 | 89 Ų | 89 | 9% | 0.091 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -71.3 | -38.6 | 176.5 | -77.1 | 0 | 0 | 0 | 0 | 113.2 | K336 R473 M474 E475 M480 L481 | K336-S477 VanDerWaalsContact CD-OG 3.29Å; K336-S477 WeakPolarHBondContact CD-OG 3.27Å; K336-S477 PolarHBondContact NZ-OG 3.34Å; R473-S477 VanDerWaalsContact O-CB 3.23Å; R473-S477 WeakPolarHBondContact O-CB 3.33Å; R473-S477 PolarHBondContact O-N 2.88Å; R473-S477 VanDerWaalsContact O-N 3.07Å; R473-S477 PolarHBondContact O-OG 2.79Å; M474-S477 WeakPolarHBondContact O-CA 3.25Å; M474-S477 WeakPolarHBondContact O-CB 3Å; M474-S477 PolarHBondContact O-N 3.47Å; E475-S477 VanDerWaalsContact C-N 3.27Å; E475-S477 PolarHBondContact O-N 2.9Å; S477-M480 PolarHBondContact O-N 3.49Å; S477-L481 WeakPolarHBondContact O-CG 3.38Å; S477-L481 PolarHBondContact O-N 3.37Å; S477-L481 VanDerWaalsContact O-N 3.07Å |
| 478 | D | 69.3 | Low | 64.7 | Low | 80 Ų | 80 | 98.2 Ų | 98.2 | 43% | 0.428 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -75.5 | -41.1 | -176.8 | -59.3 | -23.7 | 0 | 0 | 0 | 108.7 | M474 E475 M480 L481 E482 | M474-D478 VanDerWaalsContact O-CG 3.29Å; M474-D478 PolarHBondContact O-N 3.02Å; E475-D478 PolarHBondContact O-N 2.78Å; D478-M480 VanDerWaalsContact C-N 3.32Å; D478-M480 PolarHBondContact O-N 3.38Å; D478-L481 CarbonylContact O-C 3.6Å; D478-L481 WeakPolarHBondContact O-CA 3.47Å; D478-L481 PolarHBondContact O-N 3.16Å; D478-E482 PolarHBondContact O-N 3.39Å |
| 479 | L | 67.3 | Low | 61.9 | Low | 94 Ų | 94 | 107.2 Ų | 107.2 | 49% | 0.492 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -56.3 | -41.2 | 166.3 | -69.4 | 168.9 | 0 | 0 | 0 | 112.7 | E475 L481 E482 Y483 | E475-L479 WeakPolarHBondContact O-CB 3.3Å; E475-L479 VanDerWaalsContact O-CG 3.3Å; E475-L479 WeakPolarHBondContact O-CG 3.33Å; E475-L479 PolarHBondContact O-N 3.32Å; L479-L481 VanDerWaalsContact C-N 3.27Å; L479-L481 PolarHBondContact O-N 3.15Å; L479-E482 PolarHBondContact O-N 2.74Å; L479-Y483 WeakPolarHBondContact O-CD2 3.21Å; L479-Y483 PolarHBondContact O-N 2.69Å |
| 480 | M | 62.9 | Low | 59.2 | Low | 129 Ų | 129 | 113.5 Ų | 113.5 | 64% | 0.635 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -69.4 | -20.3 | 175 | -79.8 | 178.4 | 174.3 | 0 | 0 | 114 | L476 S477 D478 | L476-M480 HydrophobicContact CD1-CE 4.19Å; L476-M480 HydrophobicContact CD2-CE 4.38Å; L476-M480 HydrophobicContact CG-CE 4.14Å; L476-M480 HydrophobicContact CG-SD 4.4Å; L476-M480 WeakPolarHBondContact O-CB 3.33Å; L476-M480 VanDerWaalsContact O-CG 3.22Å; L476-M480 WeakPolarHBondContact O-CG 3.23Å; L476-M480 PolarHBondContact O-N 3.28Å; S477-M480 PolarHBondContact O-N 3.49Å; D478-M480 VanDerWaalsContact C-N 3.32Å; D478-M480 PolarHBondContact O-N 3.38Å |
| 481 | L | 60.1 | Low | 56.4 | Low | 121 Ų | 121 | 120.7 Ų | 120.7 | 63% | 0.634 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -88.8 | -17.4 | 173.9 | -74.7 | 168.8 | 0 | 0 | 0 | 112.8 | S477 D478 L479 P484 | S477-L481 WeakPolarHBondContact O-CG 3.38Å; S477-L481 PolarHBondContact O-N 3.37Å; S477-L481 VanDerWaalsContact O-N 3.07Å; D478-L481 CarbonylContact O-C 3.6Å; D478-L481 WeakPolarHBondContact O-CA 3.47Å; D478-L481 PolarHBondContact O-N 3.16Å; L479-L481 VanDerWaalsContact C-N 3.27Å; L479-L481 PolarHBondContact O-N 3.15Å; L481-P484 VanDerWaalsContact O-CD 3.22Å; L481-P484 WeakPolarHBondContact O-CD 3.44Å |
| 482 | E | 57.9 | Low | 53.8 | Low | 146 Ų | 146 | 125.8 Ų | 125.8 | 68% | 0.682 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -87.9 | -9.9 | 176.2 | -159.5 | 158 | -137.6 | 0 | 0 | 112.8 | D478 L479 | D478-E482 PolarHBondContact O-N 3.39Å; L479-E482 PolarHBondContact O-N 2.74Å |
| 483 | Y | 48.3 | Very low | 51.1 | Low | 191 Ų | 191 | 126.5 Ų | 126.5 | 75% | 0.749 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -106.1 | 1.6 | -177.7 | -91.4 | -91.3 | 0 | 0 | 0 | 119.8 | L479 | L479-Y483 WeakPolarHBondContact O-CD2 3.21Å; L479-Y483 PolarHBondContact O-N 2.69Å |
| 484 | P | 36.3 | Very low | 48.7 | Very low | 75 Ų | 75 | 125.1 Ų | 125.1 | 49% | 0.487 | 63% | 0.628 | S | S | . | * | S | Bend | trans | -88.3 | 155.3 | 162.3 | 34.9 | -28 | 0 | 0 | 0 | 111.5 | L481 | L481-P484 VanDerWaalsContact O-CD 3.22Å; L481-P484 WeakPolarHBondContact O-CD 3.44Å |
| 485 | V | 39 | Very low | 46.5 | Very low | 138 Ų | 138 | 131.4 Ų | 131.4 | 84% | 0.836 | 66% | 0.661 | S | S | * | * | S | Bend | trans | 80.5 | 5.9 | 173.7 | -163.9 | 0 | 0 | 0 | 0 | 116.9 | ||
| 486 | H | 37.6 | Very low | 44.6 | Very low | 191 Ų | 191 | 134.1 Ų | 134.1 | 88% | 0.884 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -113.2 | 6.3 | 169.1 | -93.5 | -58.7 | 0 | 0 | 0 | 116.5 | ||
| 487 | S | 37.4 | Very low | 42.5 | Very low | 87 Ų | 87 | 134.3 Ų | 134.3 | 61% | 0.608 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -112.9 | 4.4 | -175.6 | 48.5 | 0 | 0 | 0 | 0 | 115.8 | ||
| 488 | F | 32.1 | Very low | 40.6 | Very low | 196 Ų | 196 | 141.8 Ų | 141.8 | 86% | 0.86 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -140.7 | 39.7 | -172 | -84.9 | -77 | 0 | 0 | 0 | 114.8 | ||
| 489 | M | 30.9 | Very low | 38.7 | Very low | 192 Ų | 192 | 147.8 Ų | 147.8 | 95% | 0.946 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -138.5 | 132.4 | 162.4 | -79.5 | -164.2 | 170.7 | 0 | 0 | 112.8 | ||
| 490 | Q | 30.1 | Very low | 36.9 | Very low | 196 Ų | 196 | 147.5 Ų | 147.5 | 92% | 0.916 | 75% | 0.745 | S | S | * | * | trans | 78.9 | 73.3 | 167.1 | -152.5 | 142.2 | 16.3 | 0 | 0 | 118.5 | ||||
| 491 | E | 28.8 | Very low | 35.3 | Very low | 177 Ų | 177 | 150 Ų | 150 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | trans | -57.6 | 174.6 | 145.6 | -107.3 | -175.3 | 116.9 | 0 | 0 | 112.9 | ||||
| 492 | P | 29 | Very low | 34.1 | Very low | 114 Ų | 114 | 149.2 Ų | 149.2 | 74% | 0.74 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -76.1 | 177.4 | -166.3 | 32.1 | -37.8 | 0 | 0 | 0 | 115.9 | ||
| 493 | Q | 26.5 | Very low | 33.1 | Very low | 168 Ų | 168 | 147.1 Ų | 147.1 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -11.2 | 129.9 | 170.1 | -60.7 | 178.9 | -3.5 | 0 | 0 | 119.1 | ||
| 494 | M | 30.6 | Very low | 32.5 | Very low | 152 Ų | 152 | 143.5 Ų | 143.5 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | trans | 65.1 | 105.2 | 148.2 | -64 | -170 | -115.4 | 0 | 0 | 120.6 | ||||
| 495 | I | 29.8 | Very low | 32.2 | Very low | 154 Ų | 154 | 148 Ų | 148 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | 78 | 145.4 | 127 | -66.3 | 168.2 | 0 | 0 | 0 | 116.8 | |||||
| 496 | P | 35.6 | Very low | 32.1 | Very low | 106 Ų | 106 | 146.9 Ų | 146.9 | 69% | 0.688 | 77% | 0.771 | S | S | * | * | trans | -102.4 | -157.3 | -165.6 | 44.2 | -33.7 | 0 | 0 | 0 | 110.9 | ||||
| 497 | P | 34.1 | Very low | 31.8 | Very low | 101 Ų | 101 | 142.8 Ų | 142.8 | 66% | 0.656 | 76% | 0.764 | S | S | * | * | cis | -142.1 | -162.9 | 2.5 | 24.2 | 5.4 | 0 | 0 | 0 | 116.5 | ||||
| 498 | F | 29.1 | Very low | 31.6 | Very low | 170 Ų | 170 | 143.8 Ų | 143.8 | 75% | 0.746 | 77% | 0.769 | S | S | * | * | trans | 89.4 | 111.1 | 161.5 | -71.4 | -90.2 | 0 | 0 | 0 | 122.2 | ||||
| 499 | Y | 29.7 | Very low | 31.9 | Very low | 206 Ų | 206 | 140.4 Ų | 140.4 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | 32.6 | 145.4 | 113.5 | -65.3 | -72.4 | 0 | 0 | 0 | 120.1 | |||||
| 500 | S | 28.6 | Very low | 32 | Very low | 87 Ų | 87 | 136.2 Ų | 136.2 | 61% | 0.608 | 75% | 0.751 | S | S | * | * | cis | 179 | -166.1 | 17.6 | 35.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 501 | F | 30.4 | Very low | 31.8 | Very low | 182 Ų | 182 | 134.4 Ų | 134.4 | 80% | 0.798 | 75% | 0.747 | S | S | * | * | trans | 77.7 | 141.2 | 170.5 | -69.3 | -107.5 | 0 | 0 | 0 | 117.7 | ||||
| 502 | T | 34.5 | Very low | 31.7 | Very low | 105 Ų | 105 | 130.2 Ų | 130.2 | 64% | 0.644 | 74% | 0.737 | S | S | * | * | cis | -159.5 | 139.3 | -11.7 | 13.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 503 | S | 36.5 | Very low | 31.6 | Very low | 102 Ų | 102 | 129.4 Ų | 129.4 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | 63 | 140 | 74.7 | 111 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 504 | P | 35.2 | Very low | 31.7 | Very low | 114 Ų | 114 | 126 Ų | 126 | 74% | 0.74 | 73% | 0.729 | S | S | * | * | -130 | 150.2 | 54.5 | 10.2 | 16 | 0 | 0 | 0 | 115.8 | |||||
| 505 | L | 30.7 | Very low | 31.6 | Very low | 171 Ų | 171 | 125.6 Ų | 125.6 | 90% | 0.895 | 73% | 0.729 | S | S | * | * | 78 | 132.8 | 91.6 | -151.7 | 71.1 | 0 | 0 | 0 | 113.4 | |||||
| 506 | S | 37.4 | Very low | 31.5 | Very low | 113 Ų | 113 | 124.2 Ų | 124.2 | 79% | 0.79 | 72% | 0.724 | S | S | * | * | cis | -141.8 | 168.5 | 29.5 | 54.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 507 | S | 30.3 | Very low | 31 | Very low | 105 Ų | 105 | 126.2 Ų | 126.2 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | trans | -121.4 | -173.5 | 167.7 | 70.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 508 | P | 34.7 | Very low | 30.5 | Very low | 109 Ų | 109 | 128.2 Ų | 128.2 | 71% | 0.708 | 73% | 0.728 | S | S | * | * | cis | -138 | -160.2 | 47.7 | 42 | -19.9 | 0 | 0 | 0 | 112.3 | ||||
| 509 | T | 36.6 | Very low | 30.5 | Very low | 124 Ų | 124 | 127.6 Ų | 127.6 | 76% | 0.761 | 73% | 0.729 | S | S | * | * | cis | -150.3 | 162.1 | 11.4 | -5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 510 | P | 33.2 | Very low | 30.2 | Very low | 105 Ų | 105 | 123.7 Ų | 123.7 | 68% | 0.682 | 72% | 0.722 | S | S | * | * | trans | -106.6 | -149 | -171.8 | 43.3 | -35.2 | 0 | 0 | 0 | 113.2 | ||||
| 511 | L | 25.7 | Very low | 30 | Very low | 157 Ų | 157 | 127.5 Ų | 127.5 | 82% | 0.822 | 73% | 0.73 | S | S | * | * | trans | 82.6 | 141.4 | 177 | -62 | 129.4 | 0 | 0 | 0 | 114.9 | ||||
| 512 | S | 28.1 | Very low | 29.8 | Very low | 90 Ų | 90 | 124.6 Ų | 124.6 | 63% | 0.629 | 73% | 0.733 | S | S | * | * | cis | -162.1 | 143.5 | -8 | 47.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 513 | S | 27.3 | Very low | 29.2 | Very low | 97 Ų | 97 | 124.4 Ų | 124.4 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | trans | 47.9 | 168.9 | 138.6 | 69.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 514 | S | 28.6 | Very low | 28.6 | Very low | 95 Ų | 95 | 125.5 Ų | 125.5 | 66% | 0.664 | 74% | 0.742 | S | S | * | * | trans | 63 | 133.7 | 147.6 | 49.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 515 | L | 28.7 | Very low | 28 | Very low | 145 Ų | 145 | 128.1 Ų | 128.1 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | cis | -151.1 | 141.1 | -6.9 | -144.4 | 85.2 | 0 | 0 | 0 | 109.3 | ||||
| 516 | D | 26.6 | Very low | 27.7 | Very low | 125 Ų | 125 | 127.1 Ų | 127.1 | 67% | 0.668 | 74% | 0.736 | S | S | * | * | trans | 21.3 | 131.3 | 134.3 | -55.5 | -22.1 | 0 | 0 | 0 | 120.6 | ||||
| 517 | M | 25.4 | Very low | 27 | Very low | 147 Ų | 147 | 130.6 Ų | 130.6 | 72% | 0.724 | 74% | 0.739 | S | S | * | * | 74.3 | 145.7 | 118.8 | -175.3 | 172.1 | 70.5 | 0 | 0 | 120.2 | |||||
| 518 | M | 24 | Very low | 26.6 | Very low | 144 Ų | 144 | 133.6 Ų | 133.6 | 71% | 0.709 | 74% | 0.739 | S | S | * | * | trans | 65.1 | 151 | 166.5 | -75.8 | 163 | -172.2 | 0 | 0 | 115.9 | ||||
| 519 | M | 28.5 | Very low | 26.1 | Very low | 156 Ų | 156 | 135.2 Ų | 135.2 | 77% | 0.768 | 75% | 0.75 | S | S | * | * | cis | -131.5 | 150.9 | -16.1 | -103.5 | 166.4 | -66.9 | 0 | 0 | 106.5 | ||||
| 520 | N | 23.6 | Very low | 25.4 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 67% | 0.668 | 74% | 0.736 | S | S | * | * | 47.4 | 135.1 | 77.7 | -126.8 | 51.5 | 0 | 0 | 0 | 113.9 | |||||
| 521 | E | 24.8 | Very low | 24.9 | Very low | 166 Ų | 166 | 133 Ų | 133 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | trans | 40 | 115.5 | 154.4 | -62.4 | 174.2 | 131.9 | 0 | 0 | 117.8 | ||||
| 522 | S | 25.5 | Very low | 24.8 | Very low | 122 Ų | 122 | 133.1 Ų | 133.1 | 85% | 0.853 | 74% | 0.742 | S | S | * | * | 173.5 | -159.8 | 63.7 | 54.9 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 523 | S | 22.5 | Very low | 24.6 | Very low | 101 Ų | 101 | 135 Ų | 135 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | trans | -80.5 | 127.7 | -168.9 | -62 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 524 | C | 23.3 | Very low | 24.5 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 84% | 0.838 | 75% | 0.747 | S | S | * | * | trans | -143.9 | 122.7 | 137.1 | -85.3 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 525 | K | 21.9 | Very low | 24.3 | Very low | 170 Ų | 170 | 140.1 Ų | 140.1 | 74% | 0.739 | 76% | 0.755 | S | S | * | * | cis | 67.5 | 116.5 | 11.6 | -145.5 | -171.1 | -174.8 | -174.8 | 0 | 113.5 | ||||
| 526 | I | 24.6 | Very low | 24.2 | Very low | 150 Ų | 150 | 142 Ų | 142 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | 73.1 | 138.1 | 177.8 | -53.9 | 149.1 | 0 | 0 | 0 | 109.3 | ||||
| 527 | E | 23.9 | Very low | 24.2 | Very low | 186 Ų | 186 | 140.9 Ų | 140.9 | 87% | 0.869 | 76% | 0.764 | S | S | * | * | cis | -110.2 | 155.6 | 26.3 | -71.8 | 175.6 | 142.5 | 0 | 0 | 117.3 | ||||
| 528 | K | 22 | Very low | 24.2 | Very low | 168 Ų | 168 | 140.7 Ų | 140.7 | 73% | 0.73 | 77% | 0.767 | S | S | * | * | trans | -99.8 | 143.3 | 152.6 | -45.3 | 164.1 | 179.9 | 172.1 | 0 | 107.1 | S530 | K528-S530 VanDerWaalsContact CD-OG 3.3Å; K528-S530 WeakPolarHBondContact CD-OG 3.4Å; K528-S530 PolarHBondContact O-N 3.31Å | ||
| 529 | P | 22.9 | Very low | 24.4 | Very low | 143 Ų | 143 | 142.5 Ų | 142.5 | 93% | 0.929 | 77% | 0.77 | S | S | * | * | trans | -85.2 | 70.9 | 147.3 | 34 | -30.1 | 0 | 0 | 0 | 108.6 | ||||
| 530 | S | 22.6 | Very low | 24.4 | Very low | 67 Ų | 67 | 143.9 Ų | 143.9 | 47% | 0.469 | 77% | 0.767 | S | S | . | * | trans | -92.6 | 131.8 | 165.5 | 55.6 | 0 | 0 | 0 | 0 | 109 | K528 | K528-S530 VanDerWaalsContact CD-OG 3.3Å; K528-S530 WeakPolarHBondContact CD-OG 3.4Å; K528-S530 PolarHBondContact O-N 3.31Å | ||
| 531 | S | 23.2 | Very low | 24.6 | Very low | 114 Ų | 114 | 145.1 Ų | 145.1 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | 54.6 | 84.4 | 176.9 | 61.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 532 | L | 22.7 | Very low | 24.8 | Very low | 161 Ų | 161 | 143.8 Ų | 143.8 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | -141.4 | 111.1 | 121.4 | -88.8 | 171.7 | 0 | 0 | 0 | 105.4 | |||||
| 533 | L | 23.3 | Very low | 24.9 | Very low | 130 Ų | 130 | 145.6 Ų | 145.6 | 68% | 0.681 | 77% | 0.767 | S | S | * | * | 76.4 | 90.9 | 96.3 | -153 | 155.5 | 0 | 0 | 0 | 109.2 | |||||
| 534 | T | 25.2 | Very low | 25.3 | Very low | 120 Ų | 120 | 148.1 Ų | 148.1 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | 68.7 | 136.7 | 96.5 | -41.3 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 535 | E | 25.7 | Very low | 25.6 | Very low | 178 Ų | 178 | 146.2 Ų | 146.2 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | trans | 78.1 | 164.5 | -172 | -49.3 | -171.7 | 90.9 | 0 | 0 | 115.3 | ||||
| 536 | M | 25.9 | Very low | 26.7 | Very low | 186 Ų | 186 | 142 Ų | 142 | 92% | 0.916 | 75% | 0.745 | S | S | * | * | trans | 68.2 | 49.6 | -167.9 | -57.1 | -82 | -81.6 | 0 | 0 | 115.1 | ||||
| 537 | S | 27.5 | Very low | 27.2 | Very low | 100 Ų | 100 | 142.1 Ų | 142.1 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | 69.6 | 103.8 | 70.9 | -162.3 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 538 | N | 25.7 | Very low | 27.8 | Very low | 144 Ų | 144 | 140.3 Ų | 140.3 | 77% | 0.77 | 73% | 0.726 | S | S | * | * | trans | 56.9 | 100.9 | 148.1 | -67.4 | -48.9 | 0 | 0 | 0 | 121.6 | ||||
| 539 | K | 28 | Very low | 28.9 | Very low | 181 Ų | 181 | 137.5 Ų | 137.5 | 79% | 0.787 | 72% | 0.718 | S | S | * | * | -169.6 | 109.8 | 106.1 | -103.5 | 163.8 | -175.5 | 170.6 | 0 | 115 | |||||
| 540 | R | 28.4 | Very low | 29.8 | Very low | 185 Ų | 185 | 133.7 Ų | 133.7 | 70% | 0.698 | 70% | 0.699 | S | S | * | * | trans | 60.1 | 112 | 144.9 | -60 | -176 | -171.1 | 167.6 | 2.5 | 120.3 | F668 | R540-F668 VanDerWaalsContact NH2-CZ 3.33Š| ||
| 541 | E | 26.9 | Very low | 30.9 | Very low | 151 Ų | 151 | 138.9 Ų | 138.9 | 71% | 0.706 | 71% | 0.71 | S | S | * | * | trans | -60.1 | 168.3 | 146.2 | -52.1 | 161.7 | 108.9 | 0 | 0 | 110.5 | ||||
| 542 | T | 28.9 | Very low | 32.2 | Very low | 138 Ų | 138 | 138.1 Ų | 138.1 | 85% | 0.847 | 70% | 0.695 | S | S | * | * | -137.3 | 144.9 | 80.5 | 39.9 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 543 | Q | 27.1 | Very low | 33.7 | Very low | 161 Ų | 161 | 135.6 Ų | 135.6 | 75% | 0.752 | 68% | 0.682 | S | S | * | * | trans | -80.1 | 138.5 | 171.1 | -56.5 | 175.3 | 6.7 | 0 | 0 | 111 | ||||
| 544 | I | 32.1 | Very low | 35.1 | Very low | 153 Ų | 153 | 132.1 Ų | 132.1 | 79% | 0.785 | 67% | 0.669 | S | S | * | * | trans | -127.3 | 108.1 | 154.1 | -62.7 | -176.5 | 0 | 0 | 0 | 108.1 | N546 | I544-N546 PolarHBondContact O-N 3.11Å; I544-N546 VanDerWaalsContact O-N 3.07Å | ||
| 545 | S | 29.8 | Very low | 36.5 | Very low | 84 Ų | 84 | 133 Ų | 133 | 59% | 0.587 | 66% | 0.663 | S | S | * | * | trans | -80.7 | 90.9 | -168.5 | 68.2 | 0 | 0 | 0 | 0 | 112.9 | K547 | S545-K547 PolarHBondContact O-N 3.47Š| ||
| 546 | N | 43.9 | Very low | 37.9 | Very low | 81 Ų | 81 | 129.6 Ų | 129.6 | 43% | 0.433 | 65% | 0.649 | S | S | . | * | trans | -73.9 | 63.9 | 174.6 | -103.1 | -35.6 | 0 | 0 | 0 | 112.6 | I544 Y548 L549 | I544-N546 PolarHBondContact O-N 3.11Å; I544-N546 VanDerWaalsContact O-N 3.07Å; N546-Y548 PolarHBondContact O-N 2.8Å; N546-L549 PolarHBondContact O-N 3.32Å | ||
| 547 | K | 35.1 | Very low | 39.2 | Very low | 153 Ų | 153 | 123.8 Ų | 123.8 | 67% | 0.665 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -50.9 | -30.9 | 174.6 | -70.7 | -178.5 | 179.9 | 176 | 0 | 112.1 | S545 L549 A550 Y551 | S545-K547 PolarHBondContact O-N 3.47Å; K547-L549 PolarHBondContact O-N 2.65Å; K547-A550 PolarHBondContact O-N 3.15Å; K547-Y551 WeakPolarHBondContact O-CB 3.46Å; K547-Y551 PolarHBondContact O-N 2.89Å |
| 548 | Y | 37.8 | Very low | 40.5 | Very low | 149 Ų | 149 | 123 Ų | 123 | 58% | 0.584 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -61.1 | -38.2 | 174.9 | -80.1 | -83.3 | 0 | 0 | 0 | 114.4 | N546 Y551 I552 | N546-Y548 PolarHBondContact O-N 2.8Å; Y548-Y551 WeakPolarHBondContact O-CB 3.48Å; Y548-Y551 PolarHBondContact O-N 3Å; Y548-I552 VanDerWaalsContact O-CG1 3.3Å; Y548-I552 WeakPolarHBondContact O-CG1 3.12Å; Y548-I552 PolarHBondContact O-N 3.14Å |
| 549 | L | 44.7 | Very low | 41.5 | Very low | 108 Ų | 108 | 120.4 Ų | 120.4 | 57% | 0.565 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -72.3 | -39.2 | -179.2 | -158.8 | 156 | 0 | 0 | 0 | 110.3 | N546 K547 Y551 I552 L553 | N546-L549 PolarHBondContact O-N 3.32Å; K547-L549 PolarHBondContact O-N 2.65Å; L549-Y551 VanDerWaalsContact C-N 3.34Å; L549-I552 PolarHBondContact O-N 3Å; L549-L553 HydrophobicContact CD2-CD1 3.65Å; L549-L553 HydrophobicContact CD2-CG 4.18Å; L549-L553 WeakPolarHBondContact O-CG 3.39Å; L549-L553 PolarHBondContact O-N 2.87Å |
| 550 | A | 42.2 | Very low | 42.6 | Very low | 64 Ų | 64 | 114.8 Ų | 114.8 | 53% | 0.529 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.9 | -39.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112 | K547 S554 | K547-A550 PolarHBondContact O-N 3.15Å; A550-S554 WeakPolarHBondContact O-CB 3.45Å; A550-S554 PolarHBondContact O-N 3.3Å |
| 551 | Y | 45.9 | Very low | 43.6 | Very low | 176 Ų | 176 | 111.6 Ų | 111.6 | 69% | 0.69 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.8 | -41.6 | 175.7 | -118.6 | -92.4 | 0 | 0 | 0 | 112.7 | K547 Y548 L549 S554 F555 | K547-Y551 WeakPolarHBondContact O-CB 3.46Å; K547-Y551 PolarHBondContact O-N 2.89Å; Y548-Y551 WeakPolarHBondContact O-CB 3.48Å; Y548-Y551 PolarHBondContact O-N 3Å; L549-Y551 VanDerWaalsContact C-N 3.34Å; Y551-S554 CarbonylContact O-C 3.59Å; Y551-S554 PolarHBondContact O-N 3.39Å; Y551-F555 VanDerWaalsContact O-CB 3.25Å; Y551-F555 WeakPolarHBondContact O-CB 3.39Å; Y551-F555 PolarHBondContact O-N 2.92Å |
| 552 | I | 50.5 | Low | 44.7 | Very low | 97 Ų | 97 | 111.4 Ų | 111.4 | 50% | 0.497 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -69.4 | -44.4 | 179.3 | -70.1 | 164.1 | 0 | 0 | 0 | 110.7 | Y548 L549 S554 F555 I556 | Y548-I552 VanDerWaalsContact O-CG1 3.3Å; Y548-I552 WeakPolarHBondContact O-CG1 3.12Å; Y548-I552 PolarHBondContact O-N 3.14Å; L549-I552 PolarHBondContact O-N 3Å; I552-S554 VanDerWaalsContact C-N 3.34Å; I552-S554 PolarHBondContact O-N 2.82Å; I552-F555 PolarHBondContact O-N 3.49Å; I552-I556 HydrophobicContact CG2-CD1 3.82Å; I552-I556 WeakPolarHBondContact O-CB 3.31Å; I552-I556 VanDerWaalsContact O-CG1 3.31Å; I552-I556 WeakPolarHBondContact O-CG1 3.2Å; I552-I556 PolarHBondContact O-N 3.26Å |
| 553 | L | 52.3 | Low | 45.7 | Very low | 109 Ų | 109 | 110.6 Ų | 110.6 | 57% | 0.571 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64 | -39.3 | 173.1 | -71.7 | 176.2 | 0 | 0 | 0 | 111.8 | L549 S557 | L549-L553 HydrophobicContact CD2-CD1 3.65Å; L549-L553 HydrophobicContact CD2-CG 4.18Å; L549-L553 WeakPolarHBondContact O-CG 3.39Å; L549-L553 PolarHBondContact O-N 2.87Å; L553-S557 WeakPolarHBondContact O-CB 3.2Å; L553-S557 PolarHBondContact O-N 3.22Å |
| 554 | S | 54.5 | Low | 46.8 | Very low | 56 Ų | 56 | 108.8 Ų | 108.8 | 39% | 0.392 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.2 | -40.5 | 172.8 | -178.9 | 0 | 0 | 0 | 0 | 112 | A550 Y551 I552 S557 N558 | A550-S554 WeakPolarHBondContact O-CB 3.45Å; A550-S554 PolarHBondContact O-N 3.3Å; Y551-S554 CarbonylContact O-C 3.59Å; Y551-S554 PolarHBondContact O-N 3.39Å; I552-S554 VanDerWaalsContact C-N 3.34Å; I552-S554 PolarHBondContact O-N 2.82Å; S554-S557 PolarHBondContact O-N 2.94Å; S554-N558 WeakPolarHBondContact O-CB 3.27Å; S554-N558 PolarHBondContact O-N 3.44Å; S554-N558 PolarHBondContact O-ND2 3.29Å; S554-N558 PolarHBondContact OG-ND2 2.9Å; S554-N558 VanDerWaalsContact OG-ND2 3.15Å |
| 555 | F | 54.3 | Low | 47.1 | Very low | 140 Ų | 140 | 107.6 Ų | 107.6 | 61% | 0.614 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -71.6 | -43 | -179.9 | -167.4 | -95.1 | 0 | 0 | 0 | 111.8 | Y551 I552 N558 L559 | Y551-F555 VanDerWaalsContact O-CB 3.25Å; Y551-F555 WeakPolarHBondContact O-CB 3.39Å; Y551-F555 PolarHBondContact O-N 2.92Å; I552-F555 PolarHBondContact O-N 3.49Å; F555-N558 PolarHBondContact O-N 2.86Å; F555-L559 HydrophobicContact CE1-CD2 4.33Å; F555-L559 WeakPolarHBondContact O-CB 3.35Å; F555-L559 PolarHBondContact O-N 2.78Å |
| 556 | I | 54 | Low | 47.8 | Very low | 105 Ų | 105 | 107 Ų | 107 | 54% | 0.538 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.7 | -42.7 | 173.6 | -66.8 | 167.6 | 0 | 0 | 0 | 110.4 | I552 S560 | I552-I556 HydrophobicContact CG2-CD1 3.82Å; I552-I556 WeakPolarHBondContact O-CB 3.31Å; I552-I556 VanDerWaalsContact O-CG1 3.31Å; I552-I556 WeakPolarHBondContact O-CG1 3.2Å; I552-I556 PolarHBondContact O-N 3.26Å; I556-S560 VanDerWaalsContact O-CB 3.26Å; I556-S560 WeakPolarHBondContact O-CB 3.45Å; I556-S560 PolarHBondContact O-N 3.36Å |
| 557 | S | 54.6 | Low | 48 | Very low | 64 Ų | 64 | 107.1 Ų | 107.1 | 45% | 0.448 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.3 | -51.3 | 173.5 | -179.1 | 0 | 0 | 0 | 0 | 111.5 | L553 S554 S560 F561 | L553-S557 WeakPolarHBondContact O-CB 3.2Å; L553-S557 PolarHBondContact O-N 3.22Å; S554-S557 PolarHBondContact O-N 2.94Å; S557-S560 WeakPolarHBondContact O-CB 3.27Å; S557-S560 PolarHBondContact O-N 2.81Å; S557-F561 WeakPolarHBondContact O-CB 3.26Å; S557-F561 PolarHBondContact O-N 2.56Å |
| 558 | N | 53.5 | Low | 48.1 | Very low | 85 Ų | 85 | 106.5 Ų | 106.5 | 46% | 0.455 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -71.3 | -34.1 | -177.1 | -80.7 | -58.2 | 0 | 0 | 0 | 113.6 | S554 F555 F561 M562 | S554-N558 WeakPolarHBondContact O-CB 3.27Å; S554-N558 PolarHBondContact O-N 3.44Å; S554-N558 PolarHBondContact O-ND2 3.29Å; S554-N558 PolarHBondContact OG-ND2 2.9Å; S554-N558 VanDerWaalsContact OG-ND2 3.15Å; F555-N558 PolarHBondContact O-N 2.86Å; N558-F561 CarbonylContact O-C 3.59Å; N558-F561 PolarHBondContact O-N 3.25Å; N558-M562 WeakPolarHBondContact O-CB 3.48Å; N558-M562 PolarHBondContact O-N 2.64Å |
| 559 | L | 46.8 | Very low | 48.2 | Very low | 89 Ų | 89 | 102.2 Ų | 102.2 | 47% | 0.466 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.6 | -41.3 | 174.6 | -172.2 | 64.2 | 0 | 0 | 0 | 110.7 | F555 M562 L563 | F555-L559 HydrophobicContact CE1-CD2 4.33Å; F555-L559 WeakPolarHBondContact O-CB 3.35Å; F555-L559 PolarHBondContact O-N 2.78Å; L559-M562 PolarHBondContact O-N 2.62Å; L559-L563 HydrophobicContact CG-CD1 4.3Å; L559-L563 WeakPolarHBondContact O-CB 3.47Å; L559-L563 WeakPolarHBondContact O-CG 3.47Å; L559-L563 PolarHBondContact O-N 3.15Å |
| 560 | S | 50.6 | Low | 48.2 | Very low | 62 Ų | 62 | 103.3 Ų | 103.3 | 43% | 0.434 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 168 | -175.1 | 0 | 0 | 0 | 0 | 111.1 | I556 S557 M562 L563 F564 | I556-S560 VanDerWaalsContact O-CB 3.26Å; I556-S560 WeakPolarHBondContact O-CB 3.45Å; I556-S560 PolarHBondContact O-N 3.36Å; S557-S560 WeakPolarHBondContact O-CB 3.27Å; S557-S560 PolarHBondContact O-N 2.81Å; S560-M562 PolarHBondContact O-N 3.01Å; S560-L563 PolarHBondContact O-N 2.95Å; S560-F564 WeakPolarHBondContact O-CB 3.48Å; S560-F564 WeakPolarHBondContact O-CD2 3.45Å; S560-F564 PolarHBondContact O-N 3.12Å |
| 561 | F | 50.9 | Low | 48 | Very low | 119 Ų | 119 | 108.3 Ų | 108.3 | 52% | 0.522 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65 | -35.4 | 178.1 | -124.6 | -80.5 | 0 | 0 | 0 | 113.2 | S557 N558 K565 | S557-F561 WeakPolarHBondContact O-CB 3.26Å; S557-F561 PolarHBondContact O-N 2.56Å; N558-F561 CarbonylContact O-C 3.59Å; N558-F561 PolarHBondContact O-N 3.25Å; F561-K565 HydrophobicContact CD1-CD 3.98Å; F561-K565 HydrophobicContact CD1-CG 4.01Å; F561-K565 HydrophobicContact CE1-CG 4.49Å; F561-K565 WeakPolarHBondContact O-CA 3.32Å; F561-K565 WeakPolarHBondContact O-CB 3.4Å; F561-K565 WeakPolarHBondContact O-CG 3.41Å; F561-K565 PolarHBondContact O-N 3.04Å |
| 562 | M | 49.7 | Very low | 47.5 | Very low | 147 Ų | 147 | 109.8 Ų | 109.8 | 72% | 0.724 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -68.9 | -51 | 175 | -95.6 | -163.7 | 166.1 | 0 | 0 | 111.4 | N558 L559 S560 F564 K565 P566 | N558-M562 WeakPolarHBondContact O-CB 3.48Å; N558-M562 PolarHBondContact O-N 2.64Å; L559-M562 PolarHBondContact O-N 2.62Å; S560-M562 PolarHBondContact O-N 3.01Å; M562-F564 VanDerWaalsContact C-N 3.34Å; M562-F564 PolarHBondContact O-N 3.47Å; M562-K565 PolarHBondContact O-N 3.29Å; M562-P566 WeakPolarHBondContact O-CD 3.26Å |
| 563 | L | 48.5 | Very low | 46.9 | Very low | 120 Ų | 120 | 116.5 Ų | 116.5 | 63% | 0.628 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.6 | -37.3 | -178.6 | -70.4 | 168.9 | 0 | 0 | 0 | 112 | L559 S560 | L559-L563 HydrophobicContact CG-CD1 4.3Å; L559-L563 WeakPolarHBondContact O-CB 3.47Å; L559-L563 WeakPolarHBondContact O-CG 3.47Å; L559-L563 PolarHBondContact O-N 3.15Å; S560-L563 PolarHBondContact O-N 2.95Å |
| 564 | F | 51 | Low | 46.2 | Very low | 123 Ų | 123 | 117 Ų | 117 | 54% | 0.539 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -87.1 | -18.4 | 178.1 | -77.9 | -80.7 | 0 | 0 | 0 | 115 | S560 M562 V567 K568 | S560-F564 WeakPolarHBondContact O-CB 3.48Å; S560-F564 WeakPolarHBondContact O-CD2 3.45Å; S560-F564 PolarHBondContact O-N 3.12Å; M562-F564 VanDerWaalsContact C-N 3.34Å; M562-F564 PolarHBondContact O-N 3.47Å; F564-V567 PolarHBondContact O-N 3.06Å; F564-K568 WeakPolarHBondContact O-CB 3.44Å; F564-K568 PolarHBondContact O-N 3.13Å |
| 565 | K | 38.2 | Very low | 44.9 | Very low | 128 Ų | 128 | 125.3 Ų | 125.3 | 56% | 0.557 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -54.9 | -51.5 | 178.8 | -106.4 | 169.3 | 173.1 | 169 | 0 | 114.2 | F561 M562 V567 K568 A569 | F561-K565 HydrophobicContact CD1-CD 3.98Å; F561-K565 HydrophobicContact CD1-CG 4.01Å; F561-K565 HydrophobicContact CE1-CG 4.49Å; F561-K565 WeakPolarHBondContact O-CA 3.32Å; F561-K565 WeakPolarHBondContact O-CB 3.4Å; F561-K565 WeakPolarHBondContact O-CG 3.41Å; F561-K565 PolarHBondContact O-N 3.04Å; M562-K565 PolarHBondContact O-N 3.29Å; K565-V567 VanDerWaalsContact C-N 3.33Å; K565-V567 PolarHBondContact O-N 2.96Å; K565-K568 PolarHBondContact O-N 2.98Å; K565-A569 VanDerWaalsContact O-CB 3.25Å; K565-A569 WeakPolarHBondContact O-CB 3.28Å; K565-A569 PolarHBondContact O-N 2.93Å |
| 566 | P | 45.8 | Very low | 43.8 | Very low | 73 Ų | 73 | 126.5 Ų | 126.5 | 47% | 0.474 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.7 | -39 | -179.7 | 24.2 | -32 | 0 | 0 | 0 | 111.5 | M562 A569 I570 | M562-P566 WeakPolarHBondContact O-CD 3.26Å; P566-A569 PolarHBondContact O-N 3.17Å; P566-I570 VanDerWaalsContact O-CG1 3.32Å; P566-I570 WeakPolarHBondContact O-CG1 3.38Å; P566-I570 PolarHBondContact O-N 2.94Å |
| 567 | V | 47 | Very low | 42.6 | Very low | 83 Ų | 83 | 126.2 Ų | 126.2 | 50% | 0.503 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -64.2 | -46.7 | 177.5 | -173.5 | 0 | 0 | 0 | 0 | 111.3 | F564 K565 A569 F571 | F564-V567 PolarHBondContact O-N 3.06Å; K565-V567 VanDerWaalsContact C-N 3.33Å; K565-V567 PolarHBondContact O-N 2.96Å; V567-A569 PolarHBondContact O-N 2.83Å; V567-F571 PolarHBondContact O-N 2.9Å; V567-F571 VanDerWaalsContact O-N 3.1Å |
| 568 | K | 37.2 | Very low | 41.4 | Very low | 139 Ų | 139 | 132.3 Ų | 132.3 | 60% | 0.604 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -67.9 | -30 | 175.1 | -97.9 | 172.6 | 173.9 | 167.4 | 0 | 113.2 | F564 K565 R572 | F564-K568 WeakPolarHBondContact O-CB 3.44Å; F564-K568 PolarHBondContact O-N 3.13Å; K565-K568 PolarHBondContact O-N 2.98Å; K568-R572 VanDerWaalsContact O-CB 3.31Å; K568-R572 WeakPolarHBondContact O-CB 3.5Å; K568-R572 WeakPolarHBondContact O-CG 3.42Å; K568-R572 PolarHBondContact O-N 2.68Å |
| 569 | A | 40 | Very low | 40.4 | Very low | 60 Ų | 60 | 135.8 Ų | 135.8 | 50% | 0.496 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -71.2 | -45.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | K565 P566 V567 F571 R572 R573 | K565-A569 VanDerWaalsContact O-CB 3.25Å; K565-A569 WeakPolarHBondContact O-CB 3.28Å; K565-A569 PolarHBondContact O-N 2.93Å; P566-A569 PolarHBondContact O-N 3.17Å; V567-A569 PolarHBondContact O-N 2.83Å; A569-F571 VanDerWaalsContact C-N 3.28Å; A569-F571 PolarHBondContact O-N 3.46Å; A569-R572 PolarHBondContact O-N 2.82Å; A569-R572 VanDerWaalsContact O-N 3.07Å; A569-R573 PolarHBondContact O-N 3.16Å |
| 570 | I | 44.5 | Very low | 39.4 | Very low | 130 Ų | 130 | 141.1 Ų | 141.1 | 67% | 0.667 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -59.9 | -40.1 | 174 | -68.6 | 166.6 | 0 | 0 | 0 | 110.5 | P566 R572 | P566-I570 VanDerWaalsContact O-CG1 3.32Å; P566-I570 WeakPolarHBondContact O-CG1 3.38Å; P566-I570 PolarHBondContact O-N 2.94Å; I570-R572 PolarHBondContact O-N 2.92Å |
| 571 | F | 37.8 | Very low | 38.4 | Very low | 170 Ų | 170 | 141.6 Ų | 141.6 | 75% | 0.746 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -74.6 | -14.8 | 175 | -115.2 | -89.5 | 0 | 0 | 0 | 115.4 | V567 A569 | V567-F571 PolarHBondContact O-N 2.9Å; V567-F571 VanDerWaalsContact O-N 3.1Å; A569-F571 VanDerWaalsContact C-N 3.28Å; A569-F571 PolarHBondContact O-N 3.46Å |
| 572 | R | 36 | Very low | 37.6 | Very low | 206 Ų | 206 | 145.1 Ų | 145.1 | 78% | 0.777 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -91.6 | -18.4 | 179.2 | -88.2 | -178.1 | 169.4 | -170 | -3.3 | 114.1 | K568 A569 I570 T574 | K568-R572 VanDerWaalsContact O-CB 3.31Å; K568-R572 WeakPolarHBondContact O-CB 3.5Å; K568-R572 WeakPolarHBondContact O-CG 3.42Å; K568-R572 PolarHBondContact O-N 2.68Å; A569-R572 PolarHBondContact O-N 2.82Å; A569-R572 VanDerWaalsContact O-N 3.07Å; I570-R572 PolarHBondContact O-N 2.92Å; R572-T574 VanDerWaalsContact C-N 3.3Å; R572-T574 PolarHBondContact O-N 2.76Å |
| 573 | R | 38.4 | Very low | 36.7 | Very low | 239 Ų | 239 | 149.1 Ų | 149.1 | 90% | 0.902 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -80.9 | -2.8 | 178.5 | -112.2 | 177.6 | -179.9 | 166.3 | 0.6 | 114.7 | A569 | A569-R573 PolarHBondContact O-N 3.16Š|
| 574 | T | 37 | Very low | 36.2 | Very low | 118 Ų | 118 | 154.6 Ų | 154.6 | 72% | 0.724 | 73% | 0.729 | S | S | * | * | trans | -115 | 52.8 | 179.8 | 40.7 | 0 | 0 | 0 | 0 | 112.3 | R572 | R572-T574 VanDerWaalsContact C-N 3.3Å; R572-T574 PolarHBondContact O-N 2.76Å | ||
| 575 | R | 26.9 | Very low | 35.7 | Very low | 232 Ų | 232 | 156.1 Ų | 156.1 | 88% | 0.875 | 74% | 0.743 | S | S | * | * | trans | -107.6 | 89.8 | -179.2 | -167.8 | -174.3 | -166.2 | -163.4 | 3.8 | 111.7 | ||||
| 576 | L | 31.7 | Very low | 36.2 | Very low | 164 Ų | 164 | 154.6 Ų | 154.6 | 86% | 0.859 | 74% | 0.744 | S | S | * | * | trans | -139.9 | 135.8 | 165.4 | -140.8 | 76.2 | 0 | 0 | 0 | 111 | ||||
| 577 | S | 28.6 | Very low | 36.5 | Very low | 100 Ų | 100 | 154.1 Ų | 154.1 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | trans | -2 | 116.1 | 170.1 | 55.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 578 | F | 30 | Very low | 36.9 | Very low | 191 Ų | 191 | 154.1 Ų | 154.1 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | -162.4 | 123.1 | 118.4 | -130.2 | -95.4 | 0 | 0 | 0 | 111.7 | |||||
| 579 | M | 31.3 | Very low | 38.1 | Very low | 159 Ų | 159 | 150.7 Ų | 150.7 | 78% | 0.783 | 75% | 0.749 | S | S | * | * | trans | -108.1 | 163.8 | 165.1 | -79 | -176.6 | 69.1 | 0 | 0 | 109.3 | ||||
| 580 | K | 26.9 | Very low | 39.1 | Very low | 200 Ų | 200 | 153.7 Ų | 153.7 | 87% | 0.87 | 75% | 0.753 | S | S | * | * | trans | 52.4 | 90.9 | 167.4 | -63.9 | -179.5 | 178.6 | -178.3 | 0 | 115.1 | ||||
| 581 | G | 29.2 | Very low | 39.8 | Very low | 72 Ų | 72 | 149.7 Ų | 149.7 | 74% | 0.742 | 73% | 0.734 | S | S | * | * | trans | -149.3 | 139.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 582 | H | 34.4 | Very low | 40.8 | Very low | 193 Ų | 193 | 144.4 Ų | 144.4 | 89% | 0.894 | 72% | 0.722 | S | S | * | * | trans | -51.2 | 143.9 | -169.9 | -109.6 | 40.1 | 0 | 0 | 0 | 115.5 | R584 | H582-R584 PolarHBondContact O-N 2.81Š| ||
| 583 | R | 30.6 | Very low | 42.2 | Very low | 232 Ų | 232 | 137.5 Ų | 137.5 | 88% | 0.875 | 71% | 0.709 | S | S | * | * | trans | -65.4 | 129.3 | 163.5 | -74.7 | -179.2 | 175.3 | 171.3 | -2.5 | 109.7 | ||||
| 584 | R | 37.5 | Very low | 43.2 | Very low | 234 Ų | 234 | 129.2 Ų | 129.2 | 88% | 0.883 | 68% | 0.678 | S | S | * | * | trans | -131.1 | 122.4 | 150.5 | -80.9 | -174.3 | 172 | 161 | -1.6 | 107.7 | H582 V586 | H582-R584 PolarHBondContact O-N 2.81Å; R584-V586 PolarHBondContact O-N 3.35Å | ||
| 585 | N | 41 | Very low | 44.2 | Very low | 155 Ų | 155 | 127.2 Ų | 127.2 | 83% | 0.829 | 66% | 0.662 | S | S | * | * | trans | -78.6 | 110.9 | -179.4 | -65.3 | -10 | 0 | 0 | 0 | 108.6 | ||||
| 586 | V | 48.6 | Very low | 45.8 | Very low | 97 Ų | 97 | 120.1 Ų | 120.1 | 59% | 0.588 | 65% | 0.654 | S | S | * | * | trans | -86 | 130 | 173.1 | 176.2 | 0 | 0 | 0 | 0 | 108.4 | R584 Q590 | R584-V586 PolarHBondContact O-N 3.35Å; V586-Q590 HydrophobicContact CG1-CB 4.12Å | ||
| 587 | S | 52.8 | Low | 47.3 | Very low | 62 Ų | 62 | 115.7 Ų | 115.7 | 43% | 0.434 | 64% | 0.636 | S | S | . | * | trans | -67.7 | 147.7 | -176.9 | 174.5 | 0 | 0 | 0 | 0 | 112.3 | A589 Q590 T591 | S587-A589 PolarHBondContact O-N 3.26Å; S587-A589 PolarHBondContact OG-N 2.84Å; S587-A589 VanDerWaalsContact OG-N 3.16Å; S587-Q590 PolarHBondContact O-N 2.73Å; S587-T591 PolarHBondContact O-N 2.95Å; S587-T591 VanDerWaalsContact O-N 3.11Å; S587-T591 PolarHBondContact O-OG1 3.43Å; S587-T591 VanDerWaalsContact O-OG1 3.05Å | ||
| 588 | A | 54.1 | Low | 48.2 | Very low | 83 Ų | 83 | 116.3 Ų | 116.3 | 69% | 0.686 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -56.5 | -34.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | T591 A592 | A588-T591 WeakPolarHBondContact O-CB 3.26Å; A588-T591 PolarHBondContact O-N 3.02Å; A588-A592 PolarHBondContact O-N 2.78Å |
| 589 | A | 62.6 | Low | 48.8 | Very low | 68 Ų | 68 | 110.3 Ų | 110.3 | 56% | 0.562 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.3 | -43.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S587 T591 A592 A593 | S587-A589 PolarHBondContact O-N 3.26Å; S587-A589 PolarHBondContact OG-N 2.84Å; S587-A589 VanDerWaalsContact OG-N 3.16Å; A589-T591 VanDerWaalsContact C-N 3.26Å; A589-T591 PolarHBondContact O-N 3.06Å; A589-A592 PolarHBondContact O-N 3.46Å; A589-A593 WeakPolarHBondContact O-CB 3.29Å; A589-A593 PolarHBondContact O-N 2.8Å |
| 590 | Q | 62 | Low | 49.5 | Very low | 123 Ų | 123 | 112 Ų | 112 | 58% | 0.575 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -63.4 | -34.9 | 174.6 | -71.4 | 174.4 | -28.5 | 0 | 0 | 111.6 | V586 S587 Y594 | V586-Q590 HydrophobicContact CG1-CB 4.12Å; S587-Q590 PolarHBondContact O-N 2.73Å; Q590-Y594 PolarHBondContact O-N 3.13Å |
| 591 | T | 57.3 | Low | 49.9 | Very low | 46 Ų | 46 | 109.3 Ų | 109.3 | 28% | 0.282 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -67.8 | -41.9 | 176.2 | -53.8 | 0 | 0 | 0 | 0 | 111.6 | S587 A588 A589 L595 L609 | S587-T591 PolarHBondContact O-N 2.95Å; S587-T591 VanDerWaalsContact O-N 3.11Å; S587-T591 PolarHBondContact O-OG1 3.43Å; S587-T591 VanDerWaalsContact O-OG1 3.05Å; A588-T591 WeakPolarHBondContact O-CB 3.26Å; A588-T591 PolarHBondContact O-N 3.02Å; A589-T591 VanDerWaalsContact C-N 3.26Å; A589-T591 PolarHBondContact O-N 3.06Å; T591-L595 WeakPolarHBondContact O-CG 3.38Å; T591-L595 PolarHBondContact O-N 3.47Å; T591-L609 HydrophobicContact CG2-CD2 4.29Å |
| 592 | A | 60 | Low | 50.5 | Low | 58 Ų | 58 | 110.6 Ų | 110.6 | 48% | 0.479 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -67.2 | -45.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | A588 A589 Y594 L595 A596 | A588-A592 PolarHBondContact O-N 2.78Å; A589-A592 PolarHBondContact O-N 3.46Å; A592-Y594 VanDerWaalsContact C-N 3.32Å; A592-Y594 PolarHBondContact O-N 3.09Å; A592-L595 PolarHBondContact O-N 3.18Å; A592-A596 PolarHBondContact O-N 3.1Å |
| 593 | A | 65.6 | Low | 51.2 | Low | 61 Ų | 61 | 109.9 Ų | 109.9 | 50% | 0.504 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -58.1 | -41.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A589 L595 A596 S597 | A589-A593 WeakPolarHBondContact O-CB 3.29Å; A589-A593 PolarHBondContact O-N 2.8Å; A593-L595 VanDerWaalsContact C-N 3.31Å; A593-L595 PolarHBondContact O-N 2.72Å; A593-A596 PolarHBondContact O-N 2.93Å; A593-S597 PolarHBondContact O-N 3.49Å |
| 594 | Y | 59.7 | Low | 52.3 | Low | 66 Ų | 66 | 106.2 Ų | 106.2 | 26% | 0.259 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -67.5 | -28 | 176.4 | -179 | -97.4 | 0 | 0 | 0 | 113.9 | Q590 A592 V605 L609 R613 | Q590-Y594 PolarHBondContact O-N 3.13Å; A592-Y594 VanDerWaalsContact C-N 3.32Å; A592-Y594 PolarHBondContact O-N 3.09Å; Y594-V605 HydrophobicContact CD2-CG2 4.45Å; Y594-V605 HydrophobicContact CE1-CG1 4.1Å; Y594-V605 HydrophobicContact CE2-CB 4.45Å; Y594-V605 HydrophobicContact CE2-CG1 4.05Å; Y594-V605 HydrophobicContact CE2-CG2 3.79Å; Y594-L609 HydrophobicContact CD1-CB 4.45Å; Y594-L609 HydrophobicContact CD1-CD2 3.98Å; Y594-L609 HydrophobicContact CE1-CB 4.16Å; Y594-L609 HydrophobicContact CE1-CD2 4.46Å; Y594-R613 PolarHBondContact O-NH1 3.31Å |
| 595 | L | 56.4 | Low | 53.2 | Low | 75 Ų | 75 | 96.5 Ų | 96.5 | 39% | 0.393 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -77.4 | -27.8 | 174.4 | -71.2 | 168.4 | 0 | 0 | 0 | 112.4 | T591 A592 A593 R613 | T591-L595 WeakPolarHBondContact O-CG 3.38Å; T591-L595 PolarHBondContact O-N 3.47Å; A592-L595 PolarHBondContact O-N 3.18Å; A593-L595 VanDerWaalsContact C-N 3.31Å; A593-L595 PolarHBondContact O-N 2.72Å; L595-R613 HydrophobicContact CD2-CB 4.45Å |
| 596 | A | 62.2 | Low | 54.6 | Low | 84 Ų | 84 | 93.1 Ų | 93.1 | 69% | 0.694 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -85.4 | -25.6 | 179 | 0 | 0 | 0 | 0 | 0 | 114.4 | A592 A593 D598 | A592-A596 PolarHBondContact O-N 3.1Å; A593-A596 PolarHBondContact O-N 2.93Å; A596-D598 PolarHBondContact O-N 3.31Å |
| 597 | S | 62.6 | Low | 55 | Low | 70 Ų | 70 | 98.3 Ų | 98.3 | 49% | 0.49 | 59% | 0.585 | S | S | . | * | trans | -77.2 | 101.5 | -177.9 | 177.6 | 0 | 0 | 0 | 0 | 112.6 | A593 R613 | A593-S597 PolarHBondContact O-N 3.49Å; S597-R613 VanDerWaalsContact O-CZ 3.28Å; S597-R613 PolarHBondContact O-NH1 2.96Å; S597-R613 PolarHBondContact O-NH2 2.99Å | ||
| 598 | D | 48.2 | Very low | 55.2 | Low | 113 Ų | 113 | 106.3 Ų | 106.3 | 60% | 0.604 | 61% | 0.605 | S | S | * | * | trans | -87.9 | 122 | 163.5 | -94.6 | -16.7 | 0 | 0 | 0 | 110.1 | A596 R613 K617 | A596-D598 PolarHBondContact O-N 3.31Å; D598-R613 IonicContact OD1-CZ 3.89Å; D598-R613 IonicContact OD1-NH2 2.72Å; D598-R613 PolarHBondContact OD1-NH2 3.22Å; D598-K617 VanDerWaalsContact CG-NZ 3.32Å; D598-K617 IonicContact OD1-NZ 2.85Å; D598-K617 PolarHBondContact OD1-NZ 3.44Å; D598-K617 IonicContact OD2-NZ 2.93Å; D598-K617 PolarHBondContact OD2-NZ 3.45Å | ||
| 599 | G | 42.3 | Very low | 55.6 | Low | 65 Ų | 65 | 104.2 Ų | 104.2 | 67% | 0.67 | 58% | 0.582 | S | S | * | * | S | Bend | trans | 101 | 69.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||
| 600 | Q | 44.8 | Very low | 55.7 | Low | 195 Ų | 195 | 107.5 Ų | 107.5 | 91% | 0.911 | 58% | 0.58 | S | S | * | * | trans | 177.9 | 154.1 | 133.7 | -99.2 | 176 | 20.1 | 0 | 0 | 111.4 | ||||
| 601 | T | 36.6 | Very low | 55.7 | Low | 143 Ų | 143 | 106.4 Ų | 106.4 | 88% | 0.877 | 58% | 0.582 | S | S | * | * | trans | -102.1 | 86.3 | -170.2 | 49.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 602 | S | 41.9 | Very low | 55.9 | Low | 99 Ų | 99 | 108.5 Ų | 108.5 | 69% | 0.692 | 59% | 0.591 | S | S | * | * | trans | -82.6 | 134.9 | 166.3 | 179 | 0 | 0 | 0 | 0 | 111.3 | N604 | S602-N604 PolarHBondContact O-N 3.37Š| ||
| 603 | Q | 47.2 | Very low | 55.9 | Low | 179 Ų | 179 | 108.5 Ų | 108.5 | 84% | 0.836 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -76.8 | -18.8 | -162.2 | -68.9 | -176.5 | -15.2 | 0 | 0 | 115.6 | V605 | Q603-V605 PolarHBondContact O-N 3.39Š|
| 604 | N | 55 | Low | 55.5 | Low | 154 Ų | 154 | 109.9 Ų | 109.9 | 82% | 0.824 | 58% | 0.584 | S | S | * | * | trans | -95.6 | 26.8 | -162.8 | -72.6 | -26.6 | 0 | 0 | 0 | 116.4 | S602 | S602-N604 PolarHBondContact O-N 3.37Š| ||
| 605 | V | 56.5 | Low | 55.5 | Low | 30 Ų | 30 | 115.4 Ų | 115.4 | 18% | 0.182 | 60% | 0.604 | C | S | . | * | trans | -96.5 | 125.1 | -176.8 | -173.2 | 0 | 0 | 0 | 0 | 113 | Y594 Q603 L609 R610 | Y594-V605 HydrophobicContact CD2-CG2 4.45Å; Y594-V605 HydrophobicContact CE1-CG1 4.1Å; Y594-V605 HydrophobicContact CE2-CB 4.45Å; Y594-V605 HydrophobicContact CE2-CG1 4.05Å; Y594-V605 HydrophobicContact CE2-CG2 3.79Å; Q603-V605 PolarHBondContact O-N 3.39Å; V605-L609 HydrophobicContact CG1-CB 3.93Å; V605-L609 HydrophobicContact CG1-CD1 4.33Å; V605-R610 PolarHBondContact O-NH2 3.13Å | ||
| 606 | P | 69.9 | Low | 55.6 | Low | 84 Ų | 84 | 115.6 Ų | 115.6 | 55% | 0.545 | 62% | 0.617 | S | S | . | * | trans | -66.6 | 145.2 | -175.8 | 26.5 | -35.3 | 0 | 0 | 0 | 113.2 | R608 L609 | P606-R608 PolarHBondContact O-N 2.99Å; P606-L609 HydrophobicContact CG-CD1 4.28Å; P606-L609 PolarHBondContact O-N 2.87Å | ||
| 607 | R | 58 | Low | 55.2 | Low | 207 Ų | 207 | 118.1 Ų | 118.1 | 78% | 0.781 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -53.9 | -31.7 | -170.7 | -66.2 | -177.1 | -179.9 | 179.1 | -0.4 | 114.5 | L609 R610 V611 | R607-L609 VanDerWaalsContact C-N 3.34Å; R607-L609 PolarHBondContact O-N 2.81Å; R607-R610 PolarHBondContact O-N 2.8Å; R607-V611 PolarHBondContact O-N 3.34Å; R607-V611 VanDerWaalsContact O-N 3.08Å |
| 608 | R | 56.6 | Low | 54.8 | Low | 229 Ų | 229 | 116.3 Ų | 116.3 | 86% | 0.864 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -58.5 | -39.9 | 177.9 | -68.3 | -175.6 | 178.7 | -178.1 | -0.1 | 113 | P606 V611 L612 | P606-R608 PolarHBondContact O-N 2.99Å; R608-V611 PolarHBondContact O-N 3.03Å; R608-L612 PolarHBondContact O-N 2.76Å |
| 609 | L | 62.6 | Low | 55.2 | Low | 39 Ų | 39 | 120.4 Ų | 120.4 | 20% | 0.204 | 61% | 0.606 | C | S | . | * | H | α-helix | trans | -71.8 | -31.9 | 178.7 | -91.2 | 157.3 | 0 | 0 | 0 | 112.7 | T591 Y594 V605 P606 R607 L612 R613 | T591-L609 HydrophobicContact CG2-CD2 4.29Å; Y594-L609 HydrophobicContact CD1-CB 4.45Å; Y594-L609 HydrophobicContact CD1-CD2 3.98Å; Y594-L609 HydrophobicContact CE1-CB 4.16Å; Y594-L609 HydrophobicContact CE1-CD2 4.46Å; V605-L609 HydrophobicContact CG1-CB 3.93Å; V605-L609 HydrophobicContact CG1-CD1 4.33Å; P606-L609 HydrophobicContact CG-CD1 4.28Å; P606-L609 PolarHBondContact O-N 2.87Å; R607-L609 VanDerWaalsContact C-N 3.34Å; R607-L609 PolarHBondContact O-N 2.81Å; L609-L612 PolarHBondContact O-N 3.31Å; L609-R613 WeakPolarHBondContact O-CB 3.4Å; L609-R613 PolarHBondContact O-N 3.18Å |
| 610 | R | 64.3 | Low | 56 | Low | 138 Ų | 138 | 123.5 Ų | 123.5 | 52% | 0.521 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.1 | -41.4 | 170.7 | -86 | -178.2 | -90 | 179.8 | -12.6 | 112.2 | V605 R607 R613 C614 | V605-R610 PolarHBondContact O-NH2 3.13Å; R607-R610 PolarHBondContact O-N 2.8Å; R610-R613 PolarHBondContact O-N 2.71Å; R610-C614 WeakPolarHBondContact O-CB 3.49Å; R610-C614 PolarHBondContact O-N 2.93Å |
| 611 | V | 62.8 | Low | 56.8 | Low | 99 Ų | 99 | 118 Ų | 118 | 60% | 0.6 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.1 | -44.7 | 173.5 | 176.2 | 0 | 0 | 0 | 0 | 110.8 | R607 R608 R613 C614 W615 | R607-V611 PolarHBondContact O-N 3.34Å; R607-V611 VanDerWaalsContact O-N 3.08Å; R608-V611 PolarHBondContact O-N 3.03Å; V611-R613 PolarHBondContact O-N 2.97Å; V611-C614 PolarHBondContact O-N 3.26Å; V611-W615 PolarHBondContact O-N 2.87Å |
| 612 | L | 60.9 | Low | 57.8 | Low | 91 Ų | 91 | 118 Ų | 118 | 48% | 0.476 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -61.1 | -44.3 | 178.5 | -143 | 78.9 | 0 | 0 | 0 | 112.4 | R608 L609 C614 W615 A616 | R608-L612 PolarHBondContact O-N 2.76Å; L609-L612 PolarHBondContact O-N 3.31Å; L612-C614 VanDerWaalsContact C-N 3.35Å; L612-C614 PolarHBondContact O-N 2.85Å; L612-W615 PolarHBondContact O-N 3.09Å; L612-A616 WeakPolarHBondContact O-CB 3.1Å; L612-A616 PolarHBondContact O-N 3.33Å |
| 613 | R | 59.1 | Low | 58.9 | Low | 57 Ų | 57 | 122.6 Ų | 122.6 | 22% | 0.215 | 58% | 0.575 | C | S | . | * | H | α-helix | trans | -65 | -36.7 | 176.2 | -169.1 | 171.7 | -179.6 | 157.2 | -1.8 | 112.2 | Y594 L595 S597 D598 L609 R610 V611 K617 | Y594-R613 PolarHBondContact O-NH1 3.31Å; L595-R613 HydrophobicContact CD2-CB 4.45Å; S597-R613 VanDerWaalsContact O-CZ 3.28Å; S597-R613 PolarHBondContact O-NH1 2.96Å; S597-R613 PolarHBondContact O-NH2 2.99Å; D598-R613 IonicContact OD1-CZ 3.89Å; D598-R613 IonicContact OD1-NH2 2.72Å; D598-R613 PolarHBondContact OD1-NH2 3.22Å; L609-R613 WeakPolarHBondContact O-CB 3.4Å; L609-R613 PolarHBondContact O-N 3.18Å; R610-R613 PolarHBondContact O-N 2.71Å; V611-R613 PolarHBondContact O-N 2.97Å; R613-K617 PolarHBondContact O-N 3.29Å; R613-K617 VanDerWaalsContact O-N 3.13Å |
| 614 | C | 58.8 | Low | 59.9 | Low | 91 Ų | 91 | 117.6 Ų | 117.6 | 62% | 0.615 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.8 | -41.1 | 174.2 | -167.5 | 0 | 0 | 0 | 0 | 112.1 | R610 V611 L612 S618 | R610-C614 WeakPolarHBondContact O-CB 3.49Å; R610-C614 PolarHBondContact O-N 2.93Å; V611-C614 PolarHBondContact O-N 3.26Å; L612-C614 VanDerWaalsContact C-N 3.35Å; L612-C614 PolarHBondContact O-N 2.85Å; C614-S618 WeakPolarHBondContact O-CB 3.42Å; C614-S618 PolarHBondContact O-OG 2.85Å |
| 615 | W | 58.4 | Low | 60.6 | Low | 181 Ų | 181 | 114.4 Ų | 114.4 | 69% | 0.686 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.3 | -50.7 | 176 | -153.2 | 66 | 0 | 0 | 0 | 110.3 | V611 L612 K617 S618 | V611-W615 PolarHBondContact O-N 2.87Å; L612-W615 PolarHBondContact O-N 3.09Å; W615-K617 PolarHBondContact O-N 2.97Å; W615-S618 PolarHBondContact O-N 3.22Å; W615-S618 PolarHBondContact O-OG 3.44Å |
| 616 | A | 58.5 | Low | 61.2 | Low | 80 Ų | 80 | 119.1 Ų | 119.1 | 66% | 0.661 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.9 | -34.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L612 S618 | L612-A616 WeakPolarHBondContact O-CB 3.1Å; L612-A616 PolarHBondContact O-N 3.33Å; A616-S618 VanDerWaalsContact C-N 3.32Å; A616-S618 PolarHBondContact O-N 3.05Å |
| 617 | K | 53.9 | Low | 61.3 | Low | 136 Ų | 136 | 121.5 Ų | 121.5 | 59% | 0.591 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -1.2 | -177.9 | -140.3 | 158.3 | -170.4 | 167.7 | 0 | 113.5 | D598 R613 W615 R619 | D598-K617 VanDerWaalsContact CG-NZ 3.32Å; D598-K617 IonicContact OD1-NZ 2.85Å; D598-K617 PolarHBondContact OD1-NZ 3.44Å; D598-K617 IonicContact OD2-NZ 2.93Å; D598-K617 PolarHBondContact OD2-NZ 3.45Å; R613-K617 PolarHBondContact O-N 3.29Å; R613-K617 VanDerWaalsContact O-N 3.13Å; W615-K617 PolarHBondContact O-N 2.97Å; K617-R619 PolarHBondContact O-N 3.1Å |
| 618 | S | 54.7 | Low | 61.9 | Low | 32 Ų | 32 | 116.3 Ų | 116.3 | 22% | 0.224 | 55% | 0.551 | C | S | . | * | trans | -102.1 | 72.2 | -169.3 | 68.2 | 0 | 0 | 0 | 0 | 115.2 | C614 W615 A616 L620 I621 | C614-S618 WeakPolarHBondContact O-CB 3.42Å; C614-S618 PolarHBondContact O-OG 2.85Å; W615-S618 PolarHBondContact O-N 3.22Å; W615-S618 PolarHBondContact O-OG 3.44Å; A616-S618 VanDerWaalsContact C-N 3.32Å; A616-S618 PolarHBondContact O-N 3.05Å; S618-L620 PolarHBondContact O-N 2.92Å; S618-I621 PolarHBondContact O-N 3Å; S618-I621 WeakPolarHBondContact OG-CD1 2.95Å | ||
| 619 | R | 57.6 | Low | 62.5 | Low | 200 Ų | 200 | 110.8 Ų | 110.8 | 76% | 0.755 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -49.2 | -24 | 176.6 | -75.4 | -178.4 | 172.7 | 169.2 | -2 | 115.2 | K617 R623 | K617-R619 PolarHBondContact O-N 3.1Å; R619-R623 PolarHBondContact O-N 2.9Å |
| 620 | L | 59.1 | Low | 62.7 | Low | 130 Ų | 130 | 111.7 Ų | 111.7 | 68% | 0.681 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.4 | -38 | 179 | -154.5 | 156.2 | 0 | 0 | 0 | 111.9 | S618 Q622 R623 V624 | S618-L620 PolarHBondContact O-N 2.92Å; L620-Q622 PolarHBondContact O-N 2.93Å; L620-R623 PolarHBondContact O-N 2.86Å; L620-V624 HydrophobicContact CD2-CG2 3.99Å; L620-V624 PolarHBondContact O-N 2.91Å |
| 621 | I | 60.8 | Low | 63 | Low | 80 Ų | 80 | 109.2 Ų | 109.2 | 41% | 0.41 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.5 | -43.7 | 178.2 | -59.7 | -173.4 | 0 | 0 | 0 | 110.6 | S618 R623 V624 L625 | S618-I621 PolarHBondContact O-N 3Å; S618-I621 WeakPolarHBondContact OG-CD1 2.95Å; I621-R623 VanDerWaalsContact C-N 3.31Å; I621-R623 PolarHBondContact O-N 2.9Å; I621-V624 PolarHBondContact O-N 3.49Å; I621-L625 WeakPolarHBondContact O-CB 3.42Å; I621-L625 PolarHBondContact O-N 3.24Å |
| 622 | Q | 57.4 | Low | 63.2 | Low | 142 Ų | 142 | 111.7 Ų | 111.7 | 66% | 0.664 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -58.8 | -40.2 | 175.5 | -75.9 | -178.1 | -47.3 | 0 | 0 | 112.5 | L620 L625 L626 | L620-Q622 PolarHBondContact O-N 2.93Å; Q622-L625 PolarHBondContact O-N 3.34Å; Q622-L626 WeakPolarHBondContact O-CB 3.19Å; Q622-L626 PolarHBondContact O-N 3.3Å |
| 623 | R | 64 | Low | 63.5 | Low | 196 Ų | 196 | 110.9 Ų | 110.9 | 74% | 0.74 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.5 | -41.1 | 177.2 | -72.3 | -178.5 | 174.3 | -169.3 | -3.3 | 112.4 | R619 L620 I621 L626 F627 | R619-R623 PolarHBondContact O-N 2.9Å; L620-R623 PolarHBondContact O-N 2.86Å; I621-R623 VanDerWaalsContact C-N 3.31Å; I621-R623 PolarHBondContact O-N 2.9Å; R623-L626 PolarHBondContact O-N 2.86Å; R623-F627 WeakPolarHBondContact O-CB 3.42Å; R623-F627 PolarHBondContact O-N 2.83Å |
| 624 | V | 69.3 | Low | 63.9 | Low | 74 Ų | 74 | 112.3 Ų | 112.3 | 45% | 0.448 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 174.9 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | L620 I621 L626 F627 I628 | L620-V624 HydrophobicContact CD2-CG2 3.99Å; L620-V624 PolarHBondContact O-N 2.91Å; I621-V624 PolarHBondContact O-N 3.49Å; V624-L626 PolarHBondContact O-N 3.11Å; V624-F627 PolarHBondContact O-N 3.04Å; V624-I628 HydrophobicContact CG1-CD1 3.83Å; V624-I628 VanDerWaalsContact O-CG1 3.31Å; V624-I628 WeakPolarHBondContact O-CG1 3.46Å; V624-I628 PolarHBondContact O-N 3.42Å |
| 625 | L | 69 | Low | 64 | Low | 86 Ų | 86 | 113 Ų | 113 | 45% | 0.45 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 177.6 | -126.2 | 165.4 | 0 | 0 | 0 | 111.8 | I621 Q622 I628 F629 | I621-L625 WeakPolarHBondContact O-CB 3.42Å; I621-L625 PolarHBondContact O-N 3.24Å; Q622-L625 PolarHBondContact O-N 3.34Å; L625-I628 PolarHBondContact O-N 2.95Å; L625-F629 HydrophobicContact CD2-CD2 3.69Å; L625-F629 HydrophobicContact CD2-CE2 3.7Å; L625-F629 PolarHBondContact O-N 3.01Å |
| 626 | L | 69.3 | Low | 64.2 | Low | 129 Ų | 129 | 107.3 Ų | 107.3 | 68% | 0.675 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.3 | -36.4 | 176.3 | -168.3 | 150 | 0 | 0 | 0 | 112.2 | Q622 R623 V624 F629 S630 | Q622-L626 WeakPolarHBondContact O-CB 3.19Å; Q622-L626 PolarHBondContact O-N 3.3Å; R623-L626 PolarHBondContact O-N 2.86Å; V624-L626 PolarHBondContact O-N 3.11Å; L626-F629 PolarHBondContact O-N 3.4Å; L626-S630 WeakPolarHBondContact O-CB 3.42Å; L626-S630 PolarHBondContact O-N 3.42Å |
| 627 | F | 71.6 | Confident | 64.2 | Low | 135 Ų | 135 | 108.7 Ų | 108.7 | 59% | 0.592 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.9 | -42.6 | 172.7 | -176.2 | -103 | 0 | 0 | 0 | 112.1 | R623 V624 S630 L631 | R623-F627 WeakPolarHBondContact O-CB 3.42Å; R623-F627 PolarHBondContact O-N 2.83Å; V624-F627 PolarHBondContact O-N 3.04Å; F627-S630 PolarHBondContact O-N 2.96Å; F627-L631 HydrophobicContact CD1-CD1 4Å; F627-L631 HydrophobicContact CE1-CD1 3.49Å; F627-L631 VanDerWaalsContact CE1-CD1 3.49Å; F627-L631 HydrophobicContact CE1-CG 4.22Å; F627-L631 HydrophobicContact CZ-CD1 3.97Å; F627-L631 HydrophobicContact CZ-CG 4.34Å; F627-L631 PolarHBondContact O-N 3.23Å |
| 628 | I | 71.4 | Confident | 64.3 | Low | 97 Ų | 97 | 108.2 Ų | 108.2 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 173.6 | -69 | 166.4 | 0 | 0 | 0 | 110.8 | V624 L625 S630 L631 W632 | V624-I628 HydrophobicContact CG1-CD1 3.83Å; V624-I628 VanDerWaalsContact O-CG1 3.31Å; V624-I628 WeakPolarHBondContact O-CG1 3.46Å; V624-I628 PolarHBondContact O-N 3.42Å; L625-I628 PolarHBondContact O-N 2.95Å; I628-S630 VanDerWaalsContact C-N 3.34Å; I628-S630 PolarHBondContact O-N 2.73Å; I628-L631 PolarHBondContact O-N 3.02Å; I628-W632 VanDerWaalsContact O-CB 3.29Å; I628-W632 WeakPolarHBondContact O-CB 3.31Å; I628-W632 PolarHBondContact O-N 3.46Å |
| 629 | F | 68.8 | Low | 64.1 | Low | 113 Ų | 113 | 111.1 Ų | 111.1 | 50% | 0.496 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.6 | -37.2 | 173.7 | -99.5 | -76.7 | 0 | 0 | 0 | 112.6 | L625 L626 W632 V633 | L625-F629 HydrophobicContact CD2-CD2 3.69Å; L625-F629 HydrophobicContact CD2-CE2 3.7Å; L625-F629 PolarHBondContact O-N 3.01Å; L626-F629 PolarHBondContact O-N 3.4Å; F629-W632 AromaticContact CD1-CE3 3.86Å; F629-W632 HydrophobicContact CD1-CE3 3.86Å; F629-W632 HydrophobicContact CD1-CZ3 4.31Å; F629-W632 AromaticContact CE1-CE3 3.83Å; F629-W632 HydrophobicContact CE1-CE3 3.83Å; F629-W632 AromaticContact CE1-CZ3 3.87Å; F629-W632 HydrophobicContact CE1-CZ3 3.87Å; F629-W632 PolarHBondContact O-N 3.25Å; F629-V633 WeakPolarHBondContact O-CB 3.47Å; F629-V633 VanDerWaalsContact O-CG2 3.31Å; F629-V633 WeakPolarHBondContact O-CG2 3.2Å; F629-V633 PolarHBondContact O-N 2.84Å |
| 630 | S | 67.6 | Low | 63.9 | Low | 58 Ų | 58 | 103.2 Ų | 103.2 | 41% | 0.406 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.1 | -46.5 | 175.6 | -176 | 0 | 0 | 0 | 0 | 111.5 | L626 F627 I628 W632 V633 I634 | L626-S630 WeakPolarHBondContact O-CB 3.42Å; L626-S630 PolarHBondContact O-N 3.42Å; F627-S630 PolarHBondContact O-N 2.96Å; I628-S630 VanDerWaalsContact C-N 3.34Å; I628-S630 PolarHBondContact O-N 2.73Å; S630-W632 VanDerWaalsContact C-N 3.31Å; S630-W632 PolarHBondContact O-N 3.38Å; S630-V633 PolarHBondContact O-N 2.57Å; S630-I634 VanDerWaalsContact O-CG1 3.28Å; S630-I634 WeakPolarHBondContact O-CG1 3.44Å; S630-I634 PolarHBondContact O-N 2.8Å |
| 631 | L | 70.4 | Confident | 63.5 | Low | 86 Ų | 86 | 102 Ų | 102 | 45% | 0.45 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.1 | -38.5 | 172.1 | -74.9 | 175.8 | 0 | 0 | 0 | 112.3 | F627 I628 I634 M635 | F627-L631 HydrophobicContact CD1-CD1 4Å; F627-L631 HydrophobicContact CE1-CD1 3.49Å; F627-L631 VanDerWaalsContact CE1-CD1 3.49Å; F627-L631 HydrophobicContact CE1-CG 4.22Å; F627-L631 HydrophobicContact CZ-CD1 3.97Å; F627-L631 HydrophobicContact CZ-CG 4.34Å; F627-L631 PolarHBondContact O-N 3.23Å; I628-L631 PolarHBondContact O-N 3.02Å; L631-I634 PolarHBondContact O-N 3.03Å; L631-M635 VanDerWaalsContact O-CB 3.31Å; L631-M635 WeakPolarHBondContact O-CB 3.05Å; L631-M635 WeakPolarHBondContact O-CG 3.38Å; L631-M635 PolarHBondContact O-N 3.25Å |
| 632 | W | 67.1 | Low | 62.9 | Low | 152 Ų | 152 | 102.5 Ų | 102.5 | 58% | 0.576 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68.1 | -38.3 | 177.2 | -169.9 | 64.9 | 0 | 0 | 0 | 112.3 | I628 F629 S630 M635 I636 | I628-W632 VanDerWaalsContact O-CB 3.29Å; I628-W632 WeakPolarHBondContact O-CB 3.31Å; I628-W632 PolarHBondContact O-N 3.46Å; F629-W632 AromaticContact CD1-CE3 3.86Å; F629-W632 HydrophobicContact CD1-CE3 3.86Å; F629-W632 HydrophobicContact CD1-CZ3 4.31Å; F629-W632 AromaticContact CE1-CE3 3.83Å; F629-W632 HydrophobicContact CE1-CE3 3.83Å; F629-W632 AromaticContact CE1-CZ3 3.87Å; F629-W632 HydrophobicContact CE1-CZ3 3.87Å; F629-W632 PolarHBondContact O-N 3.25Å; S630-W632 VanDerWaalsContact C-N 3.31Å; S630-W632 PolarHBondContact O-N 3.38Å; W632-M635 PolarHBondContact O-N 2.93Å; W632-I636 HydrophobicContact CD2-CD1 3.61Å; W632-I636 VanDerWaalsContact CE2-CD1 3.46Å; W632-I636 HydrophobicContact CE3-CD1 3.82Å; W632-I636 HydrophobicContact CG-CD1 4.27Å; W632-I636 HydrophobicContact CH2-CD1 3.8Å; W632-I636 HydrophobicContact CZ2-CD1 3.58Å; W632-I636 HydrophobicContact CZ3-CD1 3.9Å; W632-I636 VanDerWaalsContact O-CB 3.29Å; W632-I636 WeakPolarHBondContact O-CB 3.44Å; W632-I636 VanDerWaalsContact O-CG1 3.27Å; W632-I636 WeakPolarHBondContact O-CG1 3.42Å; W632-I636 PolarHBondContact O-N 2.86Å |
| 633 | V | 66.6 | Low | 62.6 | Low | 73 Ų | 73 | 98.9 Ų | 98.9 | 44% | 0.442 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.5 | -38.9 | 173.4 | 169 | 0 | 0 | 0 | 0 | 111.5 | F629 S630 I636 L637 | F629-V633 WeakPolarHBondContact O-CB 3.47Å; F629-V633 VanDerWaalsContact O-CG2 3.31Å; F629-V633 WeakPolarHBondContact O-CG2 3.2Å; F629-V633 PolarHBondContact O-N 2.84Å; S630-V633 PolarHBondContact O-N 2.57Å; V633-I636 CarbonylContact O-C 3.56Å; V633-I636 PolarHBondContact O-N 3.06Å; V633-L637 HydrophobicContact CG1-CD1 4.01Å; V633-L637 WeakPolarHBondContact O-CB 3.4Å; V633-L637 WeakPolarHBondContact O-CG 3.29Å; V633-L637 PolarHBondContact O-N 3.31Å |
| 634 | I | 68.6 | Low | 62 | Low | 88 Ų | 88 | 94.4 Ų | 94.4 | 45% | 0.451 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.1 | -45.8 | 172.9 | -69 | 163.9 | 0 | 0 | 0 | 110.3 | S630 L631 I636 L637 M638 | S630-I634 VanDerWaalsContact O-CG1 3.28Å; S630-I634 WeakPolarHBondContact O-CG1 3.44Å; S630-I634 PolarHBondContact O-N 2.8Å; L631-I634 PolarHBondContact O-N 3.03Å; I634-I636 VanDerWaalsContact C-N 3.32Å; I634-I636 PolarHBondContact O-N 2.59Å; I634-L637 PolarHBondContact O-N 3.42Å; I634-L637 VanDerWaalsContact O-N 3.15Å; I634-M638 HydrophobicContact CG2-CG 4.45Å; I634-M638 VanDerWaalsContact O-CG 3.31Å; I634-M638 WeakPolarHBondContact O-CG 3.42Å; I634-M638 PolarHBondContact O-N 3.42Å |
| 635 | M | 60.6 | Low | 61 | Low | 104 Ų | 104 | 95 Ų | 95 | 51% | 0.512 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.2 | -38.8 | 175 | -73.4 | -97.2 | 62.5 | 0 | 0 | 111.8 | L631 W632 H639 | L631-M635 VanDerWaalsContact O-CB 3.31Å; L631-M635 WeakPolarHBondContact O-CB 3.05Å; L631-M635 WeakPolarHBondContact O-CG 3.38Å; L631-M635 PolarHBondContact O-N 3.25Å; W632-M635 PolarHBondContact O-N 2.93Å; M635-H639 VanDerWaalsContact O-CB 3.25Å; M635-H639 WeakPolarHBondContact O-CB 3.14Å; M635-H639 PolarHBondContact O-N 2.87Å |
| 636 | I | 62.3 | Low | 60 | Low | 62 Ų | 62 | 95.1 Ų | 95.1 | 32% | 0.318 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.3 | -32 | 173.6 | -77.2 | 171.9 | 0 | 0 | 0 | 112 | W632 V633 I634 H639 A640 | W632-I636 HydrophobicContact CD2-CD1 3.61Å; W632-I636 VanDerWaalsContact CE2-CD1 3.46Å; W632-I636 HydrophobicContact CE3-CD1 3.82Å; W632-I636 HydrophobicContact CG-CD1 4.27Å; W632-I636 HydrophobicContact CH2-CD1 3.8Å; W632-I636 HydrophobicContact CZ2-CD1 3.58Å; W632-I636 HydrophobicContact CZ3-CD1 3.9Å; W632-I636 VanDerWaalsContact O-CB 3.29Å; W632-I636 WeakPolarHBondContact O-CB 3.44Å; W632-I636 VanDerWaalsContact O-CG1 3.27Å; W632-I636 WeakPolarHBondContact O-CG1 3.42Å; W632-I636 PolarHBondContact O-N 2.86Å; V633-I636 CarbonylContact O-C 3.56Å; V633-I636 PolarHBondContact O-N 3.06Å; I634-I636 VanDerWaalsContact C-N 3.32Å; I634-I636 PolarHBondContact O-N 2.59Å; I636-H639 CarbonylContact O-C 3.6Å; I636-A640 VanDerWaalsContact O-CA 3.31Å; I636-A640 WeakPolarHBondContact O-CA 3.33Å; I636-A640 WeakPolarHBondContact O-CB 3.22Å; I636-A640 PolarHBondContact O-N 3.37Å |
| 637 | L | 57.4 | Low | 59.1 | Low | 109 Ų | 109 | 95.3 Ų | 95.3 | 57% | 0.571 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -72.4 | -45.2 | 175.3 | -80 | 164.1 | 0 | 0 | 0 | 111.5 | V633 I634 A640 | V633-L637 HydrophobicContact CG1-CD1 4.01Å; V633-L637 WeakPolarHBondContact O-CB 3.4Å; V633-L637 WeakPolarHBondContact O-CG 3.29Å; V633-L637 PolarHBondContact O-N 3.31Å; I634-L637 PolarHBondContact O-N 3.42Å; I634-L637 VanDerWaalsContact O-N 3.15Å; L637-A640 PolarHBondContact O-N 2.82Å |
| 638 | M | 56.2 | Low | 58.1 | Low | 126 Ų | 126 | 93.8 Ų | 93.8 | 62% | 0.621 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -58.6 | -55.1 | 172.8 | -67.8 | -65 | -67.6 | 0 | 0 | 110.3 | I634 A640 V641 | I634-M638 HydrophobicContact CG2-CG 4.45Å; I634-M638 VanDerWaalsContact O-CG 3.31Å; I634-M638 WeakPolarHBondContact O-CG 3.42Å; I634-M638 PolarHBondContact O-N 3.42Å; M638-A640 VanDerWaalsContact C-N 3.28Å; M638-A640 PolarHBondContact O-N 2.66Å; M638-V641 PolarHBondContact O-N 3.39Å |
| 639 | H | 52 | Low | 56.9 | Low | 94 Ų | 94 | 93.1 Ų | 93.1 | 44% | 0.435 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -70.7 | -13.5 | 175.7 | -83.8 | -47.9 | 0 | 0 | 0 | 113.9 | M635 I636 V641 D642 I643 | M635-H639 VanDerWaalsContact O-CB 3.25Å; M635-H639 WeakPolarHBondContact O-CB 3.14Å; M635-H639 PolarHBondContact O-N 2.87Å; I636-H639 CarbonylContact O-C 3.6Å; H639-V641 VanDerWaalsContact C-N 3.28Å; H639-V641 PolarHBondContact O-N 3.19Å; H639-D642 IonicContact ND1-OD2 3.11Å; H639-D642 CarbonylContact O-C 3.54Å; H639-D642 PolarHBondContact O-N 3.08Å; H639-I643 HydrophobicContact CB-CD1 3.79Å; H639-I643 HydrophobicContact CB-CG1 4.18Å; H639-I643 WeakPolarHBondContact O-CA 3.44Å; H639-I643 WeakPolarHBondContact O-CB 3.19Å; H639-I643 WeakPolarHBondContact O-CG1 3.23Å; H639-I643 PolarHBondContact O-N 2.97Å |
| 640 | A | 51.4 | Low | 56.1 | Low | 34 Ų | 34 | 91.1 Ų | 91.1 | 28% | 0.281 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68 | -34 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | I636 L637 M638 V644 | I636-A640 VanDerWaalsContact O-CA 3.31Å; I636-A640 WeakPolarHBondContact O-CA 3.33Å; I636-A640 WeakPolarHBondContact O-CB 3.22Å; I636-A640 PolarHBondContact O-N 3.37Å; L637-A640 PolarHBondContact O-N 2.82Å; M638-A640 VanDerWaalsContact C-N 3.28Å; M638-A640 PolarHBondContact O-N 2.66Å; A640-V644 WeakPolarHBondContact O-CB 3.27Å; A640-V644 VanDerWaalsContact O-CG2 3.25Å; A640-V644 WeakPolarHBondContact O-CG2 3.14Å; A640-V644 PolarHBondContact O-N 2.95Å |
| 641 | V | 52.2 | Low | 55.2 | Low | 103 Ų | 103 | 94.3 Ų | 94.3 | 62% | 0.624 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -61.7 | -48.5 | 172.1 | -176 | 0 | 0 | 0 | 0 | 109.7 | M638 H639 Q645 | M638-V641 PolarHBondContact O-N 3.39Å; H639-V641 VanDerWaalsContact C-N 3.28Å; H639-V641 PolarHBondContact O-N 3.19Å; V641-Q645 PolarHBondContact O-N 3.49Å |
| 642 | D | 47.5 | Very low | 54.2 | Low | 92 Ų | 92 | 93.5 Ų | 93.5 | 49% | 0.492 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -72.5 | -31.2 | 178.7 | -63.1 | -34.4 | 0 | 0 | 0 | 113.9 | H639 Q645 L646 | H639-D642 IonicContact ND1-OD2 3.11Å; H639-D642 CarbonylContact O-C 3.54Å; H639-D642 PolarHBondContact O-N 3.08Å; D642-Q645 CarbonylContact O-C 3.6Å; D642-Q645 VanDerWaalsContact O-CB 3.25Å; D642-Q645 WeakPolarHBondContact O-CB 3.34Å; D642-Q645 PolarHBondContact O-N 3.36Å; D642-L646 WeakPolarHBondContact O-CB 3.43Å; D642-L646 PolarHBondContact O-N 3.45Å |
| 643 | I | 52.2 | Low | 53.1 | Low | 66 Ų | 66 | 91.3 Ų | 91.3 | 34% | 0.338 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -85.1 | -28.4 | -176.5 | -71.7 | 174.3 | 0 | 0 | 0 | 110.7 | H639 Q645 L646 F647 | H639-I643 HydrophobicContact CB-CD1 3.79Å; H639-I643 HydrophobicContact CB-CG1 4.18Å; H639-I643 WeakPolarHBondContact O-CA 3.44Å; H639-I643 WeakPolarHBondContact O-CB 3.19Å; H639-I643 WeakPolarHBondContact O-CG1 3.23Å; H639-I643 PolarHBondContact O-N 2.97Å; I643-Q645 VanDerWaalsContact C-N 3.31Å; I643-L646 PolarHBondContact O-N 2.95Å; I643-F647 HydrophobicContact CG2-CD2 3.66Å; I643-F647 HydrophobicContact CG2-CE2 3.97Å; I643-F647 WeakPolarHBondContact O-CB 3.44Å; I643-F647 WeakPolarHBondContact O-CD2 3.41Å; I643-F647 PolarHBondContact O-N 3.45Å |
| 644 | V | 50.7 | Low | 52 | Low | 101 Ų | 101 | 92.5 Ų | 92.5 | 61% | 0.612 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -64 | -42.9 | 162.8 | 169.4 | 0 | 0 | 0 | 0 | 108.9 | A640 L646 F647 F648 | A640-V644 WeakPolarHBondContact O-CB 3.27Å; A640-V644 VanDerWaalsContact O-CG2 3.25Å; A640-V644 WeakPolarHBondContact O-CG2 3.14Å; A640-V644 PolarHBondContact O-N 2.95Å; V644-L646 VanDerWaalsContact C-N 3.33Å; V644-L646 PolarHBondContact O-N 3.01Å; V644-F647 PolarHBondContact O-N 3.21Å; V644-F648 WeakPolarHBondContact O-CB 3.47Å; V644-F648 PolarHBondContact O-N 3.35Å |
| 645 | Q | 48.5 | Very low | 51.1 | Low | 86 Ų | 86 | 90.7 Ų | 90.7 | 40% | 0.402 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.8 | -41.8 | 171.6 | -144.6 | 108.7 | -83.2 | 0 | 0 | 111.9 | V641 D642 I643 F648 N649 | V641-Q645 PolarHBondContact O-N 3.49Å; D642-Q645 CarbonylContact O-C 3.6Å; D642-Q645 VanDerWaalsContact O-CB 3.25Å; D642-Q645 WeakPolarHBondContact O-CB 3.34Å; D642-Q645 PolarHBondContact O-N 3.36Å; I643-Q645 VanDerWaalsContact C-N 3.31Å; Q645-F648 PolarHBondContact O-N 2.82Å; Q645-N649 WeakPolarHBondContact O-CB 3.15Å; Q645-N649 PolarHBondContact O-N 2.97Å; Q645-N649 PolarHBondContact O-ND2 3.04Å |
| 646 | L | 47.9 | Very low | 50.3 | Low | 90 Ų | 90 | 88.3 Ų | 88.3 | 47% | 0.471 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -70.4 | -39.6 | -180 | -161.3 | 80 | 0 | 0 | 0 | 112.2 | D642 I643 V644 N649 I650 | D642-L646 WeakPolarHBondContact O-CB 3.43Å; D642-L646 PolarHBondContact O-N 3.45Å; I643-L646 PolarHBondContact O-N 2.95Å; V644-L646 VanDerWaalsContact C-N 3.33Å; V644-L646 PolarHBondContact O-N 3.01Å; L646-N649 CarbonylContact O-C 3.54Å; L646-N649 PolarHBondContact O-N 2.96Å; L646-I650 HydrophobicContact CD2-CD1 4.05Å; L646-I650 HydrophobicContact CG-CD1 3.89Å; L646-I650 WeakPolarHBondContact O-CB 3.16Å; L646-I650 WeakPolarHBondContact O-CG1 3.07Å; L646-I650 PolarHBondContact O-N 3.26Å |
| 647 | F | 49.7 | Very low | 49.2 | Very low | 132 Ų | 132 | 89.1 Ų | 89.1 | 58% | 0.579 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -72.1 | -32 | 174 | -95 | -92.3 | 0 | 0 | 0 | 111.6 | I643 V644 N649 I650 Y651 | I643-F647 HydrophobicContact CG2-CD2 3.66Å; I643-F647 HydrophobicContact CG2-CE2 3.97Å; I643-F647 WeakPolarHBondContact O-CB 3.44Å; I643-F647 WeakPolarHBondContact O-CD2 3.41Å; I643-F647 PolarHBondContact O-N 3.45Å; V644-F647 PolarHBondContact O-N 3.21Å; F647-N649 VanDerWaalsContact C-N 3.33Å; F647-I650 PolarHBondContact O-N 3.38Å; F647-Y651 WeakPolarHBondContact O-CB 3.31Å; F647-Y651 PolarHBondContact O-N 3.18Å |
| 648 | F | 50.9 | Low | 48.3 | Very low | 104 Ų | 104 | 90.5 Ų | 90.5 | 46% | 0.456 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 168.6 | -137.8 | -90.2 | 0 | 0 | 0 | 110.6 | V644 Q645 L652 | V644-F648 WeakPolarHBondContact O-CB 3.47Å; V644-F648 PolarHBondContact O-N 3.35Å; Q645-F648 PolarHBondContact O-N 2.82Å; F648-L652 HydrophobicContact CD1-CD1 3.98Å; F648-L652 HydrophobicContact CD1-CG 4.47Å; F648-L652 VanDerWaalsContact O-CB 3.29Å; F648-L652 WeakPolarHBondContact O-CB 3.43Å; F648-L652 VanDerWaalsContact O-CG 3.27Å; F648-L652 WeakPolarHBondContact O-CG 3.44Å; F648-L652 PolarHBondContact O-N 3.32Å |
| 649 | N | 46.4 | Very low | 47.3 | Very low | 82 Ų | 82 | 91.8 Ų | 91.8 | 44% | 0.439 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68 | -38 | 174.9 | -72 | -13 | 0 | 0 | 0 | 113 | Q645 L646 F647 L652 Y653 | Q645-N649 WeakPolarHBondContact O-CB 3.15Å; Q645-N649 PolarHBondContact O-N 2.97Å; Q645-N649 PolarHBondContact O-ND2 3.04Å; L646-N649 CarbonylContact O-C 3.54Å; L646-N649 PolarHBondContact O-N 2.96Å; F647-N649 VanDerWaalsContact C-N 3.33Å; N649-L652 PolarHBondContact O-N 3.43Å; N649-Y653 VanDerWaalsContact O-CB 3.27Å; N649-Y653 WeakPolarHBondContact O-CB 3.46Å; N649-Y653 PolarHBondContact O-N 3.41Å |
| 650 | I | 52.9 | Low | 46.3 | Very low | 71 Ų | 71 | 95.3 Ų | 95.3 | 36% | 0.364 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -74.4 | -34.1 | 177 | -71 | 163.9 | 0 | 0 | 0 | 110.9 | L646 F647 Y653 M654 | L646-I650 HydrophobicContact CD2-CD1 4.05Å; L646-I650 HydrophobicContact CG-CD1 3.89Å; L646-I650 WeakPolarHBondContact O-CB 3.16Å; L646-I650 WeakPolarHBondContact O-CG1 3.07Å; L646-I650 PolarHBondContact O-N 3.26Å; F647-I650 PolarHBondContact O-N 3.38Å; I650-Y653 PolarHBondContact O-N 2.92Å; I650-M654 HydrophobicContact CG2-CG 4.4Å; I650-M654 WeakPolarHBondContact O-CB 3.46Å; I650-M654 VanDerWaalsContact O-CG 3.32Å; I650-M654 WeakPolarHBondContact O-CG 3.17Å; I650-M654 PolarHBondContact O-N 2.9Å |
| 651 | Y | 48.7 | Very low | 45.3 | Very low | 126 Ų | 126 | 97.6 Ų | 97.6 | 49% | 0.494 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.6 | -42.7 | 171.1 | -176.7 | -100.9 | 0 | 0 | 0 | 110.7 | F647 Y653 M654 S655 | F647-Y651 WeakPolarHBondContact O-CB 3.31Å; F647-Y651 PolarHBondContact O-N 3.18Å; Y651-Y653 VanDerWaalsContact C-N 3.33Å; Y651-Y653 PolarHBondContact O-N 3.08Å; Y651-M654 PolarHBondContact O-N 2.66Å; Y651-S655 VanDerWaalsContact O-CB 3.27Å; Y651-S655 WeakPolarHBondContact O-CB 3.25Å; Y651-S655 PolarHBondContact O-N 3.08Å; Y651-S655 PolarHBondContact O-OG 3.08Å |
| 652 | L | 47.9 | Very low | 44.2 | Very low | 69 Ų | 69 | 97.9 Ų | 97.9 | 36% | 0.361 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.9 | -41.2 | 169 | -79 | 165.4 | 0 | 0 | 0 | 111.8 | F648 N649 S655 S656 | F648-L652 HydrophobicContact CD1-CD1 3.98Å; F648-L652 HydrophobicContact CD1-CG 4.47Å; F648-L652 VanDerWaalsContact O-CB 3.29Å; F648-L652 WeakPolarHBondContact O-CB 3.43Å; F648-L652 VanDerWaalsContact O-CG 3.27Å; F648-L652 WeakPolarHBondContact O-CG 3.44Å; F648-L652 PolarHBondContact O-N 3.32Å; N649-L652 PolarHBondContact O-N 3.43Å; L652-S655 WeakPolarHBondContact CA-OG 3.35Å; L652-S655 PolarHBondContact O-OG 3.11Å; L652-S656 WeakPolarHBondContact O-CB 3.09Å; L652-S656 PolarHBondContact O-N 2.98Å; L652-S656 PolarHBondContact O-OG 3Å |
| 653 | Y | 44.7 | Very low | 43.2 | Very low | 106 Ų | 106 | 98.5 Ų | 98.5 | 42% | 0.416 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.8 | -48.9 | 177.9 | -162.6 | -98.2 | 0 | 0 | 0 | 111.6 | N649 I650 Y651 S656 L657 | N649-Y653 VanDerWaalsContact O-CB 3.27Å; N649-Y653 WeakPolarHBondContact O-CB 3.46Å; N649-Y653 PolarHBondContact O-N 3.41Å; I650-Y653 PolarHBondContact O-N 2.92Å; Y651-Y653 VanDerWaalsContact C-N 3.33Å; Y651-Y653 PolarHBondContact O-N 3.08Å; Y653-S656 WeakPolarHBondContact CA-OG 3.33Å; Y653-S656 PolarHBondContact O-N 3.49Å; Y653-S656 PolarHBondContact O-OG 2.87Å; Y653-L657 WeakPolarHBondContact O-CB 3.47Å; Y653-L657 PolarHBondContact O-N 2.97Å |
| 654 | M | 43.6 | Very low | 42 | Very low | 98 Ų | 98 | 100 Ų | 100 | 48% | 0.483 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.4 | -37 | 178.2 | -71.3 | -66.2 | -178.8 | 0 | 0 | 112.5 | I650 Y651 L657 L658 | I650-M654 HydrophobicContact CG2-CG 4.4Å; I650-M654 WeakPolarHBondContact O-CB 3.46Å; I650-M654 VanDerWaalsContact O-CG 3.32Å; I650-M654 WeakPolarHBondContact O-CG 3.17Å; I650-M654 PolarHBondContact O-N 2.9Å; Y651-M654 PolarHBondContact O-N 2.66Å; M654-L657 PolarHBondContact O-N 3.32Å; M654-L658 WeakPolarHBondContact O-CB 3.35Å; M654-L658 PolarHBondContact O-N 2.7Å |
| 655 | S | 49.2 | Very low | 40.9 | Very low | 50 Ų | 50 | 102.7 Ų | 102.7 | 35% | 0.35 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -76.4 | -18.7 | 174.5 | 59.3 | 0 | 0 | 0 | 0 | 113.7 | Y651 L652 | Y651-S655 VanDerWaalsContact O-CB 3.27Å; Y651-S655 WeakPolarHBondContact O-CB 3.25Å; Y651-S655 PolarHBondContact O-N 3.08Å; Y651-S655 PolarHBondContact O-OG 3.08Å; L652-S655 WeakPolarHBondContact CA-OG 3.35Å; L652-S655 PolarHBondContact O-OG 3.11Å |
| 656 | S | 44.9 | Very low | 39.8 | Very low | 53 Ų | 53 | 104 Ų | 104 | 37% | 0.371 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -77.6 | -38.1 | 161.4 | 54 | 0 | 0 | 0 | 0 | 112.5 | L652 Y653 L659 | L652-S656 WeakPolarHBondContact O-CB 3.09Å; L652-S656 PolarHBondContact O-N 2.98Å; L652-S656 PolarHBondContact O-OG 3Å; Y653-S656 WeakPolarHBondContact CA-OG 3.33Å; Y653-S656 PolarHBondContact O-N 3.49Å; Y653-S656 PolarHBondContact O-OG 2.87Å; S656-L659 PolarHBondContact O-N 3.21Å |
| 657 | L | 38.2 | Very low | 38.9 | Very low | 79 Ų | 79 | 110.5 Ų | 110.5 | 41% | 0.414 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -71 | -31.5 | -178.4 | -153.1 | 72.7 | 0 | 0 | 0 | 112.5 | Y653 M654 | Y653-L657 WeakPolarHBondContact O-CB 3.47Å; Y653-L657 PolarHBondContact O-N 2.97Å; M654-L657 PolarHBondContact O-N 3.32Å |
| 658 | L | 38.5 | Very low | 37.7 | Very low | 139 Ų | 139 | 110.6 Ų | 110.6 | 73% | 0.728 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -6.3 | 175.7 | -86.4 | 160.9 | 0 | 0 | 0 | 114.7 | M654 | M654-L658 WeakPolarHBondContact O-CB 3.35Å; M654-L658 PolarHBondContact O-N 2.7Å |
| 659 | L | 36.1 | Very low | 36.6 | Very low | 152 Ų | 152 | 112 Ų | 112 | 80% | 0.796 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | 13.7 | 176 | -145.6 | 77.6 | 0 | 0 | 0 | 113 | S656 | S656-L659 PolarHBondContact O-N 3.21Š|
| 660 | Q | 31.1 | Very low | 35.6 | Very low | 168 Ų | 168 | 115 Ų | 115 | 79% | 0.785 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -140 | 32.2 | -175.5 | -149.3 | 164.5 | 5.2 | 0 | 0 | 113.8 | ||
| 661 | S | 29 | Very low | 34.3 | Very low | 82 Ų | 82 | 115.6 Ų | 115.6 | 57% | 0.573 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -149.4 | 48.9 | 172.8 | 71.7 | 0 | 0 | 0 | 0 | 114.5 | T663 | S661-T663 VanDerWaalsContact C-OG1 3.3Š|
| 662 | S | 29.6 | Very low | 33.1 | Very low | 109 Ų | 109 | 114.4 Ų | 114.4 | 76% | 0.762 | 63% | 0.629 | S | S | * | * | trans | -165.2 | 67.1 | 164.8 | 60 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 663 | T | 26.6 | Very low | 32.1 | Very low | 106 Ų | 106 | 121.1 Ų | 121.1 | 65% | 0.65 | 65% | 0.651 | S | S | * | * | cis | 56.6 | 117.7 | 41.8 | 70.9 | 0 | 0 | 0 | 0 | 115 | S661 | S661-T663 VanDerWaalsContact C-OG1 3.3Š| ||
| 664 | S | 26.9 | Very low | 31.1 | Very low | 98 Ų | 98 | 121.3 Ų | 121.3 | 69% | 0.685 | 66% | 0.663 | S | S | * | * | trans | 74.2 | 152.2 | 159 | 95.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 665 | H | 28.7 | Very low | 30.2 | Very low | 156 Ų | 156 | 120.8 Ų | 120.8 | 72% | 0.722 | 67% | 0.669 | S | S | * | * | cis | -144.7 | 141.3 | -0.7 | -86.7 | -69.9 | 0 | 0 | 0 | 112.3 | ||||
| 666 | S | 24.9 | Very low | 29.2 | Very low | 115 Ų | 115 | 124.5 Ų | 124.5 | 80% | 0.804 | 69% | 0.685 | S | S | * | * | trans | -145.8 | 88.2 | 140.2 | 45.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 667 | W | 27.6 | Very low | 28.3 | Very low | 225 Ų | 225 | 128.5 Ų | 128.5 | 85% | 0.852 | 70% | 0.702 | S | S | * | * | 83.7 | 114.6 | 106.7 | -72.8 | 26.4 | 0 | 0 | 0 | 112.4 | |||||
| 668 | F | 25 | Very low | 27.8 | Very low | 135 Ų | 135 | 130.7 Ų | 130.7 | 59% | 0.592 | 72% | 0.715 | S | S | * | * | 87.3 | 88.9 | 60.1 | -112.7 | -75.1 | 0 | 0 | 0 | 115 | R540 | R540-F668 VanDerWaalsContact NH2-CZ 3.33Š| |||
| 669 | T | 28 | Very low | 27.3 | Very low | 132 Ų | 132 | 130.6 Ų | 130.6 | 81% | 0.81 | 71% | 0.71 | S | S | * | * | trans | -171.5 | 149.2 | 152.2 | 31.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 670 | L | 25 | Very low | 26.9 | Very low | 146 Ų | 146 | 131.8 Ų | 131.8 | 76% | 0.764 | 71% | 0.705 | S | S | * | * | cis | -152.1 | 158 | -26.9 | -160.1 | 70.9 | 0 | 0 | 0 | 109.4 | ||||
| 671 | S | 25.5 | Very low | 26.8 | Very low | 84 Ų | 84 | 129.2 Ų | 129.2 | 59% | 0.587 | 70% | 0.697 | S | S | * | * | trans | 41.5 | 133.9 | 148.7 | 56.9 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 672 | S | 25.1 | Very low | 26.6 | Very low | 101 Ų | 101 | 130.9 Ų | 130.9 | 71% | 0.706 | 70% | 0.704 | S | S | * | * | trans | 72.1 | 149.5 | 134.1 | 68.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 673 | Y | 25.1 | Very low | 26.5 | Very low | 209 Ų | 209 | 132.3 Ų | 132.3 | 82% | 0.82 | 70% | 0.702 | S | S | * | * | cis | -150.9 | 177.5 | -6.5 | -134.4 | -144.7 | 0 | 0 | 0 | 111.4 | ||||
| 674 | T | 24.8 | Very low | 26.4 | Very low | 110 Ų | 110 | 132.7 Ų | 132.7 | 68% | 0.675 | 70% | 0.704 | S | S | * | * | trans | -26.6 | 164.8 | 152.7 | 55.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 675 | S | 24.8 | Very low | 26.3 | Very low | 87 Ų | 87 | 133.3 Ų | 133.3 | 61% | 0.608 | 70% | 0.704 | S | S | * | * | cis | -175.8 | -175.8 | -9.6 | 179.3 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 676 | D | 28.2 | Very low | 26.2 | Very low | 128 Ų | 128 | 131.1 Ų | 131.1 | 68% | 0.684 | 70% | 0.702 | S | S | * | * | trans | 74.1 | 118.8 | 161.2 | -48.6 | -25.9 | 0 | 0 | 0 | 114.2 | ||||
| 677 | N | 25.2 | Very low | 26.3 | Very low | 137 Ų | 137 | 131.8 Ų | 131.8 | 73% | 0.733 | 70% | 0.701 | S | S | * | * | 85.2 | 153.7 | 54.3 | -70.1 | -34.6 | 0 | 0 | 0 | 113.1 | |||||
| 678 | D | 27.6 | Very low | 26.2 | Very low | 126 Ų | 126 | 126.2 Ų | 126.2 | 67% | 0.674 | 69% | 0.692 | S | S | * | * | trans | 64.6 | 104.3 | 170.4 | -57 | -15.1 | 0 | 0 | 0 | 115.6 | ||||
| 679 | H | 28.2 | Very low | 26.2 | Very low | 136 Ų | 136 | 126.4 Ų | 126.4 | 63% | 0.63 | 70% | 0.699 | S | S | * | * | 107.6 | 153.2 | 90.9 | -84.7 | -14.1 | 0 | 0 | 0 | 109.6 | |||||
| 680 | Y | 29.1 | Very low | 26.1 | Very low | 177 Ų | 177 | 125.3 Ų | 125.3 | 69% | 0.694 | 70% | 0.696 | S | S | * | * | cis | -138.3 | 148.2 | 7 | -109.3 | -70.5 | 0 | 0 | 0 | 110.9 | ||||
| 681 | N | 28 | Very low | 26.2 | Very low | 114 Ų | 114 | 122.5 Ų | 122.5 | 61% | 0.61 | 69% | 0.689 | S | S | * | * | trans | 25.3 | 130 | 139.4 | -67.2 | 5.1 | 0 | 0 | 0 | 120.9 | ||||
| 682 | T | 24.6 | Very low | 26.3 | Very low | 118 Ų | 118 | 124.5 Ų | 124.5 | 72% | 0.724 | 69% | 0.693 | S | S | * | * | 64.5 | 163.1 | 66 | 71.9 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 683 | I | 27.6 | Very low | 26.7 | Very low | 139 Ų | 139 | 128.1 Ų | 128.1 | 71% | 0.713 | 70% | 0.701 | S | S | * | * | trans | 78.6 | 93.8 | -173 | -50.7 | 171.6 | 0 | 0 | 0 | 111.8 | ||||
| 684 | T | 25 | Very low | 26.7 | Very low | 114 Ų | 114 | 125.2 Ų | 125.2 | 70% | 0.699 | 70% | 0.7 | S | S | * | * | 80.6 | 151.1 | 58.6 | 72.3 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 685 | T | 25.3 | Very low | 27 | Very low | 110 Ų | 110 | 123.2 Ų | 123.2 | 68% | 0.675 | 70% | 0.701 | S | S | * | * | trans | 73.2 | 111 | 149.2 | 39.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 686 | T | 25.8 | Very low | 27.2 | Very low | 111 Ų | 111 | 126.7 Ų | 126.7 | 68% | 0.681 | 71% | 0.707 | S | S | * | * | 70.3 | 128.4 | 126.3 | 59 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 687 | T | 26.4 | Very low | 27.4 | Very low | 128 Ų | 128 | 128.4 Ų | 128.4 | 79% | 0.785 | 71% | 0.711 | S | S | * | * | trans | 68.7 | 156 | 134.6 | 60.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 688 | V | 26.7 | Very low | 27.5 | Very low | 109 Ų | 109 | 128.9 Ų | 128.9 | 66% | 0.661 | 71% | 0.712 | S | S | * | * | cis | -158.2 | 148 | -10.6 | 117.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 689 | N | 24.2 | Very low | 27.7 | Very low | 138 Ų | 138 | 127.7 Ų | 127.7 | 74% | 0.738 | 71% | 0.711 | S | S | * | * | trans | 36.1 | 162.6 | 156.2 | -55 | -7.6 | 0 | 0 | 0 | 123.6 | ||||
| 690 | S | 26.4 | Very low | 27.5 | Very low | 109 Ų | 109 | 128.7 Ų | 128.7 | 76% | 0.762 | 72% | 0.72 | S | S | * | * | trans | 73 | 144 | 144 | 40 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 691 | S | 27.7 | Very low | 27.3 | Very low | 88 Ų | 88 | 125.2 Ų | 125.2 | 62% | 0.615 | 72% | 0.722 | S | S | * | * | cis | -169.4 | 173.1 | -18 | 50.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 692 | D | 27.5 | Very low | 27.1 | Very low | 126 Ų | 126 | 126.4 Ų | 126.4 | 67% | 0.674 | 73% | 0.733 | S | S | * | * | trans | 74.6 | 175.6 | 151.6 | -55.3 | -44.8 | 0 | 0 | 0 | 120.7 | ||||
| 693 | M | 31.6 | Very low | 27.1 | Very low | 176 Ų | 176 | 124.7 Ų | 124.7 | 87% | 0.867 | 73% | 0.726 | S | S | * | * | trans | 83.4 | 48.1 | -177.7 | -52.3 | -53.2 | 173.2 | 0 | 0 | 118.3 | ||||
| 694 | N | 26.8 | Very low | 27.1 | Very low | 148 Ų | 148 | 126.7 Ų | 126.7 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | 3.8 | 134.2 | 127.6 | -58.4 | -35.2 | 0 | 0 | 0 | 119.1 | |||||
| 695 | G | 30.8 | Very low | 27.1 | Very low | 68 Ų | 68 | 128.9 Ų | 128.9 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | trans | 173.3 | 83.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 696 | H | 29.2 | Very low | 27.3 | Very low | 160 Ų | 160 | 128.4 Ų | 128.4 | 74% | 0.741 | 74% | 0.737 | S | S | * | * | 68.2 | 139.9 | 86.9 | -85.6 | -79.7 | 0 | 0 | 0 | 115.9 | |||||
| 697 | H | 31.2 | Very low | 27.3 | Very low | 165 Ų | 165 | 130.1 Ų | 130.1 | 76% | 0.764 | 74% | 0.742 | S | S | * | * | trans | 72.7 | 152.3 | 172.4 | -52 | -63.1 | 0 | 0 | 0 | 115.7 | ||||
| 698 | I | 28.8 | Very low | 27.3 | Very low | 147 Ų | 147 | 131.1 Ų | 131.1 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | cis | -164.4 | 163.6 | -33.7 | -119 | 166.8 | 0 | 0 | 0 | 106.2 | ||||
| 699 | P | 31.6 | Very low | 27.5 | Very low | 101 Ų | 101 | 132.1 Ų | 132.1 | 66% | 0.656 | 74% | 0.741 | S | S | * | * | trans | -94.6 | -174.3 | -162.7 | 37.7 | -38.5 | 0 | 0 | 0 | 116.3 | ||||
| 700 | L | 22.8 | Very low | 27.9 | Very low | 156 Ų | 156 | 129.9 Ų | 129.9 | 82% | 0.817 | 74% | 0.736 | S | S | * | * | trans | 97.3 | 151.2 | 166.8 | -62.9 | 135.4 | 0 | 0 | 0 | 118.6 | ||||
| 701 | S | 24.9 | Very low | 28.2 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | trans | 73.3 | 135.5 | 164.4 | 2.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 702 | V | 23.9 | Very low | 28.3 | Very low | 138 Ų | 138 | 131.2 Ų | 131.2 | 84% | 0.836 | 74% | 0.74 | S | S | * | * | 68.5 | 125.8 | 53.4 | 177.8 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 703 | S | 25.9 | Very low | 28.3 | Very low | 82 Ų | 82 | 134.2 Ų | 134.2 | 57% | 0.573 | 75% | 0.748 | S | S | * | * | cis | -159.9 | 174.3 | 23.7 | 38 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 704 | Q | 27.5 | Very low | 28.1 | Very low | 181 Ų | 181 | 130.2 Ų | 130.2 | 85% | 0.846 | 74% | 0.737 | S | S | * | * | trans | 81.9 | 134.6 | 140.1 | -83.8 | 150.1 | -34.8 | 0 | 0 | 123.6 | ||||
| 705 | L | 23.3 | Very low | 28.2 | Very low | 160 Ų | 160 | 128.3 Ų | 128.3 | 84% | 0.838 | 74% | 0.735 | S | S | * | * | trans | -61.3 | 173.6 | 155.9 | -112.5 | 81.2 | 0 | 0 | 0 | 111.6 | ||||
| 706 | P | 29.6 | Very low | 27.9 | Very low | 100 Ų | 100 | 132.8 Ų | 132.8 | 65% | 0.649 | 74% | 0.742 | S | S | * | * | cis | -156.5 | -170.6 | 43.6 | 46.4 | -25.4 | 0 | 0 | 0 | 118.5 | ||||
| 707 | L | 26 | Very low | 27.9 | Very low | 148 Ų | 148 | 129.7 Ų | 129.7 | 78% | 0.775 | 74% | 0.738 | S | S | * | * | trans | 62.8 | 159.1 | 161 | -93.1 | 75.8 | 0 | 0 | 0 | 116.5 | ||||
| 708 | M | 27.9 | Very low | 27.6 | Very low | 149 Ų | 149 | 129.1 Ų | 129.1 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | cis | -163.6 | 160 | -28.9 | -128.6 | -176.8 | -175.7 | 0 | 0 | 105.8 | ||||
| 709 | N | 30.2 | Very low | 27.6 | Very low | 129 Ų | 129 | 128.7 Ų | 128.7 | 69% | 0.69 | 74% | 0.744 | S | S | * | * | cis | -139.4 | -152.2 | -7 | -151 | -5.5 | 0 | 0 | 0 | 104.8 | ||||
| 710 | S | 32.8 | Very low | 27.2 | Very low | 92 Ų | 92 | 130.8 Ų | 130.8 | 64% | 0.643 | 75% | 0.75 | S | S | * | * | cis | -172.2 | 152.2 | -12 | 29.9 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 711 | S | 32.5 | Very low | 27.4 | Very low | 108 Ų | 108 | 128.4 Ų | 128.4 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | cis | -175 | 164.1 | -11.9 | 52.2 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 712 | V | 28.9 | Very low | 27.4 | Very low | 117 Ų | 117 | 128.2 Ų | 128.2 | 71% | 0.709 | 75% | 0.745 | S | S | * | * | cis | -159 | 160.9 | 14.7 | 83.1 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 713 | F | 27.5 | Very low | 27.5 | Very low | 189 Ų | 189 | 128.9 Ų | 128.9 | 83% | 0.829 | 74% | 0.742 | S | S | * | * | cis | -152 | -143.7 | 18 | -141.7 | -28.1 | 0 | 0 | 0 | 112 | ||||
| 714 | S | 28.9 | Very low | 27.4 | Very low | 91 Ų | 91 | 132.9 Ų | 132.9 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | trans | -60.6 | 162.5 | 172.6 | 47.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 715 | S | 28.8 | Very low | 27.3 | Very low | 108 Ų | 108 | 129.1 Ų | 129.1 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | cis | 176.3 | 169.6 | -11.4 | 59.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 716 | L | 24.9 | Very low | 27.3 | Very low | 163 Ų | 163 | 128.3 Ų | 128.3 | 85% | 0.853 | 74% | 0.742 | S | S | * | * | cis | -157.3 | 178.1 | -8.3 | -127 | 171.2 | 0 | 0 | 0 | 107.4 | ||||
| 717 | S | 27.7 | Very low | 27.1 | Very low | 94 Ų | 94 | 128.6 Ų | 128.6 | 66% | 0.657 | 75% | 0.747 | S | S | * | * | trans | -163.4 | -173.2 | 172.3 | 63.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 718 | L | 26.1 | Very low | 27.1 | Very low | 154 Ų | 154 | 129.7 Ų | 129.7 | 81% | 0.806 | 75% | 0.747 | S | S | * | * | trans | 78.6 | 147.4 | -176.8 | -60.9 | 119.7 | 0 | 0 | 0 | 114 | ||||
| 719 | V | 27.3 | Very low | 27 | Very low | 137 Ų | 137 | 130.4 Ų | 130.4 | 83% | 0.83 | 75% | 0.749 | S | S | * | * | cis | -143.1 | 156.9 | 46.4 | 162.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 720 | N | 24.8 | Very low | 26.8 | Very low | 145 Ų | 145 | 129.6 Ų | 129.6 | 78% | 0.775 | 75% | 0.745 | S | S | * | * | trans | -88.6 | 147.4 | 171.2 | -82.6 | -31.3 | 0 | 0 | 0 | 112.8 | ||||
| 721 | S | 26.7 | Very low | 26.5 | Very low | 106 Ų | 106 | 133.2 Ų | 133.2 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | 166.1 | 132.5 | 116.1 | 50.9 | 0 | 0 | 0 | 0 | 116 | |||||
| 722 | S | 24.4 | Very low | 26.1 | Very low | 102 Ų | 102 | 135.8 Ų | 135.8 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | trans | 56.6 | 163.4 | 142.4 | 62.5 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 723 | I | 25.7 | Very low | 26 | Very low | 152 Ų | 152 | 134.5 Ų | 134.5 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | trans | 72.5 | 117.8 | 173.8 | -50.8 | 173.9 | 0 | 0 | 0 | 111.9 | ||||
| 724 | Q | 23.9 | Very low | 26 | Very low | 166 Ų | 166 | 133.3 Ų | 133.3 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | cis | 128.1 | 144.8 | 14.2 | 167.7 | 177.9 | -12.9 | 0 | 0 | 106.6 | ||||
| 725 | S | 25.2 | Very low | 26.2 | Very low | 101 Ų | 101 | 136.1 Ų | 136.1 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | trans | 59.8 | 155.7 | -178 | 40 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 726 | D | 23.7 | Very low | 25.9 | Very low | 144 Ų | 144 | 140 Ų | 140 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | cis | 167.1 | 148.5 | -29.8 | -104.4 | -51.7 | 0 | 0 | 0 | 105.2 | ||||
| 727 | S | 24.8 | Very low | 26 | Very low | 106 Ų | 106 | 139 Ų | 139 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | trans | 71.4 | 158.4 | 157.2 | 80.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 728 | Q | 26.4 | Very low | 26 | Very low | 170 Ų | 170 | 141.5 Ų | 141.5 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | 65.6 | 109.5 | 169.9 | -57.6 | -174.5 | -30.8 | 0 | 0 | 115.8 | ||||
| 729 | E | 25.3 | Very low | 25.9 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 77% | 0.771 | 76% | 0.756 | S | S | * | * | 72.9 | 143 | 54.4 | -65.2 | -158.2 | 161.2 | 0 | 0 | 115.9 | |||||
| 730 | N | 26 | Very low | 25.7 | Very low | 112 Ų | 112 | 138.9 Ų | 138.9 | 60% | 0.599 | 75% | 0.754 | S | S | * | * | trans | 67.3 | 91.3 | 156.9 | -57.2 | -42.9 | 0 | 0 | 0 | 119.4 | F732 | N730-F732 HydrophobicContact CB-CD2 4.38Å; N730-F732 HydrophobicContact CB-CE2 4.49Å | ||
| 731 | L | 26.4 | Very low | 25.8 | Very low | 167 Ų | 167 | 137.4 Ų | 137.4 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | trans | -152.2 | 88.4 | 131.2 | -105.4 | 162.2 | 0 | 0 | 0 | 107.5 | ||||
| 732 | F | 25.7 | Very low | 25.7 | Very low | 163 Ų | 163 | 139.2 Ų | 139.2 | 72% | 0.715 | 75% | 0.751 | S | S | * | * | 45.9 | 93.3 | 93.7 | -80.8 | -99.5 | 0 | 0 | 0 | 112.1 | N730 | N730-F732 HydrophobicContact CB-CD2 4.38Å; N730-F732 HydrophobicContact CB-CE2 4.49Å | |||
| 733 | S | 25 | Very low | 25.8 | Very low | 90 Ų | 90 | 143.3 Ų | 143.3 | 63% | 0.629 | 76% | 0.759 | S | S | * | * | 88.8 | 108.2 | 75.5 | 68.6 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 734 | I | 29.5 | Very low | 25.8 | Very low | 164 Ų | 164 | 143.9 Ų | 143.9 | 84% | 0.841 | 76% | 0.758 | S | S | * | * | trans | 179.9 | 129.2 | 160.9 | -98.6 | 146.4 | 0 | 0 | 0 | 105 | ||||
| 735 | I | 31.5 | Very low | 25.9 | Very low | 150 Ų | 150 | 142.3 Ų | 142.3 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | cis | -132.7 | 152.5 | -13 | -93.1 | 161.9 | 0 | 0 | 0 | 107.7 | ||||
| 736 | K | 23.5 | Very low | 25.9 | Very low | 189 Ų | 189 | 142.2 Ų | 142.2 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | trans | -125.3 | 167.7 | 166.5 | -140.3 | -179 | -173.4 | -178 | 0 | 108.4 | ||||
| 737 | N | 26.3 | Very low | 26 | Very low | 142 Ų | 142 | 143.8 Ų | 143.8 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | trans | 79.6 | 150.7 | -165.2 | -41.7 | -24 | 0 | 0 | 0 | 110.4 | ||||
| 738 | V | 27.5 | Very low | 26.1 | Very low | 146 Ų | 146 | 141.7 Ų | 141.7 | 89% | 0.885 | 76% | 0.757 | S | S | * | * | cis | -113.6 | 172 | 21.3 | 177.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 739 | S | 23.3 | Very low | 26 | Very low | 84 Ų | 84 | 141.9 Ų | 141.9 | 59% | 0.587 | 76% | 0.757 | S | S | * | * | trans | -157.3 | 151.2 | -165.7 | 62.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 740 | I | 23.9 | Very low | 26.3 | Very low | 152 Ų | 152 | 141 Ų | 141 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | trans | 80.3 | 155.6 | 162.8 | -41.2 | 156.8 | 0 | 0 | 0 | 116.5 | ||||
| 741 | V | 26.7 | Very low | 26.1 | Very low | 115 Ų | 115 | 142.2 Ų | 142.2 | 70% | 0.697 | 76% | 0.759 | S | S | * | * | trans | 98.3 | 87.3 | 162.3 | -164.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 742 | D | 24.1 | Very low | 26 | Very low | 144 Ų | 144 | 142.7 Ų | 142.7 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | 36.5 | 157.8 | 115.7 | -51.6 | -44.5 | 0 | 0 | 0 | 123.9 | |||||
| 743 | Q | 27.6 | Very low | 26 | Very low | 187 Ų | 187 | 140.7 Ų | 140.7 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | trans | 104.4 | 121.7 | 158.8 | -57.6 | -156.9 | -77.1 | 0 | 0 | 119.3 | ||||
| 744 | E | 24.5 | Very low | 26 | Very low | 164 Ų | 164 | 141.1 Ų | 141.1 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | trans | -63 | 172.6 | 179.5 | -53.3 | 167.9 | 135 | 0 | 0 | 115.6 | ||||
| 745 | N | 26.1 | Very low | 25.8 | Very low | 134 Ų | 134 | 140.2 Ų | 140.2 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | trans | 100.8 | 115 | 147.5 | -62.8 | -50.5 | 0 | 0 | 0 | 120.2 | ||||
| 746 | S | 26.4 | Very low | 25.5 | Very low | 99 Ų | 99 | 138.5 Ų | 138.5 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | 89.7 | 117.6 | 125.5 | 67.2 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 747 | I | 25.9 | Very low | 25.7 | Very low | 177 Ų | 177 | 136.5 Ų | 136.5 | 91% | 0.908 | 74% | 0.739 | S | S | * | * | 64.7 | 128.1 | 129.1 | -57 | 167.2 | 0 | 0 | 0 | 118.8 | |||||
| 748 | G | 26.3 | Very low | 25.9 | Very low | 62 Ų | 62 | 137 Ų | 137 | 64% | 0.639 | 74% | 0.737 | S | S | * | * | trans | 129.8 | 84 | 137.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 749 | E | 25.5 | Very low | 25.8 | Very low | 173 Ų | 173 | 137.2 Ų | 137.2 | 81% | 0.808 | 73% | 0.728 | S | S | * | * | trans | 46.9 | 148.4 | 131.5 | -61 | -175.8 | 146.4 | 0 | 0 | 125 | ||||
| 750 | H | 29.7 | Very low | 26.1 | Very low | 147 Ų | 147 | 139.7 Ų | 139.7 | 68% | 0.681 | 73% | 0.734 | S | S | * | * | trans | 84.2 | 104.5 | 143.6 | -74.1 | -41.8 | 0 | 0 | 0 | 124.3 | ||||
| 751 | L | 23.4 | Very low | 26.3 | Very low | 137 Ų | 137 | 139.8 Ų | 139.8 | 72% | 0.717 | 74% | 0.736 | S | S | * | * | 84.5 | 109.1 | 117.9 | -72.9 | 169.9 | 0 | 0 | 0 | 124.1 | |||||
| 752 | K | 23.7 | Very low | 26.8 | Very low | 178 Ų | 178 | 139.4 Ų | 139.4 | 77% | 0.774 | 74% | 0.736 | S | S | * | * | 72.9 | 135.6 | 122.3 | -94.3 | -166.4 | 174.5 | -177 | 0 | 123.8 | |||||
| 753 | V | 25 | Very low | 27.3 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | trans | 77.1 | 144.5 | 141.3 | 173.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 754 | S | 25.1 | Very low | 27.5 | Very low | 98 Ų | 98 | 138 Ų | 138 | 69% | 0.685 | 73% | 0.728 | S | S | * | * | cis | -156.5 | 150.6 | 20.6 | 17.5 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 755 | L | 25.9 | Very low | 27.7 | Very low | 145 Ų | 145 | 136.7 Ų | 136.7 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | trans | 52.4 | 122 | 137 | -81 | 78.2 | 0 | 0 | 0 | 125.3 | ||||
| 756 | N | 25.2 | Very low | 27.8 | Very low | 114 Ų | 114 | 137.4 Ų | 137.4 | 61% | 0.61 | 73% | 0.725 | S | S | * | * | 80.9 | 116.6 | 115.3 | -66.4 | 21.9 | 0 | 0 | 0 | 126.5 | |||||
| 757 | Q | 28 | Very low | 27.7 | Very low | 147 Ų | 147 | 141.8 Ų | 141.8 | 69% | 0.687 | 73% | 0.732 | S | S | * | * | 91.3 | 146.7 | 115.8 | -72.6 | 178.9 | -72.4 | 0 | 0 | 124.8 | |||||
| 758 | H | 29.5 | Very low | 27.7 | Very low | 152 Ų | 152 | 140.5 Ų | 140.5 | 70% | 0.704 | 73% | 0.726 | S | S | * | * | trans | 74 | 157 | 163.9 | -63.9 | -74.4 | 0 | 0 | 0 | 121.6 | ||||
| 759 | E | 26.5 | Very low | 27.6 | Very low | 152 Ų | 152 | 146.6 Ų | 146.6 | 71% | 0.71 | 74% | 0.738 | S | S | * | * | cis | -178.9 | 172.2 | -46.1 | -158.8 | 161.8 | -153 | 0 | 0 | 109.6 | ||||
| 760 | I | 28.8 | Very low | 27.4 | Very low | 136 Ų | 136 | 146.5 Ų | 146.5 | 70% | 0.697 | 74% | 0.738 | S | S | * | * | trans | 79.9 | 93.6 | 159.8 | -50.2 | -179 | 0 | 0 | 0 | 119.8 | ||||
| 761 | D | 27.7 | Very low | 27.2 | Very low | 153 Ų | 153 | 150.6 Ų | 150.6 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | 66.4 | 158 | 122 | -60.9 | -16.5 | 0 | 0 | 0 | 126.4 | |||||
| 762 | P | 37.4 | Very low | 27.1 | Very low | 108 Ų | 108 | 152 Ų | 152 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | trans | -125.8 | -175.2 | -160.8 | 44.9 | -30.1 | 0 | 0 | 0 | 115.7 | ||||
| 763 | H | 34.3 | Very low | 27.2 | Very low | 172 Ų | 172 | 150.7 Ų | 150.7 | 80% | 0.796 | 76% | 0.756 | S | S | * | * | trans | -160.8 | 146.6 | 158.6 | -104.7 | -78.1 | 0 | 0 | 0 | 114.9 | ||||
| 764 | D | 33.3 | Very low | 27.1 | Very low | 128 Ų | 128 | 150.6 Ų | 150.6 | 68% | 0.684 | 76% | 0.76 | S | S | * | * | trans | 65.7 | 97 | 144.6 | -54 | -11.8 | 0 | 0 | 0 | 125.4 | ||||
| 765 | D | 27.8 | Very low | 27 | Very low | 138 Ų | 138 | 151.1 Ų | 151.1 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | 81.4 | 140.2 | 109.6 | -86.7 | -1.7 | 0 | 0 | 0 | 128.8 | |||||
| 766 | H | 27.6 | Very low | 26.9 | Very low | 148 Ų | 148 | 151.7 Ų | 151.7 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | trans | 64 | 102.6 | 147.8 | -82.1 | -64.7 | 0 | 0 | 0 | 123.4 | ||||
| 767 | F | 26.1 | Very low | 26.9 | Very low | 191 Ų | 191 | 154.8 Ų | 154.8 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | -175.5 | 168.7 | 97.1 | -116 | -88.2 | 0 | 0 | 0 | 113.7 | |||||
| 768 | L | 24 | Very low | 26.7 | Very low | 150 Ų | 150 | 154 Ų | 154 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | -84.7 | 148.4 | -175.6 | -55.7 | 85.8 | 0 | 0 | 0 | 114 | ||||
| 769 | Q | 25 | Very low | 26.6 | Very low | 190 Ų | 190 | 152.5 Ų | 152.5 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | -169.7 | 161.7 | 113.3 | -159.9 | 154.9 | 19.2 | 0 | 0 | 111.8 | |||||
| 770 | E | 22.4 | Very low | 26.5 | Very low | 172 Ų | 172 | 148.8 Ų | 148.8 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -68.4 | 137.9 | -179.2 | -56.7 | 166.5 | 110.3 | 0 | 0 | 114.3 | ||||
| 771 | R | 23.7 | Very low | 26.6 | Very low | 232 Ų | 232 | 148.5 Ų | 148.5 | 88% | 0.875 | 78% | 0.775 | S | S | * | * | trans | -175.5 | 157.6 | 135 | -102.1 | 154.2 | -163.8 | -175.9 | 6.1 | 112.6 | I773 | R771-I773 PolarHBondContact O-N 3.26Š| ||
| 772 | D | 22.7 | Very low | 26.6 | Very low | 167 Ų | 167 | 148.6 Ų | 148.6 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | trans | -61.7 | 125.4 | 178.9 | -54.6 | -90.4 | 0 | 0 | 0 | 112.3 | ||||
| 773 | I | 24.7 | Very low | 26.2 | Very low | 151 Ų | 151 | 149.1 Ų | 149.1 | 77% | 0.774 | 77% | 0.772 | S | S | * | * | trans | -118.3 | 115.1 | 172.2 | -63.7 | -179.9 | 0 | 0 | 0 | 109.6 | R771 | R771-I773 PolarHBondContact O-N 3.26Š| ||
| 774 | S | 22.7 | Very low | 26.1 | Very low | 118 Ų | 118 | 148.5 Ų | 148.5 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | trans | -66.1 | 125.6 | 167.9 | 51.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 775 | V | 24.6 | Very low | 26.1 | Very low | 110 Ų | 110 | 150.4 Ų | 150.4 | 67% | 0.667 | 78% | 0.783 | S | S | * | * | trans | -107 | 112.4 | 168.7 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | F777 | V775-F777 HydrophobicContact CG1-CD2 4.43Å; V775-F777 HydrophobicContact CG1-CE2 3.9Å; V775-F777 HydrophobicContact CG1-CZ 4.31Å | ||
| 776 | Q | 22.8 | Very low | 26.1 | Very low | 156 Ų | 156 | 152 Ų | 152 | 73% | 0.729 | 78% | 0.783 | S | S | * | * | trans | -80.9 | 138.4 | 178.2 | -174.4 | 166.9 | -47.4 | 0 | 0 | 109.6 | D778 | Q776-D778 PolarHBondContact NE2-OD2 2.84Š| ||
| 777 | F | 26.2 | Very low | 26.2 | Very low | 179 Ų | 179 | 149.7 Ų | 149.7 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -118.8 | 80.4 | 174.5 | -81.3 | -83.5 | 0 | 0 | 0 | 109.4 | V775 | V775-F777 HydrophobicContact CG1-CD2 4.43Å; V775-F777 HydrophobicContact CG1-CE2 3.9Å; V775-F777 HydrophobicContact CG1-CZ 4.31Å | ||
| 778 | D | 22.7 | Very low | 26.3 | Very low | 130 Ų | 130 | 149.4 Ų | 149.4 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | trans | -70.3 | 128.3 | 161.4 | -70.6 | -63.4 | 0 | 0 | 0 | 108.9 | Q776 | Q776-D778 PolarHBondContact NE2-OD2 2.84Š| ||
| 779 | V | 27.9 | Very low | 26.6 | Very low | 122 Ų | 122 | 149.7 Ų | 149.7 | 74% | 0.739 | 79% | 0.786 | S | S | * | * | trans | -125.7 | 99.7 | 170.9 | 179.6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 780 | G | 23.7 | Very low | 26.6 | Very low | 74 Ų | 74 | 148.2 Ų | 148.2 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | trans | -64.7 | 151.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 781 | V | 30.6 | Very low | 26.9 | Very low | 129 Ų | 129 | 145.3 Ų | 145.3 | 78% | 0.782 | 78% | 0.779 | S | S | * | * | trans | -136.8 | 125.1 | 175 | -179.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 782 | D | 29.3 | Very low | 26.9 | Very low | 156 Ų | 156 | 140 Ų | 140 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | trans | -67.1 | 152 | -172.6 | -58.3 | -70.4 | 0 | 0 | 0 | 113.6 | ||||
| 783 | D | 28.1 | Very low | 27.2 | Very low | 118 Ų | 118 | 139.7 Ų | 139.7 | 63% | 0.631 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -91.7 | 3 | -161 | -117.4 | -34.2 | 0 | 0 | 0 | 115.5 | I785 K786 | D783-I785 PolarHBondContact O-N 3.08Å; D783-K786 IonicContact OD1-NZ 3.36Å; D783-K786 PolarHBondContact OD1-NZ 3.49Å |
| 784 | D | 32.2 | Very low | 27.5 | Very low | 159 Ų | 159 | 139.5 Ų | 139.5 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | trans | -82.4 | -7.6 | -164 | -86.9 | -28 | 0 | 0 | 0 | 116.9 | ||||
| 785 | I | 34 | Very low | 27.8 | Very low | 169 Ų | 169 | 140.4 Ų | 140.4 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | trans | -113.2 | 68.6 | -177.7 | -46.4 | -177.2 | 0 | 0 | 0 | 111.3 | D783 | D783-I785 PolarHBondContact O-N 3.08Š| ||
| 786 | K | 27.1 | Very low | 28 | Very low | 170 Ų | 170 | 141 Ų | 141 | 74% | 0.739 | 77% | 0.767 | S | S | * | * | trans | -133.4 | 16.1 | -175.3 | -122.9 | 174.8 | -147.5 | 149.1 | 0 | 116 | D783 | D783-K786 IonicContact OD1-NZ 3.36Å; D783-K786 PolarHBondContact OD1-NZ 3.49Å | ||
| 787 | S | 29.5 | Very low | 28.3 | Very low | 101 Ų | 101 | 142 Ų | 142 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -132.4 | 146.2 | 170.5 | 75.5 | 0 | 0 | 0 | 0 | 111.6 | ||
| 788 | Q | 27.7 | Very low | 28.3 | Very low | 185 Ų | 185 | 140.5 Ų | 140.5 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 77 | 159.2 | -171 | -46.6 | -175.2 | 21.8 | 0 | 0 | 115.4 | ||
| 789 | I | 30.6 | Very low | 28.4 | Very low | 155 Ų | 155 | 143.5 Ų | 143.5 | 80% | 0.795 | 78% | 0.78 | S | S | * | * | trans | 67.6 | 97.4 | -171.6 | -49.3 | -179.4 | 0 | 0 | 0 | 115.2 | ||||
| 790 | N | 25.1 | Very low | 28.4 | Very low | 160 Ų | 160 | 143.9 Ų | 143.9 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | trans | -80.4 | 114.6 | 169 | -69.8 | -53.7 | 0 | 0 | 0 | 111.8 | ||||
| 791 | T | 28.4 | Very low | 28.4 | Very low | 111 Ų | 111 | 146.2 Ų | 146.2 | 68% | 0.681 | 77% | 0.773 | S | S | * | * | trans | -154 | 80.4 | 161.1 | 35.9 | 0 | 0 | 0 | 0 | 113.7 | N793 | T791-N793 PolarHBondContact O-N 3.27Å; T791-N793 VanDerWaalsContact O-N 3.14Å | ||
| 792 | P | 25.1 | Very low | 28.3 | Very low | 121 Ų | 121 | 148.3 Ų | 148.3 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | 93.9 | 174.9 | 32 | -32.9 | 0 | 0 | 0 | 111.4 | ||
| 793 | N | 28 | Very low | 28.1 | Very low | 159 Ų | 159 | 147.5 Ų | 147.5 | 85% | 0.85 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -161.8 | -17.4 | 168 | -104.9 | -32.5 | 0 | 0 | 0 | 117.9 | T791 | T791-N793 PolarHBondContact O-N 3.27Å; T791-N793 VanDerWaalsContact O-N 3.14Å |
| 794 | I | 30.9 | Very low | 28 | Very low | 147 Ų | 147 | 145.4 Ų | 145.4 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -98 | -21.8 | -160.8 | -65.6 | 174.6 | 0 | 0 | 0 | 115 | H796 | I794-H796 VanDerWaalsContact C-N 3.28Å; I794-H796 PolarHBondContact O-N 3.17Å; I794-H796 VanDerWaalsContact O-N 3.14Å |
| 795 | V | 29.2 | Very low | 27.8 | Very low | 137 Ų | 137 | 144 Ų | 144 | 83% | 0.83 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -75.8 | -6.1 | -164.9 | -173.9 | 0 | 0 | 0 | 0 | 114.6 | H797 | V795-H797 PolarHBondContact O-N 2.94Š|
| 796 | H | 28.1 | Very low | 27.5 | Very low | 123 Ų | 123 | 142.5 Ų | 142.5 | 57% | 0.569 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -87.5 | 7.4 | -164.7 | -130.9 | -74.2 | 0 | 0 | 0 | 117.8 | I794 K1551 | I794-H796 VanDerWaalsContact C-N 3.28Å; I794-H796 PolarHBondContact O-N 3.17Å; I794-H796 VanDerWaalsContact O-N 3.14Å; H796-K1551 VanDerWaalsContact NE2-CE 3.26Å; H796-K1551 WeakPolarHBondContact NE2-CE 3.45Å; H796-K1551 PolarHBondContact NE2-NZ 3.44Å |
| 797 | H | 30.3 | Very low | 27.5 | Very low | 178 Ų | 178 | 139.4 Ų | 139.4 | 82% | 0.824 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -104.3 | 5.9 | -174.5 | -95.3 | -73.4 | 0 | 0 | 0 | 115.9 | V795 | V795-H797 PolarHBondContact O-N 2.94Š|
| 798 | L | 24.8 | Very low | 27.7 | Very low | 147 Ų | 147 | 141.5 Ų | 141.5 | 77% | 0.77 | 73% | 0.729 | S | S | * | * | trans | -116.8 | 59.7 | -172.3 | -73.9 | 171.7 | 0 | 0 | 0 | 114.9 | ||||
| 799 | Q | 26.6 | Very low | 28.1 | Very low | 192 Ų | 192 | 137.2 Ų | 137.2 | 90% | 0.897 | 72% | 0.715 | S | S | * | * | trans | -132 | 96.4 | 157 | -90.6 | -179 | -54.9 | 0 | 0 | 109 | ||||
| 800 | L | 26.2 | Very low | 28.6 | Very low | 130 Ų | 130 | 134.9 Ų | 134.9 | 68% | 0.681 | 70% | 0.697 | S | S | * | * | trans | -148.9 | 75 | -173.3 | -152.1 | 175.7 | 0 | 0 | 0 | 110.1 | ||||
| 801 | N | 25 | Very low | 29.6 | Very low | 123 Ų | 123 | 131.3 Ų | 131.3 | 66% | 0.658 | 68% | 0.677 | S | S | * | * | trans | -143.8 | 131.1 | 166.8 | -93.3 | -6.8 | 0 | 0 | 0 | 106.3 | L233 | L233-N801 WeakPolarHBondContact CD2-OD1 3.42Š| ||
| 802 | E | 27.1 | Very low | 30.4 | Very low | 174 Ų | 174 | 130.2 Ų | 130.2 | 81% | 0.813 | 67% | 0.671 | S | S | * | * | trans | 90.5 | 87 | -173.4 | -59.5 | -174.7 | 178.1 | 0 | 0 | 117.4 | ||||
| 803 | M | 26 | Very low | 31.4 | Very low | 138 Ų | 138 | 130.2 Ų | 130.2 | 68% | 0.68 | 66% | 0.662 | S | S | * | * | trans | 179.1 | 71.6 | 134.5 | -101.2 | 171.2 | -79.6 | 0 | 0 | 110.6 | Q805 L973 | M803-Q805 PolarHBondContact O-N 3.41Å; M803-L973 HydrophobicContact CE-CB 3.8Å; M803-L973 HydrophobicContact CE-CD1 3.82Å; M803-L973 HydrophobicContact CE-CG 4.29Å; M803-L973 HydrophobicContact SD-CB 4.06Å; M803-L973 HydrophobicContact SD-CD1 3.75Å; M803-L973 HydrophobicContact SD-CD2 3.93Å; M803-L973 HydrophobicContact SD-CG 4.11Å | ||
| 804 | T | 26.7 | Very low | 32.6 | Very low | 74 Ų | 74 | 128.4 Ų | 128.4 | 45% | 0.454 | 65% | 0.647 | S | S | . | * | trans | -99.1 | 71.4 | 178.4 | 44.6 | 0 | 0 | 0 | 0 | 111.8 | R235 | R235-T804 WeakPolarHBondContact CD-O 2.93Å; R235-T804 PolarHBondContact NH1-O 3.44Å | ||
| 805 | Q | 27.8 | Very low | 33.8 | Very low | 130 Ų | 130 | 123.3 Ų | 123.3 | 61% | 0.607 | 62% | 0.62 | S | S | * | * | trans | -155.3 | 139.3 | 163.8 | -124.9 | 168 | -10.5 | 0 | 0 | 113.6 | M803 | M803-Q805 PolarHBondContact O-N 3.41Š| ||
| 806 | N | 26.8 | Very low | 35.2 | Very low | 137 Ų | 137 | 121.9 Ų | 121.9 | 73% | 0.733 | 60% | 0.6 | S | S | * | * | S | Bend | trans | 71 | 113.6 | 163.2 | -53.3 | -25 | 0 | 0 | 0 | 118.3 | ||
| 807 | N | 28.6 | Very low | 36.6 | Very low | 105 Ų | 105 | 119.7 Ų | 119.7 | 56% | 0.561 | 59% | 0.593 | S | S | * | * | trans | 61.5 | 84.1 | 162.2 | -61.6 | -9.1 | 0 | 0 | 0 | 117.4 | T809 | N807-T809 VanDerWaalsContact C-N 3.29Å; N807-T809 PolarHBondContact O-N 3.29Å | ||
| 808 | F | 33 | Very low | 38.2 | Very low | 145 Ų | 145 | 113.7 Ų | 113.7 | 64% | 0.636 | 56% | 0.563 | S | S | * | * | trans | -68.6 | 75.1 | 171 | -132.9 | -95.9 | 0 | 0 | 0 | 111.9 | W810 | F808-W810 HydrophobicContact CD1-CE3 4.44Å; F808-W810 HydrophobicContact CD1-CH2 4.35Å; F808-W810 HydrophobicContact CD1-CZ2 4.44Å; F808-W810 HydrophobicContact CD1-CZ3 4.35Å; F808-W810 HydrophobicContact CE1-CE3 4.46Å; F808-W810 HydrophobicContact CE1-CH2 4.28Å; F808-W810 HydrophobicContact CE1-CZ3 4.1Å; F808-W810 PolarHBondContact O-N 2.91Å | ||
| 809 | T | 34.8 | Very low | 40.2 | Very low | 95 Ų | 95 | 106.9 Ų | 106.9 | 58% | 0.583 | 53% | 0.527 | S | S | * | . | trans | -76 | 108.6 | 170 | 55.4 | 0 | 0 | 0 | 0 | 109.5 | N807 N811 V1460 | N807-T809 VanDerWaalsContact C-N 3.29Å; N807-T809 PolarHBondContact O-N 3.29Å; T809-N811 PolarHBondContact O-N 3.13Å; T809-V1460 HydrophobicContact CG2-CG1 4.42Å | ||
| 810 | W | 41.8 | Very low | 41.8 | Very low | 107 Ų | 107 | 99.9 Ų | 99.9 | 41% | 0.405 | 50% | 0.502 | S | S | . | . | trans | -54.6 | 99.7 | 178.6 | -61.7 | 103.6 | 0 | 0 | 0 | 111.9 | H103 T243 F808 T812 I815 | H103-W810 AromaticContact CE1-CE2 3.74Å; H103-W810 AromaticContact CE1-CZ2 3.43Å; H103-W810 VanDerWaalsContact CE1-CZ2 3.43Å; H103-W810 WeakPolarHBondContact CE1-CZ2 3.37Å; H103-W810 AromaticContact ND1-CZ2 3.56Å; T243-W810 HydrophobicContact CG2-CH2 3.72Å; T243-W810 HydrophobicContact CG2-CZ2 3.89Å; F808-W810 HydrophobicContact CD1-CE3 4.44Å; F808-W810 HydrophobicContact CD1-CH2 4.35Å; F808-W810 HydrophobicContact CD1-CZ2 4.44Å; F808-W810 HydrophobicContact CD1-CZ3 4.35Å; F808-W810 HydrophobicContact CE1-CE3 4.46Å; F808-W810 HydrophobicContact CE1-CH2 4.28Å; F808-W810 HydrophobicContact CE1-CZ3 4.1Å; F808-W810 PolarHBondContact O-N 2.91Å; W810-T812 VanDerWaalsContact C-N 3.31Å; W810-T812 PolarHBondContact O-N 2.86Å; W810-I815 HydrophobicContact CB-CD1 4.48Å; W810-I815 HydrophobicContact CE3-CD1 3.77Å; W810-I815 HydrophobicContact CZ3-CD1 4.48Å | ||
| 811 | N | 45.7 | Very low | 43.6 | Very low | 85 Ų | 85 | 102.6 Ų | 102.6 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | trans | -76.1 | 88.5 | 169.9 | -176.3 | 12.4 | 0 | 0 | 0 | 107.8 | T809 M813 F814 I815 | T809-N811 PolarHBondContact O-N 3.13Å; N811-M813 PolarHBondContact O-N 3.38Å; N811-M813 VanDerWaalsContact O-N 3.09Å; N811-F814 HydrophobicContact CB-CB 4.15Å; N811-F814 WeakPolarHBondContact O-CB 3.34Å; N811-F814 PolarHBondContact O-N 2.99Å; N811-I815 PolarHBondContact O-N 2.93Å | ||
| 812 | T | 46 | Very low | 45.5 | Very low | 88 Ų | 88 | 98.8 Ų | 98.8 | 54% | 0.54 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -49.1 | -38.6 | -178.1 | 52.1 | 0 | 0 | 0 | 0 | 112.1 | W810 F814 I815 W816 | W810-T812 VanDerWaalsContact C-N 3.31Å; W810-T812 PolarHBondContact O-N 2.86Å; T812-F814 VanDerWaalsContact C-N 3.31Å; T812-F814 PolarHBondContact O-N 3Å; T812-I815 PolarHBondContact O-N 2.72Å; T812-I815 VanDerWaalsContact O-N 3.17Å; T812-W816 PolarHBondContact O-N 3.2Å |
| 813 | M | 45.8 | Very low | 47.6 | Very low | 121 Ų | 121 | 90.8 Ų | 90.8 | 60% | 0.596 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -61.7 | -32.9 | 176.7 | -161.5 | 179.1 | -163 | 0 | 0 | 113.6 | N811 N817 | N811-M813 PolarHBondContact O-N 3.38Å; N811-M813 VanDerWaalsContact O-N 3.09Å; M813-N817 VanDerWaalsContact O-CB 3.29Å; M813-N817 WeakPolarHBondContact O-CB 3.37Å; M813-N817 PolarHBondContact O-N 3.24Å; M813-N817 PolarHBondContact O-ND2 2.99Å; M813-N817 PolarHBondContact O-OD1 2.81Å |
| 814 | F | 53 | Low | 49.7 | Very low | 121 Ų | 121 | 85.2 Ų | 85.2 | 53% | 0.531 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -71.7 | -40.3 | 174.3 | 178.9 | -93.1 | 0 | 0 | 0 | 111.6 | N811 T812 N817 Y818 | N811-F814 HydrophobicContact CB-CB 4.15Å; N811-F814 WeakPolarHBondContact O-CB 3.34Å; N811-F814 PolarHBondContact O-N 2.99Å; T812-F814 VanDerWaalsContact C-N 3.31Å; T812-F814 PolarHBondContact O-N 3Å; F814-N817 PolarHBondContact O-N 2.92Å; F814-Y818 PolarHBondContact O-N 2.99Å |
| 815 | I | 57.3 | Low | 51.8 | Low | 40 Ų | 40 | 84.4 Ų | 84.4 | 21% | 0.205 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -64.7 | -51.3 | 177.9 | -50.5 | 169.7 | 0 | 0 | 0 | 109.6 | F223 W810 N811 T812 N817 Y818 L819 | F223-I815 HydrophobicContact CE1-CG2 3.9Å; W810-I815 HydrophobicContact CB-CD1 4.48Å; W810-I815 HydrophobicContact CE3-CD1 3.77Å; W810-I815 HydrophobicContact CZ3-CD1 4.48Å; N811-I815 PolarHBondContact O-N 2.93Å; T812-I815 PolarHBondContact O-N 2.72Å; T812-I815 VanDerWaalsContact O-N 3.17Å; I815-N817 VanDerWaalsContact C-N 3.29Å; I815-N817 PolarHBondContact O-N 2.96Å; I815-Y818 PolarHBondContact O-N 3.27Å; I815-Y818 VanDerWaalsContact O-N 3.16Å; I815-L819 HydrophobicContact CG2-CD1 3.93Å; I815-L819 HydrophobicContact CG2-CG 4.37Å; I815-L819 WeakPolarHBondContact O-CB 3.46Å; I815-L819 WeakPolarHBondContact O-CG 3.38Å; I815-L819 PolarHBondContact O-N 3.45Å |
| 816 | W | 57.7 | Low | 53.7 | Low | 107 Ų | 107 | 79.7 Ų | 79.7 | 41% | 0.405 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -56.6 | -41.5 | 175.5 | -80.4 | 114 | 0 | 0 | 0 | 112.3 | T812 A820 L842 | T812-W816 PolarHBondContact O-N 3.2Å; W816-A820 WeakPolarHBondContact O-CB 3.5Å; W816-A820 PolarHBondContact O-N 2.73Å; W816-L842 HydrophobicContact CH2-CB 4.44Å; W816-L842 HydrophobicContact CZ3-CB 4.06Å; W816-L842 HydrophobicContact CZ3-CD1 4.06Å |
| 817 | N | 57.7 | Low | 55.9 | Low | 77 Ų | 77 | 73.5 Ų | 73.5 | 41% | 0.412 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.2 | -44.7 | 175.1 | -73.5 | -4.7 | 0 | 0 | 0 | 112.5 | M813 F814 I815 L819 A820 Y821 | M813-N817 VanDerWaalsContact O-CB 3.29Å; M813-N817 WeakPolarHBondContact O-CB 3.37Å; M813-N817 PolarHBondContact O-N 3.24Å; M813-N817 PolarHBondContact O-ND2 2.99Å; M813-N817 PolarHBondContact O-OD1 2.81Å; F814-N817 PolarHBondContact O-N 2.92Å; I815-N817 VanDerWaalsContact C-N 3.29Å; I815-N817 PolarHBondContact O-N 2.96Å; N817-L819 PolarHBondContact O-N 2.75Å; N817-A820 PolarHBondContact O-N 3.19Å; N817-Y821 HydrophobicContact CB-CD2 4.22Å; N817-Y821 WeakPolarHBondContact O-CB 3.2Å; N817-Y821 VanDerWaalsContact O-CD2 3.28Å; N817-Y821 WeakPolarHBondContact O-CD2 3.36Å; N817-Y821 PolarHBondContact O-N 2.73Å |
| 818 | Y | 64.1 | Low | 57.8 | Low | 51 Ų | 51 | 69.1 Ų | 69.1 | 20% | 0.2 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62 | -43.7 | 177.4 | 176.2 | -88.4 | 0 | 0 | 0 | 111.8 | D218 P224 F814 I815 S822 Y823 | D218-Y818 PolarHBondContact OD2-OH 3.24Å; P224-Y818 HydrophobicContact CB-CE1 4.35Å; P224-Y818 HydrophobicContact CB-CE2 3.88Å; P224-Y818 VanDerWaalsContact CD-CE1 3.48Å; P224-Y818 HydrophobicContact CG-CD1 4.25Å; P224-Y818 HydrophobicContact CG-CD2 4.08Å; P224-Y818 HydrophobicContact CG-CE1 3.91Å; P224-Y818 HydrophobicContact CG-CE2 3.69Å; P224-Y818 HydrophobicContact CG-CG 4.35Å; F814-Y818 PolarHBondContact O-N 2.99Å; I815-Y818 PolarHBondContact O-N 3.27Å; I815-Y818 VanDerWaalsContact O-N 3.16Å; Y818-S822 WeakPolarHBondContact CD2-OG 3.19Å; Y818-S822 VanDerWaalsContact CE2-OG 3.27Å; Y818-S822 WeakPolarHBondContact CE2-OG 3.16Å; Y818-S822 PolarHBondContact O-N 2.79Å; Y818-S822 PolarHBondContact O-OG 3.25Å; Y818-Y823 PolarHBondContact O-N 2.84Å; Y818-Y823 VanDerWaalsContact O-N 3.13Å |
| 819 | L | 66.2 | Low | 59.5 | Low | 4 Ų | 4 | 69.8 Ų | 69.8 | 2% | 0.021 | 35% | 0.347 | C | S | . | . | I | π-helix | trans | -61.3 | -50.6 | 176.9 | -69.6 | 172.4 | 0 | 0 | 0 | 110.5 | I815 N817 Y823 W824 | I815-L819 HydrophobicContact CG2-CD1 3.93Å; I815-L819 HydrophobicContact CG2-CG 4.37Å; I815-L819 WeakPolarHBondContact O-CB 3.46Å; I815-L819 WeakPolarHBondContact O-CG 3.38Å; I815-L819 PolarHBondContact O-N 3.45Å; N817-L819 PolarHBondContact O-N 2.75Å; L819-Y823 HydrophobicContact CD2-CG 4.26Å; L819-Y823 PolarHBondContact O-N 2.78Å; L819-W824 VanDerWaalsContact C-CD1 3.5Å; L819-W824 HydrophobicContact CB-CZ2 3.95Å; L819-W824 HydrophobicContact CD1-CZ2 4.15Å; L819-W824 HydrophobicContact CD2-CH2 4.16Å; L819-W824 HydrophobicContact CD2-CZ2 3.96Å; L819-W824 HydrophobicContact CG-CZ2 4.24Å; L819-W824 VanDerWaalsContact O-CG 3.26Å; L819-W824 PolarHBondContact O-N 2.91Å |
| 820 | A | 60.3 | Low | 61 | Low | 45 Ų | 45 | 68.5 Ų | 68.5 | 37% | 0.372 | 33% | 0.334 | S | S | . | . | I | π-helix | trans | -65 | -41.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | W816 N817 P825 | W816-A820 WeakPolarHBondContact O-CB 3.5Å; W816-A820 PolarHBondContact O-N 2.73Å; N817-A820 PolarHBondContact O-N 3.19Å; A820-P825 WeakPolarHBondContact O-CD 3.46Å; A820-P825 WeakPolarHBondContact O-CG 3.4Å |
| 821 | Y | 63.7 | Low | 62.2 | Low | 188 Ų | 188 | 65 Ų | 65 | 74% | 0.737 | 32% | 0.321 | S | S | * | . | I | π-helix | trans | -99.3 | -19.2 | -171.2 | -69.6 | -66.3 | 0 | 0 | 0 | 115.2 | N817 | N817-Y821 HydrophobicContact CB-CD2 4.22Å; N817-Y821 WeakPolarHBondContact O-CB 3.2Å; N817-Y821 VanDerWaalsContact O-CD2 3.28Å; N817-Y821 WeakPolarHBondContact O-CD2 3.36Å; N817-Y821 PolarHBondContact O-N 2.73Å |
| 822 | S | 66 | Low | 63 | Low | 43 Ų | 43 | 66.8 Ų | 66.8 | 30% | 0.301 | 33% | 0.33 | S | S | . | . | I | π-helix | trans | -126.6 | -45.4 | -179.5 | 36.7 | 0 | 0 | 0 | 0 | 114.6 | Y818 S826 | Y818-S822 WeakPolarHBondContact CD2-OG 3.19Å; Y818-S822 VanDerWaalsContact CE2-OG 3.27Å; Y818-S822 WeakPolarHBondContact CE2-OG 3.16Å; Y818-S822 PolarHBondContact O-N 2.79Å; Y818-S822 PolarHBondContact O-OG 3.25Å; S822-S826 VanDerWaalsContact O-CB 3.24Å; S822-S826 WeakPolarHBondContact O-CB 3.45Å; S822-S826 PolarHBondContact O-N 3.21Å; S822-S826 PolarHBondContact O-OG 3.03Å |
| 823 | Y | 70.7 | Confident | 63.8 | Low | 5 Ų | 5 | 64.8 Ų | 64.8 | 2% | 0.02 | 32% | 0.316 | C | S | . | . | I | π-helix | trans | -74.3 | -58.5 | -175.4 | -174 | -74.4 | 0 | 0 | 0 | 112.1 | L184 D218 L219 G222 T247 Y818 L819 S826 L827 | L184-Y823 WeakPolarHBondContact CD1-OH 3.37Å; D218-Y823 VanDerWaalsContact O-CE2 3.27Å; D218-Y823 WeakPolarHBondContact O-CE2 3.36Å; L219-Y823 HydrophobicContact CD1-CE1 4.23Å; L219-Y823 HydrophobicContact CD1-CE2 4.16Å; L219-Y823 VanDerWaalsContact O-CE2 3.27Å; L219-Y823 WeakPolarHBondContact O-CE2 3.46Å; L219-Y823 VanDerWaalsContact O-CZ 3.32Å; L219-Y823 PolarHBondContact O-OH 2.72Å; G222-Y823 VanDerWaalsContact CA-CE2 3.46Å; T247-Y823 PolarHBondContact OG1-OH 3.03Å; Y818-Y823 PolarHBondContact O-N 2.84Å; Y818-Y823 VanDerWaalsContact O-N 3.13Å; L819-Y823 HydrophobicContact CD2-CG 4.26Å; L819-Y823 PolarHBondContact O-N 2.78Å; Y823-S826 WeakPolarHBondContact O-CB 3.4Å; Y823-S826 PolarHBondContact O-N 2.97Å; Y823-L827 PolarHBondContact O-N 3.06Å |
| 824 | W | 71 | Confident | 64.3 | Low | 22 Ų | 22 | 62.8 Ų | 62.8 | 8% | 0.083 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.5 | -39.3 | -177.4 | -46.3 | 137.8 | 0 | 0 | 0 | 112.7 | M97 Q99 T247 L819 S826 L827 A828 L840 L842 | M97-W824 HydrophobicContact CE-CD2 4.49Å; M97-W824 HydrophobicContact CE-CE3 3.55Å; M97-W824 HydrophobicContact CE-CH2 4.35Å; M97-W824 HydrophobicContact CE-CZ3 3.49Å; M97-W824 VanDerWaalsContact CE-CZ3 3.49Å; M97-W824 HydrophobicContact CG-CH2 4.05Å; M97-W824 HydrophobicContact CG-CZ3 4.11Å; M97-W824 HydrophobicContact SD-CD2 3.63Å; M97-W824 HydrophobicContact SD-CE3 3.18Å; M97-W824 HydrophobicContact SD-CH2 3.54Å; M97-W824 VanDerWaalsContact SD-CH2 3.54Å; M97-W824 HydrophobicContact SD-CZ2 3.91Å; M97-W824 HydrophobicContact SD-CZ3 3.16Å; M97-W824 WeakPolarHBondContact SD-CZ3 3.49Å; Q99-W824 HydrophobicContact CG-CH2 3.85Å; T247-W824 HydrophobicContact CG2-CZ3 4.08Å; L819-W824 VanDerWaalsContact C-CD1 3.5Å; L819-W824 HydrophobicContact CB-CZ2 3.95Å; L819-W824 HydrophobicContact CD1-CZ2 4.15Å; L819-W824 HydrophobicContact CD2-CH2 4.16Å; L819-W824 HydrophobicContact CD2-CZ2 3.96Å; L819-W824 HydrophobicContact CG-CZ2 4.24Å; L819-W824 VanDerWaalsContact O-CG 3.26Å; L819-W824 PolarHBondContact O-N 2.91Å; W824-S826 PolarHBondContact O-N 3.4Å; W824-L827 PolarHBondContact O-N 2.87Å; W824-A828 WeakPolarHBondContact O-CB 3.4Å; W824-A828 PolarHBondContact O-N 2.78Å; W824-L840 HydrophobicContact CB-CD2 4.49Å; W824-L842 HydrophobicContact CD2-CD2 4.25Å; W824-L842 VanDerWaalsContact CE2-CD2 3.49Å; W824-L842 HydrophobicContact CZ2-CD2 3.7Å; W824-L842 VanDerWaalsContact NE1-CD2 3.33Å |
| 825 | P | 69.1 | Low | 64.4 | Low | 57 Ų | 57 | 60.6 Ų | 60.6 | 37% | 0.37 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.7 | -35.2 | 172.7 | -24.5 | 36.7 | 0 | 0 | 0 | 113.4 | A820 K829 | A820-P825 WeakPolarHBondContact O-CD 3.46Å; A820-P825 WeakPolarHBondContact O-CG 3.4Å; P825-K829 WeakPolarHBondContact O-CB 3.16Å; P825-K829 PolarHBondContact O-N 2.83Å |
| 826 | S | 69.3 | Low | 64 | Low | 30 Ų | 30 | 63.5 Ų | 63.5 | 21% | 0.21 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.1 | -42.1 | 173.9 | -64.2 | 0 | 0 | 0 | 0 | 111.3 | S822 Y823 W824 K829 H830 | S822-S826 VanDerWaalsContact O-CB 3.24Å; S822-S826 WeakPolarHBondContact O-CB 3.45Å; S822-S826 PolarHBondContact O-N 3.21Å; S822-S826 PolarHBondContact O-OG 3.03Å; Y823-S826 WeakPolarHBondContact O-CB 3.4Å; Y823-S826 PolarHBondContact O-N 2.97Å; W824-S826 PolarHBondContact O-N 3.4Å; S826-K829 PolarHBondContact O-N 2.85Å; S826-H830 PolarHBondContact O-N 2.84Å; S826-H830 VanDerWaalsContact O-N 3.09Å; S826-H830 PolarHBondContact O-ND1 2.84Å |
| 827 | L | 72.4 | Confident | 63.3 | Low | 8 Ų | 8 | 61.6 Ų | 61.6 | 4% | 0.042 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.5 | -49.1 | 175.1 | -179.8 | 62.4 | 0 | 0 | 0 | 111.4 | M97 L184 L219 Y823 W824 K829 H830 Y831 | M97-L827 HydrophobicContact CE-CD2 3.56Å; L184-L827 HydrophobicContact CD1-CD1 3.75Å; L184-L827 HydrophobicContact CD1-CD2 4.44Å; L219-L827 HydrophobicContact CD1-CB 4.01Å; L219-L827 HydrophobicContact CD1-CD1 4.09Å; Y823-L827 PolarHBondContact O-N 3.06Å; W824-L827 PolarHBondContact O-N 2.87Å; L827-K829 VanDerWaalsContact C-N 3.28Å; L827-K829 PolarHBondContact O-N 3.36Å; L827-H830 PolarHBondContact O-N 2.81Å; L827-H830 VanDerWaalsContact O-N 3.15Å; L827-Y831 HydrophobicContact CD1-CD2 3.66Å; L827-Y831 HydrophobicContact CD1-CE2 3.67Å; L827-Y831 HydrophobicContact CG-CD2 4.47Å; L827-Y831 PolarHBondContact O-N 3.45Å |
| 828 | A | 68.2 | Low | 62.8 | Low | 12 Ų | 12 | 60.5 Ų | 60.5 | 10% | 0.099 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.9 | -39.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | W824 Y831 N832 L833 L835 | W824-A828 WeakPolarHBondContact O-CB 3.4Å; W824-A828 PolarHBondContact O-N 2.78Å; A828-Y831 PolarHBondContact O-N 2.6Å; A828-N832 PolarHBondContact O-N 3.25Å; A828-L833 HydrophobicContact CB-CB 4.18Å; A828-L833 PolarHBondContact O-N 3.44Å; A828-L835 HydrophobicContact CB-CD1 3.76Å; A828-L835 HydrophobicContact CB-CG 4.37Å |
| 829 | K | 69.4 | Low | 62.2 | Low | 160 Ų | 160 | 63.8 Ų | 63.8 | 70% | 0.696 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62.2 | -44.1 | 174.3 | -166.5 | -163.2 | 175 | -150.9 | 0 | 112.5 | P825 S826 L827 Y831 N832 | P825-K829 WeakPolarHBondContact O-CB 3.16Å; P825-K829 PolarHBondContact O-N 2.83Å; S826-K829 PolarHBondContact O-N 2.85Å; L827-K829 VanDerWaalsContact C-N 3.28Å; L827-K829 PolarHBondContact O-N 3.36Å; K829-Y831 VanDerWaalsContact C-N 3.3Å; K829-Y831 PolarHBondContact O-N 2.98Å; K829-N832 PolarHBondContact O-N 2.77Å |
| 830 | H | 66.1 | Low | 61.9 | Low | 67 Ų | 67 | 66.3 Ų | 66.3 | 31% | 0.31 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -68.7 | -25.7 | -177.5 | -76.5 | 79.8 | 0 | 0 | 0 | 113.9 | S826 L827 | S826-H830 PolarHBondContact O-N 2.84Å; S826-H830 VanDerWaalsContact O-N 3.09Å; S826-H830 PolarHBondContact O-ND1 2.84Å; L827-H830 PolarHBondContact O-N 2.81Å; L827-H830 VanDerWaalsContact O-N 3.15Å |
| 831 | Y | 66 | Low | 61.7 | Low | 34 Ų | 34 | 65.7 Ų | 65.7 | 13% | 0.133 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 11.7 | 177.7 | -72.8 | -83.4 | 0 | 0 | 0 | 113.5 | V158 P177 L182 L827 A828 K829 L833 | V158-Y831 HydrophobicContact CG1-CD1 4.09Å; V158-Y831 HydrophobicContact CG1-CE1 3.96Å; V158-Y831 HydrophobicContact CG2-CD1 4.27Å; V158-Y831 HydrophobicContact CG2-CE1 3.96Å; P177-Y831 WeakPolarHBondContact CD-OH 3.08Å; P177-Y831 PolarHBondContact O-OH 2.79Å; L182-Y831 HydrophobicContact CD1-CD2 4.27Å; L182-Y831 HydrophobicContact CD1-CE1 4.1Å; L182-Y831 HydrophobicContact CD1-CE2 3.67Å; L827-Y831 HydrophobicContact CD1-CD2 3.66Å; L827-Y831 HydrophobicContact CD1-CE2 3.67Å; L827-Y831 HydrophobicContact CG-CD2 4.47Å; L827-Y831 PolarHBondContact O-N 3.45Å; A828-Y831 PolarHBondContact O-N 2.6Å; K829-Y831 VanDerWaalsContact C-N 3.3Å; K829-Y831 PolarHBondContact O-N 2.98Å; Y831-L833 PolarHBondContact O-N 2.93Å; Y831-L833 VanDerWaalsContact O-N 3.14Å |
| 832 | N | 62.9 | Low | 61.6 | Low | 122 Ų | 122 | 60 Ų | 60 | 65% | 0.652 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 33.6 | -178.7 | -159.7 | 18.7 | 0 | 0 | 0 | 114.3 | A828 K829 S834 | A828-N832 PolarHBondContact O-N 3.25Å; K829-N832 PolarHBondContact O-N 2.77Å; N832-S834 PolarHBondContact O-N 2.89Å |
| 833 | L | 63.1 | Low | 61.6 | Low | 47 Ų | 47 | 59.6 Ų | 59.6 | 25% | 0.246 | 34% | 0.339 | C | S | . | . | trans | -78.7 | 106.8 | -176.3 | -67.4 | 173.1 | 0 | 0 | 0 | 110.5 | L94 F156 A828 Y831 L835 | L94-L833 HydrophobicContact CD2-CB 4.48Å; F156-L833 HydrophobicContact CE1-CD2 4.39Å; F156-L833 HydrophobicContact CZ-CD2 4.01Å; A828-L833 HydrophobicContact CB-CB 4.18Å; A828-L833 PolarHBondContact O-N 3.44Å; Y831-L833 PolarHBondContact O-N 2.93Å; Y831-L833 VanDerWaalsContact O-N 3.14Å; L833-L835 PolarHBondContact O-N 3.39Å; L833-L835 VanDerWaalsContact O-N 3.13Å | ||
| 834 | S | 56.5 | Low | 61.1 | Low | 78 Ų | 78 | 66.3 Ų | 66.3 | 55% | 0.545 | 37% | 0.371 | S | S | . | . | trans | -67.3 | 109.9 | 173.1 | -174.7 | 0 | 0 | 0 | 0 | 111 | N832 V836 | N832-S834 PolarHBondContact O-N 2.89Å; S834-V836 PolarHBondContact OG-N 3.05Å | ||
| 835 | L | 54.8 | Low | 60.8 | Low | 76 Ų | 76 | 67.1 Ų | 67.1 | 40% | 0.398 | 38% | 0.379 | S | S | . | . | trans | -84.4 | 4.9 | 172.4 | -70.5 | 164.7 | 0 | 0 | 0 | 112.7 | L94 A828 L833 G837 C838 | L94-L835 HydrophobicContact CD2-CD2 3.81Å; A828-L835 HydrophobicContact CB-CD1 3.76Å; A828-L835 HydrophobicContact CB-CG 4.37Å; L833-L835 PolarHBondContact O-N 3.39Å; L833-L835 VanDerWaalsContact O-N 3.13Å; L835-G837 PolarHBondContact O-N 2.87Å; L835-G837 VanDerWaalsContact O-N 3.12Å; L835-C838 PolarHBondContact O-N 3.48Å | ||
| 836 | V | 48.1 | Very low | 60.7 | Low | 100 Ų | 100 | 65.4 Ų | 65.4 | 61% | 0.606 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | 104.5 | -177 | -177 | 0 | 0 | 0 | 0 | 109.9 | F85 S834 | F85-V836 HydrophobicContact CE2-CG1 4.31Å; F85-V836 HydrophobicContact CZ-CG1 4.26Å; S834-V836 PolarHBondContact OG-N 3.05Å |
| 837 | G | 44.2 | Very low | 60.6 | Low | 68 Ų | 68 | 68.2 Ų | 68.2 | 70% | 0.701 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.8 | -7.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L835 | L835-G837 PolarHBondContact O-N 2.87Å; L835-G837 VanDerWaalsContact O-N 3.12Å |
| 838 | C | 46.7 | Very low | 60.4 | Low | 54 Ų | 54 | 68.4 Ų | 68.4 | 37% | 0.365 | 38% | 0.378 | S | S | . | . | trans | -105.5 | 148.5 | -175 | -64 | 0 | 0 | 0 | 0 | 112.4 | L94 L835 | L94-C838 HydrophobicContact CB-CB 4.17Å; L94-C838 HydrophobicContact CD1-CB 4.17Å; L835-C838 PolarHBondContact O-N 3.48Å | ||
| 839 | H | 51.5 | Low | 60.3 | Low | 119 Ų | 119 | 72.6 Ų | 72.6 | 55% | 0.551 | 39% | 0.394 | S | S | * | . | trans | -110.5 | 133.1 | 176.4 | -63.5 | -43.8 | 0 | 0 | 0 | 112 | F78 L94 | F78-H839 AromaticContact CZ-CE1 3.79Å; F78-H839 AromaticContact CZ-NE2 3.55Å; L94-H839 PolarHBondContact N-O 3.17Å | ||
| 840 | L | 59.2 | Low | 60.1 | Low | 58 Ų | 58 | 65.8 Ų | 65.8 | 30% | 0.304 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 128.2 | 168.5 | -176.7 | 73.5 | 0 | 0 | 0 | 108.8 | M97 W824 L842 | M97-L840 HydrophobicContact SD-CD2 3.92Å; W824-L840 HydrophobicContact CB-CD2 4.49Å; L840-L842 HydrophobicContact CD2-CD2 4.36Å |
| 841 | A | 57 | Low | 59.8 | Low | 31 Ų | 31 | 66.8 Ų | 66.8 | 26% | 0.256 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 114.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | G95 Y96 M97 | G95-A841 PolarHBondContact O-N 2.89Å; Y96-A841 CarbonylContact C-O 3.45Å; Y96-A841 WeakPolarHBondContact CA-O 3.43Å; Y96-A841 HydrophobicContact CD1-CB 3.33Å; Y96-A841 HydrophobicContact CE1-CB 3.57Å; Y96-A841 HydrophobicContact CG-CB 4.14Å; M97-A841 PolarHBondContact N-O 2.99Å |
| 842 | L | 62 | Low | 59.7 | Low | 70 Ų | 70 | 66.1 Ų | 66.1 | 37% | 0.366 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 123.3 | 179.9 | -63.7 | 166.6 | 0 | 0 | 0 | 110 | M97 W816 W824 L840 | M97-L842 HydrophobicContact CB-CD2 4.15Å; M97-L842 HydrophobicContact CG-CD2 4.08Å; M97-L842 HydrophobicContact SD-CD2 3.79Å; W816-L842 HydrophobicContact CH2-CB 4.44Å; W816-L842 HydrophobicContact CZ3-CB 4.06Å; W816-L842 HydrophobicContact CZ3-CD1 4.06Å; W824-L842 HydrophobicContact CD2-CD2 4.25Å; W824-L842 VanDerWaalsContact CE2-CD2 3.49Å; W824-L842 HydrophobicContact CZ2-CD2 3.7Å; W824-L842 VanDerWaalsContact NE1-CD2 3.33Å; L840-L842 HydrophobicContact CD2-CD2 4.36Å |
| 843 | L | 65.2 | Low | 59.4 | Low | 33 Ų | 33 | 66.6 Ų | 66.6 | 17% | 0.173 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -91 | 162.8 | 177.9 | -56.9 | 178.9 | 0 | 0 | 0 | 111 | Y96 M97 L98 Y253 F258 | Y96-L843 HydrophobicContact CD1-CD2 4.45Å; M97-L843 WeakPolarHBondContact O-CB 3.21Å; M97-L843 PolarHBondContact O-N 3.34Å; L98-L843 HydrophobicContact CB-CD1 4.29Å; L98-L843 HydrophobicContact CD1-CB 4.03Å; L98-L843 HydrophobicContact CD1-CD1 4.46Å; Y253-L843 HydrophobicContact CD2-CD1 4.22Å; Y253-L843 HydrophobicContact CD2-CD2 3.81Å; Y253-L843 HydrophobicContact CE2-CD1 4.25Å; Y253-L843 HydrophobicContact CE2-CD2 3.59Å; F258-L843 HydrophobicContact CD1-CD1 4.26Å; F258-L843 HydrophobicContact CE1-CD1 3.69Å; F258-L843 HydrophobicContact CE2-CD1 4.06Å; F258-L843 HydrophobicContact CZ-CD1 3.6Å |
| 844 | E | 60.3 | Low | 59.2 | Low | 146 Ų | 146 | 66.4 Ų | 66.4 | 68% | 0.682 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 133 | 177.5 | -63.9 | -173.3 | 160 | 0 | 0 | 111.1 | L98 | L98-E844 WeakPolarHBondContact CD1-O 3.48Š|
| 845 | P | 64.7 | Low | 58.9 | Low | 39 Ų | 39 | 68.7 Ų | 68.7 | 25% | 0.253 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -74 | 134.3 | -176.3 | 28.8 | -34.6 | 0 | 0 | 0 | 112.4 | Q99 V101 | Q99-P845 HydrophobicContact CB-CB 4.21Å; Q99-P845 CarbonylContact O-C 3.45Å; Q99-P845 VanDerWaalsContact O-CA 3.29Å; Q99-P845 WeakPolarHBondContact O-CA 3.32Å; V101-P845 HydrophobicContact CG2-CB 3.98Å |
| 846 | V | 66.7 | Low | 58.5 | Low | 21 Ų | 21 | 66.6 Ų | 66.6 | 13% | 0.127 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 120.1 | 174.2 | 179.7 | 0 | 0 | 0 | 0 | 109.1 | L98 Q99 I100 V101 L848 | L98-V846 HydrophobicContact CD1-CG2 4.34Å; Q99-V846 PolarHBondContact O-N 3.09Å; I100-V846 CarbonylContact C-O 3.53Å; I100-V846 WeakPolarHBondContact CA-O 3.28Å; I100-V846 HydrophobicContact CG1-CB 4.44Å; I100-V846 HydrophobicContact CG2-CB 4.47Å; V101-V846 PolarHBondContact N-O 2.89Å; V846-L848 HydrophobicContact CG1-CD2 4.4Å |
| 847 | H | 66.8 | Low | 58.1 | Low | 89 Ų | 89 | 67.1 Ų | 67.1 | 41% | 0.412 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 111.5 | -179.1 | -74.5 | -54 | 0 | 0 | 0 | 112.7 | V101 H103 L299 | V101-H847 WeakPolarHBondContact CB-ND1 3.41Å; V101-H847 WeakPolarHBondContact O-CA 3.16Å; H103-H847 AromaticContact NE2-ND1 3.52Å; L299-H847 VanDerWaalsContact CD1-O 3.3Å; L299-H847 WeakPolarHBondContact CD1-O 3.25Å |
| 848 | L | 69.1 | Low | 57.6 | Low | 13 Ų | 13 | 70.6 Ų | 70.6 | 7% | 0.068 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 149.6 | 173.3 | -59.1 | 178.6 | 0 | 0 | 0 | 110.6 | I100 V101 T102 H103 I130 V846 Y850 | I100-L848 HydrophobicContact CG2-CD1 3.59Å; I100-L848 HydrophobicContact CG2-CG 4.06Å; V101-L848 PolarHBondContact O-N 3.17Å; T102-L848 CarbonylContact C-O 3.58Å; T102-L848 WeakPolarHBondContact CA-O 3.46Å; T102-L848 HydrophobicContact CG2-CB 4.42Å; H103-L848 PolarHBondContact CD2-O 3.04Å; H103-L848 PolarHBondContact N-O 3Å; I130-L848 HydrophobicContact CD1-CD1 4.45Å; V846-L848 HydrophobicContact CG1-CD2 4.4Å; L848-Y850 HydrophobicContact CB-CE2 3.79Å |
| 849 | K | 64.9 | Low | 56.9 | Low | 99 Ų | 99 | 77.6 Ų | 77.6 | 43% | 0.43 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 126.9 | -174.3 | -173.4 | 179.5 | -178.7 | -178 | 0 | 112.9 | H103 | H103-K849 HydrophobicContact CB-CB 4.33Å; H103-K849 HydrophobicContact CB-CG 4.15Å; H103-K849 WeakPolarHBondContact O-CA 3.37Å |
| 850 | Y | 66.8 | Low | 55.8 | Low | 18 Ų | 18 | 75.8 Ų | 75.8 | 7% | 0.071 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 167.8 | -171.9 | -55 | -95.4 | 0 | 0 | 0 | 112.1 | T102 H103 K105 Q126 M269 L848 | T102-Y850 HydrophobicContact CG2-CE2 4.16Å; H103-Y850 PolarHBondContact O-N 2.76Å; K105-Y850 PolarHBondContact N-O 3.37Å; Q126-Y850 VanDerWaalsContact NE2-CE2 3.33Å; M269-Y850 HydrophobicContact CE-CE1 3.69Å; L848-Y850 HydrophobicContact CB-CE2 3.79Å |
| 851 | K | 59.6 | Low | 54.4 | Low | 88 Ų | 88 | 81.3 Ų | 81.3 | 38% | 0.383 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 94.9 | -178.2 | -173.2 | -169.9 | 176.4 | -163 | 0 | 110.6 | K105 I107 H853 | K105-K851 CarbonylContact O-C 3.55Å; K105-K851 VanDerWaalsContact O-CA 3.29Å; K105-K851 WeakPolarHBondContact O-CA 3.44Å; I107-K851 HydrophobicContact CD1-CD 4.39Å; I107-K851 HydrophobicContact CD1-CG 4.04Å; K851-H853 WeakPolarHBondContact CE-NE2 3.31Å; K851-H853 PolarHBondContact NZ-NE2 3.42Å |
| 852 | L | 64 | Low | 53 | Low | 20 Ų | 20 | 83.3 Ų | 83.3 | 11% | 0.105 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 136.8 | 172.8 | -94.6 | 74.5 | 0 | 0 | 0 | 110.2 | K105 I106 I107 | K105-L852 PolarHBondContact O-N 2.85Å; I106-L852 HydrophobicContact CG1-CB 4.43Å; I107-L852 PolarHBondContact N-O 2.81Å |
| 853 | H | 56.7 | Low | 51.4 | Low | 131 Ų | 131 | 88.8 Ų | 88.8 | 61% | 0.606 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 121.6 | 165.9 | -77.7 | -87.6 | 0 | 0 | 0 | 108.9 | K851 | K851-H853 WeakPolarHBondContact CE-NE2 3.31Å; K851-H853 PolarHBondContact NZ-NE2 3.42Å |
| 854 | I | 57.4 | Low | 49.6 | Very low | 43 Ų | 43 | 91.3 Ų | 91.3 | 22% | 0.221 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 124.6 | 177.7 | -57.8 | 175.1 | 0 | 0 | 0 | 108.5 | I106 I107 T108 T119 | I106-I854 HydrophobicContact CG2-CD1 3.62Å; I106-I854 HydrophobicContact CG2-CG1 4.26Å; I107-I854 PolarHBondContact O-N 3.01Å; T108-I854 HydrophobicContact CG2-CB 4.37Å; T108-I854 HydrophobicContact CG2-CD1 4.27Å; T119-I854 HydrophobicContact CG2-CD1 4.05Å; T119-I854 VanDerWaalsContact OG1-CD1 3.24Å; T119-I854 WeakPolarHBondContact OG1-CD1 3.35Å |
| 855 | I | 51.2 | Low | 48.1 | Very low | 127 Ų | 127 | 90.9 Ų | 90.9 | 65% | 0.651 | 51% | 0.509 | S | S | * | . | trans | -94.5 | 103.6 | 175.6 | -57.3 | 178.7 | 0 | 0 | 0 | 107.8 | S857 | I855-S857 PolarHBondContact O-N 2.7Š| ||
| 856 | D | 47.2 | Very low | 46.4 | Very low | 31 Ų | 31 | 96 Ų | 96 | 17% | 0.166 | 53% | 0.533 | C | S | . | . | trans | -60.4 | 122.9 | 169.3 | -66.1 | -42.4 | 0 | 0 | 0 | 109.7 | T110 K112 D858 | T110-D856 PolarHBondContact N-OD2 3.1Å; T110-D856 PolarHBondContact OG1-OD2 2.84Å; K112-D856 WeakPolarHBondContact CE-OD1 3.49Å; K112-D856 IonicContact NZ-OD1 3.65Å; K112-D856 PolarHBondContact NZ-OD1 3.02Å; D856-D858 PolarHBondContact O-N 3.12Å | ||
| 857 | S | 39 | Very low | 44.5 | Very low | 112 Ų | 112 | 103.2 Ų | 103.2 | 78% | 0.783 | 57% | 0.565 | S | S | * | * | trans | -99.1 | 59.3 | -177.7 | 59.6 | 0 | 0 | 0 | 0 | 112.6 | I855 | I855-S857 PolarHBondContact O-N 2.7Š| ||
| 858 | D | 34.6 | Very low | 42.4 | Very low | 141 Ų | 141 | 102.7 Ų | 102.7 | 75% | 0.754 | 57% | 0.572 | S | S | * | * | trans | -142.2 | 72.8 | -176.9 | -85.7 | -52.6 | 0 | 0 | 0 | 112.2 | D856 | D856-D858 PolarHBondContact O-N 3.12Š| ||
| 859 | Q | 31 | Very low | 40.3 | Very low | 201 Ų | 201 | 108.7 Ų | 108.7 | 94% | 0.939 | 60% | 0.603 | S | S | * | * | trans | -149.6 | 94.8 | 159.8 | -75.7 | -155.8 | -44.6 | 0 | 0 | 112.5 | ||||
| 860 | G | 28.1 | Very low | 38.4 | Very low | 80 Ų | 80 | 112.5 Ų | 112.5 | 83% | 0.825 | 62% | 0.623 | S | S | * | * | trans | 66.8 | 93.7 | 142.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 861 | I | 30.5 | Very low | 36.3 | Very low | 174 Ų | 174 | 121.6 Ų | 121.6 | 89% | 0.892 | 66% | 0.663 | S | S | * | * | trans | -127.5 | 129 | 135.6 | -60.3 | -179.2 | 0 | 0 | 0 | 106.8 | ||||
| 862 | G | 26.1 | Very low | 34.6 | Very low | 73 Ų | 73 | 126.4 Ų | 126.4 | 75% | 0.753 | 69% | 0.687 | S | S | * | * | trans | -111.3 | 117 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 863 | M | 30.2 | Very low | 32.6 | Very low | 185 Ų | 185 | 130 Ų | 130 | 91% | 0.911 | 71% | 0.714 | S | S | * | * | trans | -153.4 | 155.5 | 163.2 | -144.5 | 69.6 | 179.6 | 0 | 0 | 107.9 | ||||
| 864 | S | 27.4 | Very low | 30.9 | Very low | 87 Ų | 87 | 130.5 Ų | 130.5 | 61% | 0.608 | 72% | 0.719 | S | S | * | * | trans | -108.4 | 171 | -167.2 | 54.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 865 | D | 27.4 | Very low | 29.3 | Very low | 137 Ų | 137 | 133.3 Ų | 133.3 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | trans | 79 | 158.9 | 154.8 | -50.1 | -51.6 | 0 | 0 | 0 | 119.8 | ||||
| 866 | I | 29.1 | Very low | 28 | Very low | 146 Ų | 146 | 137.3 Ų | 137.3 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | trans | 71.4 | 95.1 | 171.9 | -56.8 | 164.5 | 0 | 0 | 0 | 112 | ||||
| 867 | Q | 26.6 | Very low | 26.8 | Very low | 173 Ų | 173 | 143.6 Ų | 143.6 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | 53.9 | 138.3 | 93.9 | -69.8 | -177.2 | -95.6 | 0 | 0 | 113.5 | |||||
| 868 | S | 23.6 | Very low | 26 | Very low | 78 Ų | 78 | 143.1 Ų | 143.1 | 55% | 0.545 | 78% | 0.781 | S | S | . | * | cis | 167.3 | 167.5 | -13.2 | 51 | 0 | 0 | 0 | 0 | 103.6 | ||||
| 869 | D | 25.2 | Very low | 25.5 | Very low | 138 Ų | 138 | 146.9 Ų | 146.9 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | trans | 77.9 | 141.3 | 162.4 | -55.8 | -62.9 | 0 | 0 | 0 | 120.9 | ||||
| 870 | Q | 25.2 | Very low | 25.2 | Very low | 180 Ų | 180 | 145.8 Ų | 145.8 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | trans | 59.7 | 66.8 | 154.5 | -64.8 | 178.4 | 11.9 | 0 | 0 | 119.7 | E872 | Q870-E872 PolarHBondContact O-N 2.65Å; Q870-E872 VanDerWaalsContact O-N 3.13Å | ||
| 871 | K | 22.2 | Very low | 24.9 | Very low | 209 Ų | 209 | 148.7 Ų | 148.7 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | 14.6 | 85.6 | 104.8 | -172.6 | -164.6 | -178.3 | -178.3 | 0 | 115.9 | |||||
| 872 | E | 23.2 | Very low | 24.6 | Very low | 189 Ų | 189 | 146.1 Ų | 146.1 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | trans | -150.8 | 157.3 | 147.3 | -132.2 | 165.8 | -135.1 | 0 | 0 | 113 | Q870 | Q870-E872 PolarHBondContact O-N 2.65Å; Q870-E872 VanDerWaalsContact O-N 3.13Å | ||
| 873 | S | 22 | Very low | 24.4 | Very low | 96 Ų | 96 | 151.9 Ų | 151.9 | 67% | 0.671 | 77% | 0.765 | S | S | * | * | trans | -80 | 155.4 | -172.2 | 51.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 874 | I | 22.7 | Very low | 24.1 | Very low | 141 Ų | 141 | 148.1 Ų | 148.1 | 72% | 0.723 | 75% | 0.753 | S | S | * | * | -177.8 | 153.5 | 120.2 | -93.2 | 153 | 0 | 0 | 0 | 111.3 | Y876 | I874-Y876 HydrophobicContact CG2-CD2 4.39Å; I874-Y876 HydrophobicContact CG2-CE2 3.73Å | |||
| 875 | S | 23.7 | Very low | 24 | Very low | 102 Ų | 102 | 150.8 Ų | 150.8 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | trans | -95.1 | 149.6 | -176.3 | 55.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 876 | Y | 23.2 | Very low | 23.9 | Very low | 210 Ų | 210 | 150.1 Ų | 150.1 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | trans | -138.7 | 118 | 162.2 | -76.9 | -72.6 | 0 | 0 | 0 | 114.6 | I874 | I874-Y876 HydrophobicContact CG2-CD2 4.39Å; I874-Y876 HydrophobicContact CG2-CE2 3.73Å | ||
| 877 | L | 22.3 | Very low | 23.8 | Very low | 164 Ų | 164 | 149.9 Ų | 149.9 | 86% | 0.859 | 75% | 0.752 | S | S | * | * | trans | -73.8 | 153.1 | 130.7 | -86.8 | 77.1 | 0 | 0 | 0 | 107.9 | ||||
| 878 | S | 22.4 | Very low | 23.8 | Very low | 102 Ų | 102 | 146.8 Ų | 146.8 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | -161.2 | 149.3 | 125.1 | 59.1 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 879 | F | 23.9 | Very low | 24 | Very low | 219 Ų | 219 | 148.3 Ų | 148.3 | 96% | 0.961 | 74% | 0.743 | S | S | * | * | trans | -120.6 | 103.3 | 158.9 | -150.4 | -70.4 | 0 | 0 | 0 | 103.2 | ||||
| 880 | E | 23.8 | Very low | 24.2 | Very low | 178 Ų | 178 | 148.3 Ų | 148.3 | 83% | 0.832 | 74% | 0.738 | S | S | * | * | trans | -147.8 | 171.1 | -179.3 | -141.9 | 160.5 | -152.9 | 0 | 0 | 111.5 | ||||
| 881 | N | 22 | Very low | 24.2 | Very low | 141 Ų | 141 | 145.6 Ų | 145.6 | 75% | 0.754 | 73% | 0.728 | S | S | * | * | trans | -101 | 150.3 | -136.5 | -121.7 | -9.9 | 0 | 0 | 0 | 115.6 | ||||
| 882 | E | 23.8 | Very low | 24.4 | Very low | 121 Ų | 121 | 141.6 Ų | 141.6 | 57% | 0.565 | 71% | 0.713 | S | S | * | * | trans | 66.7 | 133.2 | 144.6 | -75.5 | -154.4 | 111.5 | 0 | 0 | 122.3 | ||||
| 883 | R | 22.8 | Very low | 24.5 | Very low | 194 Ų | 194 | 139.6 Ų | 139.6 | 73% | 0.732 | 70% | 0.702 | S | S | * | * | trans | 72 | 150.7 | 144.1 | -64.9 | 169.4 | -162.2 | 173.8 | 12.5 | 116.8 | ||||
| 884 | T | 24.1 | Very low | 24.7 | Very low | 106 Ų | 106 | 140.9 Ų | 140.9 | 65% | 0.65 | 70% | 0.7 | S | S | * | * | cis | -165.9 | 147.6 | -4.2 | 15.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 885 | L | 24.5 | Very low | 25 | Very low | 143 Ų | 143 | 139.8 Ų | 139.8 | 75% | 0.749 | 70% | 0.695 | S | S | * | * | trans | 61.8 | 166.4 | 161.8 | -80 | 66.1 | 0 | 0 | 0 | 112.8 | ||||
| 886 | D | 26.4 | Very low | 25.3 | Very low | 123 Ų | 123 | 140.4 Ų | 140.4 | 66% | 0.658 | 69% | 0.691 | S | S | * | * | cis | -162.1 | 160 | -22.6 | -102.1 | -5.7 | 0 | 0 | 0 | 105.2 | ||||
| 887 | E | 27.3 | Very low | 25.8 | Very low | 141 Ų | 141 | 137.1 Ų | 137.1 | 66% | 0.659 | 69% | 0.687 | S | S | * | * | cis | -158.8 | -164.7 | -0.2 | -136.1 | -175.7 | 165.8 | 0 | 0 | 107.2 | ||||
| 888 | N | 26.7 | Very low | 26.2 | Very low | 107 Ų | 107 | 135.5 Ų | 135.5 | 57% | 0.572 | 68% | 0.68 | S | S | * | * | trans | 33.2 | 126.5 | 138.1 | -63.3 | -23.5 | 0 | 0 | 0 | 119.1 | ||||
| 889 | N | 27.6 | Very low | 26.5 | Very low | 111 Ų | 111 | 136.2 Ų | 136.2 | 59% | 0.594 | 68% | 0.675 | S | S | * | * | cis | 171.4 | 167.8 | 30.1 | -101.5 | -21.9 | 0 | 0 | 0 | 105.7 | ||||
| 890 | H | 27.6 | Very low | 26.5 | Very low | 137 Ų | 137 | 132.1 Ų | 132.1 | 63% | 0.634 | 66% | 0.664 | S | S | * | * | cis | -141.5 | 144.7 | -6.3 | -97.9 | -48.4 | 0 | 0 | 0 | 104.6 | ||||
| 891 | L | 25.7 | Very low | 26.7 | Very low | 123 Ų | 123 | 131.2 Ų | 131.2 | 64% | 0.644 | 66% | 0.663 | S | S | * | * | 45.6 | 112.8 | 83.9 | -72.1 | 156.8 | 0 | 0 | 0 | 111.1 | |||||
| 892 | H | 26.3 | Very low | 26.8 | Very low | 125 Ų | 125 | 131 Ų | 131 | 58% | 0.579 | 66% | 0.661 | S | S | * | * | 170.6 | 166.5 | 79.3 | -95.3 | -43.4 | 0 | 0 | 0 | 108.3 | |||||
| 893 | F | 25.4 | Very low | 26.8 | Very low | 148 Ų | 148 | 132.3 Ų | 132.3 | 65% | 0.649 | 67% | 0.67 | S | S | * | * | cis | -164.9 | 159.7 | 8.3 | -123.9 | -33.5 | 0 | 0 | 0 | 110.3 | ||||
| 894 | I | 27.5 | Very low | 26.9 | Very low | 123 Ų | 123 | 127.3 Ų | 127.3 | 63% | 0.631 | 67% | 0.665 | S | S | * | * | trans | 53.2 | 134.8 | 138.1 | -75 | 161.3 | 0 | 0 | 0 | 119.1 | ||||
| 895 | N | 27.1 | Very low | 26.9 | Very low | 118 Ų | 118 | 130.2 Ų | 130.2 | 63% | 0.631 | 68% | 0.676 | S | S | * | * | cis | -176.7 | -177.9 | -8.2 | -108.6 | 15.2 | 0 | 0 | 0 | 105.2 | ||||
| 896 | D | 30.4 | Very low | 27 | Very low | 115 Ų | 115 | 130.2 Ų | 130.2 | 62% | 0.615 | 68% | 0.682 | S | S | * | * | cis | -153.6 | 175.9 | 0.6 | -116.1 | -28.6 | 0 | 0 | 0 | 107.4 | ||||
| 897 | D | 33.4 | Very low | 26.9 | Very low | 140 Ų | 140 | 134.9 Ų | 134.9 | 75% | 0.749 | 69% | 0.69 | S | S | * | * | trans | 59.7 | 128.6 | 153.8 | -62.8 | -7.2 | 0 | 0 | 0 | 120.8 | ||||
| 898 | D | 32.5 | Very low | 26.7 | Very low | 131 Ų | 131 | 138.4 Ų | 138.4 | 70% | 0.701 | 70% | 0.698 | S | S | * | * | cis | -155.3 | 162.2 | -16.2 | -155.8 | 6.3 | 0 | 0 | 0 | 112.3 | ||||
| 899 | N | 26.9 | Very low | 26.6 | Very low | 117 Ų | 117 | 142.1 Ų | 142.1 | 63% | 0.626 | 71% | 0.709 | S | S | * | * | trans | -20.3 | 131.5 | 171.9 | -82.1 | -75.9 | 0 | 0 | 0 | 119.8 | ||||
| 900 | N | 25.7 | Very low | 26.4 | Very low | 133 Ų | 133 | 147.7 Ų | 147.7 | 71% | 0.711 | 72% | 0.721 | S | S | * | * | 29.7 | 126.7 | 106.4 | -60.1 | -57.2 | 0 | 0 | 0 | 118 | |||||
| 901 | I | 26.1 | Very low | 26.4 | Very low | 159 Ų | 159 | 148.7 Ų | 148.7 | 82% | 0.815 | 73% | 0.731 | S | S | * | * | trans | -169.9 | 141 | 131.7 | -108.4 | 155.2 | 0 | 0 | 0 | 114.2 | ||||
| 902 | L | 25 | Very low | 26.3 | Very low | 136 Ų | 136 | 151.4 Ų | 151.4 | 71% | 0.712 | 74% | 0.74 | S | S | * | * | trans | 42.7 | 117 | 167.8 | -83.1 | 63.3 | 0 | 0 | 0 | 119.1 | ||||
| 903 | I | 24.5 | Very low | 26.4 | Very low | 149 Ų | 149 | 150.5 Ų | 150.5 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | 79.6 | 142.6 | 59.9 | -66.1 | 163.1 | 0 | 0 | 0 | 114.3 | |||||
| 904 | S | 24.7 | Very low | 26.4 | Very low | 88 Ų | 88 | 146 Ų | 146 | 62% | 0.615 | 74% | 0.741 | S | S | * | * | trans | 84.9 | 96.3 | 163.7 | 71 | 0 | 0 | 0 | 0 | 120.7 | V906 | S904-V906 PolarHBondContact O-N 2.8Š| ||
| 905 | N | 23.7 | Very low | 26.4 | Very low | 167 Ų | 167 | 145.9 Ų | 145.9 | 89% | 0.893 | 75% | 0.751 | S | S | * | * | 38.8 | 78.4 | 110.2 | -63.1 | -20 | 0 | 0 | 0 | 118.7 | |||||
| 906 | V | 27.5 | Very low | 26.4 | Very low | 144 Ų | 144 | 143.4 Ų | 143.4 | 87% | 0.873 | 74% | 0.74 | S | S | * | * | trans | -126.5 | 124 | 156.6 | -175.3 | 0 | 0 | 0 | 0 | 112.4 | S904 | S904-V906 PolarHBondContact O-N 2.8Š| ||
| 907 | R | 22.7 | Very low | 26.1 | Very low | 221 Ų | 221 | 143.1 Ų | 143.1 | 83% | 0.834 | 75% | 0.747 | S | S | * | * | trans | -68.3 | 136.3 | -176.1 | -70.8 | 168.2 | 162.4 | 162.3 | -7 | 114 | ||||
| 908 | R | 24.2 | Very low | 25.9 | Very low | 215 Ų | 215 | 140.9 Ų | 140.9 | 81% | 0.811 | 74% | 0.74 | S | S | * | * | 52.8 | 95.2 | 127.5 | -172.7 | -157.1 | -68.9 | 177.4 | -6 | 117.7 | |||||
| 909 | K | 23.5 | Very low | 25.7 | Very low | 185 Ų | 185 | 137.8 Ų | 137.8 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | trans | 179.8 | 141.8 | 139.2 | -104.7 | 154.5 | -174.9 | 174.3 | 0 | 114.2 | ||||
| 910 | R | 24.6 | Very low | 25.8 | Very low | 227 Ų | 227 | 135.1 Ų | 135.1 | 86% | 0.857 | 74% | 0.74 | S | S | * | * | trans | 69.6 | 148.7 | 166.8 | -58.8 | 163.5 | -179.1 | 158.4 | -2.5 | 114.2 | ||||
| 911 | L | 26.2 | Very low | 26.2 | Very low | 159 Ų | 159 | 136.8 Ų | 136.8 | 83% | 0.832 | 74% | 0.741 | S | S | * | * | cis | -145 | 131.7 | 2 | -135.7 | 158.4 | 0 | 0 | 0 | 109.4 | ||||
| 912 | H | 24.9 | Very low | 26.8 | Very low | 180 Ų | 180 | 134.1 Ų | 134.1 | 83% | 0.833 | 73% | 0.732 | S | S | * | * | trans | -87.3 | 145.9 | 176.8 | -69.1 | -90.5 | 0 | 0 | 0 | 111.6 | ||||
| 913 | A | 28.2 | Very low | 27.4 | Very low | 105 Ų | 105 | 130.1 Ų | 130.1 | 87% | 0.868 | 72% | 0.724 | S | S | * | * | trans | -138.7 | 100.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 914 | S | 25.4 | Very low | 28 | Very low | 55 Ų | 55 | 132.7 Ų | 132.7 | 39% | 0.385 | 72% | 0.724 | S | S | . | * | trans | -96.7 | 128 | -179.6 | 49.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 915 | S | 26.8 | Very low | 28.8 | Very low | 119 Ų | 119 | 131 Ų | 131 | 83% | 0.832 | 71% | 0.71 | S | S | * | * | trans | -102.2 | 78.7 | 176.5 | 60.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 916 | T | 26.6 | Very low | 29.4 | Very low | 67 Ų | 67 | 126.5 Ų | 126.5 | 41% | 0.411 | 70% | 0.696 | S | S | . | * | trans | -75.6 | 165.7 | 168.2 | 40.9 | 0 | 0 | 0 | 0 | 111.5 | Y307 D310 | Y307-T916 HydrophobicContact CD2-CG2 4.31Å; D310-T916 PolarHBondContact OD1-OG1 2.84Å | ||
| 917 | S | 25 | Very low | 30.1 | Very low | 108 Ų | 108 | 127.4 Ų | 127.4 | 76% | 0.755 | 68% | 0.684 | S | S | * | * | trans | -91.1 | 137.1 | -164.1 | 49.5 | 0 | 0 | 0 | 0 | 114.2 | G919 | S917-G919 VanDerWaalsContact C-N 3.34Å; S917-G919 PolarHBondContact O-N 2.87Å | ||
| 918 | P | 29.7 | Very low | 31 | Very low | 93 Ų | 93 | 121.1 Ų | 121.1 | 60% | 0.604 | 67% | 0.666 | S | S | * | * | trans | -83.2 | 74.1 | 176.8 | 33.5 | -34.8 | 0 | 0 | 0 | 111.8 | ||||
| 919 | G | 27.7 | Very low | 31.9 | Very low | 66 Ų | 66 | 112.7 Ų | 112.7 | 68% | 0.68 | 65% | 0.646 | S | S | * | * | trans | -113.1 | 126.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S917 | S917-G919 VanDerWaalsContact C-N 3.34Å; S917-G919 PolarHBondContact O-N 2.87Å | ||
| 920 | G | 28.8 | Very low | 32.6 | Very low | 62 Ų | 62 | 110 Ų | 110 | 64% | 0.639 | 64% | 0.64 | S | S | * | * | S | Bend | trans | 84 | 145.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | T922 | G920-T922 VanDerWaalsContact C-N 3.31Å; G920-T922 PolarHBondContact O-N 3.47Å; G920-T922 PolarHBondContact O-OG1 3.41Å |
| 921 | F | 34.3 | Very low | 33.5 | Very low | 167 Ų | 167 | 103.4 Ų | 103.4 | 73% | 0.732 | 63% | 0.625 | S | S | * | * | S | Bend | trans | 48.5 | -37.9 | 158 | -113.5 | -105.6 | 0 | 0 | 0 | 123 | G923 W924 | F921-G923 PolarHBondContact O-N 2.67Å; F921-W924 PolarHBondContact O-N 2.95Å |
| 922 | T | 38.8 | Very low | 34.2 | Very low | 103 Ų | 103 | 98.4 Ų | 98.4 | 63% | 0.632 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -16.7 | -165.4 | 54.9 | 0 | 0 | 0 | 0 | 115.3 | G920 W924 T925 | G920-T922 VanDerWaalsContact C-N 3.31Å; G920-T922 PolarHBondContact O-N 3.47Å; G920-T922 PolarHBondContact O-OG1 3.41Å; T922-W924 PolarHBondContact O-N 3.22Å; T922-T925 PolarHBondContact O-OG1 3.47Å |
| 923 | G | 36.6 | Very low | 35 | Very low | 53 Ų | 53 | 93.1 Ų | 93.1 | 55% | 0.546 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.4 | -12.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | F921 | F921-G923 PolarHBondContact O-N 2.67Š|
| 924 | W | 38 | Very low | 35.6 | Very low | 202 Ų | 202 | 95.6 Ų | 95.6 | 77% | 0.765 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -34.1 | -173.4 | -84.9 | 56 | 0 | 0 | 0 | 114.2 | F921 T922 A926 R927 L928 | F921-W924 PolarHBondContact O-N 2.95Å; T922-W924 PolarHBondContact O-N 3.22Å; W924-A926 PolarHBondContact O-N 3.13Å; W924-R927 PolarHBondContact O-N 2.79Å; W924-L928 PolarHBondContact O-N 2.86Å |
| 925 | T | 40.5 | Very low | 36.1 | Very low | 52 Ų | 52 | 98.3 Ų | 98.3 | 32% | 0.319 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.7 | -42.6 | -176.9 | 51.3 | 0 | 0 | 0 | 0 | 112.5 | I317 T922 R927 L928 G929 | I317-T925 HydrophobicContact CD1-CG2 4.4Å; I317-T925 WeakPolarHBondContact CD1-OG1 3.25Å; T922-T925 PolarHBondContact O-OG1 3.47Å; T925-R927 PolarHBondContact O-N 2.83Å; T925-L928 PolarHBondContact O-N 3.33Å; T925-G929 PolarHBondContact O-N 3.23Å |
| 926 | A | 37.4 | Very low | 36.6 | Very low | 73 Ų | 73 | 96.5 Ų | 96.5 | 60% | 0.603 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.4 | -23.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | W924 | W924-A926 PolarHBondContact O-N 3.13Å |
| 927 | R | 41.4 | Very low | 37.2 | Very low | 164 Ų | 164 | 99.3 Ų | 99.3 | 62% | 0.619 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -91.3 | -29.6 | 176 | -77.2 | -178.5 | 168.3 | 176.2 | -2.3 | 113.1 | W924 T925 G929 L930 T931 | W924-R927 PolarHBondContact O-N 2.79Å; T925-R927 PolarHBondContact O-N 2.83Å; R927-G929 PolarHBondContact O-N 2.87Å; R927-L930 PolarHBondContact O-N 3.2Å; R927-T931 PolarHBondContact O-N 2.85Å; R927-T931 PolarHBondContact O-OG1 3.03Å |
| 928 | L | 42.7 | Very low | 38.1 | Very low | 88 Ų | 88 | 97.1 Ų | 97.1 | 46% | 0.461 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.6 | -40.6 | 173.3 | -89.6 | 160.7 | 0 | 0 | 0 | 112.6 | W924 T925 L930 T931 A932 | W924-L928 PolarHBondContact O-N 2.86Å; T925-L928 PolarHBondContact O-N 3.33Å; L928-L930 PolarHBondContact O-N 3.49Å; L928-T931 WeakPolarHBondContact CA-OG1 3.2Å; L928-T931 PolarHBondContact O-N 2.99Å; L928-T931 PolarHBondContact O-OG1 2.88Å; L928-A932 WeakPolarHBondContact O-CB 3.28Å; L928-A932 PolarHBondContact O-N 2.97Å |
| 929 | G | 41.8 | Very low | 39 | Very low | 38 Ų | 38 | 98.3 Ų | 98.3 | 39% | 0.392 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -59.5 | -30.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | T925 R927 | T925-G929 PolarHBondContact O-N 3.23Å; R927-G929 PolarHBondContact O-N 2.87Å |
| 930 | L | 39.4 | Very low | 40 | Very low | 129 Ų | 129 | 102.6 Ų | 102.6 | 68% | 0.675 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -79.1 | -38.5 | 176 | -99.5 | 160.6 | 0 | 0 | 0 | 112.4 | R927 L928 S933 | R927-L930 PolarHBondContact O-N 3.2Å; L928-L930 PolarHBondContact O-N 3.49Å; L930-S933 PolarHBondContact O-N 3.49Å; L930-S933 PolarHBondContact O-OG 3.04Å |
| 931 | T | 42.6 | Very low | 40.6 | Very low | 89 Ų | 89 | 101 Ų | 101 | 55% | 0.546 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -70.1 | -33.3 | 176.6 | 48.8 | 0 | 0 | 0 | 0 | 113.4 | R927 L928 S933 | R927-T931 PolarHBondContact O-N 2.85Å; R927-T931 PolarHBondContact O-OG1 3.03Å; L928-T931 WeakPolarHBondContact CA-OG1 3.2Å; L928-T931 PolarHBondContact O-N 2.99Å; L928-T931 PolarHBondContact O-OG1 2.88Å; T931-S933 PolarHBondContact O-N 2.84Å |
| 932 | A | 42 | Very low | 41.1 | Very low | 54 Ų | 54 | 95.9 Ų | 95.9 | 45% | 0.446 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.6 | -28.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L928 M934 | L928-A932 WeakPolarHBondContact O-CB 3.28Å; L928-A932 PolarHBondContact O-N 2.97Å; A932-M934 VanDerWaalsContact C-N 3.25Å; A932-M934 PolarHBondContact O-N 3.48Å |
| 933 | S | 41.8 | Very low | 41.8 | Very low | 68 Ų | 68 | 94.2 Ų | 94.2 | 48% | 0.476 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.5 | -9.4 | -175.1 | 74.6 | 0 | 0 | 0 | 0 | 116 | L930 T931 | L930-S933 PolarHBondContact O-N 3.49Å; L930-S933 PolarHBondContact O-OG 3.04Å; T931-S933 PolarHBondContact O-N 2.84Å |
| 934 | M | 40 | Very low | 42.5 | Very low | 157 Ų | 157 | 96.6 Ų | 96.6 | 77% | 0.773 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.9 | -11.8 | -161.8 | -84.9 | -79.2 | 160 | 0 | 0 | 116.8 | A932 | A932-M934 VanDerWaalsContact C-N 3.25Å; A932-M934 PolarHBondContact O-N 3.48Å |
| 935 | L | 36.6 | Very low | 43.3 | Very low | 112 Ų | 112 | 91.1 Ų | 91.1 | 59% | 0.586 | 55% | 0.553 | S | S | * | * | trans | -126.7 | 44.7 | -162.4 | -80.5 | 168.7 | 0 | 0 | 0 | 116.1 | T937 | L935-T937 PolarHBondContact O-N 3.12Š| ||
| 936 | G | 36.6 | Very low | 43.9 | Very low | 82 Ų | 82 | 93.9 Ų | 93.9 | 85% | 0.845 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 27.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 937 | T | 38.8 | Very low | 44.8 | Very low | 126 Ų | 126 | 94.6 Ų | 94.6 | 77% | 0.773 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.6 | 30.7 | -171.9 | 63.3 | 0 | 0 | 0 | 0 | 116.7 | L935 | L935-T937 PolarHBondContact O-N 3.12Š|
| 938 | S | 44.3 | Very low | 45.6 | Very low | 61 Ų | 61 | 91.7 Ų | 91.7 | 43% | 0.427 | 56% | 0.555 | S | S | . | * | trans | -166.9 | 80.5 | 164 | 55.6 | 0 | 0 | 0 | 0 | 115.4 | L940 G941 C942 | S938-L940 VanDerWaalsContact C-N 3.29Å; S938-L940 PolarHBondContact O-N 3.37Å; S938-G941 PolarHBondContact O-N 3.21Å; S938-C942 PolarHBondContact O-N 2.83Å | ||
| 939 | L | 48.4 | Very low | 46.2 | Very low | 118 Ų | 118 | 91 Ų | 91 | 62% | 0.618 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.9 | -31.1 | -178.7 | -78.1 | 87.6 | 0 | 0 | 0 | 114.5 | E386 G941 S943 | E386-L939 WeakPolarHBondContact OE1-CD2 3.4Å; L939-G941 PolarHBondContact O-N 3.03Å; L939-S943 PolarHBondContact O-N 2.76Å; L939-S943 PolarHBondContact O-OG 2.95Å |
| 940 | L | 49.8 | Very low | 46.8 | Very low | 157 Ų | 157 | 92.4 Ų | 92.4 | 82% | 0.822 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -69.6 | -17.4 | 174.1 | -79.4 | 162.3 | 0 | 0 | 0 | 113.7 | S938 | S938-L940 VanDerWaalsContact C-N 3.29Å; S938-L940 PolarHBondContact O-N 3.37Å |
| 941 | G | 40.4 | Very low | 47.9 | Very low | 28 Ų | 28 | 90.3 Ų | 90.3 | 29% | 0.289 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -82.6 | -51.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S938 L939 S943 L944 V945 | S938-G941 PolarHBondContact O-N 3.21Å; L939-G941 PolarHBondContact O-N 3.03Å; G941-S943 PolarHBondContact O-N 3.27Å; G941-L944 PolarHBondContact O-N 2.68Å; G941-V945 WeakPolarHBondContact O-CG2 3.49Å; G941-V945 PolarHBondContact O-N 2.85Å |
| 942 | C | 44.4 | Very low | 48.2 | Very low | 59 Ų | 59 | 87.4 Ų | 87.4 | 40% | 0.399 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.6 | -39.4 | -177.5 | -64.2 | 0 | 0 | 0 | 0 | 112.7 | S938 V945 L946 | S938-C942 PolarHBondContact O-N 2.83Å; C942-V945 PolarHBondContact O-N 3.42Å; C942-L946 VanDerWaalsContact O-CB 3.28Å; C942-L946 WeakPolarHBondContact O-CB 3.18Å; C942-L946 VanDerWaalsContact O-CG 3.31Å; C942-L946 WeakPolarHBondContact O-CG 3.32Å; C942-L946 PolarHBondContact O-N 3.09Å |
| 943 | S | 54.1 | Low | 48.6 | Very low | 68 Ų | 68 | 90 Ų | 90 | 48% | 0.476 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 174.8 | 46.8 | 0 | 0 | 0 | 0 | 112.7 | L939 G941 L947 | L939-S943 PolarHBondContact O-N 2.76Å; L939-S943 PolarHBondContact O-OG 2.95Å; G941-S943 PolarHBondContact O-N 3.27Å; S943-L947 WeakPolarHBondContact O-CB 3.19Å; S943-L947 PolarHBondContact O-N 3.5Å |
| 944 | L | 52.2 | Low | 49 | Very low | 104 Ų | 104 | 91.3 Ų | 91.3 | 55% | 0.545 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -71.9 | -35.5 | 176.4 | -175.1 | 131.9 | 0 | 0 | 0 | 112.6 | G941 L948 | G941-L944 PolarHBondContact O-N 2.68Å; L944-L948 HydrophobicContact CD2-CD1 3.65Å; L944-L948 HydrophobicContact CG-CD1 4.27Å; L944-L948 VanDerWaalsContact O-CB 3.3Å; L944-L948 WeakPolarHBondContact O-CB 3.24Å; L944-L948 VanDerWaalsContact O-CG 3.29Å; L944-L948 WeakPolarHBondContact O-CG 3.27Å; L944-L948 PolarHBondContact O-N 3.26Å |
| 945 | V | 53.8 | Low | 49.3 | Very low | 86 Ų | 86 | 87.5 Ų | 87.5 | 52% | 0.521 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.5 | -46.2 | 173.8 | 170.9 | 0 | 0 | 0 | 0 | 111 | G941 C942 L947 L948 T949 | G941-V945 WeakPolarHBondContact O-CG2 3.49Å; G941-V945 PolarHBondContact O-N 2.85Å; C942-V945 PolarHBondContact O-N 3.42Å; V945-L947 VanDerWaalsContact C-N 3.34Å; V945-L947 PolarHBondContact O-N 2.91Å; V945-L948 CarbonylContact O-C 3.58Å; V945-L948 PolarHBondContact O-N 2.83Å; V945-L948 VanDerWaalsContact O-N 3.14Å; V945-T949 HydrophobicContact CG1-CG2 4.48Å; V945-T949 PolarHBondContact O-N 3.25Å; V945-T949 PolarHBondContact O-OG1 3.28Å |
| 946 | L | 53.1 | Low | 49.8 | Very low | 110 Ų | 110 | 88 Ų | 88 | 58% | 0.576 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.2 | -39.5 | 176.2 | -75 | 170.5 | 0 | 0 | 0 | 111.7 | C942 T949 C950 | C942-L946 VanDerWaalsContact O-CB 3.28Å; C942-L946 WeakPolarHBondContact O-CB 3.18Å; C942-L946 VanDerWaalsContact O-CG 3.31Å; C942-L946 WeakPolarHBondContact O-CG 3.32Å; C942-L946 PolarHBondContact O-N 3.09Å; L946-T949 WeakPolarHBondContact CA-OG1 3.11Å; L946-T949 PolarHBondContact O-N 2.78Å; L946-T949 PolarHBondContact O-OG1 3.31Å; L946-T949 VanDerWaalsContact O-OG1 3.07Å; L946-C950 VanDerWaalsContact O-CB 3.31Å; L946-C950 WeakPolarHBondContact O-CB 3.43Å; L946-C950 PolarHBondContact O-N 3.36Å; L946-C950 PolarHBondContact O-SG 2.87Å |
| 947 | L | 56.4 | Low | 49.9 | Very low | 89 Ų | 89 | 90.3 Ų | 90.3 | 47% | 0.466 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.2 | -39 | 172.6 | -168.4 | 104.9 | 0 | 0 | 0 | 111.5 | S943 V945 L951 | S943-L947 WeakPolarHBondContact O-CB 3.19Å; S943-L947 PolarHBondContact O-N 3.5Å; V945-L947 VanDerWaalsContact C-N 3.34Å; V945-L947 PolarHBondContact O-N 2.91Å; L947-L951 HydrophobicContact CD2-CD1 3.8Å; L947-L951 HydrophobicContact CG-CD1 4.01Å; L947-L951 HydrophobicContact CG-CG 4.46Å; L947-L951 WeakPolarHBondContact O-CB 3.4Å; L947-L951 WeakPolarHBondContact O-CG 3.36Å; L947-L951 PolarHBondContact O-N 2.92Å |
| 948 | L | 59.1 | Low | 49.9 | Very low | 103 Ų | 103 | 86.8 Ų | 86.8 | 54% | 0.539 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71.7 | -30.4 | 175 | -78.9 | 170.7 | 0 | 0 | 0 | 113.3 | L944 V945 G952 | L944-L948 HydrophobicContact CD2-CD1 3.65Å; L944-L948 HydrophobicContact CG-CD1 4.27Å; L944-L948 VanDerWaalsContact O-CB 3.3Å; L944-L948 WeakPolarHBondContact O-CB 3.24Å; L944-L948 VanDerWaalsContact O-CG 3.29Å; L944-L948 WeakPolarHBondContact O-CG 3.27Å; L944-L948 PolarHBondContact O-N 3.26Å; V945-L948 CarbonylContact O-C 3.58Å; V945-L948 PolarHBondContact O-N 2.83Å; V945-L948 VanDerWaalsContact O-N 3.14Å; L948-G952 WeakPolarHBondContact O-CA 3.29Å; L948-G952 PolarHBondContact O-N 2.9Å |
| 949 | T | 54.8 | Low | 49.4 | Very low | 72 Ų | 72 | 92.2 Ų | 92.2 | 44% | 0.442 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -78.1 | -35.1 | 172.4 | 53.2 | 0 | 0 | 0 | 0 | 111.7 | V945 L946 G952 M953 | V945-T949 HydrophobicContact CG1-CG2 4.48Å; V945-T949 PolarHBondContact O-N 3.25Å; V945-T949 PolarHBondContact O-OG1 3.28Å; L946-T949 WeakPolarHBondContact CA-OG1 3.11Å; L946-T949 PolarHBondContact O-N 2.78Å; L946-T949 PolarHBondContact O-OG1 3.31Å; L946-T949 VanDerWaalsContact O-OG1 3.07Å; T949-G952 CarbonylContact O-C 3.6Å; T949-G952 PolarHBondContact O-N 2.86Å; T949-M953 WeakPolarHBondContact O-CB 3.4Å; T949-M953 WeakPolarHBondContact O-CG 3.24Å; T949-M953 PolarHBondContact O-N 3.05Å |
| 950 | C | 54.3 | Low | 48.8 | Very low | 69 Ų | 69 | 91.2 Ų | 91.2 | 47% | 0.466 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.9 | -45.5 | 171.4 | -78 | 0 | 0 | 0 | 0 | 111.2 | L946 G952 M953 I954 | L946-C950 VanDerWaalsContact O-CB 3.31Å; L946-C950 WeakPolarHBondContact O-CB 3.43Å; L946-C950 PolarHBondContact O-N 3.36Å; L946-C950 PolarHBondContact O-SG 2.87Å; C950-G952 VanDerWaalsContact C-N 3.26Å; C950-G952 PolarHBondContact O-N 2.92Å; C950-M953 PolarHBondContact O-N 3.11Å; C950-I954 VanDerWaalsContact O-CB 3.22Å; C950-I954 WeakPolarHBondContact O-CB 3.4Å; C950-I954 WeakPolarHBondContact O-CD1 3.29Å; C950-I954 WeakPolarHBondContact O-CG1 3.45Å; C950-I954 PolarHBondContact O-N 2.97Å |
| 951 | L | 62.6 | Low | 48.1 | Very low | 85 Ų | 85 | 88.4 Ų | 88.4 | 45% | 0.445 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.8 | -34.9 | 170.4 | -72 | 169.6 | 0 | 0 | 0 | 111.3 | L947 C955 | L947-L951 HydrophobicContact CD2-CD1 3.8Å; L947-L951 HydrophobicContact CG-CD1 4.01Å; L947-L951 HydrophobicContact CG-CG 4.46Å; L947-L951 WeakPolarHBondContact O-CB 3.4Å; L947-L951 WeakPolarHBondContact O-CG 3.36Å; L947-L951 PolarHBondContact O-N 2.92Å; L951-C955 WeakPolarHBondContact O-CB 3.21Å; L951-C955 PolarHBondContact O-N 3.29Å; L951-C955 PolarHBondContact O-SG 3.01Å |
| 952 | G | 48.6 | Very low | 47.6 | Very low | 28 Ų | 28 | 93.2 Ų | 93.2 | 29% | 0.289 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.7 | -48.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L948 T949 C950 C955 L956 | L948-G952 WeakPolarHBondContact O-CA 3.29Å; L948-G952 PolarHBondContact O-N 2.9Å; T949-G952 CarbonylContact O-C 3.6Å; T949-G952 PolarHBondContact O-N 2.86Å; C950-G952 VanDerWaalsContact C-N 3.26Å; C950-G952 PolarHBondContact O-N 2.92Å; G952-C955 PolarHBondContact O-N 2.88Å; G952-L956 VanDerWaalsContact O-CB 3.27Å; G952-L956 WeakPolarHBondContact O-CB 3.42Å; G952-L956 WeakPolarHBondContact O-CD1 3.28Å; G952-L956 WeakPolarHBondContact O-CG 3.09Å; G952-L956 PolarHBondContact O-N 3.47Å |
| 953 | M | 49.5 | Very low | 46.9 | Very low | 108 Ų | 108 | 93.3 Ų | 93.3 | 53% | 0.532 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.1 | -42.3 | 177.3 | -67.1 | -111.4 | -70.5 | 0 | 0 | 111.6 | T949 C950 L956 Q957 | T949-M953 WeakPolarHBondContact O-CB 3.4Å; T949-M953 WeakPolarHBondContact O-CG 3.24Å; T949-M953 PolarHBondContact O-N 3.05Å; C950-M953 PolarHBondContact O-N 3.11Å; M953-L956 PolarHBondContact O-N 3.23Å; M953-Q957 WeakPolarHBondContact O-CB 3.16Å; M953-Q957 WeakPolarHBondContact O-CG 3.2Å; M953-Q957 PolarHBondContact O-N 3.32Å |
| 954 | I | 52 | Low | 45.9 | Very low | 96 Ų | 96 | 94.5 Ų | 94.5 | 49% | 0.492 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68 | -37.6 | 175.9 | -68.8 | 162.8 | 0 | 0 | 0 | 110.6 | C950 S958 | C950-I954 VanDerWaalsContact O-CB 3.22Å; C950-I954 WeakPolarHBondContact O-CB 3.4Å; C950-I954 WeakPolarHBondContact O-CD1 3.29Å; C950-I954 WeakPolarHBondContact O-CG1 3.45Å; C950-I954 PolarHBondContact O-N 2.97Å; I954-S958 WeakPolarHBondContact O-CA 3.42Å; I954-S958 WeakPolarHBondContact O-CB 3.23Å; I954-S958 PolarHBondContact O-N 3.45Å |
| 955 | C | 46.5 | Very low | 45 | Very low | 77 Ų | 77 | 98.9 Ų | 98.9 | 52% | 0.52 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -73.8 | -28.5 | 172.9 | -73.3 | 0 | 0 | 0 | 0 | 112.9 | L951 G952 K959 | L951-C955 WeakPolarHBondContact O-CB 3.21Å; L951-C955 PolarHBondContact O-N 3.29Å; L951-C955 PolarHBondContact O-SG 3.01Å; G952-C955 PolarHBondContact O-N 2.88Å; C955-K959 VanDerWaalsContact O-CB 3.28Å; C955-K959 WeakPolarHBondContact O-CB 3.36Å; C955-K959 WeakPolarHBondContact O-CG 3.46Å; C955-K959 PolarHBondContact O-N 2.95Å |
| 956 | L | 46.2 | Very low | 44.3 | Very low | 123 Ų | 123 | 106.1 Ų | 106.1 | 64% | 0.644 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -73.7 | -46.7 | 172.5 | -78.8 | 165.1 | 0 | 0 | 0 | 111.4 | G952 M953 K959 S960 | G952-L956 VanDerWaalsContact O-CB 3.27Å; G952-L956 WeakPolarHBondContact O-CB 3.42Å; G952-L956 WeakPolarHBondContact O-CD1 3.28Å; G952-L956 WeakPolarHBondContact O-CG 3.09Å; G952-L956 PolarHBondContact O-N 3.47Å; M953-L956 PolarHBondContact O-N 3.23Å; L956-K959 CarbonylContact O-C 3.55Å; L956-K959 PolarHBondContact O-N 2.83Å; L956-S960 VanDerWaalsContact O-CB 3.29Å; L956-S960 WeakPolarHBondContact O-CB 3.27Å; L956-S960 PolarHBondContact O-N 3.27Å |
| 957 | Q | 39.4 | Very low | 43.8 | Very low | 130 Ų | 130 | 102.9 Ų | 102.9 | 61% | 0.607 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65.2 | -40.1 | 172.6 | -74.9 | -174.8 | -67.9 | 0 | 0 | 111.4 | M953 K959 S960 S961 | M953-Q957 WeakPolarHBondContact O-CB 3.16Å; M953-Q957 WeakPolarHBondContact O-CG 3.2Å; M953-Q957 PolarHBondContact O-N 3.32Å; Q957-K959 PolarHBondContact O-N 3.33Å; Q957-S960 CarbonylContact O-C 3.48Å; Q957-S960 VanDerWaalsContact O-C 3.28Å; Q957-S960 WeakPolarHBondContact O-CA 3.35Å; Q957-S960 PolarHBondContact O-N 3.24Å; Q957-S961 WeakPolarHBondContact O-CB 3.48Å; Q957-S961 PolarHBondContact O-N 2.75Å |
| 958 | S | 37 | Very low | 43.2 | Very low | 52 Ų | 52 | 101.8 Ų | 101.8 | 36% | 0.364 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.5 | -38.8 | 173.4 | -175.5 | 0 | 0 | 0 | 0 | 111.6 | I954 S960 S961 N962 | I954-S958 WeakPolarHBondContact O-CA 3.42Å; I954-S958 WeakPolarHBondContact O-CB 3.23Å; I954-S958 PolarHBondContact O-N 3.45Å; S958-S960 VanDerWaalsContact C-N 3.26Å; S958-S960 PolarHBondContact O-N 2.97Å; S958-S961 PolarHBondContact O-N 2.71Å; S958-N962 WeakPolarHBondContact O-CA 3.16Å; S958-N962 WeakPolarHBondContact O-CB 3.46Å; S958-N962 PolarHBondContact O-N 2.93Å |
| 959 | K | 35 | Very low | 42.8 | Very low | 175 Ų | 175 | 101.4 Ų | 101.4 | 76% | 0.761 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68.1 | -21.1 | 168.5 | -85 | -172.4 | 168.8 | -176.1 | 0 | 114.3 | C955 L956 Q957 | C955-K959 VanDerWaalsContact O-CB 3.28Å; C955-K959 WeakPolarHBondContact O-CB 3.36Å; C955-K959 WeakPolarHBondContact O-CG 3.46Å; C955-K959 PolarHBondContact O-N 2.95Å; L956-K959 CarbonylContact O-C 3.55Å; L956-K959 PolarHBondContact O-N 2.83Å; Q957-K959 PolarHBondContact O-N 3.33Å |
| 960 | S | 35.6 | Very low | 42.6 | Very low | 97 Ų | 97 | 100.3 Ų | 100.3 | 68% | 0.678 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -95.3 | -3.3 | 176.1 | -169.6 | 0 | 0 | 0 | 0 | 114 | L956 Q957 S958 S963 | L956-S960 VanDerWaalsContact O-CB 3.29Å; L956-S960 WeakPolarHBondContact O-CB 3.27Å; L956-S960 PolarHBondContact O-N 3.27Å; Q957-S960 CarbonylContact O-C 3.48Å; Q957-S960 VanDerWaalsContact O-C 3.28Å; Q957-S960 WeakPolarHBondContact O-CA 3.35Å; Q957-S960 PolarHBondContact O-N 3.24Å; S958-S960 VanDerWaalsContact C-N 3.26Å; S958-S960 PolarHBondContact O-N 2.97Å; S960-S963 CarbonylContact C-O 3.58Å |
| 961 | S | 35 | Very low | 42.4 | Very low | 97 Ų | 97 | 104.9 Ų | 104.9 | 68% | 0.678 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -127.4 | -36.1 | -173.6 | -168.8 | 0 | 0 | 0 | 0 | 112.3 | Q957 S958 S963 | Q957-S961 WeakPolarHBondContact O-CB 3.48Å; Q957-S961 PolarHBondContact O-N 2.75Å; S958-S961 PolarHBondContact O-N 2.71Å; S961-S963 VanDerWaalsContact C-N 3.29Å |
| 962 | N | 30.5 | Very low | 42 | Very low | 129 Ų | 129 | 101.5 Ų | 101.5 | 69% | 0.69 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -94.8 | 21.9 | 170.9 | -71.5 | -28.8 | 0 | 0 | 0 | 112.6 | S958 | S958-N962 WeakPolarHBondContact O-CA 3.16Å; S958-N962 WeakPolarHBondContact O-CB 3.46Å; S958-N962 PolarHBondContact O-N 2.93Å |
| 963 | S | 29.4 | Very low | 42.1 | Very low | 61 Ų | 61 | 106.2 Ų | 106.2 | 43% | 0.427 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -165.5 | 135.9 | 156.5 | -81.9 | 0 | 0 | 0 | 0 | 107.4 | S960 S961 | S960-S963 CarbonylContact C-O 3.58Å; S961-S963 VanDerWaalsContact C-N 3.29Å |
| 964 | T | 33 | Very low | 42.8 | Very low | 93 Ų | 93 | 102.1 Ų | 102.1 | 57% | 0.571 | 53% | 0.527 | S | S | * | . | cis | -123.9 | 171.8 | 12.4 | 55.8 | 0 | 0 | 0 | 0 | 112.2 | R966 | T964-R966 PolarHBondContact O-N 3.2Š| ||
| 965 | K | 32.7 | Very low | 43.4 | Very low | 197 Ų | 197 | 100.2 Ų | 100.2 | 86% | 0.857 | 52% | 0.517 | S | S | * | . | trans | -49.2 | 133.2 | 147.3 | -70.7 | -174.2 | 171.1 | -166.3 | 0 | 106.9 | E967 | K965-E967 PolarHBondContact O-N 3.4Š| ||
| 966 | R | 40.3 | Very low | 44.3 | Very low | 238 Ų | 238 | 100.5 Ų | 100.5 | 90% | 0.898 | 52% | 0.517 | S | S | * | . | trans | -57.3 | 111.5 | 169.7 | -81.7 | -175.5 | 174.1 | 173.1 | -1.2 | 107.2 | T964 | T964-R966 PolarHBondContact O-N 3.2Š| ||
| 967 | E | 42.8 | Very low | 45.4 | Very low | 41 Ų | 41 | 94.8 Ų | 94.8 | 19% | 0.192 | 49% | 0.487 | C | S | . | . | trans | -65 | 142.6 | -178.3 | -69.8 | 170.3 | -158.4 | 0 | 0 | 108.8 | K965 I969 R1439 Y1448 S1451 | K965-E967 PolarHBondContact O-N 3.4Å; E967-I969 VanDerWaalsContact C-N 3.34Å; E967-I969 PolarHBondContact O-N 3.12Å; E967-R1439 IonicContact OE2-NH1 2.65Å; E967-Y1448 WeakPolarHBondContact OE1-CD2 3.46Å; E967-S1451 PolarHBondContact OE2-OG 3.44Å; E967-S1451 VanDerWaalsContact OE2-OG 3.05Å | ||
| 968 | P | 43.8 | Very low | 46.6 | Very low | 67 Ų | 67 | 92.6 Ų | 92.6 | 44% | 0.435 | 48% | 0.479 | S | S | . | . | trans | -68.2 | 95.6 | 173.3 | 28.3 | -33.3 | 0 | 0 | 0 | 108.8 | I970 E1449 R1450 | P968-I970 PolarHBondContact O-N 3.47Å; P968-I970 VanDerWaalsContact O-N 3.14Å; P968-E1449 WeakPolarHBondContact CG-O 3.48Å; P968-R1450 HydrophobicContact CG-CB 4.49Å; P968-R1450 HydrophobicContact CG-CG 4.02Å | ||
| 969 | I | 49.9 | Very low | 47.9 | Very low | 95 Ų | 95 | 90.9 Ų | 90.9 | 49% | 0.487 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 95.9 | 175.9 | -59.1 | 171.1 | 0 | 0 | 0 | 108.2 | E967 Y1437 S1451 Q1453 | E967-I969 VanDerWaalsContact C-N 3.34Å; E967-I969 PolarHBondContact O-N 3.12Å; I969-Y1437 HydrophobicContact CG2-CE1 4.26Å; I969-S1451 WeakPolarHBondContact CA-O 3.42Å; I969-Q1453 HydrophobicContact CG2-CB 4.09Å |
| 970 | I | 50.7 | Low | 49.2 | Very low | 48 Ų | 48 | 86.3 Ų | 86.3 | 25% | 0.246 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 122.9 | 171.1 | -53.7 | 179.5 | 0 | 0 | 0 | 107 | P968 V972 S1451 V1452 Q1453 | P968-I970 PolarHBondContact O-N 3.47Å; P968-I970 VanDerWaalsContact O-N 3.14Å; I970-V972 HydrophobicContact CG2-CG2 3.9Å; I970-S1451 PolarHBondContact N-O 3.24Å; I970-S1451 VanDerWaalsContact N-O 3.11Å; I970-V1452 HydrophobicContact CB-CG2 4.45Å; I970-V1452 CarbonylContact O-C 3.55Å; I970-V1452 VanDerWaalsContact O-CA 3.24Å; I970-V1452 WeakPolarHBondContact O-CA 3.27Å; I970-Q1453 PolarHBondContact O-N 3.01Å |
| 971 | R | 50.2 | Low | 49.9 | Very low | 166 Ų | 166 | 88.2 Ų | 88.2 | 63% | 0.626 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 111.8 | 167.9 | -69.9 | -174.4 | 176.6 | 171 | 5.1 | 108 | Q1453 | R971-Q1453 HydrophobicContact CG-CB 4.26Å |
| 972 | V | 53 | Low | 50.1 | Low | 13 Ų | 13 | 90.5 Ų | 90.5 | 8% | 0.079 | 46% | 0.46 | C | S | . | . | trans | -104.8 | 126 | 170.1 | 176.5 | 0 | 0 | 0 | 0 | 106.8 | I970 P974 V1452 Q1453 V1545 T1549 | I970-V972 HydrophobicContact CG2-CG2 3.9Å; V972-P974 WeakPolarHBondContact O-CD 3.21Å; V972-V1452 HydrophobicContact CB-CG1 3.7Å; V972-V1452 HydrophobicContact CG2-CG1 3.49Å; V972-V1452 VanDerWaalsContact CG2-CG1 3.49Å; V972-Q1453 PolarHBondContact N-O 2.95Å; V972-V1545 HydrophobicContact CB-CG1 4.43Å; V972-V1545 HydrophobicContact CG1-CG1 3.85Å; V972-T1549 HydrophobicContact CG1-CG2 4.24Å; V972-T1549 WeakPolarHBondContact CG2-OG1 3.4Å | ||
| 973 | L | 52.3 | Low | 50.3 | Low | 128 Ų | 128 | 90.2 Ų | 90.2 | 67% | 0.67 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -76.1 | 116.1 | 171.3 | -90.6 | 146.1 | 0 | 0 | 0 | 108 | M803 | M803-L973 HydrophobicContact CE-CB 3.8Å; M803-L973 HydrophobicContact CE-CD1 3.82Å; M803-L973 HydrophobicContact CE-CG 4.29Å; M803-L973 HydrophobicContact SD-CB 4.06Å; M803-L973 HydrophobicContact SD-CD1 3.75Å; M803-L973 HydrophobicContact SD-CD2 3.93Å; M803-L973 HydrophobicContact SD-CG 4.11Å |
| 974 | P | 62.5 | Low | 50.2 | Low | 22 Ų | 22 | 93.8 Ų | 93.8 | 14% | 0.143 | 48% | 0.482 | C | S | . | . | P | Polyproline II helix | trans | -79.6 | 152.9 | 178 | 34.7 | -36.3 | 0 | 0 | 0 | 110.6 | V972 T976 L1454 V1543 V1544 V1545 | V972-P974 WeakPolarHBondContact O-CD 3.21Å; P974-T976 HydrophobicContact CG-CG2 4.23Å; P974-T976 PolarHBondContact O-N 2.85Å; P974-L1454 WeakPolarHBondContact CD-O 3.36Å; P974-L1454 VanDerWaalsContact CG-O 3.25Å; P974-L1454 WeakPolarHBondContact CG-O 3.27Å; P974-V1543 HydrophobicContact CB-CG1 3.4Å; P974-V1543 VanDerWaalsContact CB-CG1 3.4Å; P974-V1543 HydrophobicContact CG-CG1 3.76Å; P974-V1544 WeakPolarHBondContact CA-O 3.4Å; P974-V1545 HydrophobicContact CB-CG2 4.13Å |
| 975 | L | 66.3 | Low | 50.2 | Low | 55 Ų | 55 | 95 Ų | 95 | 29% | 0.288 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 116.9 | 163.6 | 173.3 | 66.7 | 0 | 0 | 0 | 108.1 | I977 A1050 G1053 V1543 V1544 | L975-I977 HydrophobicContact CG-CG1 4.38Å; L975-A1050 WeakPolarHBondContact CD2-O 3.34Å; L975-G1053 VanDerWaalsContact CD2-N 3.32Å; L975-V1543 WeakPolarHBondContact O-CA 3.45Å; L975-V1544 HydrophobicContact CB-CB 4.18Å; L975-V1544 HydrophobicContact CD2-CB 4.28Å; L975-V1544 PolarHBondContact N-O 3.48Å; L975-V1544 PolarHBondContact O-N 3.39Å |
| 976 | T | 65.7 | Low | 50 | Low | 83 Ų | 83 | 92.8 Ų | 92.8 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 122.6 | -179.9 | 48.9 | 0 | 0 | 0 | 0 | 110.4 | P974 I1541 L1542 V1543 | P974-T976 HydrophobicContact CG-CG2 4.23Å; P974-T976 PolarHBondContact O-N 2.85Å; T976-I1541 HydrophobicContact CG2-CG2 4.44Å; T976-L1542 WeakPolarHBondContact CA-O 3.39Å; T976-V1543 HydrophobicContact CG2-CG2 4.44Å |
| 977 | I | 67.6 | Low | 49.5 | Very low | 4 Ų | 4 | 84.9 Ų | 84.9 | 2% | 0.021 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 114.1 | -177.2 | -61.2 | 175.2 | 0 | 0 | 0 | 107.8 | L975 L979 W1048 I1541 L1542 V1544 | L975-I977 HydrophobicContact CG-CG1 4.38Å; I977-L979 PolarHBondContact O-N 3.29Å; I977-W1048 HydrophobicContact CD1-CE3 4.44Å; I977-W1048 HydrophobicContact CG2-CD2 3.71Å; I977-W1048 HydrophobicContact CG2-CE3 3.44Å; I977-W1048 VanDerWaalsContact CG2-CE3 3.44Å; I977-W1048 HydrophobicContact CG2-CH2 3.63Å; I977-W1048 HydrophobicContact CG2-CZ2 3.88Å; I977-W1048 HydrophobicContact CG2-CZ3 3.4Å; I977-W1048 VanDerWaalsContact CG2-CZ3 3.4Å; I977-I1541 CarbonylContact O-C 3.5Å; I977-I1541 WeakPolarHBondContact O-CA 3.16Å; I977-L1542 HydrophobicContact CB-CB 4.4Å; I977-L1542 HydrophobicContact CB-CD2 4.46Å; I977-L1542 HydrophobicContact CD1-CD2 3.95Å; I977-L1542 PolarHBondContact N-O 3.03Å; I977-L1542 PolarHBondContact O-N 3.03Å; I977-V1544 HydrophobicContact CD1-CG2 3.95Å |
| 978 | D | 64.7 | Low | 48.8 | Very low | 84 Ų | 84 | 88.1 Ų | 88.1 | 45% | 0.449 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 119.2 | 174.6 | -77.2 | -9.9 | 0 | 0 | 0 | 110.1 | V980 I1541 | D978-V980 PolarHBondContact O-N 3.3Å; D978-I1541 WeakPolarHBondContact OD1-CD1 3.41Å; D978-I1541 WeakPolarHBondContact OD1-CG1 2.74Å |
| 979 | L | 64.8 | Low | 48.3 | Very low | 15 Ų | 15 | 94 Ų | 94 | 8% | 0.079 | 54% | 0.536 | C | S | . | . | S | Bend | trans | -80.7 | -2.3 | 176.9 | -57.5 | 174.4 | 0 | 0 | 0 | 112.8 | I977 W1004 V1028 R1540 L1542 | I977-L979 PolarHBondContact O-N 3.29Å; L979-W1004 HydrophobicContact CB-CH2 4.04Å; L979-W1004 HydrophobicContact CB-CZ2 4.07Å; L979-W1004 HydrophobicContact CD1-CD2 4.46Å; L979-W1004 HydrophobicContact CD1-CH2 4.35Å; L979-W1004 HydrophobicContact CD1-CZ2 4.04Å; L979-V1028 HydrophobicContact CD2-CG1 4.08Å; L979-R1540 WeakPolarHBondContact CB-O 3.44Å; L979-R1540 PolarHBondContact N-O 2.94Å; L979-L1542 HydrophobicContact CD1-CB 4.36Å; L979-L1542 HydrophobicContact CD2-CB 4.25Å; L979-L1542 HydrophobicContact CG-CB 4.34Å |
| 980 | V | 62.6 | Low | 47.5 | Very low | 80 Ų | 80 | 96 Ų | 96 | 49% | 0.485 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -141.3 | 104 | -177.6 | -174.8 | 0 | 0 | 0 | 0 | 110.5 | D978 N982 R1540 | D978-V980 PolarHBondContact O-N 3.3Å; V980-N982 PolarHBondContact O-N 3.47Å; V980-R1540 HydrophobicContact CG2-CG 4.24Å |
| 981 | N | 50.6 | Low | 46.6 | Very low | 137 Ų | 137 | 100.6 Ų | 100.6 | 73% | 0.733 | 57% | 0.572 | S | S | * | * | trans | -66.1 | 126.5 | 173.6 | -75 | -21.4 | 0 | 0 | 0 | 111.4 | V983 | N981-V983 PolarHBondContact O-N 3.11Å; N981-V983 VanDerWaalsContact O-N 3.08Å | ||
| 982 | N | 38.2 | Very low | 45.7 | Very low | 145 Ų | 145 | 98.9 Ų | 98.9 | 78% | 0.775 | 58% | 0.576 | S | S | * | * | trans | -67.3 | 103.9 | 175.8 | -87.3 | -52.5 | 0 | 0 | 0 | 111.3 | V980 T984 | V980-N982 PolarHBondContact O-N 3.47Å; N982-T984 PolarHBondContact O-N 2.96Å; N982-T984 VanDerWaalsContact O-N 3.15Å | ||
| 983 | V | 35.2 | Very low | 44.7 | Very low | 122 Ų | 122 | 108.8 Ų | 108.8 | 74% | 0.739 | 61% | 0.613 | S | S | * | * | trans | -74.3 | 102.1 | 175.3 | 175.6 | 0 | 0 | 0 | 0 | 109.9 | N981 T985 | N981-V983 PolarHBondContact O-N 3.11Å; N981-V983 VanDerWaalsContact O-N 3.08Å; V983-T985 HydrophobicContact CG1-CG2 3.83Å; V983-T985 PolarHBondContact O-N 2.91Å | ||
| 984 | T | 27.8 | Very low | 43.8 | Very low | 137 Ų | 137 | 108.8 Ų | 108.8 | 84% | 0.84 | 61% | 0.614 | S | S | * | * | trans | -77.5 | 96.3 | 171.3 | 51.5 | 0 | 0 | 0 | 0 | 110.6 | N982 | N982-T984 PolarHBondContact O-N 2.96Å; N982-T984 VanDerWaalsContact O-N 3.15Å | ||
| 985 | T | 32.9 | Very low | 42.2 | Very low | 117 Ų | 117 | 115.5 Ų | 115.5 | 72% | 0.718 | 64% | 0.643 | S | S | * | * | trans | -114.4 | 101.8 | 168.8 | 45.9 | 0 | 0 | 0 | 0 | 111.1 | V983 G987 | V983-T985 HydrophobicContact CG1-CG2 3.83Å; V983-T985 PolarHBondContact O-N 2.91Å; T985-G987 PolarHBondContact O-N 2.87Å | ||
| 986 | T | 27.6 | Very low | 40.4 | Very low | 151 Ų | 151 | 120.5 Ų | 120.5 | 93% | 0.926 | 67% | 0.665 | S | S | * | * | trans | -64.6 | 115.8 | 159.6 | 46 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 987 | G | 30.6 | Very low | 38.5 | Very low | 72 Ų | 72 | 123 Ų | 123 | 74% | 0.742 | 68% | 0.675 | S | S | * | * | trans | -176.8 | 120.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | T985 M989 | T985-G987 PolarHBondContact O-N 2.87Å; G987-M989 PolarHBondContact O-N 2.85Å | ||
| 988 | S | 28.3 | Very low | 36.5 | Very low | 110 Ų | 110 | 128.1 Ų | 128.1 | 77% | 0.769 | 71% | 0.71 | S | S | * | * | trans | -73.3 | 120.5 | 178.7 | 48.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 989 | M | 33.2 | Very low | 34.7 | Very low | 191 Ų | 191 | 130.2 Ų | 130.2 | 94% | 0.941 | 72% | 0.721 | S | S | * | * | trans | -134.4 | 127.6 | 153.3 | -86.5 | -167.4 | 157.2 | 0 | 0 | 109 | G987 | G987-M989 PolarHBondContact O-N 2.85Š| ||
| 990 | D | 33.2 | Very low | 33.2 | Very low | 136 Ų | 136 | 136.7 Ų | 136.7 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | -82.4 | 164.5 | -165.9 | -59.8 | -83.8 | 0 | 0 | 0 | 114.5 | ||||
| 991 | L | 31.8 | Very low | 31.9 | Very low | 145 Ų | 145 | 135.9 Ų | 135.9 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | trans | 62.9 | 133.3 | 147.2 | -71.6 | 158.3 | 0 | 0 | 0 | 120.3 | ||||
| 992 | D | 30.1 | Very low | 31.8 | Very low | 130 Ų | 130 | 131.1 Ų | 131.1 | 70% | 0.695 | 73% | 0.729 | S | S | * | * | trans | 50.9 | 107.7 | 146.2 | -52.2 | -19.6 | 0 | 0 | 0 | 119.4 | ||||
| 993 | Y | 32.6 | Very low | 32.8 | Very low | 220 Ų | 220 | 128.5 Ų | 128.5 | 86% | 0.863 | 71% | 0.712 | S | S | * | * | -166 | 161.8 | 111.6 | -116.9 | -78.5 | 0 | 0 | 0 | 113.3 | |||||
| 994 | D | 32.8 | Very low | 34.2 | Very low | 129 Ų | 129 | 124.9 Ų | 124.9 | 69% | 0.69 | 69% | 0.685 | S | S | * | * | trans | -59.5 | 134.5 | -170.9 | -60.9 | -67.3 | 0 | 0 | 0 | 116.8 | H996 | D994-H996 PolarHBondContact O-N 2.84Š| ||
| 995 | Q | 30.2 | Very low | 36.3 | Very low | 162 Ų | 162 | 119.4 Ų | 119.4 | 76% | 0.757 | 65% | 0.651 | S | S | * | * | 16 | 96.9 | 117.4 | -178.1 | -178.8 | -20.4 | 0 | 0 | 116.5 | |||||
| 996 | H | 28.2 | Very low | 38.2 | Very low | 160 Ų | 160 | 115 Ų | 115 | 74% | 0.741 | 63% | 0.625 | S | S | * | * | trans | -179.7 | 166.6 | 131.5 | -101.3 | -72 | 0 | 0 | 0 | 113.7 | D994 | D994-H996 PolarHBondContact O-N 2.84Š| ||
| 997 | D | 26.6 | Very low | 40.4 | Very low | 137 Ų | 137 | 108.1 Ų | 108.1 | 73% | 0.733 | 58% | 0.583 | S | S | * | * | trans | -42.2 | 120.8 | -172.4 | -53.8 | -87 | 0 | 0 | 0 | 119.2 | ||||
| 998 | C | 25.2 | Very low | 42.4 | Very low | 111 Ų | 111 | 106.1 Ų | 106.1 | 75% | 0.75 | 56% | 0.557 | S | S | * | * | trans | -165.2 | 98.2 | 147.1 | -108.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 999 | L | 27 | Very low | 44.2 | Very low | 128 Ų | 128 | 101.3 Ų | 101.3 | 67% | 0.67 | 53% | 0.525 | S | S | * | . | trans | -131.3 | 69.8 | 168.6 | -105.5 | 171.6 | 0 | 0 | 0 | 109.9 | ||||
| 1000 | L | 32.6 | Very low | 45.9 | Very low | 150 Ų | 150 | 93.3 Ų | 93.3 | 79% | 0.785 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -78.5 | 128 | 164.6 | -74.7 | 94 | 0 | 0 | 0 | 109 | ||
| 1001 | S | 35.6 | Very low | 47.5 | Very low | 63 Ų | 63 | 87 Ų | 87 | 44% | 0.441 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 140.3 | 169.4 | 38.9 | 0 | 0 | 0 | 0 | 110.5 | E1003 G1538 | S1001-E1003 PolarHBondContact O-N 2.82Å; S1001-G1538 VanDerWaalsContact CB-O 3.23Å; S1001-G1538 WeakPolarHBondContact CB-O 3.44Å |
| 1002 | P | 47.8 | Very low | 49 | Very low | 38 Ų | 38 | 85.7 Ų | 85.7 | 25% | 0.247 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 130.6 | 167.5 | 24.5 | -31.8 | 0 | 0 | 0 | 110.6 | ||
| 1003 | E | 58.8 | Low | 50.5 | Low | 90 Ų | 90 | 84.1 Ų | 84.1 | 42% | 0.421 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 127.6 | 165 | -68.6 | 167.1 | 139.5 | 0 | 0 | 108.2 | S1001 S1030 V1031 R1032 | S1001-E1003 PolarHBondContact O-N 2.82Å; E1003-S1030 PolarHBondContact O-OG 3.23Å; E1003-V1031 HydrophobicContact CB-CB 3.99Å; E1003-V1031 HydrophobicContact CB-CG2 4.37Å; E1003-V1031 PolarHBondContact O-N 2.88Å; E1003-R1032 IonicContact OE1-NH1 3.69Å; E1003-R1032 WeakPolarHBondContact OE2-CD 3.29Å; E1003-R1032 IonicContact OE2-CZ 3.91Å; E1003-R1032 IonicContact OE2-NE 2.77Å; E1003-R1032 IonicContact OE2-NH1 2.69Å; E1003-R1032 PolarHBondContact OE2-NH1 2.93Å |
| 1004 | W | 65 | Low | 51.7 | Low | 45 Ų | 45 | 81.3 Ų | 81.3 | 17% | 0.17 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 142.9 | 176 | -67.2 | 91.5 | 0 | 0 | 0 | 110.7 | L979 V1006 V1028 T1029 G1539 | L979-W1004 HydrophobicContact CB-CH2 4.04Å; L979-W1004 HydrophobicContact CB-CZ2 4.07Å; L979-W1004 HydrophobicContact CD1-CD2 4.46Å; L979-W1004 HydrophobicContact CD1-CH2 4.35Å; L979-W1004 HydrophobicContact CD1-CZ2 4.04Å; W1004-V1006 HydrophobicContact CB-CG2 4.49Å; W1004-V1028 HydrophobicContact CD2-CG1 4.38Å; W1004-V1028 HydrophobicContact CE3-CG1 3.45Å; W1004-V1028 VanDerWaalsContact CE3-CG1 3.45Å; W1004-V1028 HydrophobicContact CZ3-CG1 3.64Å; W1004-T1029 VanDerWaalsContact CE3-C 3.44Å; W1004-G1539 WeakPolarHBondContact CZ2-O 3.37Å; W1004-G1539 PolarHBondContact NE1-O 3.25Å |
| 1005 | T | 71.6 | Confident | 52.7 | Low | 22 Ų | 22 | 78.4 Ų | 78.4 | 14% | 0.135 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 131.8 | 164.6 | 44.3 | 0 | 0 | 0 | 0 | 108.3 | T1029 V1031 M1088 | T1005-T1029 PolarHBondContact N-O 2.81Å; T1005-T1029 PolarHBondContact O-N 2.89Å; T1005-T1029 WeakPolarHBondContact OG1-CG2 3.37Å; T1005-T1029 PolarHBondContact OG1-O 2.78Å; T1005-V1031 HydrophobicContact CG2-CG2 3.8Å; T1005-M1088 WeakPolarHBondContact O-CE 3.14Å |
| 1006 | V | 73.2 | Confident | 54.2 | Low | 26 Ų | 26 | 80.7 Ų | 80.7 | 16% | 0.158 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 134.3 | -174.6 | -179.9 | 0 | 0 | 0 | 0 | 108.5 | W1004 L1026 A1027 V1028 L1487 | W1004-V1006 HydrophobicContact CB-CG2 4.49Å; V1006-L1026 HydrophobicContact CG1-CD1 3.61Å; V1006-L1026 HydrophobicContact CG1-CG 4.28Å; V1006-A1027 CarbonylContact C-O 3.56Å; V1006-A1027 VanDerWaalsContact CA-O 3.28Å; V1006-A1027 WeakPolarHBondContact CA-O 3.48Å; V1006-V1028 HydrophobicContact CG1-CG2 4.34Å; V1006-V1028 HydrophobicContact CG2-CG1 4.26Å; V1006-V1028 HydrophobicContact CG2-CG2 4.35Å; V1006-L1487 HydrophobicContact CB-CD1 4.33Å; V1006-L1487 HydrophobicContact CG1-CD1 4.08Å; V1006-L1487 HydrophobicContact CG2-CD1 4.23Å |
| 1007 | A | 74.3 | Confident | 55.6 | Low | 5 Ų | 5 | 79.1 Ų | 79.1 | 4% | 0.041 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 151.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | A1027 M1088 F1090 L1096 | A1007-A1027 HydrophobicContact CB-CB 4.35Å; A1007-A1027 PolarHBondContact N-O 2.79Å; A1007-A1027 PolarHBondContact O-N 2.81Å; A1007-M1088 HydrophobicContact CB-CB 3.65Å; A1007-F1090 HydrophobicContact CB-CD2 3.78Å; A1007-F1090 HydrophobicContact CB-CE2 3.86Å; A1007-L1096 HydrophobicContact CB-CD1 4.08Å |
| 1008 | C | 72 | Confident | 56.9 | Low | 31 Ų | 31 | 74.8 Ų | 74.8 | 21% | 0.209 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 128.1 | -175 | -64.6 | 0 | 0 | 0 | 0 | 108.8 | T1490 I1533 | C1008-T1490 HydrophobicContact CB-CG2 3.58Å; C1008-I1533 VanDerWaalsContact SG-CD1 3.56Å |
| 1009 | G | 67.3 | Low | 57.7 | Low | 9 Ų | 9 | 74.3 Ų | 74.3 | 9% | 0.093 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | -176.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1025 T1490 | G1009-L1025 PolarHBondContact N-O 3.48Å; G1009-L1025 PolarHBondContact O-N 2.84Å; G1009-T1490 WeakPolarHBondContact O-CG2 3.41Å |
| 1010 | Q | 67.8 | Low | 59 | Low | 22 Ų | 22 | 71 Ų | 71 | 10% | 0.103 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 146 | 168.4 | -70.3 | -178.7 | -45.9 | 0 | 0 | 108.9 | H1023 T1490 G1529 | Q1010-H1023 CarbonylContact C-O 3.57Å; Q1010-H1023 VanDerWaalsContact CA-O 3.28Å; Q1010-H1023 WeakPolarHBondContact CA-O 3.31Å; Q1010-T1490 PolarHBondContact NE2-O 3.17Å; Q1010-G1529 PolarHBondContact NE2-O 3.09Å |
| 1011 | V | 66.1 | Low | 59.9 | Low | 3 Ų | 3 | 66.3 Ų | 66.3 | 2% | 0.018 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 136.2 | 167.7 | 171.4 | 0 | 0 | 0 | 0 | 109.3 | Y1013 P1022 H1023 L1025 E1111 | V1011-Y1013 HydrophobicContact CB-CD2 4.33Å; V1011-Y1013 HydrophobicContact CB-CE2 3.99Å; V1011-Y1013 HydrophobicContact CG1-CD2 3.79Å; V1011-Y1013 HydrophobicContact CG1-CE2 3.49Å; V1011-Y1013 VanDerWaalsContact CG1-CE2 3.49Å; V1011-Y1013 PolarHBondContact O-N 2.64Å; V1011-P1022 WeakPolarHBondContact O-CA 3.37Å; V1011-H1023 PolarHBondContact N-O 2.97Å; V1011-H1023 PolarHBondContact O-N 2.92Å; V1011-L1025 HydrophobicContact CB-CD1 3.72Å; V1011-L1025 HydrophobicContact CG2-CD1 3.29Å; V1011-E1111 HydrophobicContact CG1-CG 4.47Å |
| 1012 | Y | 64.5 | Low | 61.1 | Low | 119 Ų | 119 | 64.7 Ų | 64.7 | 47% | 0.467 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 82.5 | -174.3 | -70.7 | -69.8 | 0 | 0 | 0 | 111.1 | V1020 P1022 | Y1012-V1020 HydrophobicContact CD1-CG1 3.9Å; Y1012-V1020 HydrophobicContact CG-CG1 4.15Å; Y1012-P1022 HydrophobicContact CD1-CB 3.9Å; Y1012-P1022 HydrophobicContact CE1-CB 3.73Å; Y1012-P1022 HydrophobicContact CE1-CG 4.39Å |
| 1013 | Y | 61.2 | Low | 62 | Low | 96 Ų | 96 | 66.7 Ų | 66.7 | 38% | 0.376 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 147.7 | 174.2 | -77.3 | -86.7 | 0 | 0 | 0 | 111.2 | V1011 V1020 C1021 H1023 | V1011-Y1013 HydrophobicContact CB-CD2 4.33Å; V1011-Y1013 HydrophobicContact CB-CE2 3.99Å; V1011-Y1013 HydrophobicContact CG1-CD2 3.79Å; V1011-Y1013 HydrophobicContact CG1-CE2 3.49Å; V1011-Y1013 VanDerWaalsContact CG1-CE2 3.49Å; V1011-Y1013 PolarHBondContact O-N 2.64Å; Y1013-V1020 CarbonylContact O-C 3.6Å; Y1013-V1020 WeakPolarHBondContact O-CA 3.5Å; Y1013-C1021 PolarHBondContact N-O 3.26Å; Y1013-C1021 PolarHBondContact O-N 3.12Å; Y1013-H1023 HydrophobicContact CD2-CB 4.32Å; Y1013-H1023 AromaticContact CD2-CD2 3.73Å |
| 1014 | K | 57.1 | Low | 62.5 | Low | 162 Ų | 162 | 62.4 Ų | 62.4 | 70% | 0.704 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 118.6 | 164.4 | -74.8 | 178.4 | -179.9 | 176.4 | 0 | 109.2 | N1019 V1020 | K1014-N1019 CarbonylContact C-O 3.58Å; K1014-N1019 WeakPolarHBondContact CA-O 3.35Å; K1014-V1020 HydrophobicContact CG-CG2 4.06Å |
| 1015 | D | 54.8 | Low | 63 | Low | 68 Ų | 68 | 60.4 Ų | 60.4 | 36% | 0.364 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 163.6 | 165.6 | 174.2 | 42.3 | 0 | 0 | 0 | 110.5 | N1017 G1018 N1019 | D1015-N1017 PolarHBondContact O-N 2.83Å; D1015-N1017 WeakPolarHBondContact OD2-CB 3.06Å; D1015-N1017 PolarHBondContact OD2-N 3Å; D1015-N1017 PolarHBondContact OD2-ND2 2.92Å; D1015-G1018 WeakPolarHBondContact O-CA 3.48Å; D1015-G1018 PolarHBondContact O-N 2.82Å; D1015-N1019 HydrophobicContact CB-CB 4.39Å; D1015-N1019 PolarHBondContact N-O 2.78Å |
| 1016 | K | 61.9 | Low | 63.3 | Low | 209 Ų | 209 | 59.3 Ų | 59.3 | 91% | 0.909 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -31.1 | 176.5 | -65.5 | -179.8 | 178.8 | 178.9 | 0 | 112.8 | G1018 | K1016-G1018 PolarHBondContact O-N 2.9Š|
| 1017 | N | 58.1 | Low | 63.6 | Low | 128 Ų | 128 | 58.1 Ų | 58.1 | 68% | 0.684 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | 8.1 | 177.2 | -59.8 | -40.6 | 0 | 0 | 0 | 114 | D1015 N1019 | D1015-N1017 PolarHBondContact O-N 2.83Å; D1015-N1017 WeakPolarHBondContact OD2-CB 3.06Å; D1015-N1017 PolarHBondContact OD2-N 3Å; D1015-N1017 PolarHBondContact OD2-ND2 2.92Å; N1017-N1019 PolarHBondContact O-N 2.97Å |
| 1018 | G | 53.4 | Low | 63.9 | Low | 46 Ų | 46 | 57.9 Ų | 57.9 | 47% | 0.474 | 30% | 0.296 | S | S | . | . | S | Bend | trans | 75.4 | -6.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | D1015 K1016 | D1015-G1018 WeakPolarHBondContact O-CA 3.48Å; D1015-G1018 PolarHBondContact O-N 2.82Å; K1016-G1018 PolarHBondContact O-N 2.9Å |
| 1019 | N | 41.5 | Very low | 64.2 | Low | 100 Ų | 100 | 56.6 Ų | 56.6 | 54% | 0.535 | 29% | 0.287 | S | S | . | . | trans | -64.1 | 132.2 | 178.6 | -74.7 | -37.4 | 0 | 0 | 0 | 111.3 | K1014 D1015 N1017 C1021 | K1014-N1019 CarbonylContact C-O 3.58Å; K1014-N1019 WeakPolarHBondContact CA-O 3.35Å; D1015-N1019 HydrophobicContact CB-CB 4.39Å; D1015-N1019 PolarHBondContact N-O 2.78Å; N1017-N1019 PolarHBondContact O-N 2.97Å; N1019-C1021 PolarHBondContact O-N 2.78Å | ||
| 1020 | V | 55.3 | Low | 64.3 | Low | 60 Ų | 60 | 56.4 Ų | 56.4 | 36% | 0.364 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 102.7 | -179.9 | -177.9 | 0 | 0 | 0 | 0 | 109.7 | Y1012 Y1013 K1014 | Y1012-V1020 HydrophobicContact CD1-CG1 3.9Å; Y1012-V1020 HydrophobicContact CG-CG1 4.15Å; Y1013-V1020 CarbonylContact O-C 3.6Å; Y1013-V1020 WeakPolarHBondContact O-CA 3.5Å; K1014-V1020 HydrophobicContact CG-CG2 4.06Å |
| 1021 | C | 51.4 | Low | 63.9 | Low | 50 Ų | 50 | 56.6 Ų | 56.6 | 34% | 0.338 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 121.3 | -179.1 | -67.1 | 0 | 0 | 0 | 0 | 110.4 | Y1013 N1019 H1023 | Y1013-C1021 PolarHBondContact N-O 3.26Å; Y1013-C1021 PolarHBondContact O-N 3.12Å; N1019-C1021 PolarHBondContact O-N 2.78Å; C1021-H1023 PolarHBondContact O-N 3.11Å |
| 1022 | P | 60.4 | Low | 63.3 | Low | 30 Ų | 30 | 63 Ų | 63 | 20% | 0.195 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 119.7 | 171 | 28.7 | -29.5 | 0 | 0 | 0 | 110.5 | V1011 Y1012 | V1011-P1022 WeakPolarHBondContact O-CA 3.37Å; Y1012-P1022 HydrophobicContact CD1-CB 3.9Å; Y1012-P1022 HydrophobicContact CE1-CB 3.73Å; Y1012-P1022 HydrophobicContact CE1-CG 4.39Å |
| 1023 | H | 65.7 | Low | 62.1 | Low | 79 Ų | 79 | 60.5 Ų | 60.5 | 37% | 0.366 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 136.8 | 162.5 | -77.6 | -47.6 | 0 | 0 | 0 | 109.7 | Q1010 V1011 Y1013 C1021 D1051 | Q1010-H1023 CarbonylContact C-O 3.57Å; Q1010-H1023 VanDerWaalsContact CA-O 3.28Å; Q1010-H1023 WeakPolarHBondContact CA-O 3.31Å; V1011-H1023 PolarHBondContact N-O 2.97Å; V1011-H1023 PolarHBondContact O-N 2.92Å; Y1013-H1023 HydrophobicContact CD2-CB 4.32Å; Y1013-H1023 AromaticContact CD2-CD2 3.73Å; C1021-H1023 PolarHBondContact O-N 3.11Å; H1023-D1051 IonicContact CE1-OD2 2.79Å; H1023-D1051 IonicContact CG-OD2 3.45Å; H1023-D1051 IonicContact ND1-OD2 3.42Å; H1023-D1051 PolarHBondContact ND1-OD2 3.03Å |
| 1024 | G | 69.8 | Low | 61 | Low | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 135.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A1050 D1051 | G1024-A1050 WeakPolarHBondContact O-CB 3.48Å; G1024-A1050 PolarHBondContact O-N 3.04Å; G1024-D1051 WeakPolarHBondContact CA-OD1 3.45Å; G1024-D1051 PolarHBondContact N-OD1 2.83Å |
| 1025 | L | 74.7 | Confident | 59.8 | Low | 3 Ų | 3 | 64.3 Ų | 64.3 | 2% | 0.016 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 138.2 | -178.2 | -111.4 | 151.4 | 0 | 0 | 0 | 110.7 | G1009 V1011 L1047 L1056 F1090 T1490 | G1009-L1025 PolarHBondContact N-O 3.48Å; G1009-L1025 PolarHBondContact O-N 2.84Å; V1011-L1025 HydrophobicContact CB-CD1 3.72Å; V1011-L1025 HydrophobicContact CG2-CD1 3.29Å; L1025-L1047 HydrophobicContact CD2-CB 4.22Å; L1025-L1047 HydrophobicContact CD2-CD2 3.97Å; L1025-L1056 HydrophobicContact CD2-CD1 3.68Å; L1025-L1056 HydrophobicContact CG-CD1 4.15Å; L1025-F1090 HydrophobicContact CB-CE1 4.44Å; L1025-F1090 HydrophobicContact CB-CZ 4.34Å; L1025-T1490 WeakPolarHBondContact O-CG2 3.5Å |
| 1026 | L | 78 | Confident | 58.8 | Low | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 119.5 | -173.4 | -176.9 | 88.1 | 0 | 0 | 0 | 109.6 | V1006 V1028 L1047 W1048 I1533 L1542 | V1006-L1026 HydrophobicContact CG1-CD1 3.61Å; V1006-L1026 HydrophobicContact CG1-CG 4.28Å; L1026-V1028 HydrophobicContact CD2-CG2 3.45Å; L1026-V1028 VanDerWaalsContact CD2-CG2 3.45Å; L1026-V1028 HydrophobicContact CG-CG2 3.68Å; L1026-L1047 WeakPolarHBondContact O-CA 3.28Å; L1026-W1048 HydrophobicContact CB-CB 4.28Å; L1026-W1048 HydrophobicContact CD2-CB 4.18Å; L1026-W1048 HydrophobicContact CD2-CG 4.5Å; L1026-W1048 PolarHBondContact N-O 3.31Å; L1026-W1048 PolarHBondContact O-N 2.8Å; L1026-I1533 HydrophobicContact CD1-CD1 3.73Å; L1026-I1533 HydrophobicContact CD1-CG1 4.43Å; L1026-I1533 HydrophobicContact CD1-CG2 4.16Å; L1026-L1542 HydrophobicContact CD1-CD1 4.46Å; L1026-L1542 HydrophobicContact CD2-CD1 3.78Å; L1026-L1542 HydrophobicContact CD2-CD2 3.39Å; L1026-L1542 HydrophobicContact CD2-CG 4.22Å |
| 1027 | A | 81 | Confident | 57.6 | Low | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 119.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | V1006 A1007 I1045 Q1046 L1047 M1088 F1090 L1096 | V1006-A1027 CarbonylContact C-O 3.56Å; V1006-A1027 VanDerWaalsContact CA-O 3.28Å; V1006-A1027 WeakPolarHBondContact CA-O 3.48Å; A1007-A1027 HydrophobicContact CB-CB 4.35Å; A1007-A1027 PolarHBondContact N-O 2.79Å; A1007-A1027 PolarHBondContact O-N 2.81Å; A1027-I1045 HydrophobicContact CB-CG2 3.83Å; A1027-Q1046 WeakPolarHBondContact CA-O 3.35Å; A1027-L1047 HydrophobicContact CB-CD2 3.77Å; A1027-M1088 HydrophobicContact CB-CE 4.36Å; A1027-F1090 HydrophobicContact CB-CE2 3.76Å; A1027-F1090 HydrophobicContact CB-CZ 3.82Å; A1027-L1096 HydrophobicContact CB-CD1 3.82Å; A1027-L1096 HydrophobicContact CB-CD2 3.76Å; A1027-L1096 HydrophobicContact CB-CG 4.46Å |
| 1028 | V | 79.3 | Confident | 56.3 | Low | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 133.9 | -175 | -175.7 | 0 | 0 | 0 | 0 | 111.1 | L979 W1004 V1006 L1026 Q1046 L1542 | L979-V1028 HydrophobicContact CD2-CG1 4.08Å; W1004-V1028 HydrophobicContact CD2-CG1 4.38Å; W1004-V1028 HydrophobicContact CE3-CG1 3.45Å; W1004-V1028 VanDerWaalsContact CE3-CG1 3.45Å; W1004-V1028 HydrophobicContact CZ3-CG1 3.64Å; V1006-V1028 HydrophobicContact CG1-CG2 4.34Å; V1006-V1028 HydrophobicContact CG2-CG1 4.26Å; V1006-V1028 HydrophobicContact CG2-CG2 4.35Å; L1026-V1028 HydrophobicContact CD2-CG2 3.45Å; L1026-V1028 VanDerWaalsContact CD2-CG2 3.45Å; L1026-V1028 HydrophobicContact CG-CG2 3.68Å; V1028-Q1046 PolarHBondContact N-O 3.32Å; V1028-Q1046 PolarHBondContact O-N 3.35Å; V1028-L1542 HydrophobicContact CG2-CD1 4.39Å |
| 1029 | T | 78.1 | Confident | 55.2 | Low | 5 Ų | 5 | 75.2 Ų | 75.2 | 3% | 0.031 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 145.4 | 174.1 | -168.5 | 0 | 0 | 0 | 0 | 112.4 | W1004 T1005 V1044 I1045 I1085 M1088 | W1004-T1029 VanDerWaalsContact CE3-C 3.44Å; T1005-T1029 PolarHBondContact N-O 2.81Å; T1005-T1029 PolarHBondContact O-N 2.89Å; T1005-T1029 WeakPolarHBondContact OG1-CG2 3.37Å; T1005-T1029 PolarHBondContact OG1-O 2.78Å; T1029-V1044 WeakPolarHBondContact CB-O 3.49Å; T1029-V1044 PolarHBondContact OG1-O 2.93Å; T1029-I1045 HydrophobicContact CG2-CG1 4.33Å; T1029-I1085 HydrophobicContact CG2-CB 4.32Å; T1029-I1085 HydrophobicContact CG2-CD1 3.57Å; T1029-I1085 HydrophobicContact CG2-CG2 4.4Å; T1029-M1088 HydrophobicContact CG2-CE 3.7Å; T1029-M1088 HydrophobicContact CG2-SD 4.14Å |
| 1030 | S | 69.7 | Low | 55.3 | Low | 5 Ų | 5 | 79.3 Ų | 79.3 | 4% | 0.035 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 131.6 | -176.6 | -179.7 | 0 | 0 | 0 | 0 | 112 | E1003 | E1003-S1030 PolarHBondContact O-OG 3.23Å |
| 1031 | V | 60.1 | Low | 55.3 | Low | 26 Ų | 26 | 78.5 Ų | 78.5 | 16% | 0.158 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -82.8 | -29.8 | -173.3 | -173.4 | 0 | 0 | 0 | 0 | 112 | E1003 T1005 | E1003-V1031 HydrophobicContact CB-CB 3.99Å; E1003-V1031 HydrophobicContact CB-CG2 4.37Å; E1003-V1031 PolarHBondContact O-N 2.88Å; T1005-V1031 HydrophobicContact CG2-CG2 3.8Å |
| 1032 | R | 52.9 | Low | 55.6 | Low | 136 Ų | 136 | 77.6 Ų | 77.6 | 51% | 0.513 | 36% | 0.364 | S | S | . | . | trans | -150.2 | 135.4 | -176.2 | -79.6 | -171.3 | 176.8 | 124.9 | -11.1 | 114.8 | E1003 | E1003-R1032 IonicContact OE1-NH1 3.69Å; E1003-R1032 WeakPolarHBondContact OE2-CD 3.29Å; E1003-R1032 IonicContact OE2-CZ 3.91Å; E1003-R1032 IonicContact OE2-NE 2.77Å; E1003-R1032 IonicContact OE2-NH1 2.69Å; E1003-R1032 PolarHBondContact OE2-NH1 2.93Å | ||
| 1033 | S | 38.8 | Very low | 56.1 | Low | 67 Ų | 67 | 79.5 Ų | 79.5 | 47% | 0.469 | 37% | 0.37 | S | S | . | . | trans | -143.7 | 118 | 158.9 | 61.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1034 | Y | 39.2 | Very low | 56.7 | Low | 212 Ų | 212 | 77.2 Ų | 77.2 | 83% | 0.831 | 36% | 0.361 | S | S | * | . | trans | -95.9 | -1.7 | 180 | -95.9 | -79.1 | 0 | 0 | 0 | 114.4 | ||||
| 1035 | I | 32.4 | Very low | 57.4 | Low | 127 Ų | 127 | 77.2 Ų | 77.2 | 65% | 0.651 | 36% | 0.361 | S | S | * | . | trans | -76.4 | 129.6 | -177.7 | -62.5 | 172.4 | 0 | 0 | 0 | 109.7 | I1037 | I1035-I1037 HydrophobicContact CG2-CB 4.2Å; I1035-I1037 HydrophobicContact CG2-CD1 4.07Å; I1035-I1037 HydrophobicContact CG2-CG1 3.98Å; I1035-I1037 PolarHBondContact O-N 2.83Å | ||
| 1036 | R | 33.9 | Very low | 57.8 | Low | 251 Ų | 251 | 79 Ų | 79 | 95% | 0.947 | 37% | 0.369 | S | S | * | . | trans | -78.2 | 20.9 | -170.5 | -152.6 | -175.4 | -74.2 | -166 | -1.3 | 114.5 | ||||
| 1037 | I | 36.1 | Very low | 58.1 | Low | 140 Ų | 140 | 79 Ų | 79 | 72% | 0.718 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -106.7 | 107.9 | -176.5 | -56.4 | 174.4 | 0 | 0 | 0 | 108.5 | I1035 | I1035-I1037 HydrophobicContact CG2-CB 4.2Å; I1035-I1037 HydrophobicContact CG2-CD1 4.07Å; I1035-I1037 HydrophobicContact CG2-CG1 3.98Å; I1035-I1037 PolarHBondContact O-N 2.83Å |
| 1038 | K | 31.7 | Very low | 58 | Low | 194 Ų | 194 | 80.3 Ų | 80.3 | 84% | 0.843 | 38% | 0.375 | S | S | * | . | S | Bend | trans | 40.8 | 78.3 | 176.1 | -69.5 | -175.1 | 176.9 | 177.5 | 0 | 115.5 | Y1040 | K1038-Y1040 PolarHBondContact O-N 2.85Š|
| 1039 | S | 29.3 | Very low | 57.8 | Low | 94 Ų | 94 | 81 Ų | 81 | 66% | 0.657 | 38% | 0.379 | S | S | * | . | trans | -60.1 | 92.4 | -175.7 | 170.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1040 | Y | 44.1 | Very low | 57.5 | Low | 187 Ų | 187 | 80.8 Ų | 80.8 | 73% | 0.733 | 38% | 0.378 | S | S | * | . | trans | -142.8 | 113.2 | 161.3 | -70.7 | -90.9 | 0 | 0 | 0 | 109.8 | K1038 | K1038-Y1040 PolarHBondContact O-N 2.85Š| ||
| 1041 | P | 54.3 | Low | 57.4 | Low | 42 Ų | 42 | 83 Ų | 83 | 27% | 0.273 | 39% | 0.389 | S | S | . | . | S | Bend | -144.1 | -32.5 | 115.8 | 35.5 | -22.5 | 0 | 0 | 0 | 117.1 | K1043 V1044 | P1041-K1043 PolarHBondContact O-N 3.05Å; P1041-V1044 PolarHBondContact O-N 3.11Å; P1041-V1044 VanDerWaalsContact O-N 3.16Å | |
| 1042 | S | 58.1 | Low | 57.8 | Low | 31 Ų | 31 | 84.3 Ų | 84.3 | 22% | 0.217 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 3.6 | -168.6 | 178.7 | 0 | 0 | 0 | 0 | 116.9 | ||
| 1043 | K | 71.7 | Confident | 58.5 | Low | 71 Ų | 71 | 78.5 Ų | 78.5 | 31% | 0.309 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -5.2 | 178.2 | -62.2 | -178.1 | -176.5 | 178.9 | 0 | 113.5 | P1041 R1061 Y1062 F1082 | P1041-K1043 PolarHBondContact O-N 3.05Å; K1043-R1061 PolarHBondContact O-N 3.36Å; K1043-Y1062 HydrophobicContact CB-CD2 4.42Å; K1043-F1082 HydrophobicContact CD-CD1 4.47Å; K1043-F1082 HydrophobicContact CD-CE1 4.09Å; K1043-F1082 HydrophobicContact CD-CZ 4.36Å; K1043-F1082 VanDerWaalsContact CE-CZ 3.41Å; K1043-F1082 HydrophobicContact CG-CD1 4.26Å; K1043-F1082 HydrophobicContact CG-CE1 4.36Å |
| 1044 | V | 77.6 | Confident | 60 | Low | 30 Ų | 30 | 80.1 Ų | 80.1 | 18% | 0.182 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 140.8 | -173.7 | 180 | 0 | 0 | 0 | 0 | 109.6 | T1029 P1041 Q1046 D1058 L1059 | T1029-V1044 WeakPolarHBondContact CB-O 3.49Å; T1029-V1044 PolarHBondContact OG1-O 2.93Å; P1041-V1044 PolarHBondContact O-N 3.11Å; P1041-V1044 VanDerWaalsContact O-N 3.16Å; V1044-Q1046 HydrophobicContact CG1-CG 4.11Å; V1044-D1058 HydrophobicContact CG1-CB 3.56Å; V1044-L1059 WeakPolarHBondContact CA-O 3.4Å |
| 1045 | I | 84.9 | Confident | 61.7 | Low | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 123.6 | 159.2 | -55.3 | 164.3 | 0 | 0 | 0 | 106.5 | A1027 T1029 L1059 R1061 I1085 M1088 L1096 V1098 | A1027-I1045 HydrophobicContact CB-CG2 3.83Å; T1029-I1045 HydrophobicContact CG2-CG1 4.33Å; I1045-L1059 HydrophobicContact CB-CB 4.1Å; I1045-L1059 HydrophobicContact CB-CD1 4.31Å; I1045-L1059 PolarHBondContact N-O 2.03Å; I1045-L1059 WeakPolarHBondContact O-CB 3.32Å; I1045-L1059 PolarHBondContact O-N 2.91Å; I1045-R1061 HydrophobicContact CD1-CG 4.28Å; I1045-R1061 HydrophobicContact CG1-CG 4.38Å; I1045-I1085 HydrophobicContact CD1-CD1 3.79Å; I1045-I1085 HydrophobicContact CG1-CD1 3.71Å; I1045-M1088 HydrophobicContact CD1-SD 3.91Å; I1045-M1088 HydrophobicContact CG1-SD 4.27Å; I1045-M1088 HydrophobicContact CG2-CE 4.48Å; I1045-M1088 HydrophobicContact CG2-SD 4.17Å; I1045-L1096 HydrophobicContact CD1-CD2 4.13Å; I1045-L1096 HydrophobicContact CG2-CD2 4.14Å; I1045-V1098 HydrophobicContact CD1-CG1 4.3Å; I1045-V1098 HydrophobicContact CD1-CG2 3.83Å |
| 1046 | Q | 83.2 | Confident | 63.7 | Low | 41 Ų | 41 | 71.3 Ų | 71.3 | 19% | 0.192 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 124.2 | 180 | -54.1 | -156.1 | -81.7 | 0 | 0 | 109 | A1027 V1028 V1044 L1055 D1058 | A1027-Q1046 WeakPolarHBondContact CA-O 3.35Å; V1028-Q1046 PolarHBondContact N-O 3.32Å; V1028-Q1046 PolarHBondContact O-N 3.35Å; V1044-Q1046 HydrophobicContact CG1-CG 4.11Å; Q1046-L1055 HydrophobicContact CB-CD1 3.84Å; Q1046-D1058 WeakPolarHBondContact CG-OD1 3.39Å; Q1046-D1058 PolarHBondContact NE2-OD1 3.16Å |
| 1047 | L | 84.8 | Confident | 65.7 | Low | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 116.5 | 175 | -73.2 | 173.9 | 0 | 0 | 0 | 109.8 | L1025 L1026 A1027 L1056 F1057 L1059 F1090 C1110 | L1025-L1047 HydrophobicContact CD2-CB 4.22Å; L1025-L1047 HydrophobicContact CD2-CD2 3.97Å; L1026-L1047 WeakPolarHBondContact O-CA 3.28Å; A1027-L1047 HydrophobicContact CB-CD2 3.77Å; L1047-L1056 WeakPolarHBondContact O-CB 3.43Å; L1047-L1056 PolarHBondContact O-N 2.91Å; L1047-F1057 HydrophobicContact CD1-CD2 4.36Å; L1047-F1057 HydrophobicContact CD1-CE1 4.1Å; L1047-F1057 HydrophobicContact CD1-CE2 3.63Å; L1047-F1057 HydrophobicContact CD1-CZ 3.47Å; L1047-F1057 VanDerWaalsContact CD1-CZ 3.47Å; L1047-F1057 PolarHBondContact N-O 3.34Å; L1047-F1057 PolarHBondContact O-N 3.4Å; L1047-L1059 HydrophobicContact CD1-CD1 3.77Å; L1047-L1059 HydrophobicContact CD1-CG 3.9Å; L1047-L1059 HydrophobicContact CG-CD1 4.14Å; L1047-L1059 HydrophobicContact CG-CG 4.37Å; L1047-F1090 HydrophobicContact CD2-CZ 4.12Å; L1047-C1110 HydrophobicContact CD1-CB 4.06Å |
| 1048 | W | 78.7 | Confident | 67.8 | Low | 28 Ų | 28 | 58.9 Ų | 58.9 | 11% | 0.106 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 143.4 | 178.2 | -60.8 | 83.1 | 0 | 0 | 0 | 110.5 | I977 L1026 A1050 G1053 L1055 | I977-W1048 HydrophobicContact CD1-CE3 4.44Å; I977-W1048 HydrophobicContact CG2-CD2 3.71Å; I977-W1048 HydrophobicContact CG2-CE3 3.44Å; I977-W1048 VanDerWaalsContact CG2-CE3 3.44Å; I977-W1048 HydrophobicContact CG2-CH2 3.63Å; I977-W1048 HydrophobicContact CG2-CZ2 3.88Å; I977-W1048 HydrophobicContact CG2-CZ3 3.4Å; I977-W1048 VanDerWaalsContact CG2-CZ3 3.4Å; L1026-W1048 HydrophobicContact CB-CB 4.28Å; L1026-W1048 HydrophobicContact CD2-CB 4.18Å; L1026-W1048 HydrophobicContact CD2-CG 4.5Å; L1026-W1048 PolarHBondContact N-O 3.31Å; L1026-W1048 PolarHBondContact O-N 2.8Å; W1048-A1050 PolarHBondContact O-N 3.14Å; W1048-G1053 VanDerWaalsContact CE3-O 3.25Å; W1048-G1053 WeakPolarHBondContact CZ3-O 3.37Å; W1048-L1055 HydrophobicContact CD2-CB 4.15Å; W1048-L1055 HydrophobicContact CD2-CD1 3.95Å; W1048-L1055 HydrophobicContact CE3-CB 3.81Å; W1048-L1055 HydrophobicContact CE3-CD1 4.48Å; W1048-L1055 HydrophobicContact CG-CD1 4.29Å; W1048-L1055 HydrophobicContact CH2-CB 4.05Å; W1048-L1055 HydrophobicContact CZ2-CB 4.35Å; W1048-L1055 HydrophobicContact CZ2-CD1 4.06Å; W1048-L1055 HydrophobicContact CZ3-CB 3.75Å |
| 1049 | C | 75.1 | Confident | 70.3 | Confident | 13 Ų | 13 | 49.8 Ų | 49.8 | 9% | 0.088 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 115.7 | 167.8 | 178.3 | 0 | 0 | 0 | 0 | 108.9 | D1051 S1052 G1053 N1054 L1056 | C1049-D1051 PolarHBondContact O-N 3Å; C1049-S1052 WeakPolarHBondContact CB-OG 3.29Å; C1049-S1052 PolarHBondContact O-N 3.35Å; C1049-S1052 PolarHBondContact SG-OG 3.33Å; C1049-G1053 WeakPolarHBondContact O-CA 3.36Å; C1049-G1053 PolarHBondContact O-N 3.06Å; C1049-N1054 PolarHBondContact N-O 2.88Å; C1049-L1056 HydrophobicContact CB-CD1 3.98Å; C1049-L1056 HydrophobicContact CB-CD2 4.05Å; C1049-L1056 HydrophobicContact CB-CG 3.93Å |
| 1050 | A | 70.9 | Confident | 72.7 | Confident | 2 Ų | 2 | 52 Ų | 52 | 2% | 0.017 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -23.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L975 G1024 W1048 T1490 V1544 | L975-A1050 WeakPolarHBondContact CD2-O 3.34Å; G1024-A1050 WeakPolarHBondContact O-CB 3.48Å; G1024-A1050 PolarHBondContact O-N 3.04Å; W1048-A1050 PolarHBondContact O-N 3.14Å; A1050-T1490 HydrophobicContact CB-CG2 4.39Å; A1050-V1544 HydrophobicContact CB-CG1 4.27Å |
| 1051 | D | 68.7 | Low | 74.5 | Confident | 51 Ų | 51 | 43.1 Ų | 43.1 | 27% | 0.273 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -34.1 | -176.9 | -53.7 | 28.8 | 0 | 0 | 0 | 112.3 | H1023 G1024 C1049 Y1531 | H1023-D1051 IonicContact CE1-OD2 2.79Å; H1023-D1051 IonicContact CG-OD2 3.45Å; H1023-D1051 IonicContact ND1-OD2 3.42Å; H1023-D1051 PolarHBondContact ND1-OD2 3.03Å; G1024-D1051 WeakPolarHBondContact CA-OD1 3.45Å; G1024-D1051 PolarHBondContact N-OD1 2.83Å; C1049-D1051 PolarHBondContact O-N 3Å; D1051-Y1531 PolarHBondContact OD1-OH 3.37Å; D1051-Y1531 PolarHBondContact OD2-OH 2.84Å |
| 1052 | S | 67.9 | Low | 75.7 | Confident | 54 Ų | 54 | 43.4 Ų | 43.4 | 38% | 0.378 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | -14 | -173 | 67.5 | 0 | 0 | 0 | 0 | 114.9 | C1049 N1054 | C1049-S1052 WeakPolarHBondContact CB-OG 3.29Å; C1049-S1052 PolarHBondContact O-N 3.35Å; C1049-S1052 PolarHBondContact SG-OG 3.33Å; S1052-N1054 WeakPolarHBondContact CB-ND2 3.21Å; S1052-N1054 PolarHBondContact O-N 3.45Å; S1052-N1054 PolarHBondContact OG-ND2 3.38Å; S1052-N1054 VanDerWaalsContact OG-ND2 3.11Å |
| 1053 | G | 67.9 | Low | 76.4 | Confident | 13 Ų | 13 | 43.8 Ų | 43.8 | 13% | 0.134 | 23% | 0.226 | C | C | . | . | trans | 72.8 | 3.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | L975 W1048 C1049 | L975-G1053 VanDerWaalsContact CD2-N 3.32Å; W1048-G1053 VanDerWaalsContact CE3-O 3.25Å; W1048-G1053 WeakPolarHBondContact CZ3-O 3.37Å; C1049-G1053 WeakPolarHBondContact O-CA 3.36Å; C1049-G1053 PolarHBondContact O-N 3.06Å | ||
| 1054 | N | 70.3 | Confident | 76.1 | Confident | 102 Ų | 102 | 48.6 Ų | 48.6 | 55% | 0.545 | 25% | 0.25 | S | C | . | . | trans | -76.6 | 138.2 | 175.1 | -65.1 | -55.9 | 0 | 0 | 0 | 110.7 | C1049 S1052 L1056 | C1049-N1054 PolarHBondContact N-O 2.88Å; S1052-N1054 WeakPolarHBondContact CB-ND2 3.21Å; S1052-N1054 PolarHBondContact O-N 3.45Å; S1052-N1054 PolarHBondContact OG-ND2 3.38Å; S1052-N1054 VanDerWaalsContact OG-ND2 3.11Å; N1054-L1056 PolarHBondContact O-N 2.92Å | ||
| 1055 | L | 73.6 | Confident | 75.8 | Confident | 71 Ų | 71 | 52.7 Ų | 52.7 | 37% | 0.372 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 118.3 | 163.6 | -179 | 70.8 | 0 | 0 | 0 | 107.4 | Q1046 W1048 | Q1046-L1055 HydrophobicContact CB-CD1 3.84Å; W1048-L1055 HydrophobicContact CD2-CB 4.15Å; W1048-L1055 HydrophobicContact CD2-CD1 3.95Å; W1048-L1055 HydrophobicContact CE3-CB 3.81Å; W1048-L1055 HydrophobicContact CE3-CD1 4.48Å; W1048-L1055 HydrophobicContact CG-CD1 4.29Å; W1048-L1055 HydrophobicContact CH2-CB 4.05Å; W1048-L1055 HydrophobicContact CZ2-CB 4.35Å; W1048-L1055 HydrophobicContact CZ2-CD1 4.06Å; W1048-L1055 HydrophobicContact CZ3-CB 3.75Å |
| 1056 | L | 74.1 | Confident | 75.1 | Confident | 82 Ų | 82 | 53 Ų | 53 | 43% | 0.429 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | -55.3 | 177.6 | -68.2 | 166.1 | 0 | 0 | 0 | 109.5 | L1025 L1047 C1049 N1054 | L1025-L1056 HydrophobicContact CD2-CD1 3.68Å; L1025-L1056 HydrophobicContact CG-CD1 4.15Å; L1047-L1056 WeakPolarHBondContact O-CB 3.43Å; L1047-L1056 PolarHBondContact O-N 2.91Å; C1049-L1056 HydrophobicContact CB-CD1 3.98Å; C1049-L1056 HydrophobicContact CB-CD2 4.05Å; C1049-L1056 HydrophobicContact CB-CG 3.93Å; N1054-L1056 PolarHBondContact O-N 2.92Å |
| 1057 | F | 77.2 | Confident | 74.5 | Confident | 66 Ų | 66 | 53.7 Ų | 53.7 | 29% | 0.289 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.7 | 167.1 | 172.2 | 57.4 | -86.5 | 0 | 0 | 0 | 112.6 | L1047 L1059 C1110 | L1047-F1057 HydrophobicContact CD1-CD2 4.36Å; L1047-F1057 HydrophobicContact CD1-CE1 4.1Å; L1047-F1057 HydrophobicContact CD1-CE2 3.63Å; L1047-F1057 HydrophobicContact CD1-CZ 3.47Å; L1047-F1057 VanDerWaalsContact CD1-CZ 3.47Å; L1047-F1057 PolarHBondContact N-O 3.34Å; L1047-F1057 PolarHBondContact O-N 3.4Å; F1057-L1059 HydrophobicContact CD2-CD2 4.38Å; F1057-L1059 HydrophobicContact CD2-CG 4.48Å; F1057-L1059 HydrophobicContact CE2-CD2 3.67Å; F1057-L1059 HydrophobicContact CE2-CG 3.99Å; F1057-C1110 WeakPolarHBondContact CE1-O 3.36Å; F1057-C1110 VanDerWaalsContact CZ-O 3.26Å; F1057-C1110 WeakPolarHBondContact CZ-O 3.31Å |
| 1058 | D | 80.1 | Confident | 73.7 | Confident | 64 Ų | 64 | 59.2 Ų | 59.2 | 34% | 0.342 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 112.5 | 176.5 | -84.8 | -13.1 | 0 | 0 | 0 | 111.2 | V1044 Q1046 K1060 | V1044-D1058 HydrophobicContact CG1-CB 3.56Å; Q1046-D1058 WeakPolarHBondContact CG-OD1 3.39Å; Q1046-D1058 PolarHBondContact NE2-OD1 3.16Å; D1058-K1060 PolarHBondContact O-N 3.23Å |
| 1059 | L | 82.8 | Confident | 73.1 | Confident | 4 Ų | 4 | 62.5 Ų | 62.5 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 92.6 | 169.1 | -74 | 174.8 | 0 | 0 | 0 | 110.2 | V1044 I1045 L1047 F1057 R1061 L1096 W1108 G1113 | V1044-L1059 WeakPolarHBondContact CA-O 3.4Å; I1045-L1059 HydrophobicContact CB-CB 4.1Å; I1045-L1059 HydrophobicContact CB-CD1 4.31Å; I1045-L1059 PolarHBondContact N-O 2.03Å; I1045-L1059 WeakPolarHBondContact O-CB 3.32Å; I1045-L1059 PolarHBondContact O-N 2.91Å; L1047-L1059 HydrophobicContact CD1-CD1 3.77Å; L1047-L1059 HydrophobicContact CD1-CG 3.9Å; L1047-L1059 HydrophobicContact CG-CD1 4.14Å; L1047-L1059 HydrophobicContact CG-CG 4.37Å; F1057-L1059 HydrophobicContact CD2-CD2 4.38Å; F1057-L1059 HydrophobicContact CD2-CG 4.48Å; F1057-L1059 HydrophobicContact CE2-CD2 3.67Å; F1057-L1059 HydrophobicContact CE2-CG 3.99Å; L1059-R1061 PolarHBondContact O-N 3.43Å; L1059-L1096 HydrophobicContact CD1-CD2 4.06Å; L1059-W1108 HydrophobicContact CD1-CB 4.29Å; L1059-W1108 HydrophobicContact CD1-CD2 4.42Å; L1059-W1108 HydrophobicContact CD1-CE3 4.49Å; L1059-W1108 HydrophobicContact CD1-CG 4.37Å; L1059-W1108 HydrophobicContact CD2-CD2 4.36Å; L1059-W1108 HydrophobicContact CD2-CE3 3.64Å; L1059-W1108 HydrophobicContact CD2-CZ3 4.06Å; L1059-G1113 VanDerWaalsContact CD2-O 3.3Å; L1059-G1113 WeakPolarHBondContact CD2-O 3.3Å |
| 1060 | K | 81.4 | Confident | 72.8 | Confident | 141 Ų | 141 | 63.7 Ų | 63.7 | 61% | 0.613 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 89.7 | 175 | -68.9 | 170.4 | -175.9 | 167.1 | 0 | 110.2 | D1058 Y1062 S1063 | D1058-K1060 PolarHBondContact O-N 3.23Å; K1060-Y1062 PolarHBondContact O-N 2.83Å; K1060-S1063 PolarHBondContact O-N 2.9Å |
| 1061 | R | 82.3 | Confident | 72.3 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -27.4 | -175.3 | -77.5 | -174.9 | 61.9 | -136.3 | -2.3 | 114.5 | K1043 I1045 L1059 T1066 R1070 S1083 C1100 E1106 W1108 | K1043-R1061 PolarHBondContact O-N 3.36Å; I1045-R1061 HydrophobicContact CD1-CG 4.28Å; I1045-R1061 HydrophobicContact CG1-CG 4.38Å; L1059-R1061 PolarHBondContact O-N 3.43Å; R1061-T1066 PolarHBondContact O-OG1 2.84Å; R1061-R1070 PolarHBondContact O-NH1 2.77Å; R1061-R1070 PolarHBondContact O-NH2 2.92Å; R1061-S1083 PolarHBondContact NH1-O 3.32Å; R1061-S1083 PolarHBondContact NH2-OG 2.91Å; R1061-S1083 VanDerWaalsContact NH2-OG 3.13Å; R1061-C1100 PolarHBondContact NH2-SG 3.04Å; R1061-C1100 VanDerWaalsContact NH2-SG 3.41Å; R1061-E1106 IonicContact CZ-OE1 2.7Å; R1061-E1106 IonicContact CZ-OE2 3.87Å; R1061-E1106 IonicContact NE-OE1 2.75Å; R1061-E1106 PolarHBondContact NE-OE1 2.92Å; R1061-E1106 IonicContact NE-OE2 2.69Å; R1061-E1106 PolarHBondContact NE-OE2 3.28Å; R1061-E1106 VanDerWaalsContact NH2-CD 3.34Å; R1061-E1106 IonicContact NH2-OE1 3.57Å; R1061-E1106 PolarHBondContact NH2-OE1 2.89Å; R1061-E1106 IonicContact NH2-OE2 3.84Å; R1061-W1108 HydrophobicContact CB-CZ2 4.26Å; R1061-W1108 HydrophobicContact CG-CH2 4.44Å; R1061-W1108 HydrophobicContact CG-CZ2 3.83Å |
| 1062 | Y | 79 | Confident | 71.9 | Confident | 47 Ų | 47 | 74.4 Ų | 74.4 | 18% | 0.184 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.7 | 37.6 | -174.8 | -61.2 | -91.9 | 0 | 0 | 0 | 113.1 | K1043 K1060 N1067 F1082 S1083 | K1043-Y1062 HydrophobicContact CB-CD2 4.42Å; K1060-Y1062 PolarHBondContact O-N 2.83Å; Y1062-N1067 PolarHBondContact O-ND2 3.32Å; Y1062-F1082 AromaticContact CD1-CD1 3.96Å; Y1062-F1082 HydrophobicContact CD1-CD1 3.96Å; Y1062-F1082 HydrophobicContact CD1-CE1 4.18Å; Y1062-F1082 AromaticContact CD2-CD1 3.86Å; Y1062-F1082 HydrophobicContact CD2-CD1 3.86Å; Y1062-F1082 HydrophobicContact CD2-CE1 4.29Å; Y1062-F1082 AromaticContact CE1-CD1 3.91Å; Y1062-F1082 HydrophobicContact CE1-CD1 3.91Å; Y1062-F1082 AromaticContact CE2-CD1 3.85Å; Y1062-F1082 HydrophobicContact CE2-CD1 3.85Å; Y1062-F1082 AromaticContact CG-CD1 3.94Å; Y1062-F1082 HydrophobicContact CG-CD1 3.94Å; Y1062-F1082 HydrophobicContact CG-CE1 4.04Å; Y1062-F1082 AromaticContact CZ-CD1 3.87Å; Y1062-S1083 PolarHBondContact OH-N 3.09Å; Y1062-S1083 PolarHBondContact OH-OG 3.48Å |
| 1063 | S | 72 | Confident | 71.5 | Confident | 39 Ų | 39 | 73.4 Ų | 73.4 | 27% | 0.273 | 37% | 0.366 | S | S | . | . | trans | -62 | 163.8 | 166.4 | 67.6 | 0 | 0 | 0 | 0 | 112.4 | K1060 E1065 T1066 N1067 | K1060-S1063 PolarHBondContact O-N 2.9Å; S1063-E1065 PolarHBondContact O-N 3.4Å; S1063-T1066 PolarHBondContact N-OG1 2.95Å; S1063-T1066 PolarHBondContact O-N 3.37Å; S1063-T1066 PolarHBondContact O-OG1 2.89Å; S1063-T1066 WeakPolarHBondContact OG-CB 3.37Å; S1063-T1066 WeakPolarHBondContact OG-CG2 3.28Å; S1063-T1066 PolarHBondContact OG-N 2.87Å; S1063-T1066 PolarHBondContact OG-OG1 3.22Å; S1063-N1067 WeakPolarHBondContact O-CB 3.4Å; S1063-N1067 PolarHBondContact O-N 2.89Å; S1063-N1067 PolarHBondContact O-ND2 2.66Å | ||
| 1064 | E | 66.4 | Low | 71.1 | Confident | 173 Ų | 173 | 75.3 Ų | 75.3 | 81% | 0.808 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -61.8 | -43.2 | 179.2 | -61.3 | -164.4 | 136.1 | 0 | 0 | 112.4 | T1066 N1067 I1068 | E1064-T1066 PolarHBondContact O-N 2.9Å; E1064-N1067 CarbonylContact O-C 3.55Å; E1064-N1067 PolarHBondContact O-N 2.85Å; E1064-I1068 WeakPolarHBondContact O-CG1 3.49Å; E1064-I1068 PolarHBondContact O-N 2.93Å |
| 1065 | E | 70.4 | Confident | 70.1 | Confident | 116 Ų | 116 | 75.7 Ų | 75.7 | 54% | 0.542 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -53.8 | -48.1 | 172.8 | -63.6 | 176.6 | -169.7 | 0 | 0 | 112.9 | S1063 N1067 I1068 K1069 H1114 | S1063-E1065 PolarHBondContact O-N 3.4Å; E1065-N1067 VanDerWaalsContact C-N 3.3Å; E1065-N1067 PolarHBondContact O-N 3.2Å; E1065-I1068 WeakPolarHBondContact O-CB 3.49Å; E1065-I1068 PolarHBondContact O-N 2.81Å; E1065-I1068 VanDerWaalsContact O-N 3.12Å; E1065-K1069 PolarHBondContact O-N 3.45Å; E1065-H1114 IonicContact OE2-CE1 3.9Å; E1065-H1114 PolarHBondContact OE2-CE1 3.36Å; E1065-H1114 IonicContact OE2-ND1 2.67Å; E1065-H1114 PolarHBondContact OE2-ND1 2.87Å; E1065-H1114 VanDerWaalsContact OE2-ND1 3.11Å |
| 1066 | T | 70.6 | Confident | 69 | Low | 6 Ų | 6 | 76.8 Ų | 76.8 | 4% | 0.037 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -74.9 | -25.4 | -177 | 59.8 | 0 | 0 | 0 | 0 | 111.5 | R1061 S1063 E1064 K1069 R1070 W1108 L1115 | R1061-T1066 PolarHBondContact O-OG1 2.84Å; S1063-T1066 PolarHBondContact N-OG1 2.95Å; S1063-T1066 PolarHBondContact O-N 3.37Å; S1063-T1066 PolarHBondContact O-OG1 2.89Å; S1063-T1066 WeakPolarHBondContact OG-CB 3.37Å; S1063-T1066 WeakPolarHBondContact OG-CG2 3.28Å; S1063-T1066 PolarHBondContact OG-N 2.87Å; S1063-T1066 PolarHBondContact OG-OG1 3.22Å; E1064-T1066 PolarHBondContact O-N 2.9Å; T1066-K1069 PolarHBondContact O-N 3.41Å; T1066-R1070 PolarHBondContact O-N 3.17Å; T1066-R1070 PolarHBondContact O-NH1 2.92Å; T1066-W1108 HydrophobicContact CG2-CH2 3.58Å; T1066-W1108 HydrophobicContact CG2-CZ3 3.9Å; T1066-L1115 HydrophobicContact CG2-CB 3.96Å; T1066-L1115 HydrophobicContact CG2-CD2 4.28Å |
| 1067 | N | 70 | Confident | 68 | Low | 56 Ų | 56 | 73.8 Ų | 73.8 | 30% | 0.299 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -72.3 | -26.6 | 168.7 | -67.3 | -34.5 | 0 | 0 | 0 | 112.5 | Y1062 S1063 E1064 E1065 K1071 | Y1062-N1067 PolarHBondContact O-ND2 3.32Å; S1063-N1067 WeakPolarHBondContact O-CB 3.4Å; S1063-N1067 PolarHBondContact O-N 2.89Å; S1063-N1067 PolarHBondContact O-ND2 2.66Å; E1064-N1067 CarbonylContact O-C 3.55Å; E1064-N1067 PolarHBondContact O-N 2.85Å; E1065-N1067 VanDerWaalsContact C-N 3.3Å; E1065-N1067 PolarHBondContact O-N 3.2Å; N1067-K1071 VanDerWaalsContact O-CG 3.29Å; N1067-K1071 WeakPolarHBondContact O-CG 3.23Å; N1067-K1071 PolarHBondContact O-N 3.04Å; N1067-K1071 VanDerWaalsContact O-N 3.11Å |
| 1068 | I | 67.9 | Low | 66.5 | Low | 115 Ų | 115 | 74.1 Ų | 74.1 | 59% | 0.59 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -65.6 | -49.8 | 168.5 | -63.6 | 167.5 | 0 | 0 | 0 | 109.4 | E1064 E1065 R1070 K1071 | E1064-I1068 WeakPolarHBondContact O-CG1 3.49Å; E1064-I1068 PolarHBondContact O-N 2.93Å; E1065-I1068 WeakPolarHBondContact O-CB 3.49Å; E1065-I1068 PolarHBondContact O-N 2.81Å; E1065-I1068 VanDerWaalsContact O-N 3.12Å; I1068-R1070 VanDerWaalsContact C-N 3.28Å; I1068-R1070 PolarHBondContact O-N 3.31Å; I1068-K1071 WeakPolarHBondContact O-CB 3.03Å; I1068-K1071 PolarHBondContact O-N 3.4Å |
| 1069 | K | 67.6 | Low | 64.8 | Low | 97 Ų | 97 | 76.3 Ų | 76.3 | 42% | 0.422 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.5 | -28.1 | 175.7 | -76.1 | -166.5 | 174.8 | -175 | 0 | 114.1 | E1065 T1066 S1072 L1115 L1116 | E1065-K1069 PolarHBondContact O-N 3.45Å; T1066-K1069 PolarHBondContact O-N 3.41Å; K1069-S1072 PolarHBondContact O-OG 2.86Å; K1069-L1115 HydrophobicContact CB-CD2 3.94Å; K1069-L1115 HydrophobicContact CD-CD2 4.12Å; K1069-L1115 HydrophobicContact CD-CG 4.36Å; K1069-L1115 PolarHBondContact NZ-O 2.82Å; K1069-L1116 PolarHBondContact NZ-O 3.13Å |
| 1070 | R | 68 | Low | 63.3 | Low | 39 Ų | 39 | 83.8 Ų | 83.8 | 15% | 0.147 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -79.5 | -18.1 | 171.9 | -74.3 | -168.9 | -160 | 82.8 | -4.8 | 114.8 | R1061 T1066 I1068 S1072 L1073 E1106 I1118 | R1061-R1070 PolarHBondContact O-NH1 2.77Å; R1061-R1070 PolarHBondContact O-NH2 2.92Å; T1066-R1070 PolarHBondContact O-N 3.17Å; T1066-R1070 PolarHBondContact O-NH1 2.92Å; I1068-R1070 VanDerWaalsContact C-N 3.28Å; I1068-R1070 PolarHBondContact O-N 3.31Å; R1070-S1072 PolarHBondContact O-N 3.24Å; R1070-L1073 PolarHBondContact O-N 2.84Å; R1070-E1106 IonicContact CZ-OE1 3.73Å; R1070-E1106 IonicContact NE-OE1 3.35Å; R1070-E1106 PolarHBondContact NE-OE1 3.19Å; R1070-E1106 VanDerWaalsContact NH2-CD 3.32Å; R1070-E1106 IonicContact NH2-OE1 3.92Å; R1070-E1106 PolarHBondContact NH2-OE1 2.97Å; R1070-E1106 IonicContact NH2-OE2 2.72Å; R1070-E1106 PolarHBondContact NH2-OE2 3Å; R1070-I1118 HydrophobicContact CG-CD1 3.4Å |
| 1071 | K | 59.4 | Low | 62.3 | Low | 176 Ų | 176 | 86.3 Ų | 86.3 | 77% | 0.765 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -70.7 | -16.6 | 176.2 | -81.3 | 168.6 | -177.6 | 178.1 | 0 | 113.6 | N1067 I1068 | N1067-K1071 VanDerWaalsContact O-CG 3.29Å; N1067-K1071 WeakPolarHBondContact O-CG 3.23Å; N1067-K1071 PolarHBondContact O-N 3.04Å; N1067-K1071 VanDerWaalsContact O-N 3.11Å; I1068-K1071 WeakPolarHBondContact O-CB 3.03Å; I1068-K1071 PolarHBondContact O-N 3.4Å |
| 1072 | S | 61.6 | Low | 61.7 | Low | 102 Ų | 102 | 91.4 Ų | 91.4 | 71% | 0.713 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -0.7 | 173.4 | 47.5 | 0 | 0 | 0 | 0 | 114.6 | K1069 R1070 | K1069-S1072 PolarHBondContact O-OG 2.86Å; R1070-S1072 PolarHBondContact O-N 3.24Å |
| 1073 | L | 59.8 | Low | 61.6 | Low | 32 Ų | 32 | 89.4 Ų | 89.4 | 17% | 0.168 | 48% | 0.476 | C | S | . | . | S | Bend | trans | -76.3 | 154 | 178.4 | -113.6 | 69.2 | 0 | 0 | 0 | 112.5 | R1070 A1077 T1104 I1118 | R1070-L1073 PolarHBondContact O-N 2.84Å; L1073-A1077 HydrophobicContact CD2-CB 4.06Å; L1073-T1104 HydrophobicContact CD2-CG2 3.76Å; L1073-I1118 HydrophobicContact CD1-CB 3.93Å; L1073-I1118 HydrophobicContact CD1-CD1 4.42Å; L1073-I1118 HydrophobicContact CD1-CG2 3.96Å; L1073-I1118 HydrophobicContact CD2-CG2 3.84Å |
| 1074 | P | 58.5 | Low | 61.8 | Low | 54 Ų | 54 | 89.7 Ų | 89.7 | 35% | 0.351 | 48% | 0.476 | S | S | . | . | trans | -56.2 | 141.9 | 174.8 | -25.5 | 35.5 | 0 | 0 | 0 | 112.9 | S1076 A1077 A1078 | P1074-S1076 PolarHBondContact O-N 3.22Å; P1074-A1077 PolarHBondContact O-N 3.26Å; P1074-A1078 PolarHBondContact O-N 3.45Å | ||
| 1075 | S | 50.2 | Low | 62.6 | Low | 109 Ų | 109 | 81.6 Ų | 81.6 | 76% | 0.762 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -17.4 | -171.5 | 54.7 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1076 | S | 50.4 | Low | 63.1 | Low | 94 Ų | 94 | 81.1 Ų | 81.1 | 66% | 0.657 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -32.5 | 171.6 | 47.9 | 0 | 0 | 0 | 0 | 113.6 | P1074 | P1074-S1076 PolarHBondContact O-N 3.22Š|
| 1077 | A | 51.6 | Low | 63.6 | Low | 20 Ų | 20 | 81.8 Ų | 81.8 | 17% | 0.165 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -39.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1073 P1074 C1079 T1104 | L1073-A1077 HydrophobicContact CD2-CB 4.06Å; P1074-A1077 PolarHBondContact O-N 3.26Å; A1077-C1079 PolarHBondContact O-N 3.18Å; A1077-T1104 HydrophobicContact CB-CG2 4.3Å |
| 1078 | A | 47.5 | Very low | 64.3 | Low | 72 Ų | 72 | 80 Ų | 80 | 60% | 0.595 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -10.3 | -175 | 0 | 0 | 0 | 0 | 0 | 115.7 | P1074 | P1074-A1078 PolarHBondContact O-N 3.45Š|
| 1079 | C | 43.5 | Very low | 65 | Low | 110 Ų | 110 | 76.8 Ų | 76.8 | 74% | 0.743 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -7.2 | -170.5 | -160.9 | 0 | 0 | 0 | 0 | 115.3 | A1077 | A1077-C1079 PolarHBondContact O-N 3.18Š|
| 1080 | R | 52.2 | Low | 65.6 | Low | 162 Ų | 162 | 72.9 Ų | 72.9 | 61% | 0.611 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -99 | 116.4 | 178.5 | -71.8 | -176.7 | 174.9 | 177.7 | 0.2 | 110.9 | F1082 S1101 | R1080-F1082 VanDerWaalsContact C-N 3.28Å; R1080-F1082 PolarHBondContact O-N 2.88Å; R1080-F1082 VanDerWaalsContact O-N 3.13Å; R1080-S1101 PolarHBondContact NH1-O 2.96Å; R1080-S1101 VanDerWaalsContact NH1-O 3.12Å |
| 1081 | K | 58.8 | Low | 66.1 | Low | 193 Ų | 193 | 71.1 Ų | 71.1 | 84% | 0.839 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -57.4 | -30.9 | -169 | -91.2 | -177 | 172.5 | 177.6 | 0 | 115.7 | ||
| 1082 | F | 70.2 | Confident | 66.5 | Low | 108 Ų | 108 | 64.3 Ų | 64.3 | 47% | 0.474 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -150.7 | 134.9 | 164.9 | -59.3 | -73.6 | 0 | 0 | 0 | 108 | K1043 Y1062 R1080 | K1043-F1082 HydrophobicContact CD-CD1 4.47Å; K1043-F1082 HydrophobicContact CD-CE1 4.09Å; K1043-F1082 HydrophobicContact CD-CZ 4.36Å; K1043-F1082 VanDerWaalsContact CE-CZ 3.41Å; K1043-F1082 HydrophobicContact CG-CD1 4.26Å; K1043-F1082 HydrophobicContact CG-CE1 4.36Å; Y1062-F1082 AromaticContact CD1-CD1 3.96Å; Y1062-F1082 HydrophobicContact CD1-CD1 3.96Å; Y1062-F1082 HydrophobicContact CD1-CE1 4.18Å; Y1062-F1082 AromaticContact CD2-CD1 3.86Å; Y1062-F1082 HydrophobicContact CD2-CD1 3.86Å; Y1062-F1082 HydrophobicContact CD2-CE1 4.29Å; Y1062-F1082 AromaticContact CE1-CD1 3.91Å; Y1062-F1082 HydrophobicContact CE1-CD1 3.91Å; Y1062-F1082 AromaticContact CE2-CD1 3.85Å; Y1062-F1082 HydrophobicContact CE2-CD1 3.85Å; Y1062-F1082 AromaticContact CG-CD1 3.94Å; Y1062-F1082 HydrophobicContact CG-CD1 3.94Å; Y1062-F1082 HydrophobicContact CG-CE1 4.04Å; Y1062-F1082 AromaticContact CZ-CD1 3.87Å; R1080-F1082 VanDerWaalsContact C-N 3.28Å; R1080-F1082 PolarHBondContact O-N 2.88Å; R1080-F1082 VanDerWaalsContact O-N 3.13Å |
| 1083 | S | 76.6 | Confident | 66.9 | Low | 5 Ų | 5 | 62.7 Ų | 62.7 | 4% | 0.035 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -95 | 133.2 | 171.7 | 61.9 | 0 | 0 | 0 | 0 | 111.5 | R1061 Y1062 D1102 | R1061-S1083 PolarHBondContact NH1-O 3.32Å; R1061-S1083 PolarHBondContact NH2-OG 2.91Å; R1061-S1083 VanDerWaalsContact NH2-OG 3.13Å; Y1062-S1083 PolarHBondContact OH-N 3.09Å; Y1062-S1083 PolarHBondContact OH-OG 3.48Å; S1083-D1102 WeakPolarHBondContact CB-OD2 3.49Å; S1083-D1102 PolarHBondContact OG-OD2 2.93Å |
| 1084 | T | 77.2 | Confident | 67.5 | Low | 44 Ų | 44 | 61.2 Ų | 61.2 | 27% | 0.27 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 148.4 | 170.8 | 56.8 | 0 | 0 | 0 | 0 | 110.4 | W1086 S1101 | T1084-W1086 PolarHBondContact OG1-NE1 3.08Å; T1084-S1101 PolarHBondContact N-OG 3.39Å; T1084-S1101 VanDerWaalsContact O-CB 3.31Å; T1084-S1101 WeakPolarHBondContact O-CB 3.4Å; T1084-S1101 PolarHBondContact O-N 3.5Å; T1084-S1101 PolarHBondContact O-OG 2.84Å; T1084-S1101 WeakPolarHBondContact OG1-CB 3.21Å; T1084-S1101 PolarHBondContact OG1-OG 2.96Å |
| 1085 | I | 83.1 | Confident | 68.6 | Low | 4 Ų | 4 | 58.9 Ų | 58.9 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 138.1 | 173.6 | -63.2 | 165 | 0 | 0 | 0 | 107.9 | T1029 I1045 M1088 V1098 | T1029-I1085 HydrophobicContact CG2-CB 4.32Å; T1029-I1085 HydrophobicContact CG2-CD1 3.57Å; T1029-I1085 HydrophobicContact CG2-CG2 4.4Å; I1045-I1085 HydrophobicContact CD1-CD1 3.79Å; I1045-I1085 HydrophobicContact CG1-CD1 3.71Å; I1085-M1088 HydrophobicContact CD1-SD 4.36Å; I1085-M1088 HydrophobicContact CG2-CG 3.57Å; I1085-M1088 HydrophobicContact CG2-SD 4.05Å; I1085-V1098 HydrophobicContact CB-CG1 4.34Å; I1085-V1098 HydrophobicContact CD1-CG1 3.83Å; I1085-V1098 HydrophobicContact CG1-CG1 3.64Å; I1085-V1098 HydrophobicContact CG2-CG1 3.83Å |
| 1086 | W | 80.3 | Confident | 70.3 | Confident | 106 Ų | 106 | 53.7 Ų | 53.7 | 40% | 0.402 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | -32.4 | 177.5 | -74 | -4.2 | 0 | 0 | 0 | 112.3 | T1084 G1099 S1101 G1150 I1151 T1152 | T1084-W1086 PolarHBondContact OG1-NE1 3.08Å; W1086-G1099 PolarHBondContact N-O 2.85Å; W1086-S1101 VanDerWaalsContact CE2-CB 3.41Å; W1086-G1150 VanDerWaalsContact CZ3-CA 3.4Å; W1086-I1151 WeakPolarHBondContact CB-O 3.4Å; W1086-T1152 HydrophobicContact CE3-CG2 4.39Å; W1086-T1152 HydrophobicContact CZ3-CG2 4.48Å |
| 1087 | C | 81.1 | Confident | 72.1 | Confident | 19 Ų | 19 | 49.2 Ų | 49.2 | 13% | 0.128 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 156.4 | 174.4 | 56.7 | 0 | 0 | 0 | 0 | 111.2 | G1099 | C1087-G1099 PolarHBondContact N-O 2.65Å; C1087-G1099 PolarHBondContact O-N 2.75Å |
| 1088 | M | 85.7 | Confident | 73.8 | Confident | 20 Ų | 20 | 48.3 Ų | 48.3 | 10% | 0.099 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 146.2 | 175.7 | -66.3 | -170.8 | -62.5 | 0 | 0 | 109 | T1005 A1007 A1027 T1029 I1045 I1085 L1096 V1097 V1098 | T1005-M1088 WeakPolarHBondContact O-CE 3.14Å; A1007-M1088 HydrophobicContact CB-CB 3.65Å; A1027-M1088 HydrophobicContact CB-CE 4.36Å; T1029-M1088 HydrophobicContact CG2-CE 3.7Å; T1029-M1088 HydrophobicContact CG2-SD 4.14Å; I1045-M1088 HydrophobicContact CD1-SD 3.91Å; I1045-M1088 HydrophobicContact CG1-SD 4.27Å; I1045-M1088 HydrophobicContact CG2-CE 4.48Å; I1045-M1088 HydrophobicContact CG2-SD 4.17Å; I1085-M1088 HydrophobicContact CD1-SD 4.36Å; I1085-M1088 HydrophobicContact CG2-CG 3.57Å; I1085-M1088 HydrophobicContact CG2-SD 4.05Å; M1088-L1096 HydrophobicContact CB-CD1 4.22Å; M1088-L1096 HydrophobicContact SD-CD2 4.44Å; M1088-V1097 CarbonylContact C-O 3.47Å; M1088-V1097 VanDerWaalsContact CA-O 3.29Å; M1088-V1097 WeakPolarHBondContact CA-O 3.43Å; M1088-V1098 HydrophobicContact CG-CB 4.34Å; M1088-V1098 HydrophobicContact CG-CG1 4.03Å; M1088-V1098 HydrophobicContact CG-CG2 4.12Å; M1088-V1098 HydrophobicContact SD-CG1 4.37Å; M1088-V1098 HydrophobicContact SD-CG2 4.18Å |
| 1089 | D | 82.9 | Confident | 75.7 | Confident | 47 Ų | 47 | 44.9 Ų | 44.9 | 25% | 0.251 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 156.9 | 175.6 | -158.6 | 0.3 | 0 | 0 | 0 | 110.6 | V1097 I1154 I1156 | D1089-V1097 PolarHBondContact N-O 2.88Å; D1089-V1097 PolarHBondContact O-N 3.43Å; D1089-I1154 HydrophobicContact CB-CB 4.34Å; D1089-I1154 HydrophobicContact CB-CG2 3.97Å; D1089-I1156 HydrophobicContact CB-CD1 3.88Å; D1089-I1156 HydrophobicContact CB-CG1 4.46Å; D1089-I1156 VanDerWaalsContact CG-CD1 3.42Å; D1089-I1156 WeakPolarHBondContact OD2-CD1 3.43Å; D1089-I1156 WeakPolarHBondContact OD2-CG1 3.44Å |
| 1090 | F | 79 | Confident | 77.6 | Confident | 15 Ų | 15 | 39.6 Ų | 39.6 | 7% | 0.066 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 121.5 | -177.7 | -84.9 | -89.8 | 0 | 0 | 0 | 111.8 | A1007 L1025 A1027 L1047 L1095 L1096 I1156 | A1007-F1090 HydrophobicContact CB-CD2 3.78Å; A1007-F1090 HydrophobicContact CB-CE2 3.86Å; L1025-F1090 HydrophobicContact CB-CE1 4.44Å; L1025-F1090 HydrophobicContact CB-CZ 4.34Å; A1027-F1090 HydrophobicContact CB-CE2 3.76Å; A1027-F1090 HydrophobicContact CB-CZ 3.82Å; L1047-F1090 HydrophobicContact CD2-CZ 4.12Å; F1090-L1095 WeakPolarHBondContact CA-O 3.08Å; F1090-L1096 HydrophobicContact CD1-CB 4.38Å; F1090-L1096 HydrophobicContact CD1-CD1 4.4Å; F1090-L1096 HydrophobicContact CD2-CD1 3.96Å; F1090-L1096 HydrophobicContact CE1-CB 4.19Å; F1090-L1096 HydrophobicContact CE1-CD1 4.25Å; F1090-L1096 HydrophobicContact CE2-CD1 3.79Å; F1090-L1096 HydrophobicContact CG-CD1 4.28Å; F1090-L1096 HydrophobicContact CZ-CD1 3.96Å; F1090-I1156 WeakPolarHBondContact O-CD1 3.29Å |
| 1091 | L | 78.3 | Confident | 79 | Confident | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 144.9 | 167.5 | -71.5 | 163.3 | 0 | 0 | 0 | 109.9 | Q1093 G1094 L1095 V1097 I1156 F1162 V1176 F1187 | L1091-Q1093 PolarHBondContact O-N 3.19Å; L1091-G1094 PolarHBondContact O-N 3.07Å; L1091-L1095 HydrophobicContact CB-CB 4.15Å; L1091-L1095 HydrophobicContact CB-CD1 4.49Å; L1091-L1095 HydrophobicContact CD1-CB 4.17Å; L1091-L1095 HydrophobicContact CD1-CD1 3.93Å; L1091-L1095 PolarHBondContact N-O 3.16Å; L1091-V1097 HydrophobicContact CD1-CG2 3.65Å; L1091-V1097 HydrophobicContact CG-CG2 3.87Å; L1091-I1156 HydrophobicContact CD2-CD1 3.91Å; L1091-I1156 HydrophobicContact CD2-CG1 4.07Å; L1091-I1156 HydrophobicContact CD2-CG2 3.92Å; L1091-I1156 HydrophobicContact CG-CD1 4.03Å; L1091-F1162 HydrophobicContact CD2-CD1 4.48Å; L1091-V1176 HydrophobicContact CD1-CG2 4.41Å; L1091-F1187 HydrophobicContact CD1-CE1 4.3Å |
| 1092 | P | 69.3 | Low | 79.8 | Confident | 32 Ų | 32 | 25.3 Ų | 25.3 | 21% | 0.208 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -13.6 | -177.1 | -28.5 | 34.2 | 0 | 0 | 0 | 116.5 | E1159 F1494 | P1092-E1159 HydrophobicContact CB-CG 4.09Å; P1092-E1159 HydrophobicContact CG-CG 4.2Å; P1092-F1494 HydrophobicContact CG-CE2 4.4Å |
| 1093 | Q | 69.9 | Low | 80 | Confident | 69 Ų | 69 | 20.4 Ų | 20.4 | 32% | 0.322 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 13.5 | 179.2 | -57.6 | -175.7 | -0.7 | 0 | 0 | 113.4 | L1091 E1159 Y1178 | L1091-Q1093 PolarHBondContact O-N 3.19Å; Q1093-E1159 PolarHBondContact NE2-OE2 3.37Å; Q1093-E1159 VanDerWaalsContact NE2-OE2 3.11Å; Q1093-Y1178 VanDerWaalsContact CD-OH 3.31Å; Q1093-Y1178 PolarHBondContact NE2-OH 3.3Å; Q1093-Y1178 PolarHBondContact OE1-OH 3.17Å; Q1093-Y1178 VanDerWaalsContact OE1-OH 3.04Å |
| 1094 | G | 71.7 | Confident | 80.3 | Confident | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.01 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | 14.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | L1091 C1110 | L1091-G1094 PolarHBondContact O-N 3.07Å; G1094-C1110 VanDerWaalsContact O-CB 3.27Å; G1094-C1110 WeakPolarHBondContact O-CB 3.48Å; G1094-C1110 PolarHBondContact O-N 3Å; G1094-C1110 PolarHBondContact O-SG 2.89Å |
| 1095 | L | 81.3 | Confident | 80.7 | Confident | 5 Ų | 5 | 18.3 Ų | 18.3 | 3% | 0.026 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 128.9 | 179.2 | -44.7 | 169.5 | 0 | 0 | 0 | 109.8 | F1090 L1091 I1107 W1108 L1116 F1187 | F1090-L1095 WeakPolarHBondContact CA-O 3.08Å; L1091-L1095 HydrophobicContact CB-CB 4.15Å; L1091-L1095 HydrophobicContact CB-CD1 4.49Å; L1091-L1095 HydrophobicContact CD1-CB 4.17Å; L1091-L1095 HydrophobicContact CD1-CD1 3.93Å; L1091-L1095 PolarHBondContact N-O 3.16Å; L1095-I1107 HydrophobicContact CB-CG2 4.48Å; L1095-W1108 WeakPolarHBondContact CA-O 3.32Å; L1095-L1116 HydrophobicContact CD2-CD1 3.81Å; L1095-F1187 HydrophobicContact CD1-CZ 4.4Å |
| 1096 | L | 86.5 | Confident | 80.9 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 121.4 | 175.9 | 177.9 | 69.6 | 0 | 0 | 0 | 109.7 | A1007 A1027 I1045 L1059 M1088 F1090 V1098 W1108 C1110 | A1007-L1096 HydrophobicContact CB-CD1 4.08Å; A1027-L1096 HydrophobicContact CB-CD1 3.82Å; A1027-L1096 HydrophobicContact CB-CD2 3.76Å; A1027-L1096 HydrophobicContact CB-CG 4.46Å; I1045-L1096 HydrophobicContact CD1-CD2 4.13Å; I1045-L1096 HydrophobicContact CG2-CD2 4.14Å; L1059-L1096 HydrophobicContact CD1-CD2 4.06Å; M1088-L1096 HydrophobicContact CB-CD1 4.22Å; M1088-L1096 HydrophobicContact SD-CD2 4.44Å; F1090-L1096 HydrophobicContact CD1-CB 4.38Å; F1090-L1096 HydrophobicContact CD1-CD1 4.4Å; F1090-L1096 HydrophobicContact CD2-CD1 3.96Å; F1090-L1096 HydrophobicContact CE1-CB 4.19Å; F1090-L1096 HydrophobicContact CE1-CD1 4.25Å; F1090-L1096 HydrophobicContact CE2-CD1 3.79Å; F1090-L1096 HydrophobicContact CG-CD1 4.28Å; F1090-L1096 HydrophobicContact CZ-CD1 3.96Å; L1096-V1098 HydrophobicContact CD2-CG2 3.98Å; L1096-V1098 HydrophobicContact CG-CG2 3.81Å; L1096-W1108 HydrophobicContact CB-CB 4.35Å; L1096-W1108 PolarHBondContact N-O 3.44Å; L1096-W1108 PolarHBondContact O-N 2.88Å; L1096-C1110 VanDerWaalsContact CB-SG 3.59Å |
| 1097 | V | 87.8 | Confident | 81.3 | Confident | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 120.3 | 178.7 | -172.6 | 0 | 0 | 0 | 0 | 108.6 | M1088 D1089 L1091 I1105 I1107 I1154 | M1088-V1097 CarbonylContact C-O 3.47Å; M1088-V1097 VanDerWaalsContact CA-O 3.29Å; M1088-V1097 WeakPolarHBondContact CA-O 3.43Å; D1089-V1097 PolarHBondContact N-O 2.88Å; D1089-V1097 PolarHBondContact O-N 3.43Å; L1091-V1097 HydrophobicContact CD1-CG2 3.65Å; L1091-V1097 HydrophobicContact CG-CG2 3.87Å; V1097-I1105 HydrophobicContact CG1-CG2 3.4Å; V1097-I1107 HydrophobicContact CG1-CG1 4.41Å; V1097-I1154 HydrophobicContact CG1-CD1 4.05Å |
| 1098 | V | 87.9 | Confident | 81.5 | Confident | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 111.9 | -168.6 | -178 | 0 | 0 | 0 | 0 | 110.7 | I1045 I1085 M1088 L1096 I1105 E1106 | I1045-V1098 HydrophobicContact CD1-CG1 4.3Å; I1045-V1098 HydrophobicContact CD1-CG2 3.83Å; I1085-V1098 HydrophobicContact CB-CG1 4.34Å; I1085-V1098 HydrophobicContact CD1-CG1 3.83Å; I1085-V1098 HydrophobicContact CG1-CG1 3.64Å; I1085-V1098 HydrophobicContact CG2-CG1 3.83Å; M1088-V1098 HydrophobicContact CG-CB 4.34Å; M1088-V1098 HydrophobicContact CG-CG1 4.03Å; M1088-V1098 HydrophobicContact CG-CG2 4.12Å; M1088-V1098 HydrophobicContact SD-CG1 4.37Å; M1088-V1098 HydrophobicContact SD-CG2 4.18Å; L1096-V1098 HydrophobicContact CD2-CG2 3.98Å; L1096-V1098 HydrophobicContact CG-CG2 3.81Å; V1098-I1105 CarbonylContact O-C 3.57Å; V1098-I1105 WeakPolarHBondContact O-CA 3.38Å; V1098-E1106 HydrophobicContact CB-CB 4.22Å; V1098-E1106 PolarHBondContact N-O 2.95Å; V1098-E1106 PolarHBondContact O-N 2.94Å |
| 1099 | G | 85.7 | Confident | 81.4 | Confident | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 120.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | W1086 C1087 | W1086-G1099 PolarHBondContact N-O 2.85Å; C1087-G1099 PolarHBondContact N-O 2.65Å; C1087-G1099 PolarHBondContact O-N 2.75Å |
| 1100 | C | 84.6 | Confident | 81.2 | Confident | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 154.3 | -173.9 | -65.3 | 0 | 0 | 0 | 0 | 114.2 | R1061 D1102 G1103 T1104 G1150 I1151 | R1061-C1100 PolarHBondContact NH2-SG 3.04Å; R1061-C1100 VanDerWaalsContact NH2-SG 3.41Å; C1100-D1102 WeakPolarHBondContact CB-OD1 3.4Å; C1100-D1102 PolarHBondContact O-N 3.17Å; C1100-D1102 VanDerWaalsContact O-N 3.08Å; C1100-G1103 PolarHBondContact O-N 3.08Å; C1100-G1103 VanDerWaalsContact O-N 3.08Å; C1100-T1104 WeakPolarHBondContact CB-O 3.35Å; C1100-T1104 PolarHBondContact N-O 2.96Å; C1100-G1150 VanDerWaalsContact O-CA 3.25Å; C1100-G1150 WeakPolarHBondContact O-CA 3.36Å; C1100-I1151 PolarHBondContact O-N 2.77Å |
| 1101 | S | 80.4 | Confident | 81.1 | Confident | 13 Ų | 13 | 15.8 Ų | 15.8 | 9% | 0.091 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -6.9 | 178.4 | 52.9 | 0 | 0 | 0 | 0 | 116.5 | R1080 T1084 W1086 | R1080-S1101 PolarHBondContact NH1-O 2.96Å; R1080-S1101 VanDerWaalsContact NH1-O 3.12Å; T1084-S1101 PolarHBondContact N-OG 3.39Å; T1084-S1101 VanDerWaalsContact O-CB 3.31Å; T1084-S1101 WeakPolarHBondContact O-CB 3.4Å; T1084-S1101 PolarHBondContact O-N 3.5Å; T1084-S1101 PolarHBondContact O-OG 2.84Å; T1084-S1101 WeakPolarHBondContact OG1-CB 3.21Å; T1084-S1101 PolarHBondContact OG1-OG 2.96Å; W1086-S1101 VanDerWaalsContact CE2-CB 3.41Å |
| 1102 | D | 75.5 | Confident | 81 | Confident | 41 Ų | 41 | 18.5 Ų | 18.5 | 22% | 0.219 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -9.3 | 177 | 51.4 | 19.6 | 0 | 0 | 0 | 113.2 | S1083 C1100 T1104 | S1083-D1102 WeakPolarHBondContact CB-OD2 3.49Å; S1083-D1102 PolarHBondContact OG-OD2 2.93Å; C1100-D1102 WeakPolarHBondContact CB-OD1 3.4Å; C1100-D1102 PolarHBondContact O-N 3.17Å; C1100-D1102 VanDerWaalsContact O-N 3.08Å; D1102-T1104 WeakPolarHBondContact OD1-CB 3.24Å; D1102-T1104 WeakPolarHBondContact OD1-CG2 3.32Å; D1102-T1104 PolarHBondContact OD1-N 2.79Å; D1102-T1104 PolarHBondContact OD1-OG1 3.11Å; D1102-T1104 PolarHBondContact OD2-OG1 2.84Å |
| 1103 | G | 76.3 | Confident | 81.3 | Confident | 6 Ų | 6 | 18 Ų | 18 | 6% | 0.062 | 10% | 0.102 | C | C | . | . | S | Bend | trans | 91.6 | 12.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114 | C1100 G1149 I1151 | C1100-G1103 PolarHBondContact O-N 3.08Å; C1100-G1103 VanDerWaalsContact O-N 3.08Å; G1103-G1149 WeakPolarHBondContact CA-O 3.35Å; G1103-I1151 VanDerWaalsContact C-CD1 3.49Å |
| 1104 | T | 81.6 | Confident | 81.7 | Confident | 5 Ų | 5 | 19.2 Ų | 19.2 | 3% | 0.031 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 143.3 | 173 | 67.9 | 0 | 0 | 0 | 0 | 112 | L1073 A1077 C1100 D1102 I1118 L1119 I1151 | L1073-T1104 HydrophobicContact CD2-CG2 3.76Å; A1077-T1104 HydrophobicContact CB-CG2 4.3Å; C1100-T1104 WeakPolarHBondContact CB-O 3.35Å; C1100-T1104 PolarHBondContact N-O 2.96Å; D1102-T1104 WeakPolarHBondContact OD1-CB 3.24Å; D1102-T1104 WeakPolarHBondContact OD1-CG2 3.32Å; D1102-T1104 PolarHBondContact OD1-N 2.79Å; D1102-T1104 PolarHBondContact OD1-OG1 3.11Å; D1102-T1104 PolarHBondContact OD2-OG1 2.84Å; T1104-I1118 HydrophobicContact CG2-CG2 4.26Å; T1104-L1119 WeakPolarHBondContact CA-O 3.39Å; T1104-I1151 VanDerWaalsContact C-CD1 3.44Å; T1104-I1151 WeakPolarHBondContact O-CD1 3.19Å |
| 1105 | I | 86.6 | Confident | 82.2 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 114.4 | 170.3 | -43.9 | 171.2 | 0 | 0 | 0 | 106.9 | V1097 V1098 I1107 I1118 L1119 I1151 F1162 I1164 F1174 | V1097-I1105 HydrophobicContact CG1-CG2 3.4Å; V1098-I1105 CarbonylContact O-C 3.57Å; V1098-I1105 WeakPolarHBondContact O-CA 3.38Å; I1105-I1107 HydrophobicContact CG2-CG1 4.32Å; I1105-I1118 CarbonylContact O-C 3.35Å; I1105-I1118 VanDerWaalsContact O-CA 3.29Å; I1105-I1118 WeakPolarHBondContact O-CA 3.42Å; I1105-L1119 HydrophobicContact CB-CB 4.13Å; I1105-L1119 HydrophobicContact CD1-CB 4.14Å; I1105-L1119 HydrophobicContact CD1-CD1 4.29Å; I1105-L1119 HydrophobicContact CG1-CB 4.38Å; I1105-L1119 PolarHBondContact N-O 2.79Å; I1105-L1119 PolarHBondContact O-N 3.39Å; I1105-I1151 HydrophobicContact CG1-CD1 3.7Å; I1105-I1151 HydrophobicContact CG1-CG1 4.44Å; I1105-F1162 HydrophobicContact CD1-CE2 4.3Å; I1105-I1164 HydrophobicContact CD1-CD1 3.78Å; I1105-I1164 HydrophobicContact CD1-CG2 4.34Å; I1105-F1174 HydrophobicContact CD1-CE2 4.13Å; I1105-F1174 HydrophobicContact CD1-CZ 4.08Å |
| 1106 | E | 87.3 | Confident | 82.2 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 131.5 | 172.8 | -50.8 | -179.1 | 164.9 | 0 | 0 | 109.3 | R1061 R1070 V1098 W1108 L1115 I1118 | R1061-E1106 IonicContact CZ-OE1 2.7Å; R1061-E1106 IonicContact CZ-OE2 3.87Å; R1061-E1106 IonicContact NE-OE1 2.75Å; R1061-E1106 PolarHBondContact NE-OE1 2.92Å; R1061-E1106 IonicContact NE-OE2 2.69Å; R1061-E1106 PolarHBondContact NE-OE2 3.28Å; R1061-E1106 VanDerWaalsContact NH2-CD 3.34Å; R1061-E1106 IonicContact NH2-OE1 3.57Å; R1061-E1106 PolarHBondContact NH2-OE1 2.89Å; R1061-E1106 IonicContact NH2-OE2 3.84Å; R1070-E1106 IonicContact CZ-OE1 3.73Å; R1070-E1106 IonicContact NE-OE1 3.35Å; R1070-E1106 PolarHBondContact NE-OE1 3.19Å; R1070-E1106 VanDerWaalsContact NH2-CD 3.32Å; R1070-E1106 IonicContact NH2-OE1 3.92Å; R1070-E1106 PolarHBondContact NH2-OE1 2.97Å; R1070-E1106 IonicContact NH2-OE2 2.72Å; R1070-E1106 PolarHBondContact NH2-OE2 3Å; V1098-E1106 HydrophobicContact CB-CB 4.22Å; V1098-E1106 PolarHBondContact N-O 2.95Å; V1098-E1106 PolarHBondContact O-N 2.94Å; E1106-W1108 VanDerWaalsContact CB-NE1 3.33Å; E1106-W1108 PolarHBondContact OE2-NE1 2.88Å; E1106-W1108 VanDerWaalsContact OE2-NE1 3.11Å; E1106-L1115 HydrophobicContact CB-CD1 3.93Å; E1106-I1118 HydrophobicContact CG-CG1 4.41Å |
| 1107 | I | 87.5 | Confident | 81.8 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 118.3 | 179.2 | -55.6 | -175 | 0 | 0 | 0 | 109.3 | L1095 V1097 I1105 L1116 D1117 L1119 F1187 | L1095-I1107 HydrophobicContact CB-CG2 4.48Å; V1097-I1107 HydrophobicContact CG1-CG1 4.41Å; I1105-I1107 HydrophobicContact CG2-CG1 4.32Å; I1107-L1116 WeakPolarHBondContact O-CB 3.29Å; I1107-L1116 PolarHBondContact O-N 2.87Å; I1107-D1117 PolarHBondContact N-O 3.1Å; I1107-D1117 PolarHBondContact O-N 3.28Å; I1107-L1119 HydrophobicContact CD1-CD1 3.8Å; I1107-L1119 HydrophobicContact CD1-CG 4.22Å; I1107-F1187 HydrophobicContact CD1-CD1 3.49Å; I1107-F1187 VanDerWaalsContact CD1-CD1 3.49Å; I1107-F1187 HydrophobicContact CD1-CD2 3.94Å; I1107-F1187 HydrophobicContact CD1-CE1 3.47Å; I1107-F1187 VanDerWaalsContact CD1-CE1 3.47Å; I1107-F1187 HydrophobicContact CD1-CE2 3.94Å; I1107-F1187 HydrophobicContact CD1-CG 3.76Å; I1107-F1187 HydrophobicContact CD1-CZ 3.73Å; I1107-F1187 HydrophobicContact CG2-CE1 4.34Å; I1107-F1187 HydrophobicContact CG2-CE2 4.23Å; I1107-F1187 HydrophobicContact CG2-CZ 3.79Å |
| 1108 | W | 86.3 | Confident | 81.5 | Confident | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.008 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 136.6 | -171.5 | -65.5 | 86 | 0 | 0 | 0 | 111.3 | L1059 R1061 T1066 L1095 L1096 E1106 L1115 | L1059-W1108 HydrophobicContact CD1-CB 4.29Å; L1059-W1108 HydrophobicContact CD1-CD2 4.42Å; L1059-W1108 HydrophobicContact CD1-CE3 4.49Å; L1059-W1108 HydrophobicContact CD1-CG 4.37Å; L1059-W1108 HydrophobicContact CD2-CD2 4.36Å; L1059-W1108 HydrophobicContact CD2-CE3 3.64Å; L1059-W1108 HydrophobicContact CD2-CZ3 4.06Å; R1061-W1108 HydrophobicContact CB-CZ2 4.26Å; R1061-W1108 HydrophobicContact CG-CH2 4.44Å; R1061-W1108 HydrophobicContact CG-CZ2 3.83Å; T1066-W1108 HydrophobicContact CG2-CH2 3.58Å; T1066-W1108 HydrophobicContact CG2-CZ3 3.9Å; L1095-W1108 WeakPolarHBondContact CA-O 3.32Å; L1096-W1108 HydrophobicContact CB-CB 4.35Å; L1096-W1108 PolarHBondContact N-O 3.44Å; L1096-W1108 PolarHBondContact O-N 2.88Å; E1106-W1108 VanDerWaalsContact CB-NE1 3.33Å; E1106-W1108 PolarHBondContact OE2-NE1 2.88Å; E1106-W1108 VanDerWaalsContact OE2-NE1 3.11Å; W1108-L1115 HydrophobicContact CD2-CB 4.15Å; W1108-L1115 HydrophobicContact CD2-CD1 4.07Å; W1108-L1115 HydrophobicContact CE3-CB 3.83Å; W1108-L1115 HydrophobicContact CG-CD1 4.43Å; W1108-L1115 HydrophobicContact CH2-CB 3.97Å; W1108-L1115 HydrophobicContact CZ2-CB 4.24Å; W1108-L1115 HydrophobicContact CZ2-CD1 4.03Å; W1108-L1115 HydrophobicContact CZ3-CB 3.76Å |
| 1109 | N | 83.4 | Confident | 81.1 | Confident | 34 Ų | 34 | 26.3 Ų | 26.3 | 18% | 0.182 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 120.2 | 169.8 | 176.8 | -18.4 | 0 | 0 | 0 | 109.1 | E1111 S1112 G1113 H1114 L1116 | N1109-E1111 WeakPolarHBondContact OD1-CB 3.06Å; N1109-E1111 PolarHBondContact OD1-N 2.91Å; N1109-S1112 PolarHBondContact ND2-OG 2.89Å; N1109-S1112 PolarHBondContact OD1-N 2.97Å; N1109-G1113 WeakPolarHBondContact O-CA 3.47Å; N1109-G1113 PolarHBondContact O-N 2.91Å; N1109-H1114 PolarHBondContact N-O 2.97Å; N1109-L1116 HydrophobicContact CB-CD1 4.19Å; N1109-L1116 HydrophobicContact CB-CD2 4.05Å; N1109-L1116 HydrophobicContact CB-CG 4Å |
| 1110 | C | 79.4 | Confident | 80.7 | Confident | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.02 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -4.8 | -176.8 | -54.2 | 0 | 0 | 0 | 0 | 114.6 | L1047 F1057 G1094 L1096 | L1047-C1110 HydrophobicContact CD1-CB 4.06Å; F1057-C1110 WeakPolarHBondContact CE1-O 3.36Å; F1057-C1110 VanDerWaalsContact CZ-O 3.26Å; F1057-C1110 WeakPolarHBondContact CZ-O 3.31Å; G1094-C1110 VanDerWaalsContact O-CB 3.27Å; G1094-C1110 WeakPolarHBondContact O-CB 3.48Å; G1094-C1110 PolarHBondContact O-N 3Å; G1094-C1110 PolarHBondContact O-SG 2.89Å; L1096-C1110 VanDerWaalsContact CB-SG 3.59Å |
| 1111 | E | 75.9 | Confident | 80.1 | Confident | 119 Ų | 119 | 28.5 Ų | 28.5 | 56% | 0.556 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -40.2 | 171.6 | -58.6 | -177.1 | 150.9 | 0 | 0 | 111.6 | V1011 N1109 | V1011-E1111 HydrophobicContact CG1-CG 4.47Å; N1109-E1111 WeakPolarHBondContact OD1-CB 3.06Å; N1109-E1111 PolarHBondContact OD1-N 2.91Å |
| 1112 | S | 75.3 | Confident | 79.1 | Confident | 59 Ų | 59 | 32.2 Ų | 32.2 | 41% | 0.413 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | -10.5 | -176.4 | 61.1 | 0 | 0 | 0 | 0 | 114.6 | N1109 H1114 | N1109-S1112 PolarHBondContact ND2-OG 2.89Å; N1109-S1112 PolarHBondContact OD1-N 2.97Å; S1112-H1114 PolarHBondContact O-N 3.04Å; S1112-H1114 VanDerWaalsContact O-N 3.07Å |
| 1113 | G | 76.2 | Confident | 77.9 | Confident | 20 Ų | 20 | 33.6 Ų | 33.6 | 21% | 0.206 | 19% | 0.185 | C | C | . | . | trans | 70.1 | -4.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | L1059 N1109 | L1059-G1113 VanDerWaalsContact CD2-O 3.3Å; L1059-G1113 WeakPolarHBondContact CD2-O 3.3Å; N1109-G1113 WeakPolarHBondContact O-CA 3.47Å; N1109-G1113 PolarHBondContact O-N 2.91Å | ||
| 1114 | H | 79.7 | Confident | 76.3 | Confident | 95 Ų | 95 | 39.3 Ų | 39.3 | 44% | 0.44 | 21% | 0.213 | S | C | . | . | trans | -79.4 | 139.9 | 177.9 | -64.4 | -67.9 | 0 | 0 | 0 | 112 | E1065 N1109 S1112 L1116 | E1065-H1114 IonicContact OE2-CE1 3.9Å; E1065-H1114 PolarHBondContact OE2-CE1 3.36Å; E1065-H1114 IonicContact OE2-ND1 2.67Å; E1065-H1114 PolarHBondContact OE2-ND1 2.87Å; E1065-H1114 VanDerWaalsContact OE2-ND1 3.11Å; N1109-H1114 PolarHBondContact N-O 2.97Å; S1112-H1114 PolarHBondContact O-N 3.04Å; S1112-H1114 VanDerWaalsContact O-N 3.07Å; H1114-L1116 PolarHBondContact O-N 2.88Å | ||
| 1115 | L | 82.2 | Confident | 73.9 | Confident | 5 Ų | 5 | 45.7 Ų | 45.7 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 120.6 | 163 | 174 | 73.3 | 0 | 0 | 0 | 109.3 | T1066 K1069 E1106 W1108 D1117 I1118 | T1066-L1115 HydrophobicContact CG2-CB 3.96Å; T1066-L1115 HydrophobicContact CG2-CD2 4.28Å; K1069-L1115 HydrophobicContact CB-CD2 3.94Å; K1069-L1115 HydrophobicContact CD-CD2 4.12Å; K1069-L1115 HydrophobicContact CD-CG 4.36Å; K1069-L1115 PolarHBondContact NZ-O 2.82Å; E1106-L1115 HydrophobicContact CB-CD1 3.93Å; W1108-L1115 HydrophobicContact CD2-CB 4.15Å; W1108-L1115 HydrophobicContact CD2-CD1 4.07Å; W1108-L1115 HydrophobicContact CE3-CB 3.83Å; W1108-L1115 HydrophobicContact CG-CD1 4.43Å; W1108-L1115 HydrophobicContact CH2-CB 3.97Å; W1108-L1115 HydrophobicContact CZ2-CB 4.24Å; W1108-L1115 HydrophobicContact CZ2-CD1 4.03Å; W1108-L1115 HydrophobicContact CZ3-CB 3.76Å; L1115-D1117 WeakPolarHBondContact CD1-O 3.45Å; L1115-I1118 HydrophobicContact CD1-CG1 3.94Å; L1115-I1118 HydrophobicContact CD2-CD1 3.74Å; L1115-I1118 HydrophobicContact CD2-CG1 3.87Å; L1115-I1118 HydrophobicContact CG-CG1 4.31Å |
| 1116 | L | 80.2 | Confident | 71.1 | Confident | 56 Ų | 56 | 53.3 Ų | 53.3 | 29% | 0.293 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | -60.1 | 175.7 | -65 | -178.4 | 0 | 0 | 0 | 110.8 | K1069 L1095 I1107 N1109 H1114 | K1069-L1116 PolarHBondContact NZ-O 3.13Å; L1095-L1116 HydrophobicContact CD2-CD1 3.81Å; I1107-L1116 WeakPolarHBondContact O-CB 3.29Å; I1107-L1116 PolarHBondContact O-N 2.87Å; N1109-L1116 HydrophobicContact CB-CD1 4.19Å; N1109-L1116 HydrophobicContact CB-CD2 4.05Å; N1109-L1116 HydrophobicContact CB-CG 4Å; H1114-L1116 PolarHBondContact O-N 2.88Å |
| 1117 | D | 78.2 | Confident | 68.3 | Low | 62 Ų | 62 | 60.2 Ų | 60.2 | 33% | 0.332 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 161.4 | -171.3 | -160.3 | 2.4 | 0 | 0 | 0 | 111.6 | I1107 L1115 L1119 F1187 | I1107-D1117 PolarHBondContact N-O 3.1Å; I1107-D1117 PolarHBondContact O-N 3.28Å; L1115-D1117 WeakPolarHBondContact CD1-O 3.45Å; D1117-L1119 WeakPolarHBondContact OD2-CD2 3.47Å; D1117-F1187 HydrophobicContact CB-CD2 4.34Å |
| 1118 | I | 80.5 | Confident | 65.5 | Low | 15 Ų | 15 | 69.3 Ų | 69.3 | 8% | 0.077 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 107.7 | 170.7 | -58 | 176.7 | 0 | 0 | 0 | 109.6 | R1070 L1073 T1104 I1105 E1106 L1115 | R1070-I1118 HydrophobicContact CG-CD1 3.4Å; L1073-I1118 HydrophobicContact CD1-CB 3.93Å; L1073-I1118 HydrophobicContact CD1-CD1 4.42Å; L1073-I1118 HydrophobicContact CD1-CG2 3.96Å; L1073-I1118 HydrophobicContact CD2-CG2 3.84Å; T1104-I1118 HydrophobicContact CG2-CG2 4.26Å; I1105-I1118 CarbonylContact O-C 3.35Å; I1105-I1118 VanDerWaalsContact O-CA 3.29Å; I1105-I1118 WeakPolarHBondContact O-CA 3.42Å; E1106-I1118 HydrophobicContact CG-CG1 4.41Å; L1115-I1118 HydrophobicContact CD1-CG1 3.94Å; L1115-I1118 HydrophobicContact CD2-CD1 3.74Å; L1115-I1118 HydrophobicContact CD2-CG1 3.87Å; L1115-I1118 HydrophobicContact CG-CG1 4.31Å |
| 1119 | L | 81.5 | Confident | 62.7 | Low | 18 Ų | 18 | 76.3 Ų | 76.3 | 9% | 0.094 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 126.3 | 178.7 | -47.1 | 177.6 | 0 | 0 | 0 | 109.9 | T1104 I1105 I1107 D1117 F1162 F1174 F1187 | T1104-L1119 WeakPolarHBondContact CA-O 3.39Å; I1105-L1119 HydrophobicContact CB-CB 4.13Å; I1105-L1119 HydrophobicContact CD1-CB 4.14Å; I1105-L1119 HydrophobicContact CD1-CD1 4.29Å; I1105-L1119 HydrophobicContact CG1-CB 4.38Å; I1105-L1119 PolarHBondContact N-O 2.79Å; I1105-L1119 PolarHBondContact O-N 3.39Å; I1107-L1119 HydrophobicContact CD1-CD1 3.8Å; I1107-L1119 HydrophobicContact CD1-CG 4.22Å; D1117-L1119 WeakPolarHBondContact OD2-CD2 3.47Å; L1119-F1162 HydrophobicContact CD1-CZ 4.25Å; L1119-F1174 HydrophobicContact CB-CE1 4.49Å; L1119-F1174 HydrophobicContact CD1-CD1 3.9Å; L1119-F1174 HydrophobicContact CD1-CE1 3.91Å; L1119-F1187 HydrophobicContact CD1-CB 3.67Å; L1119-F1187 HydrophobicContact CD1-CG 4.2Å; L1119-F1187 HydrophobicContact CD2-CB 3.77Å; L1119-F1187 HydrophobicContact CG-CB 4.32Å |
| 1120 | C | 75.8 | Confident | 59.9 | Low | 35 Ų | 35 | 82.1 Ų | 82.1 | 24% | 0.236 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 133.3 | 167.6 | -65.6 | 0 | 0 | 0 | 0 | 109.2 | N1122 | C1120-N1122 PolarHBondContact O-N 2.74Å |
| 1121 | L | 71.6 | Confident | 57.4 | Low | 11 Ų | 11 | 87.2 Ų | 87.2 | 6% | 0.058 | 47% | 0.465 | C | S | . | . | trans | -70.5 | 77.2 | 162 | -80.6 | 171.9 | 0 | 0 | 0 | 109.5 | P1148 I1164 T1166 A1172 F1174 | L1121-P1148 HydrophobicContact CB-CB 4.05Å; L1121-P1148 HydrophobicContact CB-CG 3.58Å; L1121-P1148 HydrophobicContact CD1-CB 3.87Å; L1121-P1148 HydrophobicContact CD1-CG 4.21Å; L1121-I1164 HydrophobicContact CD1-CD1 3.65Å; L1121-I1164 HydrophobicContact CD2-CD1 4.23Å; L1121-I1164 HydrophobicContact CG-CD1 4.04Å; L1121-T1166 HydrophobicContact CD1-CG2 3.51Å; L1121-A1172 HydrophobicContact CD2-CB 3.71Å; L1121-F1174 HydrophobicContact CD2-CE2 4.4Å; L1121-F1174 HydrophobicContact CD2-CZ 4.1Å | ||
| 1122 | N | 61.3 | Low | 55 | Low | 90 Ų | 90 | 90.5 Ų | 90.5 | 48% | 0.481 | 48% | 0.477 | S | S | . | . | trans | -67.7 | 138 | 169.9 | -72.9 | -22.1 | 0 | 0 | 0 | 109.2 | C1120 I1124 | C1120-N1122 PolarHBondContact O-N 2.74Å; N1122-I1124 PolarHBondContact O-N 2.89Å | ||
| 1123 | N | 49.8 | Very low | 52.6 | Low | 71 Ų | 71 | 96.4 Ų | 96.4 | 38% | 0.38 | 50% | 0.495 | S | S | . | . | trans | -68.4 | 88.9 | 164.1 | -76 | -25.2 | 0 | 0 | 0 | 108.5 | N1125 I1146 | N1123-N1125 PolarHBondContact O-N 2.98Å; N1123-I1146 PolarHBondContact ND2-O 3.36Å | ||
| 1124 | I | 42.1 | Very low | 50.3 | Low | 126 Ų | 126 | 103 Ų | 103 | 65% | 0.646 | 52% | 0.521 | S | S | * | . | trans | -67.3 | 100.8 | 164.6 | -60 | 177.1 | 0 | 0 | 0 | 105.7 | N1122 N1126 L1189 | N1122-I1124 PolarHBondContact O-N 2.89Å; I1124-N1126 PolarHBondContact O-N 2.85Å; I1124-L1189 HydrophobicContact CD1-CD2 4.16Å | ||
| 1125 | N | 31.6 | Very low | 48 | Very low | 139 Ų | 139 | 103.5 Ų | 103.5 | 74% | 0.743 | 53% | 0.531 | S | S | * | . | trans | -56.1 | 139.5 | 166.1 | -76.5 | -10.1 | 0 | 0 | 0 | 108.5 | N1123 D1127 | N1123-N1125 PolarHBondContact O-N 2.98Å; N1125-D1127 PolarHBondContact O-N 2.85Å | ||
| 1126 | N | 28.4 | Very low | 45.3 | Very low | 159 Ų | 159 | 111.1 Ų | 111.1 | 85% | 0.85 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -60.6 | 101 | 171.7 | -66.3 | -25.2 | 0 | 0 | 0 | 109.8 | I1124 | I1124-N1126 PolarHBondContact O-N 2.85Š|
| 1127 | D | 28.1 | Very low | 42.8 | Very low | 146 Ų | 146 | 115 Ų | 115 | 78% | 0.781 | 59% | 0.587 | S | S | * | * | trans | -167.8 | 90.3 | 160.5 | -99.5 | -34.5 | 0 | 0 | 0 | 109.8 | N1125 | N1125-D1127 PolarHBondContact O-N 2.85Š| ||
| 1128 | H | 28.5 | Very low | 40.3 | Very low | 190 Ų | 190 | 117 Ų | 117 | 88% | 0.88 | 61% | 0.606 | S | S | * | * | S | Bend | trans | 177.7 | 62.9 | 145.4 | -93.6 | -57.9 | 0 | 0 | 0 | 111.9 | ||
| 1129 | L | 26.7 | Very low | 37.7 | Very low | 150 Ų | 150 | 121.9 Ų | 121.9 | 79% | 0.785 | 64% | 0.642 | S | S | * | * | S | Bend | 168.4 | 122.6 | 124 | -108.5 | 87.7 | 0 | 0 | 0 | 111 | |||
| 1130 | L | 24.9 | Very low | 35 | Very low | 155 Ų | 155 | 126.4 Ų | 126.4 | 81% | 0.812 | 68% | 0.675 | S | S | * | * | trans | 65.9 | 134.7 | 158.9 | -46.7 | 168 | 0 | 0 | 0 | 117.7 | ||||
| 1131 | V | 26.5 | Very low | 32.8 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 67% | 0.667 | 70% | 0.697 | S | S | * | * | cis | -158.7 | 144.9 | -8.5 | 128.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1132 | K | 26.9 | Very low | 30.6 | Very low | 188 Ų | 188 | 135 Ų | 135 | 82% | 0.817 | 73% | 0.732 | S | S | * | * | trans | 64.1 | 126 | 176.1 | -71.7 | 164.1 | -179.6 | -177.4 | 0 | 115.3 | ||||
| 1133 | K | 24.2 | Very low | 29.3 | Very low | 183 Ų | 183 | 139.1 Ų | 139.1 | 80% | 0.796 | 75% | 0.748 | S | S | * | * | 58.4 | 128.5 | 65.6 | -65.4 | -171.3 | 173.7 | -174.1 | 0 | 111.7 | |||||
| 1134 | E | 28.2 | Very low | 28.6 | Very low | 160 Ų | 160 | 140.1 Ų | 140.1 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | cis | -151.3 | 146.7 | 45.4 | -130.2 | 126.3 | -119.3 | 0 | 0 | 115.7 | ||||
| 1135 | T | 29.9 | Very low | 28.7 | Very low | 105 Ų | 105 | 143.1 Ų | 143.1 | 64% | 0.644 | 77% | 0.768 | S | S | * | * | trans | 34.8 | 124.3 | 148 | 53.3 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 1136 | Q | 27.6 | Very low | 29.8 | Very low | 165 Ų | 165 | 141.5 Ų | 141.5 | 77% | 0.771 | 76% | 0.758 | S | S | * | * | 49.2 | 124.5 | 125.7 | -57.2 | 178.5 | -2.8 | 0 | 0 | 118.8 | |||||
| 1137 | N | 26.7 | Very low | 31.5 | Very low | 137 Ų | 137 | 138.9 Ų | 138.9 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | -168.7 | 163.4 | 58.5 | -107 | -42 | 0 | 0 | 0 | 114.2 | |||||
| 1138 | S | 25.9 | Very low | 33.4 | Very low | 105 Ų | 105 | 132.6 Ų | 132.6 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | trans | 6.4 | 117.8 | 159.4 | 60.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1139 | S | 25.9 | Very low | 35.7 | Very low | 117 Ų | 117 | 124.1 Ų | 124.1 | 82% | 0.818 | 68% | 0.676 | S | S | * | * | -168.4 | 165 | 114.9 | 56.3 | 0 | 0 | 0 | 0 | 112.4 | T1141 | S1139-T1141 PolarHBondContact O-N 2.94Š| |||
| 1140 | S | 25.6 | Very low | 38.4 | Very low | 113 Ų | 113 | 117.1 Ų | 117.1 | 79% | 0.79 | 64% | 0.64 | S | S | * | * | trans | -57.5 | 115.3 | -176.7 | 49.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1141 | T | 28.5 | Very low | 41.3 | Very low | 114 Ų | 114 | 109.7 Ų | 109.7 | 70% | 0.699 | 60% | 0.601 | S | S | * | * | trans | -155.9 | 141.6 | 134.9 | 10.5 | 0 | 0 | 0 | 0 | 110.7 | S1139 H1143 | S1139-T1141 PolarHBondContact O-N 2.94Å; T1141-H1143 PolarHBondContact O-N 3.4Å | ||
| 1142 | S | 25 | Very low | 44 | Very low | 113 Ų | 113 | 106.6 Ų | 106.6 | 79% | 0.79 | 58% | 0.582 | S | S | * | * | trans | -72.7 | 98.2 | 171.6 | 53.9 | 0 | 0 | 0 | 0 | 109.5 | S1144 | S1142-S1144 PolarHBondContact O-N 2.83Š| ||
| 1143 | H | 33.8 | Very low | 46.8 | Very low | 176 Ų | 176 | 99.2 Ų | 99.2 | 82% | 0.815 | 55% | 0.551 | S | S | * | * | trans | -66.2 | 81.2 | 168.5 | -72.7 | -80.7 | 0 | 0 | 0 | 109.7 | T1141 K1145 | T1141-H1143 PolarHBondContact O-N 3.4Å; H1143-K1145 PolarHBondContact O-N 2.9Å | ||
| 1144 | S | 35.8 | Very low | 49.8 | Very low | 91 Ų | 91 | 91.1 Ų | 91.1 | 64% | 0.636 | 52% | 0.517 | S | S | * | . | trans | -54.3 | 126.8 | 173.1 | 52.8 | 0 | 0 | 0 | 0 | 109 | S1142 I1146 | S1142-S1144 PolarHBondContact O-N 2.83Å; S1144-I1146 WeakPolarHBondContact O-CG1 3.41Å; S1144-I1146 PolarHBondContact O-N 3.32Å | ||
| 1145 | K | 44.3 | Very low | 52.5 | Low | 190 Ų | 190 | 87.7 Ų | 87.7 | 83% | 0.826 | 50% | 0.497 | S | S | * | . | trans | -51.1 | 105.6 | 175.7 | -67.1 | 177.8 | 178.1 | 179.8 | 0 | 109 | H1143 N1147 | H1143-K1145 PolarHBondContact O-N 2.9Å; K1145-N1147 PolarHBondContact O-N 3.11Å | ||
| 1146 | I | 53.9 | Low | 54.9 | Low | 104 Ų | 104 | 83.8 Ų | 83.8 | 53% | 0.533 | 47% | 0.472 | S | S | . | . | trans | -73.1 | 98.4 | 179.8 | -55.8 | -179.5 | 0 | 0 | 0 | 106.2 | N1123 S1144 | N1123-I1146 PolarHBondContact ND2-O 3.36Å; S1144-I1146 WeakPolarHBondContact O-CG1 3.41Å; S1144-I1146 PolarHBondContact O-N 3.32Å | ||
| 1147 | N | 65.2 | Low | 57.3 | Low | 104 Ų | 104 | 76.3 Ų | 76.3 | 56% | 0.556 | 44% | 0.437 | S | S | * | . | trans | -64.6 | 137.4 | 165.7 | -69.2 | -21.3 | 0 | 0 | 0 | 107.3 | K1145 G1149 H1168 | K1145-N1147 PolarHBondContact O-N 3.11Å; N1147-G1149 PolarHBondContact O-N 3.03Å; N1147-H1168 PolarHBondContact O-CD2 3.07Å | ||
| 1148 | P | 66.8 | Low | 59.5 | Low | 14 Ų | 14 | 71 Ų | 71 | 9% | 0.091 | 41% | 0.408 | C | S | . | . | trans | -64.6 | -20.5 | 176.4 | 27.3 | -35.9 | 0 | 0 | 0 | 112.4 | L1121 T1166 H1168 V1170 | L1121-P1148 HydrophobicContact CB-CB 4.05Å; L1121-P1148 HydrophobicContact CB-CG 3.58Å; L1121-P1148 HydrophobicContact CD1-CB 3.87Å; L1121-P1148 HydrophobicContact CD1-CG 4.21Å; P1148-T1166 HydrophobicContact CB-CG2 4.42Å; P1148-T1166 VanDerWaalsContact O-CB 3.31Å; P1148-T1166 WeakPolarHBondContact O-CB 3.42Å; P1148-T1166 PolarHBondContact O-OG1 2.94Å; P1148-H1168 WeakPolarHBondContact O-CB 3.18Å; P1148-H1168 PolarHBondContact O-N 3.45Å; P1148-V1170 HydrophobicContact CB-CG2 4.28Å | ||
| 1149 | G | 77.5 | Confident | 61.6 | Low | 13 Ų | 13 | 70.7 Ų | 70.7 | 13% | 0.134 | 40% | 0.396 | C | S | . | . | trans | 80 | -177.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G1103 N1147 | G1103-G1149 WeakPolarHBondContact CA-O 3.35Å; N1147-G1149 PolarHBondContact O-N 3.03Å | ||
| 1150 | G | 82.6 | Confident | 63.8 | Low | 2 Ų | 2 | 66.6 Ų | 66.6 | 2% | 0.021 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -64.2 | 147.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | W1086 C1100 S1167 | W1086-G1150 VanDerWaalsContact CZ3-CA 3.4Å; C1100-G1150 VanDerWaalsContact O-CA 3.25Å; C1100-G1150 WeakPolarHBondContact O-CA 3.36Å; G1150-S1167 PolarHBondContact N-OG 3.23Å; G1150-S1167 PolarHBondContact O-N 3.31Å; G1150-S1167 PolarHBondContact O-OG 2.87Å |
| 1151 | I | 86.5 | Confident | 66.4 | Low | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 124.8 | 178.8 | -61.3 | 121.2 | 0 | 0 | 0 | 108.9 | W1086 C1100 G1103 T1104 I1105 I1154 I1164 G1165 T1166 | W1086-I1151 WeakPolarHBondContact CB-O 3.4Å; C1100-I1151 PolarHBondContact O-N 2.77Å; G1103-I1151 VanDerWaalsContact C-CD1 3.49Å; T1104-I1151 VanDerWaalsContact C-CD1 3.44Å; T1104-I1151 WeakPolarHBondContact O-CD1 3.19Å; I1105-I1151 HydrophobicContact CG1-CD1 3.7Å; I1105-I1151 HydrophobicContact CG1-CG1 4.44Å; I1151-I1154 HydrophobicContact CG2-CG1 4.08Å; I1151-I1164 HydrophobicContact CG1-CD1 4.26Å; I1151-I1164 HydrophobicContact CG2-CB 4.16Å; I1151-I1164 HydrophobicContact CG2-CG2 4.44Å; I1151-G1165 CarbonylContact C-O 3.5Å; I1151-G1165 WeakPolarHBondContact CA-O 3.3Å; I1151-G1165 WeakPolarHBondContact CG2-O 3.4Å; I1151-T1166 HydrophobicContact CG1-CG2 4.45Å |
| 1152 | T | 84.3 | Confident | 69.1 | Low | 44 Ų | 44 | 56.5 Ų | 56.5 | 27% | 0.27 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | -30.1 | -175.7 | 50.1 | 0 | 0 | 0 | 0 | 112.8 | W1086 G1165 A1199 I1200 | W1086-T1152 HydrophobicContact CE3-CG2 4.39Å; W1086-T1152 HydrophobicContact CZ3-CG2 4.48Å; T1152-G1165 PolarHBondContact N-O 2.94Å; T1152-G1165 PolarHBondContact OG1-O 3.25Å; T1152-A1199 HydrophobicContact CG2-CB 4.46Å; T1152-I1200 PolarHBondContact OG1-O 2.67Å |
| 1153 | I | 85.1 | Confident | 72.1 | Confident | 34 Ų | 34 | 51.2 Ų | 51.2 | 17% | 0.174 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 144.5 | -176.1 | -174.5 | 168.5 | 0 | 0 | 0 | 110.2 | I1164 G1165 I1200 L1203 | I1153-I1164 WeakPolarHBondContact O-CA 3.39Å; I1153-G1165 PolarHBondContact N-O 3.49Å; I1153-G1165 PolarHBondContact O-N 2.78Å; I1153-I1200 HydrophobicContact CG2-CG2 4.24Å; I1153-L1203 HydrophobicContact CG2-CD1 3.75Å |
| 1154 | I | 86.4 | Confident | 74.7 | Confident | 13 Ų | 13 | 42.9 Ų | 42.9 | 7% | 0.067 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 144.5 | 170.1 | -64.7 | 159.2 | 0 | 0 | 0 | 106.6 | D1089 V1097 I1151 F1162 I1164 | D1089-I1154 HydrophobicContact CB-CB 4.34Å; D1089-I1154 HydrophobicContact CB-CG2 3.97Å; V1097-I1154 HydrophobicContact CG1-CD1 4.05Å; I1151-I1154 HydrophobicContact CG2-CG1 4.08Å; I1154-F1162 HydrophobicContact CG2-CD2 4.45Å; I1154-I1164 HydrophobicContact CB-CG2 4.46Å; I1154-I1164 HydrophobicContact CG1-CG2 3.87Å; I1154-I1164 HydrophobicContact CG2-CG2 4.5Å |
| 1155 | R | 85 | Confident | 77.1 | Confident | 87 Ų | 87 | 38.5 Ų | 38.5 | 33% | 0.328 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 109 | 179 | -109.7 | -64.7 | -147 | -175.1 | 9.3 | 109.7 | F1162 F1163 L1203 D1204 | R1155-F1162 CarbonylContact O-C 3.56Å; R1155-F1162 WeakPolarHBondContact O-CA 3.38Å; R1155-F1163 HydrophobicContact CB-CB 4.46Å; R1155-F1163 PolarHBondContact N-O 3.09Å; R1155-F1163 PolarHBondContact O-N 2.99Å; R1155-L1203 HydrophobicContact CG-CB 4.34Å; R1155-L1203 WeakPolarHBondContact CG-O 3.38Å; R1155-L1203 PolarHBondContact NE-O 2.97Å; R1155-D1204 IonicContact CZ-OD1 3.16Å; R1155-D1204 IonicContact NE-OD1 2.79Å; R1155-D1204 IonicContact NH2-OD1 2.73Å; R1155-D1204 PolarHBondContact NH2-OD1 2.89Å |
| 1156 | I | 81.7 | Confident | 79.2 | Confident | 23 Ų | 23 | 29.5 Ų | 29.5 | 12% | 0.118 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 145.6 | 177.1 | -63.2 | 169.7 | 0 | 0 | 0 | 110.5 | D1089 F1090 L1091 D1158 F1162 Y1205 | D1089-I1156 HydrophobicContact CB-CD1 3.88Å; D1089-I1156 HydrophobicContact CB-CG1 4.46Å; D1089-I1156 VanDerWaalsContact CG-CD1 3.42Å; D1089-I1156 WeakPolarHBondContact OD2-CD1 3.43Å; D1089-I1156 WeakPolarHBondContact OD2-CG1 3.44Å; F1090-I1156 WeakPolarHBondContact O-CD1 3.29Å; L1091-I1156 HydrophobicContact CD2-CD1 3.91Å; L1091-I1156 HydrophobicContact CD2-CG1 4.07Å; L1091-I1156 HydrophobicContact CD2-CG2 3.92Å; L1091-I1156 HydrophobicContact CG-CD1 4.03Å; I1156-D1158 WeakPolarHBondContact CG2-O 3.36Å; I1156-F1162 HydrophobicContact CG1-CB 4.03Å; I1156-Y1205 WeakPolarHBondContact O-CE1 3.29Å |
| 1157 | I | 77.7 | Confident | 80.8 | Confident | 9 Ų | 9 | 25.9 Ų | 25.9 | 5% | 0.046 | 14% | 0.137 | C | C | . | . | trans | -114.6 | -40.8 | -173.1 | -51.7 | 164.6 | 0 | 0 | 0 | 111.5 | R1161 F1163 Y1173 Y1205 K1207 | I1157-R1161 HydrophobicContact CB-CB 4.17Å; I1157-R1161 WeakPolarHBondContact CB-O 3.41Å; I1157-R1161 HydrophobicContact CD1-CB 3.84Å; I1157-R1161 PolarHBondContact N-O 3.21Å; I1157-F1163 HydrophobicContact CD1-CD1 4.31Å; I1157-F1163 HydrophobicContact CD1-CD2 3.43Å; I1157-F1163 VanDerWaalsContact CD1-CD2 3.43Å; I1157-F1163 HydrophobicContact CD1-CE1 4.04Å; I1157-F1163 HydrophobicContact CD1-CE2 3.1Å; I1157-F1163 HydrophobicContact CD1-CG 4.04Å; I1157-F1163 HydrophobicContact CD1-CZ 3.44Å; I1157-F1163 VanDerWaalsContact CD1-CZ 3.44Å; I1157-F1163 HydrophobicContact CG1-CD2 3.69Å; I1157-F1163 HydrophobicContact CG1-CE2 3.6Å; I1157-F1163 HydrophobicContact CG1-CZ 4.42Å; I1157-Y1173 HydrophobicContact CD1-CD2 4.28Å; I1157-Y1173 HydrophobicContact CD1-CE2 3.84Å; I1157-Y1205 HydrophobicContact CB-CE1 4.39Å; I1157-Y1205 HydrophobicContact CG1-CD1 4.25Å; I1157-Y1205 HydrophobicContact CG1-CE1 4.18Å; I1157-Y1205 HydrophobicContact CG2-CD2 4.29Å; I1157-Y1205 HydrophobicContact CG2-CE1 4.48Å; I1157-Y1205 HydrophobicContact CG2-CE2 3.99Å; I1157-K1207 VanDerWaalsContact CG2-CE 3.44Å; I1157-K1207 WeakPolarHBondContact O-CE 3.29Å; I1157-K1207 PolarHBondContact O-NZ 2.91Å | ||
| 1158 | D | 71.4 | Confident | 81.7 | Confident | 24 Ų | 24 | 26.2 Ų | 26.2 | 13% | 0.128 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -163 | -173.7 | 176 | 55.8 | 50.1 | 0 | 0 | 0 | 109.1 | I1156 S1160 R1161 | I1156-D1158 WeakPolarHBondContact CG2-O 3.36Å; D1158-S1160 PolarHBondContact O-N 3.19Å; D1158-S1160 WeakPolarHBondContact OD1-CA 3.41Å; D1158-S1160 PolarHBondContact OD1-N 2.88Å; D1158-S1160 PolarHBondContact OD1-OG 2.88Å; D1158-R1161 PolarHBondContact O-N 2.79Å; D1158-R1161 PolarHBondContact OD1-N 3.01Å; D1158-R1161 IonicContact OD1-NE 3.32Å; D1158-R1161 IonicContact OD2-CZ 2.9Å; D1158-R1161 IonicContact OD2-NE 3.51Å; D1158-R1161 PolarHBondContact OD2-NE 2.87Å; D1158-R1161 IonicContact OD2-NH2 3.58Å; D1158-R1161 PolarHBondContact OD2-NH2 2.95Å |
| 1159 | E | 71.1 | Confident | 82.4 | Confident | 100 Ų | 100 | 25.6 Ų | 25.6 | 47% | 0.467 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -56.7 | -19.8 | 179.5 | -54.7 | -170.2 | -162.4 | 0 | 0 | 115 | P1092 Q1093 Y1178 | P1092-E1159 HydrophobicContact CB-CG 4.09Å; P1092-E1159 HydrophobicContact CG-CG 4.2Å; Q1093-E1159 PolarHBondContact NE2-OE2 3.37Å; Q1093-E1159 VanDerWaalsContact NE2-OE2 3.11Å; E1159-Y1178 PolarHBondContact O-OH 2.99Å |
| 1160 | S | 71.8 | Confident | 82.9 | Confident | 30 Ų | 30 | 25 Ų | 25 | 21% | 0.21 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -115.7 | -17.6 | -172.6 | 60.5 | 0 | 0 | 0 | 0 | 113.7 | D1158 N1175 V1176 | D1158-S1160 PolarHBondContact O-N 3.19Å; D1158-S1160 WeakPolarHBondContact OD1-CA 3.41Å; D1158-S1160 PolarHBondContact OD1-N 2.88Å; D1158-S1160 PolarHBondContact OD1-OG 2.88Å; S1160-N1175 CarbonylContact O-C 3.6Å; S1160-N1175 VanDerWaalsContact O-CA 3.24Å; S1160-N1175 WeakPolarHBondContact O-CA 3.43Å; S1160-N1175 PolarHBondContact O-OD1 3.11Å; S1160-V1176 WeakPolarHBondContact O-CG2 3.5Å; S1160-V1176 PolarHBondContact O-N 3.49Å |
| 1161 | R | 79.5 | Confident | 83 | Confident | 16 Ų | 16 | 25 Ų | 25 | 6% | 0.06 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 139.5 | -167.7 | -62.1 | -179.9 | -75.9 | -170.7 | -9.9 | 113.8 | I1157 D1158 Y1173 F1174 N1175 I1229 | I1157-R1161 HydrophobicContact CB-CB 4.17Å; I1157-R1161 WeakPolarHBondContact CB-O 3.41Å; I1157-R1161 HydrophobicContact CD1-CB 3.84Å; I1157-R1161 PolarHBondContact N-O 3.21Å; D1158-R1161 PolarHBondContact O-N 2.79Å; D1158-R1161 PolarHBondContact OD1-N 3.01Å; D1158-R1161 IonicContact OD1-NE 3.32Å; D1158-R1161 IonicContact OD2-CZ 2.9Å; D1158-R1161 IonicContact OD2-NE 3.51Å; D1158-R1161 PolarHBondContact OD2-NE 2.87Å; D1158-R1161 IonicContact OD2-NH2 3.58Å; D1158-R1161 PolarHBondContact OD2-NH2 2.95Å; R1161-Y1173 HydrophobicContact CB-CE2 4.18Å; R1161-Y1173 WeakPolarHBondContact CD-OH 3.48Å; R1161-Y1173 HydrophobicContact CG-CE2 4.41Å; R1161-F1174 WeakPolarHBondContact CA-O 3.35Å; R1161-N1175 HydrophobicContact CG-CB 4.3Å; R1161-I1229 PolarHBondContact NH1-O 3.34Å |
| 1162 | F | 85.7 | Confident | 83 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 153.7 | 174.6 | 66 | -90.8 | 0 | 0 | 0 | 112.9 | L1091 I1105 L1119 I1154 R1155 I1156 I1164 F1174 F1187 | L1091-F1162 HydrophobicContact CD2-CD1 4.48Å; I1105-F1162 HydrophobicContact CD1-CE2 4.3Å; L1119-F1162 HydrophobicContact CD1-CZ 4.25Å; I1154-F1162 HydrophobicContact CG2-CD2 4.45Å; R1155-F1162 CarbonylContact O-C 3.56Å; R1155-F1162 WeakPolarHBondContact O-CA 3.38Å; I1156-F1162 HydrophobicContact CG1-CB 4.03Å; F1162-I1164 HydrophobicContact CD2-CG2 3.95Å; F1162-I1164 HydrophobicContact CE2-CG2 4.02Å; F1162-F1174 HydrophobicContact CD1-CB 4.08Å; F1162-F1174 HydrophobicContact CD2-CB 4.08Å; F1162-F1174 HydrophobicContact CD2-CD2 4.29Å; F1162-F1174 HydrophobicContact CD2-CG 4.48Å; F1162-F1174 HydrophobicContact CE1-CB 3.69Å; F1162-F1174 HydrophobicContact CE1-CG 4.47Å; F1162-F1174 HydrophobicContact CE2-CB 3.68Å; F1162-F1174 AromaticContact CE2-CD2 3.73Å; F1162-F1174 HydrophobicContact CE2-CD2 3.73Å; F1162-F1174 AromaticContact CE2-CG 3.77Å; F1162-F1174 HydrophobicContact CE2-CG 3.77Å; F1162-F1174 HydrophobicContact CG-CB 4.27Å; F1162-F1174 HydrophobicContact CZ-CB 3.47Å; F1162-F1174 VanDerWaalsContact CZ-CB 3.47Å; F1162-F1174 HydrophobicContact CZ-CD1 4.34Å; F1162-F1174 HydrophobicContact CZ-CD2 4.21Å; F1162-F1174 AromaticContact CZ-CG 3.77Å; F1162-F1174 HydrophobicContact CZ-CG 3.77Å; F1162-F1174 PolarHBondContact N-O 3.21Å; F1162-F1174 VanDerWaalsContact N-O 3.11Å; F1162-F1174 PolarHBondContact O-N 2.95Å; F1162-F1187 HydrophobicContact CE1-CD1 4.17Å |
| 1163 | F | 88 | Confident | 83.1 | Confident | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.009 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 155.5 | 171.3 | -60.2 | -65 | 0 | 0 | 0 | 110.8 | R1155 I1157 A1172 Y1173 Y1205 V1231 L1233 | R1155-F1163 HydrophobicContact CB-CB 4.46Å; R1155-F1163 PolarHBondContact N-O 3.09Å; R1155-F1163 PolarHBondContact O-N 2.99Å; I1157-F1163 HydrophobicContact CD1-CD1 4.31Å; I1157-F1163 HydrophobicContact CD1-CD2 3.43Å; I1157-F1163 VanDerWaalsContact CD1-CD2 3.43Å; I1157-F1163 HydrophobicContact CD1-CE1 4.04Å; I1157-F1163 HydrophobicContact CD1-CE2 3.1Å; I1157-F1163 HydrophobicContact CD1-CG 4.04Å; I1157-F1163 HydrophobicContact CD1-CZ 3.44Å; I1157-F1163 VanDerWaalsContact CD1-CZ 3.44Å; I1157-F1163 HydrophobicContact CG1-CD2 3.69Å; I1157-F1163 HydrophobicContact CG1-CE2 3.6Å; I1157-F1163 HydrophobicContact CG1-CZ 4.42Å; F1163-A1172 CarbonylContact C-O 3.52Å; F1163-A1172 VanDerWaalsContact CA-O 3.31Å; F1163-A1172 WeakPolarHBondContact CA-O 3.24Å; F1163-Y1173 AromaticContact CD1-CD2 3.54Å; F1163-Y1173 HydrophobicContact CD1-CD2 3.54Å; F1163-Y1173 HydrophobicContact CD1-CE2 4.41Å; F1163-Y1173 AromaticContact CD1-CG 3.85Å; F1163-Y1173 HydrophobicContact CD1-CG 3.85Å; F1163-Y1173 HydrophobicContact CE1-CD1 4.17Å; F1163-Y1173 AromaticContact CE1-CD2 3.19Å; F1163-Y1173 HydrophobicContact CE1-CD2 3.19Å; F1163-Y1173 AromaticContact CE1-CE2 3.74Å; F1163-Y1173 HydrophobicContact CE1-CE2 3.74Å; F1163-Y1173 AromaticContact CE1-CG 3.45Å; F1163-Y1173 HydrophobicContact CE1-CG 3.45Å; F1163-Y1173 VanDerWaalsContact CE1-CG 3.45Å; F1163-Y1173 HydrophobicContact CZ-CD2 4.01Å; F1163-Y1173 HydrophobicContact CZ-CE2 4.11Å; F1163-Y1205 HydrophobicContact CD2-CD1 4.49Å; F1163-Y1205 HydrophobicContact CE2-CD1 4.38Å; F1163-Y1205 HydrophobicContact CE2-CG 4.33Å; F1163-V1231 HydrophobicContact CE2-CG1 3.89Å; F1163-V1231 HydrophobicContact CZ-CB 4.38Å; F1163-V1231 HydrophobicContact CZ-CG1 3.77Å; F1163-L1233 HydrophobicContact CB-CD1 4.37Å; F1163-L1233 HydrophobicContact CD1-CD1 4.09Å; F1163-L1233 HydrophobicContact CD1-CD2 3.55Å; F1163-L1233 HydrophobicContact CD1-CG 4.38Å; F1163-L1233 HydrophobicContact CD2-CD1 3.39Å; F1163-L1233 HydrophobicContact CD2-CD2 4.43Å; F1163-L1233 HydrophobicContact CD2-CG 4.45Å; F1163-L1233 HydrophobicContact CE1-CB 4.4Å; F1163-L1233 HydrophobicContact CE1-CD1 4.17Å; F1163-L1233 HydrophobicContact CE1-CD2 3.59Å; F1163-L1233 HydrophobicContact CE1-CG 4.27Å; F1163-L1233 HydrophobicContact CE2-CB 4.41Å; F1163-L1233 HydrophobicContact CE2-CD1 3.48Å; F1163-L1233 VanDerWaalsContact CE2-CD1 3.48Å; F1163-L1233 HydrophobicContact CE2-CD2 4.44Å; F1163-L1233 HydrophobicContact CE2-CG 4.32Å; F1163-L1233 HydrophobicContact CG-CD1 3.71Å; F1163-L1233 HydrophobicContact CG-CD2 4Å; F1163-L1233 HydrophobicContact CG-CG 4.47Å; F1163-L1233 HydrophobicContact CZ-CB 4.09Å; F1163-L1233 HydrophobicContact CZ-CD1 3.88Å; F1163-L1233 HydrophobicContact CZ-CD2 4.05Å; F1163-L1233 HydrophobicContact CZ-CG 4.23Å |
| 1164 | I | 88.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 151 | 170 | 65.3 | 170.9 | 0 | 0 | 0 | 112 | I1105 L1121 I1151 I1153 I1154 F1162 V1171 A1172 F1174 | I1105-I1164 HydrophobicContact CD1-CD1 3.78Å; I1105-I1164 HydrophobicContact CD1-CG2 4.34Å; L1121-I1164 HydrophobicContact CD1-CD1 3.65Å; L1121-I1164 HydrophobicContact CD2-CD1 4.23Å; L1121-I1164 HydrophobicContact CG-CD1 4.04Å; I1151-I1164 HydrophobicContact CG1-CD1 4.26Å; I1151-I1164 HydrophobicContact CG2-CB 4.16Å; I1151-I1164 HydrophobicContact CG2-CG2 4.44Å; I1153-I1164 WeakPolarHBondContact O-CA 3.39Å; I1154-I1164 HydrophobicContact CB-CG2 4.46Å; I1154-I1164 HydrophobicContact CG1-CG2 3.87Å; I1154-I1164 HydrophobicContact CG2-CG2 4.5Å; F1162-I1164 HydrophobicContact CD2-CG2 3.95Å; F1162-I1164 HydrophobicContact CE2-CG2 4.02Å; I1164-V1171 WeakPolarHBondContact O-CA 3.46Å; I1164-A1172 HydrophobicContact CD1-CB 4.21Å; I1164-A1172 HydrophobicContact CG1-CB 3.81Å; I1164-A1172 PolarHBondContact N-O 2.84Å; I1164-A1172 PolarHBondContact O-N 3.21Å; I1164-A1172 VanDerWaalsContact O-N 3.08Å; I1164-F1174 HydrophobicContact CD1-CE2 3.7Å; I1164-F1174 HydrophobicContact CD1-CZ 4.4Å; I1164-F1174 HydrophobicContact CG1-CE2 3.99Å |
| 1165 | G | 86.7 | Confident | 82.8 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 152.8 | 168 | 0 | 0 | 0 | 0 | 0 | 111.2 | I1151 T1152 I1153 | I1151-G1165 CarbonylContact C-O 3.5Å; I1151-G1165 WeakPolarHBondContact CA-O 3.3Å; I1151-G1165 WeakPolarHBondContact CG2-O 3.4Å; T1152-G1165 PolarHBondContact N-O 2.94Å; T1152-G1165 PolarHBondContact OG1-O 3.25Å; I1153-G1165 PolarHBondContact N-O 3.49Å; I1153-G1165 PolarHBondContact O-N 2.78Å |
| 1166 | T | 88.5 | Confident | 82.4 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 161.2 | -174.8 | 61.2 | 0 | 0 | 0 | 0 | 112.9 | L1121 P1148 I1151 H1168 G1169 V1170 A1199 I1200 | L1121-T1166 HydrophobicContact CD1-CG2 3.51Å; P1148-T1166 HydrophobicContact CB-CG2 4.42Å; P1148-T1166 VanDerWaalsContact O-CB 3.31Å; P1148-T1166 WeakPolarHBondContact O-CB 3.42Å; P1148-T1166 PolarHBondContact O-OG1 2.94Å; I1151-T1166 HydrophobicContact CG1-CG2 4.45Å; T1166-H1168 VanDerWaalsContact C-N 3.28Å; T1166-H1168 PolarHBondContact O-N 3.38Å; T1166-G1169 PolarHBondContact O-N 3.49Å; T1166-V1170 PolarHBondContact N-O 3.38Å; T1166-V1170 WeakPolarHBondContact OG1-CA 3.4Å; T1166-V1170 VanDerWaalsContact OG1-CB 3.31Å; T1166-V1170 WeakPolarHBondContact OG1-CB 3.33Å; T1166-V1170 PolarHBondContact OG1-N 2.88Å; T1166-V1170 PolarHBondContact OG1-O 2.78Å; T1166-A1199 WeakPolarHBondContact O-CA 3.38Å; T1166-I1200 PolarHBondContact O-N 3.09Å |
| 1167 | S | 86.2 | Confident | 81.7 | Confident | 28 Ų | 28 | 20.7 Ų | 20.7 | 20% | 0.196 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -18.2 | 179.7 | 43.5 | 0 | 0 | 0 | 0 | 114.9 | G1150 A1199 | G1150-S1167 PolarHBondContact N-OG 3.23Å; G1150-S1167 PolarHBondContact O-N 3.31Å; G1150-S1167 PolarHBondContact O-OG 2.87Å; S1167-A1199 WeakPolarHBondContact O-CA 3.48Å; S1167-A1199 PolarHBondContact O-N 2.94Å |
| 1168 | H | 84.4 | Confident | 81 | Confident | 111 Ų | 111 | 24.5 Ų | 24.5 | 51% | 0.514 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 25.4 | 170.1 | -66.7 | -61.6 | 0 | 0 | 0 | 114 | N1147 P1148 T1166 V1170 | N1147-H1168 PolarHBondContact O-CD2 3.07Å; P1148-H1168 WeakPolarHBondContact O-CB 3.18Å; P1148-H1168 PolarHBondContact O-N 3.45Å; T1166-H1168 VanDerWaalsContact C-N 3.28Å; T1166-H1168 PolarHBondContact O-N 3.38Å; H1168-V1170 VanDerWaalsContact C-N 3.34Å; H1168-V1170 PolarHBondContact O-N 2.94Å |
| 1169 | G | 82.7 | Confident | 80.4 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 77.9 | 13.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | T1166 H1196 R1198 I1200 | T1166-G1169 PolarHBondContact O-N 3.49Å; G1169-H1196 PolarHBondContact O-N 2.76Å; G1169-R1198 WeakPolarHBondContact CA-O 3.49Å; G1169-R1198 PolarHBondContact N-O 2.75Å; G1169-I1200 VanDerWaalsContact C-CD1 3.43Å |
| 1170 | V | 86.2 | Confident | 79.3 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.012 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 124.4 | 174.2 | -167.9 | 0 | 0 | 0 | 0 | 109.9 | P1148 T1166 H1168 Q1192 I1200 | P1148-V1170 HydrophobicContact CB-CG2 4.28Å; T1166-V1170 PolarHBondContact N-O 3.38Å; T1166-V1170 WeakPolarHBondContact OG1-CA 3.4Å; T1166-V1170 VanDerWaalsContact OG1-CB 3.31Å; T1166-V1170 WeakPolarHBondContact OG1-CB 3.33Å; T1166-V1170 PolarHBondContact OG1-N 2.88Å; T1166-V1170 PolarHBondContact OG1-O 2.78Å; H1168-V1170 VanDerWaalsContact C-N 3.34Å; H1168-V1170 PolarHBondContact O-N 2.94Å; V1170-Q1192 HydrophobicContact CG1-CG 3.45Å; V1170-Q1192 VanDerWaalsContact CG1-CG 3.45Å; V1170-I1200 WeakPolarHBondContact O-CD1 3.32Å |
| 1171 | V | 86.5 | Confident | 78.4 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 137.1 | 169.1 | -176.4 | 0 | 0 | 0 | 0 | 108.3 | I1164 Q1192 W1193 I1200 L1203 L1233 F1245 | I1164-V1171 WeakPolarHBondContact O-CA 3.46Å; V1171-Q1192 CarbonylContact O-C 3.59Å; V1171-Q1192 WeakPolarHBondContact O-CA 3.5Å; V1171-W1193 HydrophobicContact CB-CB 4.48Å; V1171-W1193 HydrophobicContact CB-CE3 4.27Å; V1171-W1193 HydrophobicContact CG1-CE3 4.05Å; V1171-W1193 HydrophobicContact CG1-CZ3 4.45Å; V1171-W1193 PolarHBondContact N-O 3.18Å; V1171-W1193 VanDerWaalsContact N-O 3.11Å; V1171-W1193 PolarHBondContact O-N 3.5Å; V1171-I1200 HydrophobicContact CB-CD1 4.4Å; V1171-I1200 HydrophobicContact CG2-CD1 3.47Å; V1171-I1200 VanDerWaalsContact CG2-CD1 3.47Å; V1171-I1200 HydrophobicContact CG2-CG1 4.17Å; V1171-L1203 HydrophobicContact CG1-CD2 3.92Å; V1171-L1233 HydrophobicContact CG1-CD2 3.55Å; V1171-F1245 HydrophobicContact CB-CE2 4.48Å; V1171-F1245 HydrophobicContact CG2-CE2 4.16Å |
| 1172 | A | 85.8 | Confident | 76.7 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 152.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1121 F1163 I1164 F1174 L1189 Q1192 | L1121-A1172 HydrophobicContact CD2-CB 3.71Å; F1163-A1172 CarbonylContact C-O 3.52Å; F1163-A1172 VanDerWaalsContact CA-O 3.31Å; F1163-A1172 WeakPolarHBondContact CA-O 3.24Å; I1164-A1172 HydrophobicContact CD1-CB 4.21Å; I1164-A1172 HydrophobicContact CG1-CB 3.81Å; I1164-A1172 PolarHBondContact N-O 2.84Å; I1164-A1172 PolarHBondContact O-N 3.21Å; I1164-A1172 VanDerWaalsContact O-N 3.08Å; A1172-F1174 HydrophobicContact CB-CE2 3.83Å; A1172-L1189 HydrophobicContact CB-CD1 3.87Å; A1172-Q1192 HydrophobicContact CB-CB 4.46Å; A1172-Q1192 HydrophobicContact CB-CG 4.4Å |
| 1173 | Y | 85.8 | Confident | 74.8 | Confident | 9 Ų | 9 | 47.8 Ų | 47.8 | 4% | 0.035 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 121.8 | -171.8 | 174.5 | -149.2 | 0 | 0 | 0 | 110.5 | I1157 R1161 F1163 I1190 R1191 W1193 | I1157-Y1173 HydrophobicContact CD1-CD2 4.28Å; I1157-Y1173 HydrophobicContact CD1-CE2 3.84Å; R1161-Y1173 HydrophobicContact CB-CE2 4.18Å; R1161-Y1173 WeakPolarHBondContact CD-OH 3.48Å; R1161-Y1173 HydrophobicContact CG-CE2 4.41Å; F1163-Y1173 AromaticContact CD1-CD2 3.54Å; F1163-Y1173 HydrophobicContact CD1-CD2 3.54Å; F1163-Y1173 HydrophobicContact CD1-CE2 4.41Å; F1163-Y1173 AromaticContact CD1-CG 3.85Å; F1163-Y1173 HydrophobicContact CD1-CG 3.85Å; F1163-Y1173 HydrophobicContact CE1-CD1 4.17Å; F1163-Y1173 AromaticContact CE1-CD2 3.19Å; F1163-Y1173 HydrophobicContact CE1-CD2 3.19Å; F1163-Y1173 AromaticContact CE1-CE2 3.74Å; F1163-Y1173 HydrophobicContact CE1-CE2 3.74Å; F1163-Y1173 AromaticContact CE1-CG 3.45Å; F1163-Y1173 HydrophobicContact CE1-CG 3.45Å; F1163-Y1173 VanDerWaalsContact CE1-CG 3.45Å; F1163-Y1173 HydrophobicContact CZ-CD2 4.01Å; F1163-Y1173 HydrophobicContact CZ-CE2 4.11Å; Y1173-I1190 HydrophobicContact CD1-CB 3.64Å; Y1173-I1190 HydrophobicContact CD1-CD1 4.31Å; Y1173-I1190 HydrophobicContact CD1-CG2 3.54Å; Y1173-I1190 HydrophobicContact CE1-CB 3.99Å; Y1173-I1190 HydrophobicContact CE1-CD1 3.84Å; Y1173-I1190 HydrophobicContact CE1-CG2 3.65Å; Y1173-I1190 HydrophobicContact CG-CB 4.2Å; Y1173-I1190 PolarHBondContact O-N 3.34Å; Y1173-R1191 PolarHBondContact N-O 2.92Å; Y1173-W1193 HydrophobicContact CD1-CH2 4.42Å |
| 1174 | F | 85.5 | Confident | 73.1 | Confident | 8 Ų | 8 | 53.5 Ų | 53.5 | 4% | 0.035 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 151.2 | -175.7 | -69.6 | -97.3 | 0 | 0 | 0 | 112 | I1105 L1119 L1121 R1161 F1162 I1164 A1172 R1188 L1189 | I1105-F1174 HydrophobicContact CD1-CE2 4.13Å; I1105-F1174 HydrophobicContact CD1-CZ 4.08Å; L1119-F1174 HydrophobicContact CB-CE1 4.49Å; L1119-F1174 HydrophobicContact CD1-CD1 3.9Å; L1119-F1174 HydrophobicContact CD1-CE1 3.91Å; L1121-F1174 HydrophobicContact CD2-CE2 4.4Å; L1121-F1174 HydrophobicContact CD2-CZ 4.1Å; R1161-F1174 WeakPolarHBondContact CA-O 3.35Å; F1162-F1174 HydrophobicContact CD1-CB 4.08Å; F1162-F1174 HydrophobicContact CD2-CB 4.08Å; F1162-F1174 HydrophobicContact CD2-CD2 4.29Å; F1162-F1174 HydrophobicContact CD2-CG 4.48Å; F1162-F1174 HydrophobicContact CE1-CB 3.69Å; F1162-F1174 HydrophobicContact CE1-CG 4.47Å; F1162-F1174 HydrophobicContact CE2-CB 3.68Å; F1162-F1174 AromaticContact CE2-CD2 3.73Å; F1162-F1174 HydrophobicContact CE2-CD2 3.73Å; F1162-F1174 AromaticContact CE2-CG 3.77Å; F1162-F1174 HydrophobicContact CE2-CG 3.77Å; F1162-F1174 HydrophobicContact CG-CB 4.27Å; F1162-F1174 HydrophobicContact CZ-CB 3.47Å; F1162-F1174 VanDerWaalsContact CZ-CB 3.47Å; F1162-F1174 HydrophobicContact CZ-CD1 4.34Å; F1162-F1174 HydrophobicContact CZ-CD2 4.21Å; F1162-F1174 AromaticContact CZ-CG 3.77Å; F1162-F1174 HydrophobicContact CZ-CG 3.77Å; F1162-F1174 PolarHBondContact N-O 3.21Å; F1162-F1174 VanDerWaalsContact N-O 3.11Å; F1162-F1174 PolarHBondContact O-N 2.95Å; I1164-F1174 HydrophobicContact CD1-CE2 3.7Å; I1164-F1174 HydrophobicContact CD1-CZ 4.4Å; I1164-F1174 HydrophobicContact CG1-CE2 3.99Å; A1172-F1174 HydrophobicContact CB-CE2 3.83Å; F1174-R1188 WeakPolarHBondContact CA-O 3.48Å; F1174-L1189 HydrophobicContact CD1-CB 4.26Å; F1174-L1189 HydrophobicContact CD1-CD1 4.43Å; F1174-L1189 HydrophobicContact CD2-CD1 4.28Å; F1174-L1189 HydrophobicContact CE1-CB 3.98Å; F1174-L1189 HydrophobicContact CE1-CD1 4.02Å; F1174-L1189 HydrophobicContact CE2-CD1 3.83Å; F1174-L1189 HydrophobicContact CZ-CB 4.48Å; F1174-L1189 HydrophobicContact CZ-CD1 3.69Å |
| 1175 | N | 80.7 | Confident | 71.7 | Confident | 34 Ų | 34 | 55.6 Ų | 55.6 | 18% | 0.182 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 135.7 | 174.5 | -175.6 | 19.5 | 0 | 0 | 0 | 111 | S1160 R1161 R1188 I1190 | S1160-N1175 CarbonylContact O-C 3.6Å; S1160-N1175 VanDerWaalsContact O-CA 3.24Å; S1160-N1175 WeakPolarHBondContact O-CA 3.43Å; S1160-N1175 PolarHBondContact O-OD1 3.11Å; R1161-N1175 HydrophobicContact CG-CB 4.3Å; N1175-R1188 PolarHBondContact N-O 3.44Å; N1175-R1188 PolarHBondContact O-N 2.95Å; N1175-I1190 HydrophobicContact CB-CD1 3.51Å; N1175-I1190 HydrophobicContact CB-CG1 3.99Å |
| 1176 | V | 75.5 | Confident | 70.5 | Confident | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.012 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 107.5 | 177 | -165.3 | 0 | 0 | 0 | 0 | 108.1 | L1091 S1160 Y1178 Q1185 F1187 | L1091-V1176 HydrophobicContact CD1-CG2 4.41Å; S1160-V1176 WeakPolarHBondContact O-CG2 3.5Å; S1160-V1176 PolarHBondContact O-N 3.49Å; V1176-Y1178 HydrophobicContact CB-CE2 3.99Å; V1176-Y1178 HydrophobicContact CG1-CE1 3.95Å; V1176-Y1178 HydrophobicContact CG1-CE2 4Å; V1176-Y1178 WeakPolarHBondContact O-CD2 3.21Å; V1176-Y1178 WeakPolarHBondContact O-CE2 3.42Å; V1176-Q1185 HydrophobicContact CG1-CB 3.99Å; V1176-Q1185 HydrophobicContact CG1-CG 4.42Å; V1176-F1187 HydrophobicContact CB-CD1 4.3Å; V1176-F1187 HydrophobicContact CB-CE1 4.13Å; V1176-F1187 HydrophobicContact CG1-CD1 4.11Å; V1176-F1187 HydrophobicContact CG1-CE1 3.69Å; V1176-F1187 HydrophobicContact CG1-CZ 3.94Å; V1176-F1187 HydrophobicContact CG2-CD1 3.63Å; V1176-F1187 HydrophobicContact CG2-CE1 3.39Å; V1176-F1187 HydrophobicContact CG2-CZ 4.4Å |
| 1177 | V | 67.6 | Low | 69.7 | Low | 59 Ų | 59 | 59.8 Ų | 59.8 | 36% | 0.358 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 110.8 | 178.5 | -179.4 | 0 | 0 | 0 | 0 | 108.9 | T1179 T1186 | V1177-T1179 PolarHBondContact O-N 2.64Å; V1177-T1186 PolarHBondContact N-O 3.43Å; V1177-T1186 PolarHBondContact O-N 2.88Å; V1177-T1186 VanDerWaalsContact O-N 3.09Å; V1177-T1186 PolarHBondContact O-OG1 3.37Å |
| 1178 | Y | 62.9 | Low | 69 | Low | 88 Ų | 88 | 66.9 Ų | 66.9 | 35% | 0.345 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 106.1 | 175.9 | -58 | -83.8 | 0 | 0 | 0 | 110.1 | Q1093 E1159 V1176 K1180 Q1185 | Q1093-Y1178 VanDerWaalsContact CD-OH 3.31Å; Q1093-Y1178 PolarHBondContact NE2-OH 3.3Å; Q1093-Y1178 PolarHBondContact OE1-OH 3.17Å; Q1093-Y1178 VanDerWaalsContact OE1-OH 3.04Å; E1159-Y1178 PolarHBondContact O-OH 2.99Å; V1176-Y1178 HydrophobicContact CB-CE2 3.99Å; V1176-Y1178 HydrophobicContact CG1-CE1 3.95Å; V1176-Y1178 HydrophobicContact CG1-CE2 4Å; V1176-Y1178 WeakPolarHBondContact O-CD2 3.21Å; V1176-Y1178 WeakPolarHBondContact O-CE2 3.42Å; Y1178-K1180 PolarHBondContact O-N 3.22Å; Y1178-Q1185 HydrophobicContact CD1-CG 3.95Å; Y1178-Q1185 HydrophobicContact CE1-CG 3.75Å |
| 1179 | T | 59 | Low | 68.6 | Low | 63 Ų | 63 | 63.8 Ų | 63.8 | 39% | 0.387 | 33% | 0.332 | S | S | . | . | trans | -77 | 109 | 175.7 | 52.5 | 0 | 0 | 0 | 0 | 110.6 | V1177 G1181 N1182 L1184 | V1177-T1179 PolarHBondContact O-N 2.64Å; T1179-G1181 PolarHBondContact O-N 2.69Å; T1179-G1181 VanDerWaalsContact O-N 3.09Å; T1179-N1182 PolarHBondContact O-N 2.98Å; T1179-N1182 VanDerWaalsContact O-O 3.1Å; T1179-L1184 PolarHBondContact OG1-O 3.25Å | ||
| 1180 | K | 48.1 | Very low | 68.3 | Low | 220 Ų | 220 | 67.1 Ų | 67.1 | 96% | 0.957 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | 119.3 | 170.8 | -90.1 | -172.5 | 173.5 | -178.5 | 0 | 110.1 | Y1178 | Y1178-K1180 PolarHBondContact O-N 3.22Š|
| 1181 | G | 53.3 | Low | 67.9 | Low | 80 Ų | 80 | 69.8 Ų | 69.8 | 83% | 0.825 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 117.6 | -21.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | T1179 | T1179-G1181 PolarHBondContact O-N 2.69Å; T1179-G1181 VanDerWaalsContact O-N 3.09Å |
| 1182 | N | 42.2 | Very low | 67.6 | Low | 116 Ų | 116 | 71.6 Ų | 71.6 | 62% | 0.62 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -134.8 | 143 | 174.8 | -85.3 | -42.8 | 0 | 0 | 0 | 110.9 | T1179 L1184 | T1179-N1182 PolarHBondContact O-N 2.98Å; T1179-N1182 VanDerWaalsContact O-O 3.1Å; N1182-L1184 HydrophobicContact CB-CB 4.4Å; N1182-L1184 PolarHBondContact O-N 2.73Å; N1182-L1184 VanDerWaalsContact O-N 3.07Å |
| 1183 | L | 47.1 | Very low | 67.4 | Low | 181 Ų | 181 | 72.1 Ų | 72.1 | 95% | 0.948 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -70 | 5 | 173 | -80.3 | 161.1 | 0 | 0 | 0 | 113.8 | Q1185 | L1183-Q1185 PolarHBondContact O-N 2.77Š|
| 1184 | L | 51.3 | Low | 67.2 | Low | 122 Ų | 122 | 77.3 Ų | 77.3 | 64% | 0.639 | 39% | 0.394 | S | S | * | . | trans | -78.6 | 105.5 | 176.8 | -71.5 | 168.4 | 0 | 0 | 0 | 110.2 | T1179 N1182 | T1179-L1184 PolarHBondContact OG1-O 3.25Å; N1182-L1184 HydrophobicContact CB-CB 4.4Å; N1182-L1184 PolarHBondContact O-N 2.73Å; N1182-L1184 VanDerWaalsContact O-N 3.07Å | ||
| 1185 | Q | 59.6 | Low | 66.6 | Low | 43 Ų | 43 | 78.1 Ų | 78.1 | 20% | 0.201 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 132.2 | 171.5 | -64.8 | 160.4 | -15.8 | 0 | 0 | 109.2 | V1176 Y1178 L1183 F1187 | V1176-Q1185 HydrophobicContact CG1-CB 3.99Å; V1176-Q1185 HydrophobicContact CG1-CG 4.42Å; Y1178-Q1185 HydrophobicContact CD1-CG 3.95Å; Y1178-Q1185 HydrophobicContact CE1-CG 3.75Å; L1183-Q1185 PolarHBondContact O-N 2.77Å; Q1185-F1187 HydrophobicContact CB-CE2 3.95Å; Q1185-F1187 HydrophobicContact CB-CZ 4.15Å |
| 1186 | T | 62 | Low | 66.7 | Low | 64 Ų | 64 | 77.2 Ų | 77.2 | 39% | 0.393 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 119.7 | 179.2 | 58.3 | 0 | 0 | 0 | 0 | 110.7 | V1177 | V1177-T1186 PolarHBondContact N-O 3.43Å; V1177-T1186 PolarHBondContact O-N 2.88Å; V1177-T1186 VanDerWaalsContact O-N 3.09Å; V1177-T1186 PolarHBondContact O-OG1 3.37Å |
| 1187 | F | 70.5 | Confident | 67 | Low | 24 Ų | 24 | 81.7 Ų | 81.7 | 11% | 0.105 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 118.8 | -175 | -62.5 | -92.3 | 0 | 0 | 0 | 110.4 | L1091 L1095 I1107 D1117 L1119 F1162 V1176 Q1185 | L1091-F1187 HydrophobicContact CD1-CE1 4.3Å; L1095-F1187 HydrophobicContact CD1-CZ 4.4Å; I1107-F1187 HydrophobicContact CD1-CD1 3.49Å; I1107-F1187 VanDerWaalsContact CD1-CD1 3.49Å; I1107-F1187 HydrophobicContact CD1-CD2 3.94Å; I1107-F1187 HydrophobicContact CD1-CE1 3.47Å; I1107-F1187 VanDerWaalsContact CD1-CE1 3.47Å; I1107-F1187 HydrophobicContact CD1-CE2 3.94Å; I1107-F1187 HydrophobicContact CD1-CG 3.76Å; I1107-F1187 HydrophobicContact CD1-CZ 3.73Å; I1107-F1187 HydrophobicContact CG2-CE1 4.34Å; I1107-F1187 HydrophobicContact CG2-CE2 4.23Å; I1107-F1187 HydrophobicContact CG2-CZ 3.79Å; D1117-F1187 HydrophobicContact CB-CD2 4.34Å; L1119-F1187 HydrophobicContact CD1-CB 3.67Å; L1119-F1187 HydrophobicContact CD1-CG 4.2Å; L1119-F1187 HydrophobicContact CD2-CB 3.77Å; L1119-F1187 HydrophobicContact CG-CB 4.32Å; F1162-F1187 HydrophobicContact CE1-CD1 4.17Å; V1176-F1187 HydrophobicContact CB-CD1 4.3Å; V1176-F1187 HydrophobicContact CB-CE1 4.13Å; V1176-F1187 HydrophobicContact CG1-CD1 4.11Å; V1176-F1187 HydrophobicContact CG1-CE1 3.69Å; V1176-F1187 HydrophobicContact CG1-CZ 3.94Å; V1176-F1187 HydrophobicContact CG2-CD1 3.63Å; V1176-F1187 HydrophobicContact CG2-CE1 3.39Å; V1176-F1187 HydrophobicContact CG2-CZ 4.4Å; Q1185-F1187 HydrophobicContact CB-CE2 3.95Å; Q1185-F1187 HydrophobicContact CB-CZ 4.15Å |
| 1188 | R | 72.4 | Confident | 67.8 | Low | 177 Ų | 177 | 85 Ų | 85 | 67% | 0.668 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 125 | -175.8 | -177.3 | 172.6 | 178.4 | 175.8 | 1.2 | 111.3 | F1174 N1175 I1190 | F1174-R1188 WeakPolarHBondContact CA-O 3.48Å; N1175-R1188 PolarHBondContact N-O 3.44Å; N1175-R1188 PolarHBondContact O-N 2.95Å; R1188-I1190 PolarHBondContact O-N 3.41Å |
| 1189 | L | 76.3 | Confident | 68.9 | Low | 46 Ų | 46 | 81.4 Ų | 81.4 | 24% | 0.241 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 126.3 | 164.6 | -178.5 | 70.6 | 0 | 0 | 0 | 109.5 | I1124 A1172 F1174 R1191 Q1192 | I1124-L1189 HydrophobicContact CD1-CD2 4.16Å; A1172-L1189 HydrophobicContact CB-CD1 3.87Å; F1174-L1189 HydrophobicContact CD1-CB 4.26Å; F1174-L1189 HydrophobicContact CD1-CD1 4.43Å; F1174-L1189 HydrophobicContact CD2-CD1 4.28Å; F1174-L1189 HydrophobicContact CE1-CB 3.98Å; F1174-L1189 HydrophobicContact CE1-CD1 4.02Å; F1174-L1189 HydrophobicContact CE2-CD1 3.83Å; F1174-L1189 HydrophobicContact CZ-CB 4.48Å; F1174-L1189 HydrophobicContact CZ-CD1 3.69Å; L1189-R1191 WeakPolarHBondContact CD1-O 3.29Å; L1189-Q1192 HydrophobicContact CD2-CB 4.41Å |
| 1190 | I | 75.7 | Confident | 70.2 | Confident | 71 Ų | 71 | 78.5 Ų | 78.5 | 36% | 0.364 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -53.7 | 174.5 | -69.8 | -177.5 | 0 | 0 | 0 | 110.8 | Y1173 N1175 R1188 | Y1173-I1190 HydrophobicContact CD1-CB 3.64Å; Y1173-I1190 HydrophobicContact CD1-CD1 4.31Å; Y1173-I1190 HydrophobicContact CD1-CG2 3.54Å; Y1173-I1190 HydrophobicContact CE1-CB 3.99Å; Y1173-I1190 HydrophobicContact CE1-CD1 3.84Å; Y1173-I1190 HydrophobicContact CE1-CG2 3.65Å; Y1173-I1190 HydrophobicContact CG-CB 4.2Å; Y1173-I1190 PolarHBondContact O-N 3.34Å; N1175-I1190 HydrophobicContact CB-CD1 3.51Å; N1175-I1190 HydrophobicContact CB-CG1 3.99Å; R1188-I1190 PolarHBondContact O-N 3.41Å |
| 1191 | R | 78 | Confident | 71.8 | Confident | 58 Ų | 58 | 69.8 Ų | 69.8 | 22% | 0.219 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 156.8 | 180 | -75.6 | -174.8 | -144.8 | -98.4 | 9 | 111.5 | Y1173 L1189 W1193 S1247 E1248 D1250 | Y1173-R1191 PolarHBondContact N-O 2.92Å; L1189-R1191 WeakPolarHBondContact CD1-O 3.29Å; R1191-W1193 HydrophobicContact CB-CH2 3.94Å; R1191-W1193 HydrophobicContact CB-CZ2 3.91Å; R1191-W1193 HydrophobicContact CB-CZ3 4.28Å; R1191-W1193 HydrophobicContact CG-CZ2 4.46Å; R1191-S1247 VanDerWaalsContact CZ-O 3.3Å; R1191-S1247 PolarHBondContact NE-O 3Å; R1191-S1247 PolarHBondContact NH2-O 3.13Å; R1191-E1248 PolarHBondContact NH2-O 2.7Å; R1191-D1250 WeakPolarHBondContact CD-OD1 3.37Å; R1191-D1250 IonicContact CZ-OD1 2.67Å; R1191-D1250 IonicContact NE-OD1 3.67Å; R1191-D1250 IonicContact NH1-OD1 3.2Å; R1191-D1250 PolarHBondContact NH1-OD1 2.74Å; R1191-D1250 IonicContact NH1-OD2 3.27Å; R1191-D1250 PolarHBondContact NH1-OD2 2.87Å |
| 1192 | Q | 80.3 | Confident | 73.2 | Confident | 38 Ų | 38 | 68 Ų | 68 | 18% | 0.178 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 121 | 179.1 | 179.4 | 171.8 | -30.4 | 0 | 0 | 110 | V1170 V1171 A1172 L1189 H1194 | V1170-Q1192 HydrophobicContact CG1-CG 3.45Å; V1170-Q1192 VanDerWaalsContact CG1-CG 3.45Å; V1171-Q1192 CarbonylContact O-C 3.59Å; V1171-Q1192 WeakPolarHBondContact O-CA 3.5Å; A1172-Q1192 HydrophobicContact CB-CB 4.46Å; A1172-Q1192 HydrophobicContact CB-CG 4.4Å; L1189-Q1192 HydrophobicContact CD2-CB 4.41Å; Q1192-H1194 PolarHBondContact NE2-CE1 2.73Å; Q1192-H1194 PolarHBondContact NE2-NE2 2.89Å |
| 1193 | W | 82.4 | Confident | 75.3 | Confident | 12 Ų | 12 | 62.7 Ų | 62.7 | 5% | 0.045 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 106.9 | -175.7 | -60.7 | -85.5 | 0 | 0 | 0 | 111.3 | V1171 Y1173 R1191 S1195 L1233 F1245 C1249 D1250 | V1171-W1193 HydrophobicContact CB-CB 4.48Å; V1171-W1193 HydrophobicContact CB-CE3 4.27Å; V1171-W1193 HydrophobicContact CG1-CE3 4.05Å; V1171-W1193 HydrophobicContact CG1-CZ3 4.45Å; V1171-W1193 PolarHBondContact N-O 3.18Å; V1171-W1193 VanDerWaalsContact N-O 3.11Å; V1171-W1193 PolarHBondContact O-N 3.5Å; Y1173-W1193 HydrophobicContact CD1-CH2 4.42Å; R1191-W1193 HydrophobicContact CB-CH2 3.94Å; R1191-W1193 HydrophobicContact CB-CZ2 3.91Å; R1191-W1193 HydrophobicContact CB-CZ3 4.28Å; R1191-W1193 HydrophobicContact CG-CZ2 4.46Å; W1193-S1195 VanDerWaalsContact C-N 3.28Å; W1193-S1195 PolarHBondContact O-N 3.29Å; W1193-L1233 HydrophobicContact CE3-CD2 4.35Å; W1193-L1233 HydrophobicContact CH2-CD2 4.34Å; W1193-L1233 HydrophobicContact CZ3-CD2 3.77Å; W1193-F1245 HydrophobicContact CB-CD1 4.21Å; W1193-F1245 HydrophobicContact CB-CE1 3.83Å; W1193-F1245 HydrophobicContact CB-CE2 4.45Å; W1193-F1245 HydrophobicContact CB-CZ 3.99Å; W1193-F1245 AromaticContact CD1-CD1 3.45Å; W1193-F1245 VanDerWaalsContact CD1-CD1 3.45Å; W1193-F1245 AromaticContact CD1-CE1 3.81Å; W1193-F1245 HydrophobicContact CD2-CB 4.22Å; W1193-F1245 AromaticContact CD2-CD1 4Å; W1193-F1245 HydrophobicContact CD2-CD1 4Å; W1193-F1245 HydrophobicContact CD2-CD2 4.25Å; W1193-F1245 HydrophobicContact CD2-CE1 4.49Å; W1193-F1245 AromaticContact CD2-CG 3.89Å; W1193-F1245 HydrophobicContact CD2-CG 3.89Å; W1193-F1245 AromaticContact CE2-CD1 3.98Å; W1193-F1245 AromaticContact CE2-CG 3.86Å; W1193-F1245 HydrophobicContact CE3-CD2 4.4Å; W1193-F1245 HydrophobicContact CE3-CG 4.42Å; W1193-F1245 AromaticContact CG-CD1 3.65Å; W1193-F1245 HydrophobicContact CG-CD1 3.65Å; W1193-F1245 HydrophobicContact CG-CD2 4.46Å; W1193-F1245 AromaticContact CG-CE1 3.8Å; W1193-F1245 HydrophobicContact CG-CE1 3.8Å; W1193-F1245 HydrophobicContact CG-CG 4.03Å; W1193-F1245 HydrophobicContact CG-CZ 4.29Å; W1193-F1245 HydrophobicContact CH2-CB 4.26Å; W1193-F1245 HydrophobicContact CZ2-CB 3.74Å; W1193-F1245 HydrophobicContact CZ2-CG 4.33Å; W1193-F1245 AromaticContact NE1-CD1 3.65Å; W1193-F1245 AromaticContact NE1-CG 3.99Å; W1193-C1249 PolarHBondContact NE1-O 3.07Å; W1193-D1250 PolarHBondContact NE1-O 3.22Å |
| 1194 | H | 81 | Confident | 77 | Confident | 118 Ų | 118 | 54.7 Ų | 54.7 | 55% | 0.546 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 70.3 | 174.6 | -61.8 | 95.8 | 0 | 0 | 0 | 110.6 | Q1192 | Q1192-H1194 PolarHBondContact NE2-CE1 2.73Å; Q1192-H1194 PolarHBondContact NE2-NE2 2.89Å |
| 1195 | S | 72.6 | Confident | 78.6 | Confident | 25 Ų | 25 | 51.6 Ų | 51.6 | 18% | 0.175 | 25% | 0.25 | C | C | . | . | trans | -111.9 | -32.6 | -160.3 | 62.7 | 0 | 0 | 0 | 0 | 115.2 | W1193 K1243 F1245 | W1193-S1195 VanDerWaalsContact C-N 3.28Å; W1193-S1195 PolarHBondContact O-N 3.29Å; S1195-K1243 PolarHBondContact O-NZ 2.82Å; S1195-F1245 WeakPolarHBondContact OG-CZ 3.46Å | ||
| 1196 | H | 83.4 | Confident | 79.4 | Confident | 14 Ų | 14 | 50.1 Ų | 50.1 | 7% | 0.065 | 24% | 0.243 | C | C | . | . | trans | -103.8 | 154.2 | -176 | -65.5 | -74.2 | 0 | 0 | 0 | 111.8 | G1169 S1235 S1237 D1239 | G1169-H1196 PolarHBondContact O-N 2.76Å; H1196-S1235 WeakPolarHBondContact NE2-CB 3.4Å; H1196-S1235 PolarHBondContact NE2-OG 3.02Å; H1196-S1237 WeakPolarHBondContact ND1-CB 3.48Å; H1196-D1239 IonicContact ND1-OD1 3.31Å | ||
| 1197 | S | 81.9 | Confident | 80 | Confident | 96 Ų | 96 | 49.4 Ų | 49.4 | 67% | 0.671 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -93.1 | -9.3 | -177.5 | 65.8 | 0 | 0 | 0 | 0 | 113.9 | D1239 | S1197-D1239 WeakPolarHBondContact CB-OD2 3.45Å; S1197-D1239 PolarHBondContact N-OD2 3.06Å; S1197-D1239 WeakPolarHBondContact OG-CB 3.49Å; S1197-D1239 PolarHBondContact OG-OD2 2.83Å |
| 1198 | R | 84.7 | Confident | 79.9 | Confident | 130 Ų | 130 | 48.9 Ų | 48.9 | 49% | 0.491 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -140.5 | 176.6 | 178.4 | -64.5 | -179.6 | 175.5 | 166.6 | -2.3 | 110.9 | G1169 S1237 E1238 D1239 | G1169-R1198 WeakPolarHBondContact CA-O 3.49Å; G1169-R1198 PolarHBondContact N-O 2.75Å; R1198-S1237 PolarHBondContact O-OG 2.77Å; R1198-E1238 HydrophobicContact CB-CB 3.84Å; R1198-E1238 WeakPolarHBondContact CD-O 3.37Å; R1198-E1238 PolarHBondContact NH1-O 3.35Å; R1198-D1239 HydrophobicContact CB-CB 4.29Å; R1198-D1239 HydrophobicContact CG-CB 4.1Å |
| 1199 | A | 84.7 | Confident | 79.4 | Confident | 12 Ų | 12 | 42.2 Ų | 42.2 | 10% | 0.099 | 21% | 0.208 | C | C | . | . | trans | -48.9 | 140.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T1152 T1166 S1167 S1201 S1237 E1238 | T1152-A1199 HydrophobicContact CG2-CB 4.46Å; T1166-A1199 WeakPolarHBondContact O-CA 3.38Å; S1167-A1199 WeakPolarHBondContact O-CA 3.48Å; S1167-A1199 PolarHBondContact O-N 2.94Å; A1199-S1201 PolarHBondContact O-N 3.39Å; A1199-S1237 WeakPolarHBondContact O-CA 3.46Å; A1199-S1237 PolarHBondContact O-OG 2.91Å; A1199-E1238 HydrophobicContact CB-CG 4.26Å; A1199-E1238 PolarHBondContact O-N 2.77Å | ||
| 1200 | I | 86.2 | Confident | 78.4 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 116.7 | 170.2 | -69.3 | 140.4 | 0 | 0 | 0 | 107.8 | T1152 I1153 T1166 G1169 V1170 V1171 L1203 G1236 | T1152-I1200 PolarHBondContact OG1-O 2.67Å; I1153-I1200 HydrophobicContact CG2-CG2 4.24Å; T1166-I1200 PolarHBondContact O-N 3.09Å; G1169-I1200 VanDerWaalsContact C-CD1 3.43Å; V1170-I1200 WeakPolarHBondContact O-CD1 3.32Å; V1171-I1200 HydrophobicContact CB-CD1 4.4Å; V1171-I1200 HydrophobicContact CG2-CD1 3.47Å; V1171-I1200 VanDerWaalsContact CG2-CD1 3.47Å; V1171-I1200 HydrophobicContact CG2-CG1 4.17Å; I1200-L1203 HydrophobicContact CG2-CD1 3.72Å; I1200-L1203 HydrophobicContact CG2-CG 3.89Å; I1200-G1236 WeakPolarHBondContact CA-O 3.34Å |
| 1201 | S | 82.4 | Confident | 77.1 | Confident | 37 Ų | 37 | 44 Ų | 44 | 26% | 0.259 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | -29.2 | 179 | 56.2 | 0 | 0 | 0 | 0 | 112.2 | A1199 G1236 V1263 | A1199-S1201 PolarHBondContact O-N 3.39Å; S1201-G1236 PolarHBondContact N-O 3.32Å; S1201-G1236 PolarHBondContact OG-O 3.44Å; S1201-V1263 WeakPolarHBondContact CB-O 3.07Å; S1201-V1263 PolarHBondContact OG-O 3.4Å |
| 1202 | Q | 83.6 | Confident | 75.7 | Confident | 44 Ų | 44 | 45.8 Ų | 45.8 | 21% | 0.206 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 143.8 | -172.5 | -66.4 | -65.6 | -10.5 | 0 | 0 | 112.4 | G1236 L1264 M1266 | Q1202-G1236 PolarHBondContact N-O 3.49Å; Q1202-G1236 PolarHBondContact O-N 2.92Å; Q1202-L1264 PolarHBondContact NE2-O 2.92Å; Q1202-M1266 HydrophobicContact CB-CE 3.87Å; Q1202-M1266 HydrophobicContact CB-CG 4.12Å |
| 1203 | L | 85.1 | Confident | 74.1 | Confident | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 132.1 | 177.8 | -96.1 | 156.5 | 0 | 0 | 0 | 110.4 | I1153 R1155 V1171 I1200 L1233 I1234 | I1153-L1203 HydrophobicContact CG2-CD1 3.75Å; R1155-L1203 HydrophobicContact CG-CB 4.34Å; R1155-L1203 WeakPolarHBondContact CG-O 3.38Å; R1155-L1203 PolarHBondContact NE-O 2.97Å; V1171-L1203 HydrophobicContact CG1-CD2 3.92Å; I1200-L1203 HydrophobicContact CG2-CD1 3.72Å; I1200-L1203 HydrophobicContact CG2-CG 3.89Å; L1203-L1233 HydrophobicContact CD2-CD1 3.49Å; L1203-L1233 VanDerWaalsContact CD2-CD1 3.49Å; L1203-L1233 HydrophobicContact CD2-CD2 4.17Å; L1203-L1233 HydrophobicContact CD2-CG 3.94Å; L1203-I1234 WeakPolarHBondContact CA-O 3.39Å |
| 1204 | D | 84.1 | Confident | 72.3 | Confident | 12 Ų | 12 | 49.5 Ų | 49.5 | 6% | 0.064 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 161.9 | -178.5 | -148.3 | 8.5 | 0 | 0 | 0 | 111.4 | R1155 L1233 I1234 M1266 L1268 | R1155-D1204 IonicContact CZ-OD1 3.16Å; R1155-D1204 IonicContact NE-OD1 2.79Å; R1155-D1204 IonicContact NH2-OD1 2.73Å; R1155-D1204 PolarHBondContact NH2-OD1 2.89Å; D1204-L1233 WeakPolarHBondContact O-CD1 3.22Å; D1204-I1234 PolarHBondContact N-O 3.26Å; D1204-I1234 PolarHBondContact O-N 3.17Å; D1204-M1266 HydrophobicContact CB-CG 4.26Å; D1204-M1266 HydrophobicContact CB-SD 4.09Å; D1204-L1268 PolarHBondContact OD2-N 3.34Å |
| 1205 | Y | 84.3 | Confident | 70.5 | Confident | 58 Ų | 58 | 51.9 Ų | 51.9 | 23% | 0.227 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 159.4 | -174.9 | 69.7 | -97.7 | 0 | 0 | 0 | 115.3 | I1156 I1157 F1163 K1207 V1231 L1232 | I1156-Y1205 WeakPolarHBondContact O-CE1 3.29Å; I1157-Y1205 HydrophobicContact CB-CE1 4.39Å; I1157-Y1205 HydrophobicContact CG1-CD1 4.25Å; I1157-Y1205 HydrophobicContact CG1-CE1 4.18Å; I1157-Y1205 HydrophobicContact CG2-CD2 4.29Å; I1157-Y1205 HydrophobicContact CG2-CE1 4.48Å; I1157-Y1205 HydrophobicContact CG2-CE2 3.99Å; F1163-Y1205 HydrophobicContact CD2-CD1 4.49Å; F1163-Y1205 HydrophobicContact CE2-CD1 4.38Å; F1163-Y1205 HydrophobicContact CE2-CG 4.33Å; Y1205-K1207 HydrophobicContact CD2-CG 4.45Å; Y1205-K1207 HydrophobicContact CE2-CG 4.34Å; Y1205-V1231 HydrophobicContact CD2-CG1 4.22Å; Y1205-V1231 HydrophobicContact CG-CG1 4.27Å; Y1205-L1232 CarbonylContact C-O 3.19Å; Y1205-L1232 VanDerWaalsContact CA-O 3.27Å; Y1205-L1232 WeakPolarHBondContact CA-O 3.48Å |
| 1206 | L | 76 | Confident | 69 | Low | 12 Ų | 12 | 54.7 Ų | 54.7 | 6% | 0.063 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 136.2 | 167.6 | -170.3 | 81.5 | 0 | 0 | 0 | 110.3 | V1231 L1232 L1268 L1502 | L1206-V1231 CarbonylContact O-C 3.52Å; L1206-V1231 WeakPolarHBondContact O-CA 3.32Å; L1206-L1232 HydrophobicContact CB-CB 4.3Å; L1206-L1232 PolarHBondContact N-O 3.37Å; L1206-L1232 PolarHBondContact O-N 3.17Å; L1206-L1268 HydrophobicContact CB-CD2 3.79Å; L1206-L1502 HydrophobicContact CD2-CB 4.43Å; L1206-L1502 HydrophobicContact CD2-CD1 4.02Å |
| 1207 | K | 73.8 | Confident | 67.3 | Low | 48 Ų | 48 | 58.7 Ų | 58.7 | 21% | 0.209 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 129.5 | 167.2 | -68.3 | 175.5 | -179.7 | 178.7 | 0 | 108.9 | I1157 Y1205 I1229 V1231 | I1157-K1207 VanDerWaalsContact CG2-CE 3.44Å; I1157-K1207 WeakPolarHBondContact O-CE 3.29Å; I1157-K1207 PolarHBondContact O-NZ 2.91Å; Y1205-K1207 HydrophobicContact CD2-CG 4.45Å; Y1205-K1207 HydrophobicContact CE2-CG 4.34Å; K1207-I1229 HydrophobicContact CB-CG2 3.77Å; K1207-I1229 HydrophobicContact CD-CG2 4.1Å; K1207-I1229 HydrophobicContact CG-CG2 3.88Å; K1207-V1231 HydrophobicContact CG-CG2 4.47Å |
| 1208 | Y | 69.2 | Low | 65.5 | Low | 13 Ų | 13 | 60.1 Ų | 60.1 | 5% | 0.051 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 155.8 | 173.2 | 68.1 | -87.5 | 0 | 0 | 0 | 111 | S1230 L1232 S1246 E1248 L1310 | Y1208-S1230 VanDerWaalsContact CE2-OG 3.24Å; Y1208-S1230 WeakPolarHBondContact CE2-OG 3.42Å; Y1208-S1230 PolarHBondContact N-O 3.33Å; Y1208-S1230 PolarHBondContact O-N 3.28Å; Y1208-L1232 HydrophobicContact CD1-CB 4.18Å; Y1208-L1232 HydrophobicContact CE1-CB 4.14Å; Y1208-S1246 PolarHBondContact OH-OG 2.89Å; Y1208-E1248 PolarHBondContact OH-OE2 3.14Å; Y1208-L1310 HydrophobicContact CE2-CD1 3.66Å |
| 1209 | F | 61.9 | Low | 63.6 | Low | 37 Ų | 37 | 58.5 Ų | 58.5 | 16% | 0.162 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 116.3 | 178.1 | -118 | -71.4 | 0 | 0 | 0 | 110.1 | K1211 I1224 H1228 I1229 | F1209-K1211 PolarHBondContact O-N 3.12Å; F1209-I1224 HydrophobicContact CE2-CG2 4.21Å; F1209-I1224 HydrophobicContact CZ-CG2 3.67Å; F1209-H1228 HydrophobicContact CE1-CB 3.99Å; F1209-I1229 HydrophobicContact CE2-CG1 3.85Å; F1209-I1229 HydrophobicContact CZ-CG1 3.96Å |
| 1210 | N | 55.2 | Low | 61.4 | Low | 35 Ų | 35 | 61.8 Ų | 61.8 | 19% | 0.187 | 33% | 0.327 | C | S | . | . | trans | -80.2 | 114.3 | 171.5 | -168.3 | -25.6 | 0 | 0 | 0 | 108.8 | N1212 E1248 | N1210-N1212 PolarHBondContact O-N 3.14Å; N1210-N1212 WeakPolarHBondContact OD1-CB 3.5Å; N1210-N1212 PolarHBondContact OD1-N 3.02Å; N1210-E1248 PolarHBondContact ND2-OE1 3.38Å | ||
| 1211 | K | 48.6 | Very low | 59.2 | Low | 121 Ų | 121 | 69 Ų | 69 | 53% | 0.526 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -74.2 | -14.6 | -172.8 | -138.7 | -178.9 | -175.8 | -172.4 | 0 | 113.4 | F1209 T1213 V1214 | F1209-K1211 PolarHBondContact O-N 3.12Å; K1211-T1213 PolarHBondContact O-N 2.83Å; K1211-V1214 PolarHBondContact O-N 2.91Å |
| 1212 | N | 47.6 | Very low | 57.2 | Low | 95 Ų | 95 | 72.4 Ų | 72.4 | 51% | 0.508 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -76 | 10.9 | -171.4 | -59.7 | -7.6 | 0 | 0 | 0 | 114.3 | N1210 E1308 | N1210-N1212 PolarHBondContact O-N 3.14Å; N1210-N1212 WeakPolarHBondContact OD1-CB 3.5Å; N1210-N1212 PolarHBondContact OD1-N 3.02Å; N1212-E1308 PolarHBondContact ND2-OE2 2.68Å |
| 1213 | T | 46.8 | Very low | 54.9 | Low | 72 Ų | 72 | 77 Ų | 77 | 44% | 0.442 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -120.9 | 16.9 | 174.5 | 69.9 | 0 | 0 | 0 | 0 | 113.2 | K1211 H1228 | K1211-T1213 PolarHBondContact O-N 2.83Å; T1213-H1228 PolarHBondContact OG1-ND1 2.82Å |
| 1214 | V | 44.5 | Very low | 52.8 | Low | 55 Ų | 55 | 80.8 Ų | 80.8 | 33% | 0.333 | 43% | 0.429 | S | S | . | . | trans | -127.6 | 88.1 | -178.6 | -175.3 | 0 | 0 | 0 | 0 | 109.1 | K1211 N1216 | K1211-V1214 PolarHBondContact O-N 2.91Å; V1214-N1216 VanDerWaalsContact CG1-O 3.31Å; V1214-N1216 WeakPolarHBondContact CG1-O 3.24Å; V1214-N1216 PolarHBondContact O-N 3.3Å | ||
| 1215 | D | 44.2 | Very low | 50.9 | Low | 169 Ų | 169 | 85.1 Ų | 85.1 | 90% | 0.904 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -68.9 | -11.2 | -178 | -70.5 | -49.9 | 0 | 0 | 0 | 113.8 | ||
| 1216 | N | 41.5 | Very low | 49.3 | Very low | 84 Ų | 84 | 85.9 Ų | 85.9 | 45% | 0.449 | 46% | 0.464 | S | S | . | . | trans | -134.8 | 122.5 | -174 | -122.1 | -9.7 | 0 | 0 | 0 | 111.2 | V1214 N1218 D1219 | V1214-N1216 VanDerWaalsContact CG1-O 3.31Å; V1214-N1216 WeakPolarHBondContact CG1-O 3.24Å; V1214-N1216 PolarHBondContact O-N 3.3Å; N1216-N1218 PolarHBondContact O-N 3Å; N1216-D1219 HydrophobicContact CB-CB 4.45Å; N1216-D1219 WeakPolarHBondContact CB-OD2 3.26Å; N1216-D1219 PolarHBondContact ND2-OD2 2.69Å; N1216-D1219 PolarHBondContact O-N 3.01Å | ||
| 1217 | P | 46.6 | Very low | 48.1 | Very low | 97 Ų | 97 | 92 Ų | 92 | 63% | 0.63 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -18.4 | -179.8 | 28.3 | -34.9 | 0 | 0 | 0 | 113.7 | ||
| 1218 | N | 43.8 | Very low | 47.2 | Very low | 126 Ų | 126 | 93.5 Ų | 93.5 | 67% | 0.674 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -24.7 | -177.4 | -65 | -13.3 | 0 | 0 | 0 | 113.4 | N1216 L1220 L1221 | N1216-N1218 PolarHBondContact O-N 3Å; N1218-L1220 PolarHBondContact O-N 3.3Å; N1218-L1221 PolarHBondContact O-N 3Å |
| 1219 | D | 45.8 | Very low | 46.9 | Very low | 96 Ų | 96 | 94.3 Ų | 94.3 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | G | 310 helix | trans | -74.2 | -9.3 | -176.9 | -68.6 | -43.8 | 0 | 0 | 0 | 113.1 | N1216 L1221 | N1216-D1219 HydrophobicContact CB-CB 4.45Å; N1216-D1219 WeakPolarHBondContact CB-OD2 3.26Å; N1216-D1219 PolarHBondContact ND2-OD2 2.69Å; N1216-D1219 PolarHBondContact O-N 3.01Å; D1219-L1221 PolarHBondContact O-N 3.07Å; D1219-L1221 VanDerWaalsContact O-N 3.16Å |
| 1220 | L | 39.3 | Very low | 47.2 | Very low | 81 Ų | 81 | 92.9 Ų | 92.9 | 42% | 0.424 | 50% | 0.504 | S | S | . | . | G | 310 helix | trans | -60.9 | -17.1 | 173.1 | -85.4 | 161.9 | 0 | 0 | 0 | 114.3 | N1218 | N1218-L1220 PolarHBondContact O-N 3.3Š|
| 1221 | L | 38.8 | Very low | 48.2 | Very low | 154 Ų | 154 | 91.2 Ų | 91.2 | 81% | 0.806 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -82.5 | -19.1 | -175.1 | -96.9 | 87.2 | 0 | 0 | 0 | 115.6 | N1218 D1219 | N1218-L1221 PolarHBondContact O-N 3Å; D1219-L1221 PolarHBondContact O-N 3.07Å; D1219-L1221 VanDerWaalsContact O-N 3.16Å |
| 1222 | T | 41.4 | Very low | 49.7 | Very low | 108 Ų | 108 | 85.9 Ų | 85.9 | 66% | 0.663 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.6 | -30 | -159.9 | 59.1 | 0 | 0 | 0 | 0 | 117.6 | ||
| 1223 | N | 35.1 | Very low | 51.4 | Low | 140 Ų | 140 | 81.4 Ų | 81.4 | 75% | 0.749 | 45% | 0.449 | S | S | * | . | trans | -151 | 90.1 | -179.5 | -93.8 | -57 | 0 | 0 | 0 | 113.5 | N1225 | N1223-N1225 PolarHBondContact O-N 3.08Š| ||
| 1224 | I | 40.6 | Very low | 53.3 | Low | 83 Ų | 83 | 78 Ų | 78 | 43% | 0.426 | 43% | 0.427 | S | S | . | . | trans | -79.4 | 108.3 | 166.6 | -71.3 | 172.8 | 0 | 0 | 0 | 109.4 | F1209 | F1209-I1224 HydrophobicContact CE2-CG2 4.21Å; F1209-I1224 HydrophobicContact CZ-CG2 3.67Å | ||
| 1225 | N | 44.4 | Very low | 55.3 | Low | 103 Ų | 103 | 75.3 Ų | 75.3 | 55% | 0.551 | 41% | 0.412 | S | S | * | . | trans | -69.3 | 122.5 | 169.5 | -97.7 | -38.8 | 0 | 0 | 0 | 110 | N1223 N1227 H1228 | N1223-N1225 PolarHBondContact O-N 3.08Å; N1225-N1227 PolarHBondContact O-N 3.38Å; N1225-H1228 PolarHBondContact O-N 2.86Å; N1225-H1228 VanDerWaalsContact O-N 3.1Å | ||
| 1226 | P | 49.7 | Very low | 57.2 | Low | 74 Ų | 74 | 67.3 Ų | 67.3 | 48% | 0.481 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -64.2 | -17.6 | -173.1 | 24.7 | -34.6 | 0 | 0 | 0 | 114.2 | H1228 I1229 | P1226-H1228 PolarHBondContact O-N 2.84Å; P1226-I1229 PolarHBondContact O-N 3.4Å |
| 1227 | N | 52.1 | Low | 59.3 | Low | 142 Ų | 142 | 63.3 Ų | 63.3 | 76% | 0.759 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -66.3 | -18.7 | 175.6 | -68.9 | -15.8 | 0 | 0 | 0 | 114 | N1225 I1229 | N1225-N1227 PolarHBondContact O-N 3.38Å; N1227-I1229 VanDerWaalsContact C-N 3.3Å |
| 1228 | H | 55 | Low | 61.1 | Low | 78 Ų | 78 | 63 Ų | 63 | 36% | 0.361 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -84.7 | -3.2 | 179.6 | -67.3 | -103.3 | 0 | 0 | 0 | 113.6 | F1209 T1213 N1225 P1226 S1230 | F1209-H1228 HydrophobicContact CE1-CB 3.99Å; T1213-H1228 PolarHBondContact OG1-ND1 2.82Å; N1225-H1228 PolarHBondContact O-N 2.86Å; N1225-H1228 VanDerWaalsContact O-N 3.1Å; P1226-H1228 PolarHBondContact O-N 2.84Å; H1228-S1230 PolarHBondContact O-N 2.03Å |
| 1229 | I | 61.2 | Low | 63 | Low | 31 Ų | 31 | 58.3 Ų | 58.3 | 16% | 0.159 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 98.5 | 178.5 | -55 | 172.3 | 0 | 0 | 0 | 108.8 | R1161 K1207 F1209 P1226 N1227 | R1161-I1229 PolarHBondContact NH1-O 3.34Å; K1207-I1229 HydrophobicContact CB-CG2 3.77Å; K1207-I1229 HydrophobicContact CD-CG2 4.1Å; K1207-I1229 HydrophobicContact CG-CG2 3.88Å; F1209-I1229 HydrophobicContact CE2-CG1 3.85Å; F1209-I1229 HydrophobicContact CZ-CG1 3.96Å; P1226-I1229 PolarHBondContact O-N 3.4Å; N1227-I1229 VanDerWaalsContact C-N 3.3Å |
| 1230 | S | 69.8 | Low | 64.6 | Low | 7 Ų | 7 | 53.7 Ų | 53.7 | 5% | 0.049 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 153.8 | 168.3 | 29.7 | 0 | 0 | 0 | 0 | 111.6 | Y1208 H1228 S1247 E1248 | Y1208-S1230 VanDerWaalsContact CE2-OG 3.24Å; Y1208-S1230 WeakPolarHBondContact CE2-OG 3.42Å; Y1208-S1230 PolarHBondContact N-O 3.33Å; Y1208-S1230 PolarHBondContact O-N 3.28Å; H1228-S1230 PolarHBondContact O-N 2.03Å; S1230-S1247 WeakPolarHBondContact CA-OG 3.29Å; S1230-S1247 WeakPolarHBondContact CB-OG 3.38Å; S1230-E1248 WeakPolarHBondContact CB-OE1 3.4Å; S1230-E1248 PolarHBondContact OG-OE1 3.13Å |
| 1231 | V | 74.7 | Confident | 66.8 | Low | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 124 | -167.9 | -174.4 | 0 | 0 | 0 | 0 | 109.6 | F1163 Y1205 L1206 K1207 S1247 | F1163-V1231 HydrophobicContact CE2-CG1 3.89Å; F1163-V1231 HydrophobicContact CZ-CB 4.38Å; F1163-V1231 HydrophobicContact CZ-CG1 3.77Å; Y1205-V1231 HydrophobicContact CD2-CG1 4.22Å; Y1205-V1231 HydrophobicContact CG-CG1 4.27Å; L1206-V1231 CarbonylContact O-C 3.52Å; L1206-V1231 WeakPolarHBondContact O-CA 3.32Å; K1207-V1231 HydrophobicContact CG-CG2 4.47Å; V1231-S1247 PolarHBondContact N-OG 3.48Å; V1231-S1247 PolarHBondContact O-N 2.98Å |
| 1232 | L | 80.9 | Confident | 69 | Low | 8 Ų | 8 | 43.9 Ų | 43.9 | 4% | 0.042 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 112.3 | 169.9 | -179.7 | 69.9 | 0 | 0 | 0 | 108.4 | Y1205 L1206 Y1208 F1244 F1245 L1253 I1312 | Y1205-L1232 CarbonylContact C-O 3.19Å; Y1205-L1232 VanDerWaalsContact CA-O 3.27Å; Y1205-L1232 WeakPolarHBondContact CA-O 3.48Å; L1206-L1232 HydrophobicContact CB-CB 4.3Å; L1206-L1232 PolarHBondContact N-O 3.37Å; L1206-L1232 PolarHBondContact O-N 3.17Å; Y1208-L1232 HydrophobicContact CD1-CB 4.18Å; Y1208-L1232 HydrophobicContact CE1-CB 4.14Å; L1232-F1244 HydrophobicContact CD1-CB 4.37Å; L1232-F1244 HydrophobicContact CD1-CD1 4.31Å; L1232-F1244 HydrophobicContact CD2-CD1 4.21Å; L1232-F1244 HydrophobicContact CG-CD1 4.36Å; L1232-F1245 CarbonylContact C-O 3.24Å; L1232-F1245 WeakPolarHBondContact CA-O 3.49Å; L1232-L1253 HydrophobicContact CD1-CD1 4.03Å; L1232-I1312 HydrophobicContact CD1-CD1 3.66Å; L1232-I1312 HydrophobicContact CD2-CD1 4.01Å; L1232-I1312 HydrophobicContact CG-CD1 4.48Å |
| 1233 | L | 83.8 | Confident | 71.2 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 134.3 | -179.9 | -178.3 | 59 | 0 | 0 | 0 | 110.5 | F1163 V1171 W1193 L1203 D1204 F1244 F1245 | F1163-L1233 HydrophobicContact CB-CD1 4.37Å; F1163-L1233 HydrophobicContact CD1-CD1 4.09Å; F1163-L1233 HydrophobicContact CD1-CD2 3.55Å; F1163-L1233 HydrophobicContact CD1-CG 4.38Å; F1163-L1233 HydrophobicContact CD2-CD1 3.39Å; F1163-L1233 HydrophobicContact CD2-CD2 4.43Å; F1163-L1233 HydrophobicContact CD2-CG 4.45Å; F1163-L1233 HydrophobicContact CE1-CB 4.4Å; F1163-L1233 HydrophobicContact CE1-CD1 4.17Å; F1163-L1233 HydrophobicContact CE1-CD2 3.59Å; F1163-L1233 HydrophobicContact CE1-CG 4.27Å; F1163-L1233 HydrophobicContact CE2-CB 4.41Å; F1163-L1233 HydrophobicContact CE2-CD1 3.48Å; F1163-L1233 VanDerWaalsContact CE2-CD1 3.48Å; F1163-L1233 HydrophobicContact CE2-CD2 4.44Å; F1163-L1233 HydrophobicContact CE2-CG 4.32Å; F1163-L1233 HydrophobicContact CG-CD1 3.71Å; F1163-L1233 HydrophobicContact CG-CD2 4Å; F1163-L1233 HydrophobicContact CG-CG 4.47Å; F1163-L1233 HydrophobicContact CZ-CB 4.09Å; F1163-L1233 HydrophobicContact CZ-CD1 3.88Å; F1163-L1233 HydrophobicContact CZ-CD2 4.05Å; F1163-L1233 HydrophobicContact CZ-CG 4.23Å; V1171-L1233 HydrophobicContact CG1-CD2 3.55Å; W1193-L1233 HydrophobicContact CE3-CD2 4.35Å; W1193-L1233 HydrophobicContact CH2-CD2 4.34Å; W1193-L1233 HydrophobicContact CZ3-CD2 3.77Å; L1203-L1233 HydrophobicContact CD2-CD1 3.49Å; L1203-L1233 VanDerWaalsContact CD2-CD1 3.49Å; L1203-L1233 HydrophobicContact CD2-CD2 4.17Å; L1203-L1233 HydrophobicContact CD2-CG 3.94Å; D1204-L1233 WeakPolarHBondContact O-CD1 3.22Å; L1233-F1244 CarbonylContact O-C 3.24Å; L1233-F1244 VanDerWaalsContact O-CA 3.29Å; L1233-F1244 WeakPolarHBondContact O-CA 3.47Å; L1233-F1245 HydrophobicContact CB-CB 4.45Å; L1233-F1245 HydrophobicContact CB-CD2 4.48Å; L1233-F1245 HydrophobicContact CD2-CD2 4.16Å; L1233-F1245 HydrophobicContact CG-CD2 4.34Å; L1233-F1245 PolarHBondContact N-O 2.96Å; L1233-F1245 PolarHBondContact O-N 2.8Å |
| 1234 | I | 86 | Confident | 73.6 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 135.8 | 172.3 | -48.8 | -175.1 | 0 | 0 | 0 | 109 | L1203 D1204 I1242 F1244 M1266 L1268 L1273 | L1203-I1234 WeakPolarHBondContact CA-O 3.39Å; D1204-I1234 PolarHBondContact N-O 3.26Å; D1204-I1234 PolarHBondContact O-N 3.17Å; I1234-I1242 HydrophobicContact CG2-CG2 3.48Å; I1234-I1242 VanDerWaalsContact CG2-CG2 3.48Å; I1234-F1244 HydrophobicContact CD1-CD1 3.8Å; I1234-F1244 HydrophobicContact CD1-CE1 3.25Å; I1234-F1244 HydrophobicContact CD1-CZ 3.71Å; I1234-F1244 HydrophobicContact CG1-CD1 3.69Å; I1234-F1244 HydrophobicContact CG1-CE1 3.71Å; I1234-F1244 HydrophobicContact CG1-CG 4.28Å; I1234-F1244 HydrophobicContact CG1-CZ 4.3Å; I1234-F1244 HydrophobicContact CG2-CE2 4.34Å; I1234-F1244 HydrophobicContact CG2-CZ 4.39Å; I1234-M1266 HydrophobicContact CB-SD 3.93Å; I1234-M1266 HydrophobicContact CG2-CE 4.05Å; I1234-M1266 HydrophobicContact CG2-SD 3.51Å; I1234-M1266 VanDerWaalsContact CG2-SD 3.51Å; I1234-L1268 HydrophobicContact CD1-CB 4.15Å; I1234-L1268 HydrophobicContact CD1-CD1 3.65Å; I1234-L1268 HydrophobicContact CD1-CD2 3.53Å; I1234-L1268 HydrophobicContact CD1-CG 3.96Å; I1234-L1268 HydrophobicContact CG1-CD2 4.21Å; I1234-L1273 HydrophobicContact CD1-CD1 4.06Å; I1234-L1273 HydrophobicContact CD1-CD2 4.4Å; I1234-L1273 HydrophobicContact CG2-CD2 4.47Å |
| 1235 | S | 86.8 | Confident | 75.7 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 137.9 | -178.6 | 59.3 | 0 | 0 | 0 | 0 | 110.8 | H1196 I1242 K1243 F1245 M1266 | H1196-S1235 WeakPolarHBondContact NE2-CB 3.4Å; H1196-S1235 PolarHBondContact NE2-OG 3.02Å; S1235-I1242 WeakPolarHBondContact O-CA 3.35Å; S1235-K1243 PolarHBondContact N-O 3.31Å; S1235-K1243 PolarHBondContact O-N 3.45Å; S1235-K1243 PolarHBondContact OG-O 2.86Å; S1235-F1245 VanDerWaalsContact OG-CE2 3.24Å; S1235-F1245 WeakPolarHBondContact OG-CE2 3.34Å; S1235-M1266 VanDerWaalsContact C-CE 3.49Å |
| 1236 | G | 84.7 | Confident | 77.4 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 134.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | I1200 S1201 Q1202 M1266 | I1200-G1236 WeakPolarHBondContact CA-O 3.34Å; S1201-G1236 PolarHBondContact N-O 3.32Å; S1201-G1236 PolarHBondContact OG-O 3.44Å; Q1202-G1236 PolarHBondContact N-O 3.49Å; Q1202-G1236 PolarHBondContact O-N 2.92Å; G1236-M1266 VanDerWaalsContact CA-CE 3.47Å |
| 1237 | S | 85.9 | Confident | 78.6 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 160.1 | -176.3 | 179.5 | 0 | 0 | 0 | 0 | 112.5 | H1196 R1198 A1199 D1239 G1240 C1241 V1263 | H1196-S1237 WeakPolarHBondContact ND1-CB 3.48Å; R1198-S1237 PolarHBondContact O-OG 2.77Å; A1199-S1237 WeakPolarHBondContact O-CA 3.46Å; A1199-S1237 PolarHBondContact O-OG 2.91Å; S1237-D1239 WeakPolarHBondContact CB-OD1 3.39Å; S1237-D1239 PolarHBondContact O-N 2.83Å; S1237-D1239 VanDerWaalsContact O-N 3.11Å; S1237-D1239 PolarHBondContact OG-N 2.94Å; S1237-G1240 PolarHBondContact O-N 3.34Å; S1237-G1240 VanDerWaalsContact O-N 3.08Å; S1237-C1241 PolarHBondContact N-O 3.37Å; S1237-V1263 PolarHBondContact O-N 2.83Å |
| 1238 | E | 84.4 | Confident | 79.6 | Confident | 92 Ų | 92 | 19.3 Ų | 19.3 | 43% | 0.43 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -6.2 | 167.4 | -64.2 | -177.7 | 157.2 | 0 | 0 | 114 | R1198 A1199 G1240 P1262 | R1198-E1238 HydrophobicContact CB-CB 3.84Å; R1198-E1238 WeakPolarHBondContact CD-O 3.37Å; R1198-E1238 PolarHBondContact NH1-O 3.35Å; A1199-E1238 HydrophobicContact CB-CG 4.26Å; A1199-E1238 PolarHBondContact O-N 2.77Å; E1238-G1240 VanDerWaalsContact C-N 3.33Å; E1238-P1262 HydrophobicContact CB-CB 4.04Å; E1238-P1262 HydrophobicContact CG-CB 4.32Å |
| 1239 | D | 83.6 | Confident | 80.3 | Confident | 26 Ų | 26 | 17.4 Ų | 17.4 | 14% | 0.139 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -0.7 | 171 | 72 | 18.4 | 0 | 0 | 0 | 114.3 | H1196 S1197 R1198 S1237 C1241 | H1196-D1239 IonicContact ND1-OD1 3.31Å; S1197-D1239 WeakPolarHBondContact CB-OD2 3.45Å; S1197-D1239 PolarHBondContact N-OD2 3.06Å; S1197-D1239 WeakPolarHBondContact OG-CB 3.49Å; S1197-D1239 PolarHBondContact OG-OD2 2.83Å; R1198-D1239 HydrophobicContact CB-CB 4.29Å; R1198-D1239 HydrophobicContact CG-CB 4.1Å; S1237-D1239 WeakPolarHBondContact CB-OD1 3.39Å; S1237-D1239 PolarHBondContact O-N 2.83Å; S1237-D1239 VanDerWaalsContact O-N 3.11Å; S1237-D1239 PolarHBondContact OG-N 2.94Å; D1239-C1241 VanDerWaalsContact C-N 3.29Å; D1239-C1241 PolarHBondContact O-N 2.79Å; D1239-C1241 WeakPolarHBondContact OD1-CB 3.44Å; D1239-C1241 PolarHBondContact OD1-N 2.84Å; D1239-C1241 PolarHBondContact OD1-SG 2.77Å; D1239-C1241 VanDerWaalsContact OD1-SG 3.36Å |
| 1240 | G | 79.5 | Confident | 80.6 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | S | Bend | trans | 83.8 | -2.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S1237 E1238 D1259 | S1237-G1240 PolarHBondContact O-N 3.34Å; S1237-G1240 VanDerWaalsContact O-N 3.08Å; E1238-G1240 VanDerWaalsContact C-N 3.33Å; G1240-D1259 WeakPolarHBondContact CA-O 3.28Å |
| 1241 | C | 84.5 | Confident | 80.6 | Confident | 27 Ų | 27 | 24.7 Ų | 24.7 | 18% | 0.182 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 142.4 | 176.7 | -59.2 | 0 | 0 | 0 | 0 | 112.3 | S1237 D1239 | S1237-C1241 PolarHBondContact N-O 3.37Å; D1239-C1241 VanDerWaalsContact C-N 3.29Å; D1239-C1241 PolarHBondContact O-N 2.79Å; D1239-C1241 WeakPolarHBondContact OD1-CB 3.44Å; D1239-C1241 PolarHBondContact OD1-N 2.84Å; D1239-C1241 PolarHBondContact OD1-SG 2.77Å; D1239-C1241 VanDerWaalsContact OD1-SG 3.36Å |
| 1242 | I | 86.2 | Confident | 80.4 | Confident | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 130.6 | 165.7 | -53.9 | 176.4 | 0 | 0 | 0 | 107.8 | I1234 S1235 F1244 H1255 C1256 V1263 L1273 V1275 | I1234-I1242 HydrophobicContact CG2-CG2 3.48Å; I1234-I1242 VanDerWaalsContact CG2-CG2 3.48Å; S1235-I1242 WeakPolarHBondContact O-CA 3.35Å; I1242-F1244 HydrophobicContact CG2-CD2 4.4Å; I1242-F1244 HydrophobicContact CG2-CE2 3.92Å; I1242-H1255 VanDerWaalsContact O-CA 3.32Å; I1242-H1255 WeakPolarHBondContact O-CA 3.4Å; I1242-C1256 PolarHBondContact N-O 3.29Å; I1242-C1256 PolarHBondContact O-N 2.83Å; I1242-V1263 HydrophobicContact CG1-CG2 4.34Å; I1242-L1273 HydrophobicContact CD1-CD2 4.23Å; I1242-L1273 HydrophobicContact CG2-CD2 4.14Å; I1242-V1275 HydrophobicContact CD1-CB 4.23Å; I1242-V1275 HydrophobicContact CD1-CG1 3.7Å; I1242-V1275 HydrophobicContact CD1-CG2 3.46Å; I1242-V1275 VanDerWaalsContact CD1-CG2 3.46Å |
| 1243 | K | 87 | Confident | 80.1 | Confident | 36 Ų | 36 | 28.8 Ų | 28.8 | 16% | 0.157 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 131.5 | -178.6 | -60.1 | -176.9 | -168.3 | -172 | 0 | 110.9 | S1195 S1235 F1245 H1255 | S1195-K1243 PolarHBondContact O-NZ 2.82Å; S1235-K1243 PolarHBondContact N-O 3.31Å; S1235-K1243 PolarHBondContact O-N 3.45Å; S1235-K1243 PolarHBondContact OG-O 2.86Å; K1243-F1245 HydrophobicContact CB-CE1 4.44Å; K1243-F1245 HydrophobicContact CB-CE2 4.32Å; K1243-F1245 HydrophobicContact CB-CZ 3.83Å; K1243-H1255 HydrophobicContact CG-CB 3.96Å |
| 1244 | F | 85.8 | Confident | 79.8 | Confident | 3 Ų | 3 | 31 Ų | 31 | 1% | 0.013 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 128 | -179.2 | -68.6 | -114.1 | 0 | 0 | 0 | 109.3 | L1232 L1233 I1234 I1242 P1252 L1253 F1254 L1273 L1287 I1312 | L1232-F1244 HydrophobicContact CD1-CB 4.37Å; L1232-F1244 HydrophobicContact CD1-CD1 4.31Å; L1232-F1244 HydrophobicContact CD2-CD1 4.21Å; L1232-F1244 HydrophobicContact CG-CD1 4.36Å; L1233-F1244 CarbonylContact O-C 3.24Å; L1233-F1244 VanDerWaalsContact O-CA 3.29Å; L1233-F1244 WeakPolarHBondContact O-CA 3.47Å; I1234-F1244 HydrophobicContact CD1-CD1 3.8Å; I1234-F1244 HydrophobicContact CD1-CE1 3.25Å; I1234-F1244 HydrophobicContact CD1-CZ 3.71Å; I1234-F1244 HydrophobicContact CG1-CD1 3.69Å; I1234-F1244 HydrophobicContact CG1-CE1 3.71Å; I1234-F1244 HydrophobicContact CG1-CG 4.28Å; I1234-F1244 HydrophobicContact CG1-CZ 4.3Å; I1234-F1244 HydrophobicContact CG2-CE2 4.34Å; I1234-F1244 HydrophobicContact CG2-CZ 4.39Å; I1242-F1244 HydrophobicContact CG2-CD2 4.4Å; I1242-F1244 HydrophobicContact CG2-CE2 3.92Å; F1244-P1252 CarbonylContact O-C 3.57Å; F1244-P1252 WeakPolarHBondContact O-CA 3.25Å; F1244-P1252 WeakPolarHBondContact O-CB 3.37Å; F1244-L1253 PolarHBondContact O-N 2.9Å; F1244-F1254 HydrophobicContact CB-CB 4.18Å; F1244-F1254 HydrophobicContact CD2-CB 4.11Å; F1244-F1254 AromaticContact CD2-CD1 3.76Å; F1244-F1254 HydrophobicContact CD2-CD1 3.76Å; F1244-F1254 HydrophobicContact CD2-CG 4.44Å; F1244-F1254 AromaticContact CE2-CD1 3.73Å; F1244-F1254 HydrophobicContact CE2-CD1 3.73Å; F1244-F1254 HydrophobicContact CE2-CE1 4.4Å; F1244-F1254 HydrophobicContact CG-CB 4.25Å; F1244-F1254 HydrophobicContact CZ-CD1 4.48Å; F1244-F1254 PolarHBondContact N-O 3.39Å; F1244-L1273 HydrophobicContact CE2-CD2 4.33Å; F1244-L1273 HydrophobicContact CZ-CD2 3.86Å; F1244-L1287 HydrophobicContact CE1-CD1 3.55Å; F1244-L1287 HydrophobicContact CZ-CD1 3.61Å; F1244-L1287 HydrophobicContact CZ-CD2 4.34Å; F1244-I1312 HydrophobicContact CB-CD1 4.15Å; F1244-I1312 HydrophobicContact CD1-CD1 3.84Å; F1244-I1312 HydrophobicContact CG-CD1 4.26Å |
| 1245 | F | 84.7 | Confident | 79.5 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 144.7 | 171.9 | -44.5 | -79.1 | 0 | 0 | 0 | 109.3 | V1171 W1193 S1195 L1232 L1233 S1235 K1243 P1252 | V1171-F1245 HydrophobicContact CB-CE2 4.48Å; V1171-F1245 HydrophobicContact CG2-CE2 4.16Å; W1193-F1245 HydrophobicContact CB-CD1 4.21Å; W1193-F1245 HydrophobicContact CB-CE1 3.83Å; W1193-F1245 HydrophobicContact CB-CE2 4.45Å; W1193-F1245 HydrophobicContact CB-CZ 3.99Å; W1193-F1245 AromaticContact CD1-CD1 3.45Å; W1193-F1245 VanDerWaalsContact CD1-CD1 3.45Å; W1193-F1245 AromaticContact CD1-CE1 3.81Å; W1193-F1245 HydrophobicContact CD2-CB 4.22Å; W1193-F1245 AromaticContact CD2-CD1 4Å; W1193-F1245 HydrophobicContact CD2-CD1 4Å; W1193-F1245 HydrophobicContact CD2-CD2 4.25Å; W1193-F1245 HydrophobicContact CD2-CE1 4.49Å; W1193-F1245 AromaticContact CD2-CG 3.89Å; W1193-F1245 HydrophobicContact CD2-CG 3.89Å; W1193-F1245 AromaticContact CE2-CD1 3.98Å; W1193-F1245 AromaticContact CE2-CG 3.86Å; W1193-F1245 HydrophobicContact CE3-CD2 4.4Å; W1193-F1245 HydrophobicContact CE3-CG 4.42Å; W1193-F1245 AromaticContact CG-CD1 3.65Å; W1193-F1245 HydrophobicContact CG-CD1 3.65Å; W1193-F1245 HydrophobicContact CG-CD2 4.46Å; W1193-F1245 AromaticContact CG-CE1 3.8Å; W1193-F1245 HydrophobicContact CG-CE1 3.8Å; W1193-F1245 HydrophobicContact CG-CG 4.03Å; W1193-F1245 HydrophobicContact CG-CZ 4.29Å; W1193-F1245 HydrophobicContact CH2-CB 4.26Å; W1193-F1245 HydrophobicContact CZ2-CB 3.74Å; W1193-F1245 HydrophobicContact CZ2-CG 4.33Å; W1193-F1245 AromaticContact NE1-CD1 3.65Å; W1193-F1245 AromaticContact NE1-CG 3.99Å; S1195-F1245 WeakPolarHBondContact OG-CZ 3.46Å; L1232-F1245 CarbonylContact C-O 3.24Å; L1232-F1245 WeakPolarHBondContact CA-O 3.49Å; L1233-F1245 HydrophobicContact CB-CB 4.45Å; L1233-F1245 HydrophobicContact CB-CD2 4.48Å; L1233-F1245 HydrophobicContact CD2-CD2 4.16Å; L1233-F1245 HydrophobicContact CG-CD2 4.34Å; L1233-F1245 PolarHBondContact N-O 2.96Å; L1233-F1245 PolarHBondContact O-N 2.8Å; S1235-F1245 VanDerWaalsContact OG-CE2 3.24Å; S1235-F1245 WeakPolarHBondContact OG-CE2 3.34Å; K1243-F1245 HydrophobicContact CB-CE1 4.44Å; K1243-F1245 HydrophobicContact CB-CE2 4.32Å; K1243-F1245 HydrophobicContact CB-CZ 3.83Å; F1245-P1252 HydrophobicContact CD1-CB 3.87Å; F1245-P1252 HydrophobicContact CE1-CB 3.66Å; F1245-P1252 HydrophobicContact CE1-CG 4.28Å |
| 1246 | S | 78.8 | Confident | 79.1 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 147.1 | 161.7 | 167.6 | 0 | 0 | 0 | 0 | 109.5 | Y1208 E1248 C1249 | Y1208-S1246 PolarHBondContact OH-OG 2.89Å; S1246-E1248 PolarHBondContact O-N 2.9Å; S1246-E1248 WeakPolarHBondContact OG-CB 3.43Å; S1246-E1248 PolarHBondContact OG-N 2.85Å; S1246-C1249 PolarHBondContact O-N 3.42Å; S1246-C1249 VanDerWaalsContact O-O 3.09Å |
| 1247 | S | 75.3 | Confident | 78.8 | Confident | 19 Ų | 19 | 42.2 Ų | 42.2 | 13% | 0.133 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -20.8 | 164.8 | 57.2 | 0 | 0 | 0 | 0 | 113.5 | R1191 S1230 V1231 | R1191-S1247 VanDerWaalsContact CZ-O 3.3Å; R1191-S1247 PolarHBondContact NE-O 3Å; R1191-S1247 PolarHBondContact NH2-O 3.13Å; S1230-S1247 WeakPolarHBondContact CA-OG 3.29Å; S1230-S1247 WeakPolarHBondContact CB-OG 3.38Å; V1231-S1247 PolarHBondContact N-OG 3.48Å; V1231-S1247 PolarHBondContact O-N 2.98Å |
| 1248 | E | 72.4 | Confident | 78 | Confident | 75 Ų | 75 | 43.6 Ų | 43.6 | 35% | 0.35 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -21 | 178.9 | -60.7 | 166.8 | 165.1 | 0 | 0 | 112.8 | R1191 Y1208 N1210 S1230 S1246 | R1191-E1248 PolarHBondContact NH2-O 2.7Å; Y1208-E1248 PolarHBondContact OH-OE2 3.14Å; N1210-E1248 PolarHBondContact ND2-OE1 3.38Å; S1230-E1248 WeakPolarHBondContact CB-OE1 3.4Å; S1230-E1248 PolarHBondContact OG-OE1 3.13Å; S1246-E1248 PolarHBondContact O-N 2.9Å; S1246-E1248 WeakPolarHBondContact OG-CB 3.43Å; S1246-E1248 PolarHBondContact OG-N 2.85Å |
| 1249 | C | 69.8 | Low | 77.3 | Confident | 39 Ų | 39 | 41.1 Ų | 41.1 | 26% | 0.264 | 24% | 0.236 | S | C | . | . | trans | -123.2 | 136.9 | -168.7 | -63.5 | 0 | 0 | 0 | 0 | 114.3 | W1193 S1246 L1253 | W1193-C1249 PolarHBondContact NE1-O 3.07Å; S1246-C1249 PolarHBondContact O-N 3.42Å; S1246-C1249 VanDerWaalsContact O-O 3.09Å; C1249-L1253 HydrophobicContact CB-CD2 4.16Å | ||
| 1250 | D | 68.7 | Low | 77 | Confident | 116 Ų | 116 | 45.7 Ų | 45.7 | 62% | 0.62 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -81.4 | -25.5 | 177 | -63.6 | -63.4 | 0 | 0 | 0 | 113.8 | R1191 W1193 | R1191-D1250 WeakPolarHBondContact CD-OD1 3.37Å; R1191-D1250 IonicContact CZ-OD1 2.67Å; R1191-D1250 IonicContact NE-OD1 3.67Å; R1191-D1250 IonicContact NH1-OD1 3.2Å; R1191-D1250 PolarHBondContact NH1-OD1 2.74Å; R1191-D1250 IonicContact NH1-OD2 3.27Å; R1191-D1250 PolarHBondContact NH1-OD2 2.87Å; W1193-D1250 PolarHBondContact NE1-O 3.22Å |
| 1251 | S | 69.5 | Low | 77.1 | Confident | 75 Ų | 75 | 47.3 Ų | 47.3 | 52% | 0.524 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -87 | 150.7 | 171.2 | 51.3 | 0 | 0 | 0 | 0 | 111.6 | L1253 | S1251-L1253 PolarHBondContact O-N 3.05Š|
| 1252 | P | 70.8 | Confident | 76.8 | Confident | 51 Ų | 51 | 48.1 Ų | 48.1 | 33% | 0.331 | 28% | 0.28 | S | S | . | . | trans | -62.6 | 126.2 | 165.2 | 24.8 | -31.1 | 0 | 0 | 0 | 110.1 | F1244 F1245 F1254 | F1244-P1252 CarbonylContact O-C 3.57Å; F1244-P1252 WeakPolarHBondContact O-CA 3.25Å; F1244-P1252 WeakPolarHBondContact O-CB 3.37Å; F1245-P1252 HydrophobicContact CD1-CB 3.87Å; F1245-P1252 HydrophobicContact CE1-CB 3.66Å; F1245-P1252 HydrophobicContact CE1-CG 4.28Å; P1252-F1254 VanDerWaalsContact C-N 3.3Å; P1252-F1254 PolarHBondContact O-N 2.87Å | ||
| 1253 | L | 73.6 | Confident | 76.5 | Confident | 43 Ų | 43 | 48.1 Ų | 48.1 | 23% | 0.225 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -65.1 | -36.3 | 177 | -68.7 | -178.7 | 0 | 0 | 0 | 112 | L1232 F1244 C1249 S1251 L1310 I1312 | L1232-L1253 HydrophobicContact CD1-CD1 4.03Å; F1244-L1253 PolarHBondContact O-N 2.9Å; C1249-L1253 HydrophobicContact CB-CD2 4.16Å; S1251-L1253 PolarHBondContact O-N 3.05Å; L1253-L1310 HydrophobicContact CD1-CD2 3.88Å; L1253-I1312 HydrophobicContact CB-CD1 4.12Å; L1253-I1312 HydrophobicContact CD1-CD1 4.14Å |
| 1254 | F | 77.5 | Confident | 76.1 | Confident | 46 Ų | 46 | 49.2 Ų | 49.2 | 20% | 0.202 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 144.8 | -179.1 | -173.3 | -106.6 | 0 | 0 | 0 | 109.9 | F1244 P1252 C1256 I1312 L1314 | F1244-F1254 HydrophobicContact CB-CB 4.18Å; F1244-F1254 HydrophobicContact CD2-CB 4.11Å; F1244-F1254 AromaticContact CD2-CD1 3.76Å; F1244-F1254 HydrophobicContact CD2-CD1 3.76Å; F1244-F1254 HydrophobicContact CD2-CG 4.44Å; F1244-F1254 AromaticContact CE2-CD1 3.73Å; F1244-F1254 HydrophobicContact CE2-CD1 3.73Å; F1244-F1254 HydrophobicContact CE2-CE1 4.4Å; F1244-F1254 HydrophobicContact CG-CB 4.25Å; F1244-F1254 HydrophobicContact CZ-CD1 4.48Å; F1244-F1254 PolarHBondContact N-O 3.39Å; P1252-F1254 VanDerWaalsContact C-N 3.3Å; P1252-F1254 PolarHBondContact O-N 2.87Å; F1254-C1256 HydrophobicContact CE1-CB 3.87Å; F1254-C1256 HydrophobicContact CZ-CB 4.41Å; F1254-I1312 HydrophobicContact CB-CB 4.08Å; F1254-I1312 HydrophobicContact CB-CD1 4.49Å; F1254-I1312 WeakPolarHBondContact CD2-O 3.38Å; F1254-I1312 HydrophobicContact CG-CB 4.48Å; F1254-L1314 HydrophobicContact CZ-CB 4.35Å |
| 1255 | H | 80.2 | Confident | 75.7 | Confident | 134 Ų | 134 | 49.2 Ų | 49.2 | 62% | 0.62 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 141.6 | 171.7 | 67.5 | -82.7 | 0 | 0 | 0 | 109.8 | I1242 K1243 | I1242-H1255 VanDerWaalsContact O-CA 3.32Å; I1242-H1255 WeakPolarHBondContact O-CA 3.4Å; K1243-H1255 HydrophobicContact CG-CB 3.96Å |
| 1256 | C | 78.2 | Confident | 75.7 | Confident | 28 Ų | 28 | 49.7 Ų | 49.7 | 19% | 0.189 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 129.3 | 178.1 | -166.9 | 0 | 0 | 0 | 0 | 109.4 | I1242 F1254 V1258 | I1242-C1256 PolarHBondContact N-O 3.29Å; I1242-C1256 PolarHBondContact O-N 2.83Å; F1254-C1256 HydrophobicContact CE1-CB 3.87Å; F1254-C1256 HydrophobicContact CZ-CB 4.41Å; C1256-V1258 HydrophobicContact CB-CG2 4.46Å; C1256-V1258 VanDerWaalsContact SG-CG2 3.58Å |
| 1257 | A | 77.8 | Confident | 75.9 | Confident | 74 Ų | 74 | 51.1 Ų | 51.1 | 61% | 0.612 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 97.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||
| 1258 | V | 70.3 | Confident | 76.1 | Confident | 29 Ų | 29 | 51.1 Ų | 51.1 | 18% | 0.176 | 30% | 0.296 | C | S | . | . | trans | -84 | -37.6 | -171.4 | -174.9 | 0 | 0 | 0 | 0 | 111.3 | C1256 Y1283 | C1256-V1258 HydrophobicContact CB-CG2 4.46Å; C1256-V1258 VanDerWaalsContact SG-CG2 3.58Å; V1258-Y1283 HydrophobicContact CG1-CD1 3.5Å; V1258-Y1283 HydrophobicContact CG1-CD2 3.67Å; V1258-Y1283 HydrophobicContact CG1-CE1 3.44Å; V1258-Y1283 VanDerWaalsContact CG1-CE1 3.44Å; V1258-Y1283 HydrophobicContact CG1-CE2 3.63Å; V1258-Y1283 HydrophobicContact CG1-CG 3.6Å | ||
| 1259 | D | 70.3 | Confident | 76.3 | Confident | 40 Ų | 40 | 49.2 Ų | 49.2 | 21% | 0.214 | 29% | 0.289 | C | S | . | . | trans | -149.4 | 160 | 173.2 | 179.9 | 26.8 | 0 | 0 | 0 | 109.6 | G1240 T1261 S1279 | G1240-D1259 WeakPolarHBondContact CA-O 3.28Å; D1259-T1261 VanDerWaalsContact C-N 3.27Å; D1259-T1261 PolarHBondContact O-N 2.98Å; D1259-T1261 WeakPolarHBondContact OD2-CB 3.49Å; D1259-T1261 WeakPolarHBondContact OD2-CG2 3.43Å; D1259-T1261 PolarHBondContact OD2-OG1 3.16Å; D1259-S1279 WeakPolarHBondContact OD2-CB 3.37Å; D1259-S1279 PolarHBondContact OD2-OG 3.16Å | ||
| 1260 | T | 77.1 | Confident | 76.4 | Confident | 122 Ų | 122 | 50.4 Ų | 50.4 | 75% | 0.748 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -78.9 | -3.4 | 178.5 | 58.5 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1261 | T | 80.5 | Confident | 76.5 | Confident | 35 Ų | 35 | 47.1 Ų | 47.1 | 22% | 0.215 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -97.1 | 148.4 | 179.1 | 70.1 | 0 | 0 | 0 | 0 | 111.2 | D1259 H1277 A1278 S1279 | D1259-T1261 VanDerWaalsContact C-N 3.27Å; D1259-T1261 PolarHBondContact O-N 2.98Å; D1259-T1261 WeakPolarHBondContact OD2-CB 3.49Å; D1259-T1261 WeakPolarHBondContact OD2-CG2 3.43Å; D1259-T1261 PolarHBondContact OD2-OG1 3.16Å; T1261-H1277 PolarHBondContact O-ND1 2.84Å; T1261-A1278 PolarHBondContact OG1-N 2.84Å; T1261-S1279 WeakPolarHBondContact OG1-CB 3.46Å; T1261-S1279 PolarHBondContact OG1-N 2.89Å; T1261-S1279 PolarHBondContact OG1-OG 2.71Å |
| 1262 | P | 78.4 | Confident | 76.8 | Confident | 44 Ų | 44 | 43.6 Ų | 43.6 | 29% | 0.286 | 25% | 0.245 | S | C | . | . | trans | -57.8 | 141.5 | -173.2 | 23.1 | -35.8 | 0 | 0 | 0 | 112.4 | E1238 L1264 A1278 | E1238-P1262 HydrophobicContact CB-CB 4.04Å; E1238-P1262 HydrophobicContact CG-CB 4.32Å; P1262-L1264 PolarHBondContact O-N 3.26Å; P1262-A1278 HydrophobicContact CG-CB 3.75Å; P1262-A1278 PolarHBondContact O-N 3.01Å | ||
| 1263 | V | 79.9 | Confident | 77.3 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 113.3 | 172.5 | -179.9 | 0 | 0 | 0 | 0 | 108.2 | S1201 S1237 I1242 V1275 | S1201-V1263 WeakPolarHBondContact CB-O 3.07Å; S1201-V1263 PolarHBondContact OG-O 3.4Å; S1237-V1263 PolarHBondContact O-N 2.83Å; I1242-V1263 HydrophobicContact CG1-CG2 4.34Å; V1263-V1275 HydrophobicContact CG1-CG1 4.17Å |
| 1264 | L | 77.8 | Confident | 77.8 | Confident | 59 Ų | 59 | 39.2 Ų | 39.2 | 31% | 0.309 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | -44.3 | 176.8 | -67.6 | 179 | 0 | 0 | 0 | 111 | Q1202 P1262 S1276 A1278 S1356 | Q1202-L1264 PolarHBondContact NE2-O 2.92Å; P1262-L1264 PolarHBondContact O-N 3.26Å; L1264-S1276 PolarHBondContact N-O 2.92Å; L1264-A1278 HydrophobicContact CD1-CB 4.25Å; L1264-A1278 HydrophobicContact CD2-CB 4.14Å; L1264-A1278 HydrophobicContact CG-CB 4.09Å; L1264-S1356 WeakPolarHBondContact CB-O 3.26Å |
| 1265 | C | 78.6 | Confident | 78 | Confident | 4 Ų | 4 | 37 Ų | 37 | 3% | 0.027 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 148.4 | -177.1 | -167.5 | 0 | 0 | 0 | 0 | 111.4 | S1276 I1357 N1358 L1359 | C1265-S1276 PolarHBondContact N-O 3.26Å; C1265-S1276 PolarHBondContact O-N 2.86Å; C1265-I1357 WeakPolarHBondContact CB-O 3.48Å; C1265-N1358 VanDerWaalsContact SG-CA 3.6Å; C1265-L1359 HydrophobicContact CB-CD1 4.01Å; C1265-L1359 HydrophobicContact CB-CG 3.84Å; C1265-L1359 PolarHBondContact SG-N 3.48Å |
| 1266 | M | 84.1 | Confident | 78.1 | Confident | 9 Ų | 9 | 30.7 Ų | 30.7 | 4% | 0.044 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 160.5 | 162.3 | 81 | 173.6 | 72.3 | 0 | 0 | 110.6 | Q1202 D1204 I1234 S1235 G1236 L1273 G1274 | Q1202-M1266 HydrophobicContact CB-CE 3.87Å; Q1202-M1266 HydrophobicContact CB-CG 4.12Å; D1204-M1266 HydrophobicContact CB-CG 4.26Å; D1204-M1266 HydrophobicContact CB-SD 4.09Å; I1234-M1266 HydrophobicContact CB-SD 3.93Å; I1234-M1266 HydrophobicContact CG2-CE 4.05Å; I1234-M1266 HydrophobicContact CG2-SD 3.51Å; I1234-M1266 VanDerWaalsContact CG2-SD 3.51Å; S1235-M1266 VanDerWaalsContact C-CE 3.49Å; G1236-M1266 VanDerWaalsContact CA-CE 3.47Å; M1266-L1273 HydrophobicContact CB-CD1 4.2Å; M1266-L1273 HydrophobicContact CG-CD1 4.47Å; M1266-L1273 HydrophobicContact SD-CD1 4.22Å; M1266-G1274 CarbonylContact C-O 3.44Å; M1266-G1274 WeakPolarHBondContact CA-O 3.18Å |
| 1267 | N | 83.7 | Confident | 78.1 | Confident | 30 Ų | 30 | 29.3 Ų | 29.3 | 16% | 0.16 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 128.8 | 166.4 | -173.6 | -101.8 | 0 | 0 | 0 | 109.9 | G1274 L1359 L1361 | N1267-G1274 PolarHBondContact N-O 2.75Å; N1267-G1274 PolarHBondContact O-N 3.01Å; N1267-L1359 HydrophobicContact CB-CB 4.02Å; N1267-L1359 WeakPolarHBondContact CB-O 3.23Å; N1267-L1361 WeakPolarHBondContact O-CD1 3.22Å; N1267-L1361 PolarHBondContact OD1-N 3.03Å |
| 1268 | L | 79.8 | Confident | 78 | Confident | 19 Ų | 19 | 28.2 Ų | 28.2 | 10% | 0.099 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 128.2 | 176.8 | -178.6 | 69.9 | 0 | 0 | 0 | 110.7 | D1204 L1206 I1234 L1273 | D1204-L1268 PolarHBondContact OD2-N 3.34Å; L1206-L1268 HydrophobicContact CB-CD2 3.79Å; I1234-L1268 HydrophobicContact CD1-CB 4.15Å; I1234-L1268 HydrophobicContact CD1-CD1 3.65Å; I1234-L1268 HydrophobicContact CD1-CD2 3.53Å; I1234-L1268 HydrophobicContact CD1-CG 3.96Å; I1234-L1268 HydrophobicContact CG1-CD2 4.21Å; L1268-L1273 HydrophobicContact CB-CD1 4.22Å; L1268-L1273 HydrophobicContact CD1-CB 4.16Å; L1268-L1273 HydrophobicContact CD1-CD1 4.39Å |
| 1269 | N | 75 | Confident | 78.1 | Confident | 36 Ų | 36 | 27.9 Ų | 27.9 | 19% | 0.193 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 108.8 | 167.8 | -166.8 | -32.1 | 0 | 0 | 0 | 110.4 | L1271 A1272 L1361 | N1269-L1271 VanDerWaalsContact C-N 3.32Å; N1269-L1271 PolarHBondContact O-N 2.79Å; N1269-A1272 PolarHBondContact N-O 2.87Å; N1269-A1272 PolarHBondContact O-N 2.76Å; N1269-L1361 HydrophobicContact CB-CB 3.71Å; N1269-L1361 HydrophobicContact CB-CD1 4.4Å; N1269-L1361 PolarHBondContact ND2-O 2.83Å |
| 1270 | R | 73.3 | Confident | 78.1 | Confident | 64 Ų | 64 | 27.5 Ų | 27.5 | 24% | 0.242 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | -81.6 | -168.5 | -61.3 | -157.2 | -167.3 | 159.8 | -4.6 | 114.2 | M1363 S1499 L1502 | R1270-M1363 HydrophobicContact CB-CE 4.21Å; R1270-M1363 HydrophobicContact CG-CE 3.8Å; R1270-S1499 PolarHBondContact NE-O 3.22Å; R1270-S1499 PolarHBondContact NH2-O 3.26Å; R1270-L1502 HydrophobicContact CB-CD1 4.24Å |
| 1271 | L | 70.8 | Confident | 77.9 | Confident | 47 Ų | 47 | 22.6 Ų | 22.6 | 25% | 0.246 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -134 | 4.4 | -175.8 | -68.7 | 174.8 | 0 | 0 | 0 | 112.8 | N1269 L1287 V1289 L1502 | N1269-L1271 VanDerWaalsContact C-N 3.32Å; N1269-L1271 PolarHBondContact O-N 2.79Å; L1271-L1287 HydrophobicContact CB-CB 4.48Å; L1271-L1287 WeakPolarHBondContact CB-O 3.46Å; L1271-L1287 HydrophobicContact CD2-CB 4.3Å; L1271-L1287 WeakPolarHBondContact O-CB 3.37Å; L1271-L1287 PolarHBondContact O-N 3.4Å; L1271-V1289 HydrophobicContact CD2-CG2 3.76Å; L1271-L1502 HydrophobicContact CD1-CD1 4.08Å; L1271-L1502 HydrophobicContact CD2-CD1 4.2Å; L1271-L1502 HydrophobicContact CG-CD1 3.82Å |
| 1272 | A | 74.5 | Confident | 77.9 | Confident | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.008 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 125.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109 | N1269 C1285 L1361 Y1385 | N1269-A1272 PolarHBondContact N-O 2.87Å; N1269-A1272 PolarHBondContact O-N 2.76Å; A1272-C1285 WeakPolarHBondContact CA-O 3.43Å; A1272-L1361 HydrophobicContact CB-CD1 3.88Å; A1272-L1361 WeakPolarHBondContact O-CD1 3.18Å; A1272-Y1385 HydrophobicContact CB-CD1 3.99Å; A1272-Y1385 HydrophobicContact CB-CD2 4.42Å; A1272-Y1385 HydrophobicContact CB-CE1 3.77Å; A1272-Y1385 HydrophobicContact CB-CE2 4.24Å; A1272-Y1385 HydrophobicContact CB-CG 4.3Å |
| 1273 | L | 82.4 | Confident | 78 | Confident | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 116.9 | 174.2 | 175.5 | 70 | 0 | 0 | 0 | 109.1 | I1234 I1242 F1244 M1266 L1268 V1275 V1284 C1285 L1287 | I1234-L1273 HydrophobicContact CD1-CD1 4.06Å; I1234-L1273 HydrophobicContact CD1-CD2 4.4Å; I1234-L1273 HydrophobicContact CG2-CD2 4.47Å; I1242-L1273 HydrophobicContact CD1-CD2 4.23Å; I1242-L1273 HydrophobicContact CG2-CD2 4.14Å; F1244-L1273 HydrophobicContact CE2-CD2 4.33Å; F1244-L1273 HydrophobicContact CZ-CD2 3.86Å; M1266-L1273 HydrophobicContact CB-CD1 4.2Å; M1266-L1273 HydrophobicContact CG-CD1 4.47Å; M1266-L1273 HydrophobicContact SD-CD1 4.22Å; L1268-L1273 HydrophobicContact CB-CD1 4.22Å; L1268-L1273 HydrophobicContact CD1-CB 4.16Å; L1268-L1273 HydrophobicContact CD1-CD1 4.39Å; L1273-V1275 HydrophobicContact CD2-CG2 4.06Å; L1273-V1275 HydrophobicContact CG-CG2 3.91Å; L1273-V1284 WeakPolarHBondContact O-CA 3.38Å; L1273-C1285 HydrophobicContact CB-CB 4.29Å; L1273-C1285 PolarHBondContact N-O 3.46Å; L1273-C1285 PolarHBondContact O-N 2.74Å; L1273-L1287 HydrophobicContact CB-CD1 4.38Å |
| 1274 | G | 82.6 | Confident | 78.1 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 138.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | M1266 N1267 | M1266-G1274 CarbonylContact C-O 3.44Å; M1266-G1274 WeakPolarHBondContact CA-O 3.18Å; N1267-G1274 PolarHBondContact N-O 2.75Å; N1267-G1274 PolarHBondContact O-N 3.01Å |
| 1275 | V | 82.9 | Confident | 78.3 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 130 | -175.6 | -171.6 | 0 | 0 | 0 | 0 | 110.3 | I1242 V1263 L1273 H1277 Y1283 | I1242-V1275 HydrophobicContact CD1-CB 4.23Å; I1242-V1275 HydrophobicContact CD1-CG1 3.7Å; I1242-V1275 HydrophobicContact CD1-CG2 3.46Å; I1242-V1275 VanDerWaalsContact CD1-CG2 3.46Å; V1263-V1275 HydrophobicContact CG1-CG1 4.17Å; L1273-V1275 HydrophobicContact CD2-CG2 4.06Å; L1273-V1275 HydrophobicContact CG-CG2 3.91Å; V1275-H1277 WeakPolarHBondContact CG1-NE2 3.36Å; V1275-Y1283 PolarHBondContact N-O 2.73Å; V1275-Y1283 PolarHBondContact O-N 2.74Å |
| 1276 | S | 81 | Confident | 78.3 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 130.7 | 171.8 | -167.5 | 0 | 0 | 0 | 0 | 111.4 | L1264 C1265 S1356 | L1264-S1276 PolarHBondContact N-O 2.92Å; C1265-S1276 PolarHBondContact N-O 3.26Å; C1265-S1276 PolarHBondContact O-N 2.86Å; S1276-S1356 WeakPolarHBondContact CB-OG 3.11Å; S1276-S1356 PolarHBondContact OG-N 2.72Å; S1276-S1356 PolarHBondContact OG-O 2.9Å; S1276-S1356 PolarHBondContact OG-OG 3.12Å |
| 1277 | H | 78.6 | Confident | 77.8 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 148.8 | 179.3 | -77.6 | -92.8 | 0 | 0 | 0 | 111.6 | T1261 V1275 S1279 G1280 S1281 Y1283 | T1261-H1277 PolarHBondContact O-ND1 2.84Å; V1275-H1277 WeakPolarHBondContact CG1-NE2 3.36Å; H1277-S1279 PolarHBondContact O-N 2.82Å; H1277-G1280 PolarHBondContact O-N 2.64Å; H1277-S1281 PolarHBondContact N-O 3.41Å; H1277-S1281 VanDerWaalsContact N-O 3.08Å; H1277-Y1283 AromaticContact CD2-CD2 3.9Å; H1277-Y1283 AromaticContact CD2-CE2 3.94Å |
| 1278 | A | 75.5 | Confident | 77.2 | Confident | 50 Ų | 50 | 21.1 Ų | 21.1 | 41% | 0.413 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -11.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115 | T1261 P1262 L1264 G1280 | T1261-A1278 PolarHBondContact OG1-N 2.84Å; P1262-A1278 HydrophobicContact CG-CB 3.75Å; P1262-A1278 PolarHBondContact O-N 3.01Å; L1264-A1278 HydrophobicContact CD1-CB 4.25Å; L1264-A1278 HydrophobicContact CD2-CB 4.14Å; L1264-A1278 HydrophobicContact CG-CB 4.09Å; A1278-G1280 PolarHBondContact O-N 3.4Å |
| 1279 | S | 72.3 | Confident | 76.7 | Confident | 23 Ų | 23 | 21.5 Ų | 21.5 | 16% | 0.161 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -8.6 | 166.8 | 53.8 | 0 | 0 | 0 | 0 | 114.9 | D1259 T1261 H1277 R1353 | D1259-S1279 WeakPolarHBondContact OD2-CB 3.37Å; D1259-S1279 PolarHBondContact OD2-OG 3.16Å; T1261-S1279 WeakPolarHBondContact OG1-CB 3.46Å; T1261-S1279 PolarHBondContact OG1-N 2.89Å; T1261-S1279 PolarHBondContact OG1-OG 2.71Å; H1277-S1279 PolarHBondContact O-N 2.82Å; S1279-R1353 VanDerWaalsContact O-CD 3.24Å; S1279-R1353 WeakPolarHBondContact O-CD 3.01Å; S1279-R1353 PolarHBondContact O-NH1 3.46Å; S1279-R1353 VanDerWaalsContact O-NH1 3.15Å |
| 1280 | G | 70.5 | Confident | 76.1 | Confident | 31 Ų | 31 | 22.3 Ų | 22.3 | 32% | 0.32 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83 | 17.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | H1277 A1278 | H1277-G1280 PolarHBondContact O-N 2.64Å; A1278-G1280 PolarHBondContact O-N 3.4Å |
| 1281 | S | 73.6 | Confident | 75.4 | Confident | 20 Ų | 20 | 21.2 Ų | 21.2 | 14% | 0.14 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 129.8 | -179.2 | -69 | 0 | 0 | 0 | 0 | 111.7 | H1277 Y1283 | H1277-S1281 PolarHBondContact N-O 3.41Å; H1277-S1281 VanDerWaalsContact N-O 3.08Å; S1281-Y1283 VanDerWaalsContact CB-CE2 3.47Å |
| 1282 | L | 80.5 | Confident | 74.4 | Confident | 8 Ų | 8 | 23.6 Ų | 23.6 | 4% | 0.042 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 121.6 | -178 | -175.5 | 70 | 0 | 0 | 0 | 109.2 | L1320 L1359 L1387 T1389 W1399 | L1282-L1320 HydrophobicContact CB-CB 4.34Å; L1282-L1320 HydrophobicContact CD2-CB 4.08Å; L1282-L1320 HydrophobicContact CD2-CD1 3.71Å; L1282-L1320 HydrophobicContact CG-CB 4.36Å; L1282-L1320 HydrophobicContact CG-CD1 4.09Å; L1282-L1320 PolarHBondContact O-N 2.73Å; L1282-L1359 HydrophobicContact CD1-CD1 4.41Å; L1282-L1359 HydrophobicContact CD1-CD2 3.65Å; L1282-L1387 HydrophobicContact CD1-CD2 4.1Å; L1282-L1387 HydrophobicContact CD2-CD2 3.85Å; L1282-L1387 HydrophobicContact CG-CD2 4.08Å; L1282-T1389 HydrophobicContact CD1-CG2 3.97Å; L1282-T1389 HydrophobicContact CD2-CG2 3.65Å; L1282-T1389 HydrophobicContact CG-CG2 4.48Å; L1282-W1399 HydrophobicContact CD2-CD2 4.11Å; L1282-W1399 HydrophobicContact CD2-CG 4.43Å; L1282-W1399 HydrophobicContact CD2-CZ2 3.85Å |
| 1283 | Y | 80.7 | Confident | 73 | Confident | 35 Ų | 35 | 26.9 Ų | 26.9 | 14% | 0.137 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 142.8 | -177.5 | -60 | -98.7 | 0 | 0 | 0 | 110.6 | V1258 V1275 H1277 S1281 L1317 S1318 L1319 | V1258-Y1283 HydrophobicContact CG1-CD1 3.5Å; V1258-Y1283 HydrophobicContact CG1-CD2 3.67Å; V1258-Y1283 HydrophobicContact CG1-CE1 3.44Å; V1258-Y1283 VanDerWaalsContact CG1-CE1 3.44Å; V1258-Y1283 HydrophobicContact CG1-CE2 3.63Å; V1258-Y1283 HydrophobicContact CG1-CG 3.6Å; V1275-Y1283 PolarHBondContact N-O 2.73Å; V1275-Y1283 PolarHBondContact O-N 2.74Å; H1277-Y1283 AromaticContact CD2-CD2 3.9Å; H1277-Y1283 AromaticContact CD2-CE2 3.94Å; S1281-Y1283 VanDerWaalsContact CB-CE2 3.47Å; Y1283-L1317 HydrophobicContact CD1-CD1 4.07Å; Y1283-L1317 HydrophobicContact CD1-CG 4.5Å; Y1283-S1318 CarbonylContact C-O 3.54Å; Y1283-S1318 WeakPolarHBondContact CA-O 3.38Å; Y1283-L1319 HydrophobicContact CD1-CB 4.32Å; Y1283-L1319 HydrophobicContact CD1-CD1 3.94Å; Y1283-L1319 HydrophobicContact CD2-CD1 4.44Å; Y1283-L1319 HydrophobicContact CE1-CB 4.34Å; Y1283-L1319 HydrophobicContact CE1-CD1 3.62Å; Y1283-L1319 HydrophobicContact CE1-CG 4.5Å; Y1283-L1319 HydrophobicContact CE2-CD1 4.14Å; Y1283-L1319 HydrophobicContact CG-CD1 4.36Å |
| 1284 | V | 82.6 | Confident | 71.1 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 120.2 | 165.9 | 179.2 | 0 | 0 | 0 | 0 | 109.6 | L1273 S1318 L1320 L1387 L1401 | L1273-V1284 WeakPolarHBondContact O-CA 3.38Å; V1284-S1318 WeakPolarHBondContact CB-OG 3.16Å; V1284-S1318 PolarHBondContact N-O 3.49Å; V1284-S1318 PolarHBondContact O-N 3.06Å; V1284-S1318 PolarHBondContact O-OG 3.23Å; V1284-L1320 HydrophobicContact CG2-CD1 3.97Å; V1284-L1387 HydrophobicContact CG2-CD2 3.64Å; V1284-L1401 HydrophobicContact CB-CD2 4.48Å; V1284-L1401 HydrophobicContact CG1-CD1 4.32Å; V1284-L1401 HydrophobicContact CG2-CD2 3.86Å |
| 1285 | C | 81.4 | Confident | 69 | Low | 6 Ų | 6 | 36.8 Ų | 36.8 | 4% | 0.041 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 121.7 | 178.5 | -58.1 | 0 | 0 | 0 | 0 | 109.1 | A1272 L1273 L1314 D1316 L1317 | A1272-C1285 WeakPolarHBondContact CA-O 3.43Å; L1273-C1285 HydrophobicContact CB-CB 4.29Å; L1273-C1285 PolarHBondContact N-O 3.46Å; L1273-C1285 PolarHBondContact O-N 2.74Å; C1285-L1314 HydrophobicContact CB-CD1 3.61Å; C1285-D1316 WeakPolarHBondContact CA-O 3.45Å; C1285-L1317 WeakPolarHBondContact SG-CD1 3.44Å |
| 1286 | C | 78.3 | Confident | 66.9 | Low | 7 Ų | 7 | 43.5 Ų | 43.5 | 5% | 0.047 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 130.7 | 165.8 | -73.8 | 0 | 0 | 0 | 0 | 109.2 | I1315 D1316 L1382 | C1286-I1315 HydrophobicContact CB-CB 4.16Å; C1286-I1315 PolarHBondContact O-N 3.06Å; C1286-D1316 HydrophobicContact CB-CB 4.37Å; C1286-D1316 PolarHBondContact N-O 3.24Å; C1286-L1382 VanDerWaalsContact SG-CD2 3.55Å |
| 1287 | L | 74.4 | Confident | 64.5 | Low | 7 Ų | 7 | 49.7 Ų | 49.7 | 4% | 0.037 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 149.8 | -173.5 | -57 | 167.9 | 0 | 0 | 0 | 111.3 | F1244 L1271 L1273 I1312 R1313 L1314 I1315 | F1244-L1287 HydrophobicContact CE1-CD1 3.55Å; F1244-L1287 HydrophobicContact CZ-CD1 3.61Å; F1244-L1287 HydrophobicContact CZ-CD2 4.34Å; L1271-L1287 HydrophobicContact CB-CB 4.48Å; L1271-L1287 WeakPolarHBondContact CB-O 3.46Å; L1271-L1287 HydrophobicContact CD2-CB 4.3Å; L1271-L1287 WeakPolarHBondContact O-CB 3.37Å; L1271-L1287 PolarHBondContact O-N 3.4Å; L1273-L1287 HydrophobicContact CB-CD1 4.38Å; L1287-I1312 HydrophobicContact CB-CG2 4.34Å; L1287-I1312 HydrophobicContact CD2-CG2 4.19Å; L1287-R1313 CarbonylContact C-O 3.56Å; L1287-R1313 VanDerWaalsContact CA-O 3.25Å; L1287-R1313 WeakPolarHBondContact CA-O 3.34Å; L1287-L1314 HydrophobicContact CD2-CD1 4.06Å; L1287-I1315 WeakPolarHBondContact O-CD1 3.34Å |
| 1288 | E | 71.5 | Confident | 62.3 | Low | 87 Ų | 87 | 52.1 Ų | 52.1 | 41% | 0.407 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 135.4 | 167.3 | -153 | 173.9 | -162.6 | 0 | 0 | 108.6 | L1290 I1312 R1313 I1315 | E1288-L1290 HydrophobicContact CG-CD2 4.41Å; E1288-L1290 HydrophobicContact CG-CG 4.09Å; E1288-I1312 CarbonylContact O-C 3.42Å; E1288-I1312 WeakPolarHBondContact O-CA 3.25Å; E1288-R1313 HydrophobicContact CB-CB 4.29Å; E1288-R1313 PolarHBondContact N-O 3.02Å; E1288-R1313 PolarHBondContact O-N 3.48Å; E1288-I1315 HydrophobicContact CB-CD1 3.79Å; E1288-I1315 HydrophobicContact CB-CG1 3.78Å; E1288-I1315 HydrophobicContact CG-CD1 4.26Å |
| 1289 | V | 67.7 | Low | 60.3 | Low | 26 Ų | 26 | 56.3 Ų | 56.3 | 16% | 0.158 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 109.7 | 169.2 | 172.6 | 0 | 0 | 0 | 0 | 107.5 | L1271 L1310 I1312 L1504 | L1271-V1289 HydrophobicContact CD2-CG2 3.76Å; V1289-L1310 HydrophobicContact CG1-CD2 3.61Å; V1289-L1310 HydrophobicContact CG1-CG 4.01Å; V1289-I1312 HydrophobicContact CG2-CG1 4.47Å; V1289-L1504 HydrophobicContact CG1-CD1 4.4Å; V1289-L1504 HydrophobicContact CG1-CD2 4.02Å |
| 1290 | L | 62.5 | Low | 58.2 | Low | 53 Ų | 53 | 63.2 Ų | 63.2 | 28% | 0.277 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 119.4 | 179.9 | -72.7 | 162.3 | 0 | 0 | 0 | 109.8 | E1288 K1292 E1311 R1313 | E1288-L1290 HydrophobicContact CG-CD2 4.41Å; E1288-L1290 HydrophobicContact CG-CG 4.09Å; L1290-K1292 PolarHBondContact O-N 3.49Å; L1290-E1311 PolarHBondContact N-O 3.49Å; L1290-E1311 PolarHBondContact O-N 3.31Å; L1290-R1313 HydrophobicContact CD1-CG 3.99Å |
| 1291 | H | 58.9 | Low | 56.4 | Low | 42 Ų | 42 | 69.6 Ų | 69.6 | 19% | 0.194 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 116.8 | 162.8 | -95.7 | -124.3 | 0 | 0 | 0 | 109.2 | E1308 T1506 | H1291-E1308 IonicContact CE1-OE2 2.74Å; H1291-E1308 PolarHBondContact CE1-OE2 2.93Å; H1291-E1308 IonicContact CG-OE2 2.75Å; H1291-E1308 IonicContact ND1-OE2 3.94Å; H1291-E1308 PolarHBondContact ND1-OE2 3.18Å; H1291-T1506 HydrophobicContact CB-CG2 4.15Å |
| 1292 | K | 49.9 | Very low | 54.3 | Low | 96 Ų | 96 | 78.4 Ų | 78.4 | 42% | 0.417 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 92 | 179.3 | -165.1 | -174.6 | -152.2 | 164.6 | 0 | 109.6 | L1290 T1294 S1309 E1311 | L1290-K1292 PolarHBondContact O-N 3.49Å; K1292-T1294 PolarHBondContact O-N 2.82Å; K1292-S1309 WeakPolarHBondContact CB-O 3.31Å; K1292-S1309 PolarHBondContact N-O 3.4Å; K1292-S1309 PolarHBondContact O-N 3.48Å; K1292-E1311 WeakPolarHBondContact CD-OE2 3.28Å; K1292-E1311 WeakPolarHBondContact CE-OE2 3.22Å; K1292-E1311 IonicContact NZ-OE2 3.94Å; K1292-E1311 PolarHBondContact NZ-OE2 3.46Å |
| 1293 | T | 46.1 | Very low | 51.9 | Low | 71 Ų | 71 | 82.9 Ų | 82.9 | 44% | 0.436 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 101.3 | 169.9 | 40 | 0 | 0 | 0 | 0 | 109.8 | N1295 E1308 | T1293-N1295 VanDerWaalsContact C-N 3.31Å; T1293-N1295 PolarHBondContact O-N 2.82Å; T1293-E1308 HydrophobicContact CG2-CG 4.03Å; T1293-E1308 WeakPolarHBondContact CG2-OE1 3.46Å |
| 1294 | T | 41.3 | Very low | 49.3 | Very low | 78 Ų | 78 | 91 Ų | 91 | 48% | 0.479 | 51% | 0.506 | S | S | . | . | trans | -75.9 | 82.7 | 175.7 | 54.6 | 0 | 0 | 0 | 0 | 110.5 | K1292 N1296 | K1292-T1294 PolarHBondContact O-N 2.82Å; T1294-N1296 VanDerWaalsContact C-N 3.31Å; T1294-N1296 PolarHBondContact O-N 3.16Å | ||
| 1295 | N | 38.6 | Very low | 46.9 | Very low | 131 Ų | 131 | 98.2 Ų | 98.2 | 70% | 0.701 | 54% | 0.544 | S | S | * | . | trans | -68.4 | 88.6 | 169.9 | -81.8 | -4.6 | 0 | 0 | 0 | 109.9 | T1293 S1297 | T1293-N1295 VanDerWaalsContact C-N 3.31Å; T1293-N1295 PolarHBondContact O-N 2.82Å; N1295-S1297 PolarHBondContact O-N 2.77Å | ||
| 1296 | N | 38.7 | Very low | 44.6 | Very low | 142 Ų | 142 | 105.1 Ų | 105.1 | 76% | 0.759 | 58% | 0.576 | S | S | * | * | trans | -66.7 | 94 | 170.7 | -75.9 | -9 | 0 | 0 | 0 | 109.5 | T1294 G1298 | T1294-N1296 VanDerWaalsContact C-N 3.31Å; T1294-N1296 PolarHBondContact O-N 3.16Å; N1296-G1298 PolarHBondContact O-N 2.98Å | ||
| 1297 | S | 31.6 | Very low | 42.8 | Very low | 129 Ų | 129 | 111 Ų | 111 | 90% | 0.902 | 61% | 0.606 | S | S | * | * | trans | -74.4 | 71.3 | 173.5 | 59.5 | 0 | 0 | 0 | 0 | 110.6 | N1295 | N1295-S1297 PolarHBondContact O-N 2.77Š| ||
| 1298 | G | 31.1 | Very low | 41.5 | Very low | 52 Ų | 52 | 113.3 Ų | 113.3 | 54% | 0.536 | 62% | 0.617 | S | S | . | * | S | Bend | trans | 164.1 | 144.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | N1296 | N1296-G1298 PolarHBondContact O-N 2.98Š|
| 1299 | V | 34 | Very low | 40.6 | Very low | 138 Ų | 138 | 111.6 Ų | 111.6 | 84% | 0.836 | 61% | 0.614 | S | S | * | * | trans | 70.1 | 111.9 | 179.2 | -169.4 | 0 | 0 | 0 | 0 | 115.1 | L1301 | V1299-L1301 PolarHBondContact O-N 3.43Š| ||
| 1300 | N | 28.9 | Very low | 40.4 | Very low | 168 Ų | 168 | 111.2 Ų | 111.2 | 90% | 0.898 | 61% | 0.611 | S | S | * | * | trans | -64.3 | 122.3 | 169.8 | -72.2 | -51.5 | 0 | 0 | 0 | 111.3 | ||||
| 1301 | L | 32.5 | Very low | 40.6 | Very low | 165 Ų | 165 | 111.1 Ų | 111.1 | 86% | 0.864 | 61% | 0.609 | S | S | * | * | trans | -148.6 | 136.5 | 157.3 | -107.7 | 156.4 | 0 | 0 | 0 | 109.8 | V1299 | V1299-L1301 PolarHBondContact O-N 3.43Š| ||
| 1302 | K | 28.4 | Very low | 41.1 | Very low | 204 Ų | 204 | 109.5 Ų | 109.5 | 89% | 0.887 | 60% | 0.602 | S | S | * | * | trans | -81.3 | 169.8 | 179.7 | -66.7 | 178.5 | 178.8 | 177.5 | 0 | 110.7 | ||||
| 1303 | A | 31.1 | Very low | 41.8 | Very low | 103 Ų | 103 | 110.9 Ų | 110.9 | 85% | 0.851 | 60% | 0.604 | S | S | * | * | S | Bend | trans | 83.2 | 115 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | N1305 | A1303-N1305 PolarHBondContact O-N 3.21Š|
| 1304 | K | 25.7 | Very low | 43 | Very low | 204 Ų | 204 | 110.6 Ų | 110.6 | 89% | 0.887 | 60% | 0.6 | S | S | * | * | trans | -58.2 | 125 | 177.9 | -63.3 | 173.7 | 173.5 | -175.9 | 0 | 110.8 | ||||
| 1305 | N | 33.4 | Very low | 44.3 | Very low | 153 Ų | 153 | 110.2 Ų | 110.2 | 82% | 0.818 | 59% | 0.594 | S | S | * | * | trans | -162.4 | 87.9 | 147.7 | -98.3 | -19.5 | 0 | 0 | 0 | 107.7 | A1303 I1307 | A1303-N1305 PolarHBondContact O-N 3.21Å; N1305-I1307 PolarHBondContact O-N 3.07Å | ||
| 1306 | Q | 31.9 | Very low | 45.7 | Very low | 151 Ų | 151 | 105.6 Ų | 105.6 | 71% | 0.706 | 57% | 0.57 | S | S | * | * | trans | -70.9 | 107.1 | 167.9 | -76.1 | 171.8 | -73 | 0 | 0 | 107.4 | E1308 | Q1306-E1308 VanDerWaalsContact C-N 3.29Å; Q1306-E1308 PolarHBondContact O-N 2.92Å | ||
| 1307 | I | 39.7 | Very low | 47.3 | Very low | 132 Ų | 132 | 102.5 Ų | 102.5 | 68% | 0.677 | 55% | 0.553 | S | S | * | * | trans | -77 | 86.8 | 175.5 | -57.7 | 174.6 | 0 | 0 | 0 | 107.3 | N1305 S1309 | N1305-I1307 PolarHBondContact O-N 3.07Å; I1307-S1309 PolarHBondContact O-N 3.31Å | ||
| 1308 | E | 47.3 | Very low | 49.2 | Very low | 55 Ų | 55 | 96.4 Ų | 96.4 | 26% | 0.257 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 109.1 | 171.3 | -59.8 | -159.7 | 157.6 | 0 | 0 | 109.1 | N1212 H1291 T1293 Q1306 | N1212-E1308 PolarHBondContact ND2-OE2 2.68Å; H1291-E1308 IonicContact CE1-OE2 2.74Å; H1291-E1308 PolarHBondContact CE1-OE2 2.93Å; H1291-E1308 IonicContact CG-OE2 2.75Å; H1291-E1308 IonicContact ND1-OE2 3.94Å; H1291-E1308 PolarHBondContact ND1-OE2 3.18Å; T1293-E1308 HydrophobicContact CG2-CG 4.03Å; T1293-E1308 WeakPolarHBondContact CG2-OE1 3.46Å; Q1306-E1308 VanDerWaalsContact C-N 3.29Å; Q1306-E1308 PolarHBondContact O-N 2.92Å |
| 1309 | S | 54.2 | Low | 51.2 | Low | 51 Ų | 51 | 97.3 Ų | 97.3 | 36% | 0.357 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 126.3 | 174.9 | 50.9 | 0 | 0 | 0 | 0 | 110 | K1292 I1307 E1311 | K1292-S1309 WeakPolarHBondContact CB-O 3.31Å; K1292-S1309 PolarHBondContact N-O 3.4Å; K1292-S1309 PolarHBondContact O-N 3.48Å; I1307-S1309 PolarHBondContact O-N 3.31Å; S1309-E1311 PolarHBondContact O-N 3.27Å |
| 1310 | L | 62.5 | Low | 52.7 | Low | 17 Ų | 17 | 91 Ų | 91 | 9% | 0.089 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 89.8 | -176.1 | -160.5 | 156 | 0 | 0 | 0 | 108.5 | Y1208 L1253 V1289 I1312 | Y1208-L1310 HydrophobicContact CE2-CD1 3.66Å; L1253-L1310 HydrophobicContact CD1-CD2 3.88Å; V1289-L1310 HydrophobicContact CG1-CD2 3.61Å; V1289-L1310 HydrophobicContact CG1-CG 4.01Å; L1310-I1312 HydrophobicContact CD2-CG1 4.26Å |
| 1311 | E | 66.7 | Low | 54.1 | Low | 52 Ų | 52 | 88.9 Ų | 88.9 | 24% | 0.243 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 115.4 | -174.7 | -172 | 177.7 | 127.3 | 0 | 0 | 110.3 | L1290 K1292 S1309 R1313 | L1290-E1311 PolarHBondContact N-O 3.49Å; L1290-E1311 PolarHBondContact O-N 3.31Å; K1292-E1311 WeakPolarHBondContact CD-OE2 3.28Å; K1292-E1311 WeakPolarHBondContact CE-OE2 3.22Å; K1292-E1311 IonicContact NZ-OE2 3.94Å; K1292-E1311 PolarHBondContact NZ-OE2 3.46Å; S1309-E1311 PolarHBondContact O-N 3.27Å; E1311-R1313 HydrophobicContact CG-CG 4.46Å; E1311-R1313 IonicContact OE1-CZ 3.56Å; E1311-R1313 IonicContact OE1-NE 3.55Å; E1311-R1313 PolarHBondContact OE1-NE 2.99Å; E1311-R1313 IonicContact OE1-NH2 2.7Å; E1311-R1313 PolarHBondContact OE1-NH2 3.28Å |
| 1312 | I | 70.4 | Confident | 54.8 | Low | 8 Ų | 8 | 85.9 Ų | 85.9 | 4% | 0.041 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 123.2 | 174 | -53.5 | 177 | 0 | 0 | 0 | 108.9 | L1232 F1244 L1253 F1254 L1287 E1288 V1289 L1310 | L1232-I1312 HydrophobicContact CD1-CD1 3.66Å; L1232-I1312 HydrophobicContact CD2-CD1 4.01Å; L1232-I1312 HydrophobicContact CG-CD1 4.48Å; F1244-I1312 HydrophobicContact CB-CD1 4.15Å; F1244-I1312 HydrophobicContact CD1-CD1 3.84Å; F1244-I1312 HydrophobicContact CG-CD1 4.26Å; L1253-I1312 HydrophobicContact CB-CD1 4.12Å; L1253-I1312 HydrophobicContact CD1-CD1 4.14Å; F1254-I1312 HydrophobicContact CB-CB 4.08Å; F1254-I1312 HydrophobicContact CB-CD1 4.49Å; F1254-I1312 WeakPolarHBondContact CD2-O 3.38Å; F1254-I1312 HydrophobicContact CG-CB 4.48Å; L1287-I1312 HydrophobicContact CB-CG2 4.34Å; L1287-I1312 HydrophobicContact CD2-CG2 4.19Å; E1288-I1312 CarbonylContact O-C 3.42Å; E1288-I1312 WeakPolarHBondContact O-CA 3.25Å; V1289-I1312 HydrophobicContact CG2-CG1 4.47Å; L1310-I1312 HydrophobicContact CD2-CG1 4.26Å |
| 1313 | R | 64.7 | Low | 55.1 | Low | 124 Ų | 124 | 79.3 Ų | 79.3 | 47% | 0.468 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 154 | 173.5 | -68 | -167.6 | -180 | 172.9 | -0.2 | 112 | L1287 E1288 L1290 E1311 | L1287-R1313 CarbonylContact C-O 3.56Å; L1287-R1313 VanDerWaalsContact CA-O 3.25Å; L1287-R1313 WeakPolarHBondContact CA-O 3.34Å; E1288-R1313 HydrophobicContact CB-CB 4.29Å; E1288-R1313 PolarHBondContact N-O 3.02Å; E1288-R1313 PolarHBondContact O-N 3.48Å; L1290-R1313 HydrophobicContact CD1-CG 3.99Å; E1311-R1313 HydrophobicContact CG-CG 4.46Å; E1311-R1313 IonicContact OE1-CZ 3.56Å; E1311-R1313 IonicContact OE1-NE 3.55Å; E1311-R1313 PolarHBondContact OE1-NE 2.99Å; E1311-R1313 IonicContact OE1-NH2 2.7Å; E1311-R1313 PolarHBondContact OE1-NH2 3.28Å |
| 1314 | L | 70.5 | Confident | 54.8 | Low | 65 Ų | 65 | 84.7 Ų | 84.7 | 34% | 0.34 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 115.8 | 170.8 | -174.3 | 65.2 | 0 | 0 | 0 | 108.7 | F1254 C1285 L1287 L1317 | F1254-L1314 HydrophobicContact CZ-CB 4.35Å; C1285-L1314 HydrophobicContact CB-CD1 3.61Å; L1287-L1314 HydrophobicContact CD2-CD1 4.06Å; L1314-L1317 HydrophobicContact CD2-CB 4.2Å |
| 1315 | I | 69.2 | Low | 54.8 | Low | 70 Ų | 70 | 78.5 Ų | 78.5 | 36% | 0.359 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | -48 | -178.7 | -53.6 | 174.4 | 0 | 0 | 0 | 111.2 | C1286 L1287 E1288 | C1286-I1315 HydrophobicContact CB-CB 4.16Å; C1286-I1315 PolarHBondContact O-N 3.06Å; L1287-I1315 WeakPolarHBondContact O-CD1 3.34Å; E1288-I1315 HydrophobicContact CB-CD1 3.79Å; E1288-I1315 HydrophobicContact CB-CG1 3.78Å; E1288-I1315 HydrophobicContact CG-CD1 4.26Å |
| 1316 | D | 67.8 | Low | 54.4 | Low | 35 Ų | 35 | 78.8 Ų | 78.8 | 19% | 0.187 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 146.8 | 177.3 | -171.1 | 10.1 | 0 | 0 | 0 | 108.9 | C1285 C1286 L1382 K1404 | C1285-D1316 WeakPolarHBondContact CA-O 3.45Å; C1286-D1316 HydrophobicContact CB-CB 4.37Å; C1286-D1316 PolarHBondContact N-O 3.24Å; D1316-L1382 WeakPolarHBondContact OD2-CD1 3.42Å; D1316-K1404 IonicContact OD2-NZ 2.92Å; D1316-K1404 PolarHBondContact OD2-NZ 3.46Å |
| 1317 | L | 72.4 | Confident | 54.2 | Low | 77 Ų | 77 | 74.6 Ų | 74.6 | 40% | 0.403 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 99.5 | 173.5 | 178 | 63 | 0 | 0 | 0 | 108 | Y1283 C1285 L1314 | Y1283-L1317 HydrophobicContact CD1-CD1 4.07Å; Y1283-L1317 HydrophobicContact CD1-CG 4.5Å; C1285-L1317 WeakPolarHBondContact SG-CD1 3.44Å; L1314-L1317 HydrophobicContact CD2-CB 4.2Å |
| 1318 | S | 70.9 | Confident | 53.6 | Low | 1 Ų | 1 | 73.3 Ų | 73.3 | 1% | 0.007 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 115.6 | -177.7 | 61.3 | 0 | 0 | 0 | 0 | 111.5 | Y1283 V1284 K1404 | Y1283-S1318 CarbonylContact C-O 3.54Å; Y1283-S1318 WeakPolarHBondContact CA-O 3.38Å; V1284-S1318 WeakPolarHBondContact CB-OG 3.16Å; V1284-S1318 PolarHBondContact N-O 3.49Å; V1284-S1318 PolarHBondContact O-N 3.06Å; V1284-S1318 PolarHBondContact O-OG 3.23Å; S1318-K1404 VanDerWaalsContact CB-CE 3.45Å |
| 1319 | L | 72.6 | Confident | 52.8 | Low | 70 Ų | 70 | 77.5 Ų | 77.5 | 37% | 0.366 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 120.6 | 167.3 | 177.7 | 73.1 | 0 | 0 | 0 | 109.1 | Y1283 N1321 | Y1283-L1319 HydrophobicContact CD1-CB 4.32Å; Y1283-L1319 HydrophobicContact CD1-CD1 3.94Å; Y1283-L1319 HydrophobicContact CD2-CD1 4.44Å; Y1283-L1319 HydrophobicContact CE1-CB 4.34Å; Y1283-L1319 HydrophobicContact CE1-CD1 3.62Å; Y1283-L1319 HydrophobicContact CE1-CG 4.5Å; Y1283-L1319 HydrophobicContact CE2-CD1 4.14Å; Y1283-L1319 HydrophobicContact CG-CD1 4.36Å; L1319-N1321 HydrophobicContact CD2-CB 4Å; L1319-N1321 HydrophobicContact CG-CB 4.07Å; L1319-N1321 PolarHBondContact O-N 2.97Å |
| 1320 | L | 65.9 | Low | 51.8 | Low | 7 Ų | 7 | 81.5 Ų | 81.5 | 4% | 0.037 | 45% | 0.452 | C | S | . | . | trans | -90.3 | 80.3 | 177 | -67.4 | 169.8 | 0 | 0 | 0 | 109.5 | L1282 V1284 L1387 W1399 L1401 K1404 | L1282-L1320 HydrophobicContact CB-CB 4.34Å; L1282-L1320 HydrophobicContact CD2-CB 4.08Å; L1282-L1320 HydrophobicContact CD2-CD1 3.71Å; L1282-L1320 HydrophobicContact CG-CB 4.36Å; L1282-L1320 HydrophobicContact CG-CD1 4.09Å; L1282-L1320 PolarHBondContact O-N 2.73Å; V1284-L1320 HydrophobicContact CG2-CD1 3.97Å; L1320-L1387 HydrophobicContact CD1-CD2 3.79Å; L1320-W1399 HydrophobicContact CB-CD2 4.49Å; L1320-W1399 HydrophobicContact CB-CE3 3.89Å; L1320-W1399 HydrophobicContact CB-CH2 4.35Å; L1320-W1399 HydrophobicContact CB-CZ3 3.81Å; L1320-W1399 HydrophobicContact CD1-CB 4.34Å; L1320-W1399 HydrophobicContact CD1-CD2 4.27Å; L1320-W1399 HydrophobicContact CD1-CE3 4.27Å; L1320-W1399 HydrophobicContact CD1-CG 4.33Å; L1320-W1399 HydrophobicContact CD2-CE3 4.18Å; L1320-W1399 HydrophobicContact CG-CE3 4.34Å; L1320-L1401 HydrophobicContact CD1-CD2 3.7Å; L1320-L1401 HydrophobicContact CD2-CD2 4.16Å; L1320-L1401 HydrophobicContact CG-CD2 4.48Å; L1320-K1404 HydrophobicContact CD2-CB 3.98Å; L1320-K1404 HydrophobicContact CD2-CG 4.31Å | ||
| 1321 | N | 58.2 | Low | 50.4 | Low | 122 Ų | 122 | 89 Ų | 89 | 65% | 0.652 | 49% | 0.487 | S | S | * | . | trans | -102.2 | 126.4 | -175.2 | -153.6 | 0.9 | 0 | 0 | 0 | 111.7 | L1319 G1323 | L1319-N1321 HydrophobicContact CD2-CB 4Å; L1319-N1321 HydrophobicContact CG-CB 4.07Å; L1319-N1321 PolarHBondContact O-N 2.97Å; N1321-G1323 PolarHBondContact O-N 2.83Å; N1321-G1323 VanDerWaalsContact O-N 3.17Å | ||
| 1322 | N | 48.1 | Very low | 48.7 | Very low | 103 Ų | 103 | 94.8 Ų | 94.8 | 55% | 0.551 | 51% | 0.514 | S | S | * | . | trans | -71.9 | 109.6 | -173.9 | -87.7 | -34.4 | 0 | 0 | 0 | 112.8 | I1406 | N1322-I1406 WeakPolarHBondContact OD1-CD1 3.19Š| ||
| 1323 | G | 33.4 | Very low | 46.7 | Very low | 66 Ų | 66 | 102.7 Ų | 102.7 | 68% | 0.68 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -83.9 | 121 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | N1321 | N1321-G1323 PolarHBondContact O-N 2.83Å; N1321-G1323 VanDerWaalsContact O-N 3.17Å |
| 1324 | F | 25.7 | Very low | 45.1 | Very low | 215 Ų | 215 | 101.7 Ų | 101.7 | 94% | 0.943 | 57% | 0.566 | S | S | * | * | S | Bend | -92.7 | 123.3 | 124 | -98.9 | -93.3 | 0 | 0 | 0 | 106.5 | |||
| 1325 | G | 24.5 | Very low | 43 | Very low | 75 Ų | 75 | 103 Ų | 103 | 77% | 0.773 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 149.3 | -150.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 1326 | I | 26.1 | Very low | 41 | Very low | 159 Ų | 159 | 104 Ų | 104 | 82% | 0.815 | 60% | 0.599 | S | S | * | * | trans | -128.7 | 161.8 | 162.5 | -68.4 | 177.5 | 0 | 0 | 0 | 107.5 | ||||
| 1327 | S | 27 | Very low | 39 | Very low | 63 Ų | 63 | 107.1 Ų | 107.1 | 44% | 0.441 | 62% | 0.624 | S | S | . | * | trans | -50.3 | 158.8 | -164.1 | 46.4 | 0 | 0 | 0 | 0 | 118.5 | E1329 | S1327-E1329 WeakPolarHBondContact CB-OE2 3.34Å; S1327-E1329 PolarHBondContact O-N 2.7Å; S1327-E1329 PolarHBondContact OG-OE2 3.1Å | ||
| 1328 | S | 27.1 | Very low | 36.8 | Very low | 105 Ų | 105 | 112 Ų | 112 | 73% | 0.734 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | 20.6 | 179.7 | 52.7 | 0 | 0 | 0 | 0 | 115.6 | ||
| 1329 | E | 31.7 | Very low | 34.7 | Very low | 142 Ų | 142 | 118 Ų | 118 | 66% | 0.664 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -14.2 | -170.2 | -67.9 | 165.4 | 123 | 0 | 0 | 113.5 | S1327 | S1327-E1329 WeakPolarHBondContact CB-OE2 3.34Å; S1327-E1329 PolarHBondContact O-N 2.7Å; S1327-E1329 PolarHBondContact OG-OE2 3.1Å |
| 1330 | I | 33.6 | Very low | 32.5 | Very low | 136 Ų | 136 | 121 Ų | 121 | 70% | 0.697 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -85.3 | -15.5 | -175.5 | -62.6 | 177 | 0 | 0 | 0 | 112.6 | Q1332 F1333 | I1330-Q1332 PolarHBondContact O-N 2.9Å; I1330-Q1332 VanDerWaalsContact O-N 3.09Å; I1330-F1333 PolarHBondContact O-N 3.13Å |
| 1331 | Q | 32.4 | Very low | 30.5 | Very low | 175 Ų | 175 | 123.7 Ų | 123.7 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -67.4 | -9.8 | -174.6 | -82.9 | -175.5 | -38.9 | 0 | 0 | 115.7 | ||
| 1332 | Q | 30.3 | Very low | 28.9 | Very low | 173 Ų | 173 | 128 Ų | 128 | 81% | 0.808 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -94.1 | -16.5 | 179.8 | -73.4 | -176 | -30.3 | 0 | 0 | 115 | I1330 | I1330-Q1332 PolarHBondContact O-N 2.9Å; I1330-Q1332 VanDerWaalsContact O-N 3.09Å |
| 1333 | F | 28.4 | Very low | 27.9 | Very low | 174 Ų | 174 | 130 Ų | 130 | 76% | 0.763 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -84.4 | -14.2 | -172.2 | -85.9 | -82.6 | 0 | 0 | 0 | 115.5 | I1330 A1335 | I1330-F1333 PolarHBondContact O-N 3.13Å; F1333-A1335 VanDerWaalsContact C-N 3.29Å; F1333-A1335 PolarHBondContact O-N 2.92Å |
| 1334 | A | 31.3 | Very low | 27.6 | Very low | 102 Ų | 102 | 135.4 Ų | 135.4 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | G | 310 helix | trans | -81.2 | -0.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1335 | A | 27.7 | Very low | 27.5 | Very low | 94 Ų | 94 | 133.2 Ų | 133.2 | 78% | 0.777 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -100.6 | 7.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | F1333 | F1333-A1335 VanDerWaalsContact C-N 3.29Å; F1333-A1335 PolarHBondContact O-N 2.92Å |
| 1336 | S | 25.8 | Very low | 27.5 | Very low | 89 Ų | 89 | 139.1 Ų | 139.1 | 62% | 0.622 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -154.9 | 167.2 | -179.2 | 68.1 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1337 | S | 27.1 | Very low | 27.4 | Very low | 101 Ų | 101 | 141.5 Ų | 141.5 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | 64.3 | 70.3 | 177.6 | 63.1 | 0 | 0 | 0 | 0 | 117 | T1339 | S1337-T1339 PolarHBondContact O-N 2.73Å; S1337-T1339 VanDerWaalsContact O-N 3.12Å | ||
| 1338 | L | 24.8 | Very low | 27.3 | Very low | 180 Ų | 180 | 145.7 Ų | 145.7 | 94% | 0.942 | 80% | 0.801 | S | S | * | * | trans | -65 | 94.7 | 144.1 | -146.4 | 89 | 0 | 0 | 0 | 108.3 | ||||
| 1339 | T | 27.9 | Very low | 27.3 | Very low | 127 Ų | 127 | 145.5 Ų | 145.5 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -177.1 | 144.7 | 158.4 | 24.6 | 0 | 0 | 0 | 0 | 113.1 | S1337 G1341 | S1337-T1339 PolarHBondContact O-N 2.73Å; S1337-T1339 VanDerWaalsContact O-N 3.12Å; T1339-G1341 PolarHBondContact O-N 2.72Å |
| 1340 | S | 25 | Very low | 27.1 | Very low | 132 Ų | 132 | 143.8 Ų | 143.8 | 92% | 0.923 | 80% | 0.804 | S | S | * | * | trans | -9.9 | 108.5 | 160.5 | -172.4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1341 | G | 24.9 | Very low | 26.8 | Very low | 64 Ų | 64 | 147.4 Ų | 147.4 | 66% | 0.66 | 81% | 0.81 | S | S | * | * | trans | -158.3 | 125.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | T1339 V1343 | T1339-G1341 PolarHBondContact O-N 2.72Å; G1341-V1343 PolarHBondContact O-N 2.7Å | ||
| 1342 | K | 23.5 | Very low | 26.9 | Very low | 212 Ų | 212 | 145.9 Ų | 145.9 | 92% | 0.922 | 81% | 0.808 | S | S | * | * | trans | -79.3 | 106.5 | 176.3 | -70.8 | 176.9 | 179.1 | 173.3 | 0 | 110.8 | ||||
| 1343 | V | 27.5 | Very low | 27.6 | Very low | 145 Ų | 145 | 146.1 Ų | 146.1 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 124.7 | 169.4 | -177.7 | 0 | 0 | 0 | 0 | 109.7 | G1341 | G1341-V1343 PolarHBondContact O-N 2.7Š|
| 1344 | Q | 27 | Very low | 28.7 | Very low | 181 Ų | 181 | 141.3 Ų | 141.3 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 147.3 | -178.4 | -73.8 | -174.3 | -18.5 | 0 | 0 | 113.2 | K1346 | Q1344-K1346 PolarHBondContact O-N 2.92Š|
| 1345 | N | 24.4 | Very low | 30.1 | Very low | 168 Ų | 168 | 137 Ų | 137 | 90% | 0.898 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 125.8 | 178.7 | -73.9 | -50.9 | 0 | 0 | 0 | 113.3 | ||
| 1346 | K | 23.6 | Very low | 32.2 | Very low | 199 Ų | 199 | 132.8 Ų | 132.8 | 87% | 0.865 | 71% | 0.713 | S | S | * | * | trans | -119.3 | 108.2 | 161.2 | -153.6 | 169.9 | -172.1 | 175.8 | 0 | 109 | Q1344 I1348 | Q1344-K1346 PolarHBondContact O-N 2.92Å; K1346-I1348 PolarHBondContact O-N 3.02Å | ||
| 1347 | K | 24.4 | Very low | 34.3 | Very low | 210 Ų | 210 | 130.4 Ų | 130.4 | 91% | 0.913 | 69% | 0.693 | S | S | * | * | trans | -63.2 | 107.4 | -176.5 | -73.4 | -178.2 | 175.7 | 179.6 | 0 | 110.8 | ||||
| 1348 | I | 26 | Very low | 36.6 | Very low | 150 Ų | 150 | 126.2 Ų | 126.2 | 77% | 0.769 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -83 | 127.1 | 162.3 | -64 | 176.5 | 0 | 0 | 0 | 107.4 | K1346 S1350 | K1346-I1348 PolarHBondContact O-N 3.02Å; I1348-S1350 PolarHBondContact O-N 3.05Å |
| 1349 | S | 26.7 | Very low | 39.3 | Very low | 102 Ų | 102 | 117.8 Ų | 117.8 | 71% | 0.713 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 126.6 | -171.5 | 50.7 | 0 | 0 | 0 | 0 | 112.6 | Y1351 | S1349-Y1351 PolarHBondContact O-N 2.87Š|
| 1350 | S | 26.2 | Very low | 41.9 | Very low | 106 Ų | 106 | 114.6 Ų | 114.6 | 74% | 0.741 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -54 | 120.3 | 178.3 | 51 | 0 | 0 | 0 | 0 | 114.6 | I1348 | I1348-S1350 PolarHBondContact O-N 3.05Š|
| 1351 | Y | 27.9 | Very low | 44.7 | Very low | 212 Ų | 212 | 108.7 Ų | 108.7 | 83% | 0.831 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -135.2 | 121.6 | 142.5 | -83.7 | -78.3 | 0 | 0 | 0 | 108.2 | S1349 R1353 | S1349-Y1351 PolarHBondContact O-N 2.87Å; Y1351-R1353 PolarHBondContact O-N 2.9Å |
| 1352 | N | 33.8 | Very low | 47.4 | Very low | 143 Ų | 143 | 106.3 Ų | 106.3 | 77% | 0.765 | 52% | 0.522 | S | S | * | . | trans | 26.9 | 79.3 | 171.1 | -62.5 | 13.7 | 0 | 0 | 0 | 117.1 | L1354 | N1352-L1354 HydrophobicContact CB-CD1 3.99Š| ||
| 1353 | R | 45 | Very low | 49.8 | Very low | 178 Ų | 178 | 97.9 Ų | 97.9 | 67% | 0.672 | 49% | 0.486 | S | S | * | . | trans | -82 | 128.5 | 153.1 | -63.7 | -170.9 | -174.4 | -172.3 | 0.2 | 108.6 | S1279 Y1351 | S1279-R1353 VanDerWaalsContact O-CD 3.24Å; S1279-R1353 WeakPolarHBondContact O-CD 3.01Å; S1279-R1353 PolarHBondContact O-NH1 3.46Å; S1279-R1353 VanDerWaalsContact O-NH1 3.15Å; Y1351-R1353 PolarHBondContact O-N 2.9Å | ||
| 1354 | L | 52.4 | Low | 51.9 | Low | 73 Ų | 73 | 95.4 Ų | 95.4 | 38% | 0.382 | 46% | 0.461 | S | S | . | . | trans | -122.5 | 129.7 | 172.8 | -72.4 | 116.6 | 0 | 0 | 0 | 107.1 | N1352 M1392 D1393 | N1352-L1354 HydrophobicContact CB-CD1 3.99Å; L1354-M1392 HydrophobicContact CB-CB 4.06Å; L1354-M1392 HydrophobicContact CD2-CB 3.84Å; L1354-D1393 HydrophobicContact CD1-CB 4.23Å; L1354-D1393 HydrophobicContact CD2-CB 4.09Å | ||
| 1355 | G | 61.2 | Low | 53.6 | Low | 10 Ų | 10 | 94.5 Ų | 94.5 | 10% | 0.103 | 45% | 0.45 | C | S | . | . | trans | -77 | 167.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | M1392 | G1355-M1392 WeakPolarHBondContact O-CB 3.02Å; G1355-M1392 WeakPolarHBondContact O-CG 3.46Å; G1355-M1392 PolarHBondContact O-N 2.87Å | ||
| 1356 | S | 70.8 | Confident | 55.1 | Low | 7 Ų | 7 | 92 Ų | 92 | 5% | 0.049 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 132.2 | 172.5 | 16.1 | 0 | 0 | 0 | 0 | 112 | L1264 S1276 Y1390 D1391 | L1264-S1356 WeakPolarHBondContact CB-O 3.26Å; S1276-S1356 WeakPolarHBondContact CB-OG 3.11Å; S1276-S1356 PolarHBondContact OG-N 2.72Å; S1276-S1356 PolarHBondContact OG-O 2.9Å; S1276-S1356 PolarHBondContact OG-OG 3.12Å; S1356-Y1390 CarbonylContact C-O 3.53Å; S1356-Y1390 WeakPolarHBondContact CA-O 3.39Å; S1356-Y1390 WeakPolarHBondContact CB-O 3.41Å; S1356-D1391 WeakPolarHBondContact CB-OD1 3.46Å |
| 1357 | I | 70.3 | Confident | 56 | Low | 38 Ų | 38 | 89.7 Ų | 89.7 | 20% | 0.195 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | -31.9 | -177.1 | -40.7 | 177.2 | 0 | 0 | 0 | 111.1 | C1265 Y1390 M1392 L1422 | C1265-I1357 WeakPolarHBondContact CB-O 3.48Å; I1357-Y1390 HydrophobicContact CD1-CD1 4.2Å; I1357-Y1390 HydrophobicContact CD1-CE1 4.43Å; I1357-Y1390 PolarHBondContact N-O 3.13Å; I1357-M1392 HydrophobicContact CD1-CG 4.13Å; I1357-M1392 HydrophobicContact CD1-SD 3.45Å; I1357-M1392 WeakPolarHBondContact CD1-SD 3.45Å; I1357-M1392 HydrophobicContact CG1-CG 3.77Å; I1357-M1392 HydrophobicContact CG1-SD 3.54Å; I1357-M1392 VanDerWaalsContact CG1-SD 3.54Å; I1357-L1422 HydrophobicContact CB-CD1 4.13Å; I1357-L1422 HydrophobicContact CD1-CD1 4.07Å; I1357-L1422 HydrophobicContact CG2-CD1 3.92Å |
| 1358 | N | 76 | Confident | 57 | Low | 13 Ų | 13 | 88.6 Ų | 88.6 | 7% | 0.07 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 147 | -174 | -151.4 | -73.5 | 0 | 0 | 0 | 111.4 | C1265 T1389 Y1390 S1420 L1422 L1423 | C1265-N1358 VanDerWaalsContact SG-CA 3.6Å; N1358-T1389 CarbonylContact O-C 3.58Å; N1358-T1389 WeakPolarHBondContact O-CA 3.48Å; N1358-Y1390 PolarHBondContact O-N 2.79Å; N1358-S1420 PolarHBondContact ND2-O 3.15Å; N1358-L1422 HydrophobicContact CB-CB 4.22Å; N1358-L1423 HydrophobicContact CB-CD1 4.21Å; N1358-L1423 HydrophobicContact CB-CG 4.24Å |
| 1359 | L | 80.3 | Confident | 57.6 | Low | 3 Ų | 3 | 87 Ų | 87 | 2% | 0.016 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 136.3 | -176.7 | -58 | 177.3 | 0 | 0 | 0 | 109.9 | C1265 N1267 L1282 L1387 V1388 T1389 | C1265-L1359 HydrophobicContact CB-CD1 4.01Å; C1265-L1359 HydrophobicContact CB-CG 3.84Å; C1265-L1359 PolarHBondContact SG-N 3.48Å; N1267-L1359 HydrophobicContact CB-CB 4.02Å; N1267-L1359 WeakPolarHBondContact CB-O 3.23Å; L1282-L1359 HydrophobicContact CD1-CD1 4.41Å; L1282-L1359 HydrophobicContact CD1-CD2 3.65Å; L1359-L1387 HydrophobicContact CB-CD1 4.27Å; L1359-L1387 HydrophobicContact CD2-CD1 4.36Å; L1359-V1388 CarbonylContact C-O 3.53Å; L1359-V1388 WeakPolarHBondContact CA-O 3.27Å; L1359-T1389 HydrophobicContact CD2-CG2 3.3Å |
| 1360 | R | 83.3 | Confident | 57.9 | Low | 60 Ų | 60 | 87.6 Ų | 87.6 | 23% | 0.226 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 132.8 | 160.7 | -76.9 | -155.7 | -176 | -138.3 | -4.2 | 111.5 | F1362 V1388 L1423 S1425 D1493 | R1360-F1362 HydrophobicContact CB-CE2 3.73Å; R1360-F1362 HydrophobicContact CB-CZ 4.09Å; R1360-V1388 PolarHBondContact N-O 3.07Å; R1360-V1388 PolarHBondContact O-N 3.08Å; R1360-L1423 PolarHBondContact NE-O 3.23Å; R1360-S1425 WeakPolarHBondContact CD-OG 3.25Å; R1360-S1425 PolarHBondContact NH1-OG 2.92Å; R1360-D1493 IonicContact NH2-OD2 3.32Å |
| 1361 | L | 83 | Confident | 58.2 | Low | 8 Ų | 8 | 90.1 Ų | 90.1 | 4% | 0.042 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 128.4 | 171.2 | -80.4 | 170 | 0 | 0 | 0 | 111.1 | N1267 N1269 A1272 R1386 L1387 L1401 | N1267-L1361 WeakPolarHBondContact O-CD1 3.22Å; N1267-L1361 PolarHBondContact OD1-N 3.03Å; N1269-L1361 HydrophobicContact CB-CB 3.71Å; N1269-L1361 HydrophobicContact CB-CD1 4.4Å; N1269-L1361 PolarHBondContact ND2-O 2.83Å; A1272-L1361 HydrophobicContact CB-CD1 3.88Å; A1272-L1361 WeakPolarHBondContact O-CD1 3.18Å; L1361-R1386 WeakPolarHBondContact CA-O 3.31Å; L1361-L1387 HydrophobicContact CD2-CB 3.86Å; L1361-L1387 HydrophobicContact CD2-CD1 3.89Å; L1361-L1387 HydrophobicContact CD2-CG 4.41Å; L1361-L1387 HydrophobicContact CG-CD1 3.99Å; L1361-L1401 HydrophobicContact CD2-CD1 3.88Å |
| 1362 | F | 81.5 | Confident | 58.4 | Low | 15 Ų | 15 | 85.7 Ų | 85.7 | 7% | 0.066 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 135.3 | 177.4 | -64.8 | -91.8 | 0 | 0 | 0 | 110.6 | R1360 Y1385 R1386 V1388 G1428 V1430 P1443 W1444 | R1360-F1362 HydrophobicContact CB-CE2 3.73Å; R1360-F1362 HydrophobicContact CB-CZ 4.09Å; F1362-Y1385 CarbonylContact O-C 3.52Å; F1362-Y1385 VanDerWaalsContact O-CA 3.29Å; F1362-Y1385 WeakPolarHBondContact O-CA 3.46Å; F1362-R1386 PolarHBondContact N-O 2.57Å; F1362-R1386 PolarHBondContact O-N 2.86Å; F1362-V1388 HydrophobicContact CD2-CG2 3.88Å; F1362-V1388 HydrophobicContact CE2-CB 4.18Å; F1362-V1388 HydrophobicContact CE2-CG2 3.69Å; F1362-G1428 WeakPolarHBondContact CE1-O 3.49Å; F1362-V1430 HydrophobicContact CE2-CG2 3.68Å; F1362-V1430 HydrophobicContact CZ-CG2 3.56Å; F1362-P1443 HydrophobicContact CB-CG 4.16Å; F1362-P1443 HydrophobicContact CD1-CG 3.79Å; F1362-P1443 HydrophobicContact CD2-CB 4.05Å; F1362-P1443 HydrophobicContact CD2-CG 4.04Å; F1362-P1443 HydrophobicContact CE1-CG 4.17Å; F1362-P1443 HydrophobicContact CE2-CB 4.46Å; F1362-P1443 HydrophobicContact CE2-CG 4.4Å; F1362-P1443 HydrophobicContact CG-CB 4.16Å; F1362-P1443 HydrophobicContact CG-CG 3.71Å; F1362-P1443 HydrophobicContact CZ-CG 4.46Å; F1362-W1444 HydrophobicContact CB-CZ2 4.33Å |
| 1363 | M | 75.5 | Confident | 58.3 | Low | 35 Ų | 35 | 88.4 Ų | 88.4 | 17% | 0.172 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 142.2 | 174.1 | -177 | -178.2 | -61.3 | 0 | 0 | 111.2 | R1270 R1365 N1384 Y1385 W1444 | R1270-M1363 HydrophobicContact CB-CE 4.21Å; R1270-M1363 HydrophobicContact CG-CE 3.8Å; M1363-R1365 PolarHBondContact O-N 3.11Å; M1363-N1384 WeakPolarHBondContact CA-O 3.29Å; M1363-Y1385 HydrophobicContact CB-CD1 4.39Å; M1363-Y1385 HydrophobicContact CB-CE1 4.38Å; M1363-Y1385 HydrophobicContact CE-CD1 4.5Å; M1363-Y1385 HydrophobicContact CE-CE1 3.52Å; M1363-Y1385 WeakPolarHBondContact CE-OH 3.42Å; M1363-W1444 VanDerWaalsContact C-CZ2 3.48Å |
| 1364 | R | 71.2 | Confident | 57.7 | Low | 92 Ų | 92 | 88.9 Ų | 88.9 | 35% | 0.347 | 42% | 0.419 | S | S | . | . | trans | -79.9 | 113.3 | 175.6 | -166 | 170.8 | -175.5 | 161.5 | 4.7 | 111.3 | D1366 N1384 W1444 | R1364-D1366 IonicContact CZ-OD2 2.74Å; R1364-D1366 IonicContact NE-OD2 2.84Å; R1364-D1366 PolarHBondContact NE-OD2 2.84Å; R1364-D1366 IonicContact NH2-OD2 3.4Å; R1364-D1366 PolarHBondContact NH2-OD2 2.81Å; R1364-D1366 VanDerWaalsContact NH2-OD2 3.13Å; R1364-N1384 PolarHBondContact N-O 2.84Å; R1364-W1444 HydrophobicContact CB-CE3 4.43Å; R1364-W1444 HydrophobicContact CB-CH2 3.66Å; R1364-W1444 HydrophobicContact CB-CZ2 3.72Å; R1364-W1444 HydrophobicContact CB-CZ3 4.01Å; R1364-W1444 HydrophobicContact CG-CD2 4.46Å; R1364-W1444 HydrophobicContact CG-CE3 4.42Å; R1364-W1444 HydrophobicContact CG-CH2 4.49Å; R1364-W1444 HydrophobicContact CG-CZ3 4.42Å; R1364-W1444 VanDerWaalsContact N-CZ2 3.29Å | ||
| 1365 | R | 62.8 | Low | 56.7 | Low | 162 Ų | 162 | 89.5 Ų | 89.5 | 61% | 0.611 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -72.3 | -35.2 | -178.1 | -66.1 | 178.5 | 176.9 | 165.2 | -2.6 | 112.8 | M1363 R1367 | M1363-R1365 PolarHBondContact O-N 3.11Å; R1365-R1367 VanDerWaalsContact C-N 3.26Å; R1365-R1367 PolarHBondContact O-N 2.76Å |
| 1366 | D | 54.6 | Low | 55.2 | Low | 116 Ų | 116 | 94.6 Ų | 94.6 | 62% | 0.62 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -64.7 | -11.7 | -165.2 | -15.6 | -40.1 | 0 | 0 | 0 | 117 | R1364 | R1364-D1366 IonicContact CZ-OD2 2.74Å; R1364-D1366 IonicContact NE-OD2 2.84Å; R1364-D1366 PolarHBondContact NE-OD2 2.84Å; R1364-D1366 IonicContact NH2-OD2 3.4Å; R1364-D1366 PolarHBondContact NH2-OD2 2.81Å; R1364-D1366 VanDerWaalsContact NH2-OD2 3.13Å |
| 1367 | R | 43.3 | Very low | 53.5 | Low | 150 Ų | 150 | 99.6 Ų | 99.6 | 57% | 0.566 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -97.6 | -3.9 | -171.7 | -81.7 | -169.5 | 173.5 | 175.1 | -2.1 | 115.7 | R1365 S1369 | R1365-R1367 VanDerWaalsContact C-N 3.26Å; R1365-R1367 PolarHBondContact O-N 2.76Å; R1367-S1369 VanDerWaalsContact C-N 3.29Å; R1367-S1369 PolarHBondContact O-N 3.18Å |
| 1368 | Y | 44.8 | Very low | 52.4 | Low | 188 Ų | 188 | 100.3 Ų | 100.3 | 74% | 0.737 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | 6.2 | -167.4 | -123 | -86.2 | 0 | 0 | 0 | 116 | ||
| 1369 | S | 38.2 | Very low | 50.9 | Low | 116 Ų | 116 | 105.8 Ų | 105.8 | 81% | 0.811 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | -4.6 | -168.4 | -166.3 | 0 | 0 | 0 | 0 | 116 | R1367 | R1367-S1369 VanDerWaalsContact C-N 3.29Å; R1367-S1369 PolarHBondContact O-N 3.18Å |
| 1370 | D | 33.6 | Very low | 49.6 | Very low | 114 Ų | 114 | 108.9 Ų | 108.9 | 61% | 0.61 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -146.9 | 130.7 | -170 | -146.9 | -7.4 | 0 | 0 | 0 | 115.1 | ||
| 1371 | K | 31.9 | Very low | 48.5 | Very low | 160 Ų | 160 | 107.4 Ų | 107.4 | 70% | 0.696 | 55% | 0.545 | S | S | * | . | trans | 58.4 | 95.3 | 164.6 | -71.5 | 140.4 | -165.3 | 141.2 | 0 | 120.6 | ||||
| 1372 | T | 32.7 | Very low | 47.8 | Very low | 118 Ų | 118 | 107.2 Ų | 107.2 | 72% | 0.724 | 54% | 0.544 | S | S | * | . | 58.9 | 107.4 | 128.1 | 52.6 | 0 | 0 | 0 | 0 | 120.8 | K1374 | T1372-K1374 PolarHBondContact O-N 3.14Š| |||
| 1373 | Q | 31.8 | Very low | 47.2 | Very low | 200 Ų | 200 | 107.4 Ų | 107.4 | 94% | 0.935 | 55% | 0.548 | S | S | * | . | trans | -3 | 90 | 142.4 | -64.8 | 170.4 | -33.3 | 0 | 0 | 116.8 | ||||
| 1374 | K | 32.1 | Very low | 47.1 | Very low | 188 Ų | 188 | 108.3 Ų | 108.3 | 82% | 0.817 | 55% | 0.554 | S | S | * | * | trans | -138.8 | 122 | 154.6 | -73.9 | -167.5 | 175.8 | -180 | 0 | 110 | T1372 | T1372-K1374 PolarHBondContact O-N 3.14Š| ||
| 1375 | S | 32.5 | Very low | 47.4 | Very low | 87 Ų | 87 | 105.3 Ų | 105.3 | 61% | 0.608 | 54% | 0.542 | S | S | * | . | trans | 26.4 | 110.6 | 163.8 | 55.8 | 0 | 0 | 0 | 0 | 117.4 | N1377 | S1375-N1377 PolarHBondContact O-N 2.8Š| ||
| 1376 | C | 29.4 | Very low | 48.4 | Very low | 116 Ų | 116 | 99.3 Ų | 99.3 | 78% | 0.784 | 52% | 0.52 | S | S | * | . | trans | -67.8 | 75.1 | 163.3 | -75 | 0 | 0 | 0 | 0 | 111.2 | S1378 | C1376-S1378 PolarHBondContact O-N 2.93Å; C1376-S1378 VanDerWaalsContact O-N 3.12Å | ||
| 1377 | N | 34.3 | Very low | 49.9 | Very low | 112 Ų | 112 | 93.8 Ų | 93.8 | 60% | 0.599 | 49% | 0.49 | S | S | * | . | trans | -62.5 | 111.2 | 161.9 | -67.3 | -7.5 | 0 | 0 | 0 | 106.4 | S1375 L1379 S1380 | S1375-N1377 PolarHBondContact O-N 2.8Å; N1377-L1379 PolarHBondContact O-N 3.44Å; N1377-S1380 PolarHBondContact O-N 3.09Å; N1377-S1380 PolarHBondContact O-OG 2.71Å; N1377-S1380 VanDerWaalsContact O-OG 3.08Å | ||
| 1378 | S | 46.6 | Very low | 51.9 | Low | 53 Ų | 53 | 86.6 Ų | 86.6 | 37% | 0.371 | 46% | 0.463 | S | S | . | . | G | 310 helix | trans | -41.1 | -43.3 | -165.4 | 51.4 | 0 | 0 | 0 | 0 | 114.6 | C1376 S1380 T1381 | C1376-S1378 PolarHBondContact O-N 2.93Å; C1376-S1378 VanDerWaalsContact O-N 3.12Å; S1378-S1380 PolarHBondContact O-N 2.88Å; S1378-S1380 VanDerWaalsContact O-N 3.14Å; S1378-T1381 PolarHBondContact O-N 3.02Å; S1378-T1381 PolarHBondContact O-OG1 2.77Å |
| 1379 | L | 44.4 | Very low | 53.8 | Low | 129 Ų | 129 | 77.7 Ų | 77.7 | 68% | 0.675 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -56.2 | -24.9 | -179.6 | -141.7 | 76.7 | 0 | 0 | 0 | 115.6 | N1377 | N1377-L1379 PolarHBondContact O-N 3.44Š|
| 1380 | S | 54 | Low | 55.7 | Low | 67 Ų | 67 | 72.6 Ų | 72.6 | 47% | 0.469 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -81.1 | -21.5 | -179 | 69.7 | 0 | 0 | 0 | 0 | 113.7 | N1377 S1378 A1383 | N1377-S1380 PolarHBondContact O-N 3.09Å; N1377-S1380 PolarHBondContact O-OG 2.71Å; N1377-S1380 VanDerWaalsContact O-OG 3.08Å; S1378-S1380 PolarHBondContact O-N 2.88Å; S1378-S1380 VanDerWaalsContact O-N 3.14Å; S1380-A1383 WeakPolarHBondContact O-CB 3.46Å; S1380-A1383 PolarHBondContact O-N 3.28Å |
| 1381 | T | 61.1 | Low | 57.7 | Low | 30 Ų | 30 | 68.4 Ų | 68.4 | 18% | 0.184 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -68.8 | -39.3 | -174.3 | 62.4 | 0 | 0 | 0 | 0 | 112.5 | S1378 A1383 N1384 Y1385 | S1378-T1381 PolarHBondContact O-N 3.02Å; S1378-T1381 PolarHBondContact O-OG1 2.77Å; T1381-A1383 PolarHBondContact O-N 2.89Å; T1381-N1384 PolarHBondContact O-N 3.04Å; T1381-Y1385 WeakPolarHBondContact O-CD2 3.37Å |
| 1382 | L | 67.1 | Low | 59.4 | Low | 3 Ų | 3 | 65.1 Ų | 65.1 | 2% | 0.016 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -61.4 | -26.7 | 179.5 | -67.7 | 168.5 | 0 | 0 | 0 | 113.1 | C1286 D1316 N1384 Y1385 L1401 | C1286-L1382 VanDerWaalsContact SG-CD2 3.55Å; D1316-L1382 WeakPolarHBondContact OD2-CD1 3.42Å; L1382-N1384 PolarHBondContact O-N 3.28Å; L1382-N1384 VanDerWaalsContact O-N 3.14Å; L1382-Y1385 PolarHBondContact O-N 3.29Å; L1382-Y1385 VanDerWaalsContact O-N 3.13Å; L1382-L1401 HydrophobicContact CB-CB 4.2Å; L1382-L1401 HydrophobicContact CD2-CB 4.21Å |
| 1383 | A | 69.2 | Low | 61 | Low | 19 Ų | 19 | 63 Ų | 63 | 16% | 0.157 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -66.2 | -13 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | S1380 T1381 Q1402 | S1380-A1383 WeakPolarHBondContact O-CB 3.46Å; S1380-A1383 PolarHBondContact O-N 3.28Å; T1381-A1383 PolarHBondContact O-N 2.89Å; A1383-Q1402 HydrophobicContact CB-CB 4.18Å; A1383-Q1402 HydrophobicContact CB-CG 4.14Å |
| 1384 | N | 74.1 | Confident | 62.7 | Low | 54 Ų | 54 | 53.5 Ų | 53.5 | 29% | 0.289 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -94.1 | -3 | 177.2 | -65.9 | -28.4 | 0 | 0 | 0 | 113.3 | M1363 R1364 T1381 L1382 | M1363-N1384 WeakPolarHBondContact CA-O 3.29Å; R1364-N1384 PolarHBondContact N-O 2.84Å; T1381-N1384 PolarHBondContact O-N 3.04Å; L1382-N1384 PolarHBondContact O-N 3.28Å; L1382-N1384 VanDerWaalsContact O-N 3.14Å |
| 1385 | Y | 77.3 | Confident | 64.6 | Low | 29 Ų | 29 | 44.9 Ų | 44.9 | 11% | 0.114 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 148.6 | -175.1 | -64.7 | -88.4 | 0 | 0 | 0 | 112.7 | A1272 F1362 M1363 T1381 L1382 | A1272-Y1385 HydrophobicContact CB-CD1 3.99Å; A1272-Y1385 HydrophobicContact CB-CD2 4.42Å; A1272-Y1385 HydrophobicContact CB-CE1 3.77Å; A1272-Y1385 HydrophobicContact CB-CE2 4.24Å; A1272-Y1385 HydrophobicContact CB-CG 4.3Å; F1362-Y1385 CarbonylContact O-C 3.52Å; F1362-Y1385 VanDerWaalsContact O-CA 3.29Å; F1362-Y1385 WeakPolarHBondContact O-CA 3.46Å; M1363-Y1385 HydrophobicContact CB-CD1 4.39Å; M1363-Y1385 HydrophobicContact CB-CE1 4.38Å; M1363-Y1385 HydrophobicContact CE-CD1 4.5Å; M1363-Y1385 HydrophobicContact CE-CE1 3.52Å; M1363-Y1385 WeakPolarHBondContact CE-OH 3.42Å; T1381-Y1385 WeakPolarHBondContact O-CD2 3.37Å; L1382-Y1385 PolarHBondContact O-N 3.29Å; L1382-Y1385 VanDerWaalsContact O-N 3.13Å |
| 1386 | R | 84.1 | Confident | 66.8 | Low | 36 Ų | 36 | 40.8 Ų | 40.8 | 14% | 0.136 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 144 | 164.8 | -78.4 | -173.4 | 172.4 | 180 | 1.6 | 110.9 | L1361 F1362 D1400 I1407 P1443 W1444 | L1361-R1386 WeakPolarHBondContact CA-O 3.31Å; F1362-R1386 PolarHBondContact N-O 2.57Å; F1362-R1386 PolarHBondContact O-N 2.86Å; R1386-D1400 IonicContact CZ-OD2 3.91Å; R1386-D1400 IonicContact NE-OD2 3.45Å; R1386-D1400 PolarHBondContact NE-OD2 3.36Å; R1386-D1400 IonicContact NH2-OD2 3.47Å; R1386-D1400 PolarHBondContact NH2-OD2 3.42Å; R1386-I1407 VanDerWaalsContact NE-CD1 3.3Å; R1386-P1443 WeakPolarHBondContact CD-O 3.45Å; R1386-P1443 PolarHBondContact NH1-O 3.46Å; R1386-W1444 HydrophobicContact CB-CH2 4.13Å; R1386-W1444 HydrophobicContact CB-CZ2 4.4Å; R1386-W1444 HydrophobicContact CB-CZ3 4.46Å; R1386-W1444 HydrophobicContact CG-CE3 4.25Å; R1386-W1444 HydrophobicContact CG-CH2 3.79Å; R1386-W1444 HydrophobicContact CG-CZ2 4.47Å; R1386-W1444 HydrophobicContact CG-CZ3 3.69Å; R1386-W1444 VanDerWaalsContact NH1-C 3.31Å; R1386-W1444 PolarHBondContact NH1-O 2.89Å |
| 1387 | L | 85.4 | Confident | 69.3 | Low | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 136.7 | 178.7 | 176.1 | 63.4 | 0 | 0 | 0 | 109.5 | L1282 V1284 L1320 L1359 L1361 T1389 W1399 L1401 | L1282-L1387 HydrophobicContact CD1-CD2 4.1Å; L1282-L1387 HydrophobicContact CD2-CD2 3.85Å; L1282-L1387 HydrophobicContact CG-CD2 4.08Å; V1284-L1387 HydrophobicContact CG2-CD2 3.64Å; L1320-L1387 HydrophobicContact CD1-CD2 3.79Å; L1359-L1387 HydrophobicContact CB-CD1 4.27Å; L1359-L1387 HydrophobicContact CD2-CD1 4.36Å; L1361-L1387 HydrophobicContact CD2-CB 3.86Å; L1361-L1387 HydrophobicContact CD2-CD1 3.89Å; L1361-L1387 HydrophobicContact CD2-CG 4.41Å; L1361-L1387 HydrophobicContact CG-CD1 3.99Å; L1387-T1389 HydrophobicContact CD1-CG2 4.47Å; L1387-T1389 HydrophobicContact CD2-CG2 4.17Å; L1387-T1389 HydrophobicContact CG-CG2 3.97Å; L1387-W1399 HydrophobicContact CB-CB 4.31Å; L1387-W1399 PolarHBondContact N-O 3.44Å; L1387-W1399 PolarHBondContact O-N 2.98Å; L1387-L1401 HydrophobicContact CB-CD1 4.24Å; L1387-L1401 HydrophobicContact CB-CD2 4.03Å; L1387-L1401 HydrophobicContact CB-CG 4.38Å |
| 1388 | V | 86 | Confident | 71.8 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 128.3 | 173.9 | -173.2 | 0 | 0 | 0 | 0 | 108.9 | L1359 R1360 F1362 V1396 V1397 I1398 L1423 V1430 P1443 | L1359-V1388 CarbonylContact C-O 3.53Å; L1359-V1388 WeakPolarHBondContact CA-O 3.27Å; R1360-V1388 PolarHBondContact N-O 3.07Å; R1360-V1388 PolarHBondContact O-N 3.08Å; F1362-V1388 HydrophobicContact CD2-CG2 3.88Å; F1362-V1388 HydrophobicContact CE2-CB 4.18Å; F1362-V1388 HydrophobicContact CE2-CG2 3.69Å; V1388-V1396 HydrophobicContact CG1-CG1 3.79Å; V1388-V1397 CarbonylContact C-O 3.54Å; V1388-V1397 VanDerWaalsContact CA-O 3.31Å; V1388-V1397 WeakPolarHBondContact CA-O 3.4Å; V1388-I1398 HydrophobicContact CG1-CG1 4.26Å; V1388-I1398 HydrophobicContact CG2-CG1 4.1Å; V1388-I1398 HydrophobicContact CG2-CG2 4.4Å; V1388-L1423 HydrophobicContact CG1-CD1 4.2Å; V1388-V1430 HydrophobicContact CB-CG2 4.33Å; V1388-V1430 HydrophobicContact CG1-CG1 4.3Å; V1388-V1430 HydrophobicContact CG1-CG2 4.12Å; V1388-V1430 HydrophobicContact CG2-CG2 3.94Å; V1388-P1443 HydrophobicContact CG2-CB 4.19Å |
| 1389 | T | 84.4 | Confident | 73.6 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 148.8 | -177.2 | 71.1 | 0 | 0 | 0 | 0 | 111.3 | L1282 N1358 L1359 L1387 D1391 V1396 V1397 W1399 | L1282-T1389 HydrophobicContact CD1-CG2 3.97Å; L1282-T1389 HydrophobicContact CD2-CG2 3.65Å; L1282-T1389 HydrophobicContact CG-CG2 4.48Å; N1358-T1389 CarbonylContact O-C 3.58Å; N1358-T1389 WeakPolarHBondContact O-CA 3.48Å; L1359-T1389 HydrophobicContact CD2-CG2 3.3Å; L1387-T1389 HydrophobicContact CD1-CG2 4.47Å; L1387-T1389 HydrophobicContact CD2-CG2 4.17Å; L1387-T1389 HydrophobicContact CG-CG2 3.97Å; T1389-D1391 WeakPolarHBondContact CB-OD1 3.34Å; T1389-D1391 PolarHBondContact OG1-OD1 2.91Å; T1389-V1396 CarbonylContact O-C 3.59Å; T1389-V1396 WeakPolarHBondContact O-CA 3.21Å; T1389-V1397 PolarHBondContact N-O 3.14Å; T1389-V1397 PolarHBondContact O-N 3.2Å; T1389-W1399 PolarHBondContact OG1-NE1 2.8Å |
| 1390 | Y | 79 | Confident | 75.4 | Confident | 10 Ų | 10 | 22.9 Ų | 22.9 | 4% | 0.039 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 109.1 | 167.5 | -166.2 | -73.5 | 0 | 0 | 0 | 108.1 | S1356 I1357 N1358 V1396 L1414 L1422 L1423 | S1356-Y1390 CarbonylContact C-O 3.53Å; S1356-Y1390 WeakPolarHBondContact CA-O 3.39Å; S1356-Y1390 WeakPolarHBondContact CB-O 3.41Å; I1357-Y1390 HydrophobicContact CD1-CD1 4.2Å; I1357-Y1390 HydrophobicContact CD1-CE1 4.43Å; I1357-Y1390 PolarHBondContact N-O 3.13Å; N1358-Y1390 PolarHBondContact O-N 2.79Å; Y1390-V1396 HydrophobicContact CD2-CG2 3.64Å; Y1390-V1396 HydrophobicContact CE2-CG2 3.92Å; Y1390-L1414 WeakPolarHBondContact OH-CB 3.48Å; Y1390-L1414 PolarHBondContact OH-O 3.03Å; Y1390-L1422 HydrophobicContact CD1-CD1 4.17Å; Y1390-L1422 HydrophobicContact CD2-CB 4.32Å; Y1390-L1422 HydrophobicContact CE1-CD1 4.35Å; Y1390-L1422 HydrophobicContact CG-CB 4.4Å; Y1390-L1423 HydrophobicContact CD2-CD2 4.2Å; Y1390-L1423 HydrophobicContact CD2-CG 4.44Å |
| 1391 | D | 74.2 | Confident | 76.6 | Confident | 25 Ų | 25 | 19.7 Ų | 19.7 | 13% | 0.134 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 149.4 | -174.3 | -67.1 | 13.6 | 0 | 0 | 0 | 110.5 | S1356 T1389 D1393 G1394 S1395 | S1356-D1391 WeakPolarHBondContact CB-OD1 3.46Å; T1389-D1391 WeakPolarHBondContact CB-OD1 3.34Å; T1389-D1391 PolarHBondContact OG1-OD1 2.91Å; D1391-D1393 PolarHBondContact O-N 3.46Å; D1391-G1394 PolarHBondContact O-N 3.01Å; D1391-S1395 PolarHBondContact N-O 3.38Å |
| 1392 | M | 68.6 | Low | 77.3 | Confident | 92 Ų | 92 | 23.1 Ų | 23.1 | 45% | 0.453 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -5.2 | -175.6 | -78.8 | -81.9 | -57.4 | 0 | 0 | 114.8 | L1354 G1355 I1357 G1394 | L1354-M1392 HydrophobicContact CB-CB 4.06Å; L1354-M1392 HydrophobicContact CD2-CB 3.84Å; G1355-M1392 WeakPolarHBondContact O-CB 3.02Å; G1355-M1392 WeakPolarHBondContact O-CG 3.46Å; G1355-M1392 PolarHBondContact O-N 2.87Å; I1357-M1392 HydrophobicContact CD1-CG 4.13Å; I1357-M1392 HydrophobicContact CD1-SD 3.45Å; I1357-M1392 WeakPolarHBondContact CD1-SD 3.45Å; I1357-M1392 HydrophobicContact CG1-CG 3.77Å; I1357-M1392 HydrophobicContact CG1-SD 3.54Å; I1357-M1392 VanDerWaalsContact CG1-SD 3.54Å; M1392-G1394 VanDerWaalsContact C-N 3.3Å |
| 1393 | D | 65.9 | Low | 77.6 | Confident | 73 Ų | 73 | 29.1 Ų | 29.1 | 39% | 0.39 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 0.5 | 171 | 78.5 | -32.2 | 0 | 0 | 0 | 113.4 | L1354 D1391 S1395 | L1354-D1393 HydrophobicContact CD1-CB 4.23Å; L1354-D1393 HydrophobicContact CD2-CB 4.09Å; D1391-D1393 PolarHBondContact O-N 3.46Å; D1393-S1395 WeakPolarHBondContact OD1-CB 3.47Å; D1393-S1395 PolarHBondContact OD1-N 2.88Å; D1393-S1395 PolarHBondContact OD1-OG 2.72Å |
| 1394 | G | 67.4 | Low | 77.9 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 87.3 | 7.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | D1391 M1392 A1412 L1414 | D1391-G1394 PolarHBondContact O-N 3.01Å; M1392-G1394 VanDerWaalsContact C-N 3.3Å; G1394-A1412 CarbonylContact C-O 3.59Å; G1394-A1412 WeakPolarHBondContact CA-O 3.29Å; G1394-A1412 CarbonylContact O-C 3.43Å; G1394-A1412 WeakPolarHBondContact O-CA 3.38Å; G1394-A1412 VanDerWaalsContact O-CB 3.27Å; G1394-A1412 WeakPolarHBondContact O-CB 3.18Å; G1394-A1412 PolarHBondContact O-N 2.81Å; G1394-L1414 VanDerWaalsContact CA-O 3.27Å; G1394-L1414 WeakPolarHBondContact CA-O 3.49Å |
| 1395 | S | 71.8 | Confident | 77.9 | Confident | 8 Ų | 8 | 31.9 Ų | 31.9 | 6% | 0.056 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 135 | -178.5 | 74 | 0 | 0 | 0 | 0 | 113.9 | D1391 D1393 S1409 F1410 | D1391-S1395 PolarHBondContact N-O 3.38Å; D1393-S1395 WeakPolarHBondContact OD1-CB 3.47Å; D1393-S1395 PolarHBondContact OD1-N 2.88Å; D1393-S1395 PolarHBondContact OD1-OG 2.72Å; S1395-S1409 WeakPolarHBondContact CB-OG 3.19Å; S1395-F1410 CarbonylContact C-O 3.5Å; S1395-F1410 VanDerWaalsContact CA-O 3.26Å; S1395-F1410 WeakPolarHBondContact CA-O 3.46Å |
| 1396 | V | 79 | Confident | 78.1 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 115.8 | 171.6 | 178.3 | 0 | 0 | 0 | 0 | 108.4 | V1388 T1389 Y1390 S1409 F1410 L1423 F1432 | V1388-V1396 HydrophobicContact CG1-CG1 3.79Å; T1389-V1396 CarbonylContact O-C 3.59Å; T1389-V1396 WeakPolarHBondContact O-CA 3.21Å; Y1390-V1396 HydrophobicContact CD2-CG2 3.64Å; Y1390-V1396 HydrophobicContact CE2-CG2 3.92Å; V1396-S1409 CarbonylContact O-C 3.54Å; V1396-S1409 WeakPolarHBondContact O-CA 3.42Å; V1396-F1410 HydrophobicContact CB-CB 4.47Å; V1396-F1410 PolarHBondContact N-O 3.36Å; V1396-F1410 PolarHBondContact O-N 3.32Å; V1396-L1423 HydrophobicContact CG1-CD2 3.91Å; V1396-L1423 HydrophobicContact CG2-CD2 4.04Å; V1396-F1432 HydrophobicContact CB-CD1 4.28Å; V1396-F1432 HydrophobicContact CB-CE1 4.14Å; V1396-F1432 HydrophobicContact CB-CZ 4.3Å; V1396-F1432 HydrophobicContact CG1-CD1 4.1Å; V1396-F1432 HydrophobicContact CG1-CE1 4.07Å; V1396-F1432 HydrophobicContact CG2-CB 4.19Å; V1396-F1432 HydrophobicContact CG2-CD1 3.94Å; V1396-F1432 HydrophobicContact CG2-CD2 3.9Å; V1396-F1432 HydrophobicContact CG2-CE1 4.21Å; V1396-F1432 HydrophobicContact CG2-CE2 4.18Å; V1396-F1432 HydrophobicContact CG2-CG 3.77Å; V1396-F1432 HydrophobicContact CG2-CZ 4.32Å |
| 1397 | V | 82.5 | Confident | 77.9 | Confident | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.018 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 126.6 | -170.9 | -170.4 | 0 | 0 | 0 | 0 | 110.6 | V1388 T1389 W1399 I1406 | V1388-V1397 CarbonylContact C-O 3.54Å; V1388-V1397 VanDerWaalsContact CA-O 3.31Å; V1388-V1397 WeakPolarHBondContact CA-O 3.4Å; T1389-V1397 PolarHBondContact N-O 3.14Å; T1389-V1397 PolarHBondContact O-N 3.2Å; V1397-W1399 HydrophobicContact CG1-CD2 4.4Å; V1397-W1399 HydrophobicContact CG1-CZ2 4.12Å; V1397-I1406 HydrophobicContact CG1-CB 4.21Å; V1397-I1406 HydrophobicContact CG1-CD1 3.55Å; V1397-I1406 HydrophobicContact CG1-CG1 3.59Å; V1397-I1406 HydrophobicContact CG1-CG2 3.64Å |
| 1398 | I | 86.4 | Confident | 77.8 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 124.2 | 174.8 | -55.3 | -179.6 | 0 | 0 | 0 | 109 | V1388 I1407 R1408 F1410 V1441 A1446 | V1388-I1398 HydrophobicContact CG1-CG1 4.26Å; V1388-I1398 HydrophobicContact CG2-CG1 4.1Å; V1388-I1398 HydrophobicContact CG2-CG2 4.4Å; I1398-I1407 HydrophobicContact CG2-CB 4.41Å; I1398-I1407 HydrophobicContact CG2-CD1 3.98Å; I1398-I1407 HydrophobicContact CG2-CG1 4.41Å; I1398-I1407 PolarHBondContact O-N 3.39Å; I1398-R1408 PolarHBondContact N-O 3.43Å; I1398-F1410 HydrophobicContact CD1-CE2 3.74Å; I1398-F1410 HydrophobicContact CD1-CZ 4.43Å; I1398-F1410 HydrophobicContact CG1-CE2 4.19Å; I1398-V1441 HydrophobicContact CD1-CG1 3.67Å; I1398-A1446 HydrophobicContact CD1-CB 4.04Å |
| 1399 | W | 83.9 | Confident | 77.5 | Confident | 8 Ų | 8 | 41.9 Ų | 41.9 | 3% | 0.03 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 134.7 | -178.4 | -59.3 | 81.7 | 0 | 0 | 0 | 111.4 | L1282 L1320 L1387 T1389 V1397 C1405 I1406 | L1282-W1399 HydrophobicContact CD2-CD2 4.11Å; L1282-W1399 HydrophobicContact CD2-CG 4.43Å; L1282-W1399 HydrophobicContact CD2-CZ2 3.85Å; L1320-W1399 HydrophobicContact CB-CD2 4.49Å; L1320-W1399 HydrophobicContact CB-CE3 3.89Å; L1320-W1399 HydrophobicContact CB-CH2 4.35Å; L1320-W1399 HydrophobicContact CB-CZ3 3.81Å; L1320-W1399 HydrophobicContact CD1-CB 4.34Å; L1320-W1399 HydrophobicContact CD1-CD2 4.27Å; L1320-W1399 HydrophobicContact CD1-CE3 4.27Å; L1320-W1399 HydrophobicContact CD1-CG 4.33Å; L1320-W1399 HydrophobicContact CD2-CE3 4.18Å; L1320-W1399 HydrophobicContact CG-CE3 4.34Å; L1387-W1399 HydrophobicContact CB-CB 4.31Å; L1387-W1399 PolarHBondContact N-O 3.44Å; L1387-W1399 PolarHBondContact O-N 2.98Å; T1389-W1399 PolarHBondContact OG1-NE1 2.8Å; V1397-W1399 HydrophobicContact CG1-CD2 4.4Å; V1397-W1399 HydrophobicContact CG1-CZ2 4.12Å; W1399-C1405 CarbonylContact C-O 3.28Å; W1399-C1405 WeakPolarHBondContact CA-O 3.47Å; W1399-I1406 HydrophobicContact CD2-CG1 3.9Å; W1399-I1406 HydrophobicContact CE3-CG1 3.66Å; W1399-I1406 HydrophobicContact CH2-CD1 3.83Å; W1399-I1406 HydrophobicContact CH2-CG1 3.71Å; W1399-I1406 HydrophobicContact CZ2-CD1 3.97Å; W1399-I1406 HydrophobicContact CZ2-CG1 3.91Å; W1399-I1406 HydrophobicContact CZ3-CD1 4.18Å; W1399-I1406 HydrophobicContact CZ3-CG1 3.57Å |
| 1400 | D | 82.2 | Confident | 77.1 | Confident | 21 Ų | 21 | 42.4 Ų | 42.4 | 11% | 0.112 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 119.5 | 166.6 | -156.4 | -73.5 | 0 | 0 | 0 | 109.3 | R1386 Q1402 H1403 K1404 C1405 I1407 | R1386-D1400 IonicContact CZ-OD2 3.91Å; R1386-D1400 IonicContact NE-OD2 3.45Å; R1386-D1400 PolarHBondContact NE-OD2 3.36Å; R1386-D1400 IonicContact NH2-OD2 3.47Å; R1386-D1400 PolarHBondContact NH2-OD2 3.42Å; D1400-Q1402 WeakPolarHBondContact OD1-CB 3.27Å; D1400-Q1402 PolarHBondContact OD1-N 2.99Å; D1400-Q1402 VanDerWaalsContact OD1-N 3.1Å; D1400-H1403 HydrophobicContact CB-CB 4.38Å; D1400-H1403 IonicContact OD1-CD2 3.71Å; D1400-H1403 PolarHBondContact OD1-N 3.13Å; D1400-K1404 VanDerWaalsContact O-CA 3.28Å; D1400-K1404 WeakPolarHBondContact O-CA 3.47Å; D1400-K1404 PolarHBondContact O-N 3.12Å; D1400-C1405 PolarHBondContact N-O 3.47Å; D1400-C1405 PolarHBondContact O-N 3.49Å; D1400-I1407 HydrophobicContact CB-CD1 3.68Å; D1400-I1407 HydrophobicContact CB-CG1 3.7Å |
| 1401 | L | 79.1 | Confident | 76.8 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -21.8 | -175.1 | -61.8 | 179.8 | 0 | 0 | 0 | 112.6 | V1284 L1320 L1361 L1382 L1387 | V1284-L1401 HydrophobicContact CB-CD2 4.48Å; V1284-L1401 HydrophobicContact CG1-CD1 4.32Å; V1284-L1401 HydrophobicContact CG2-CD2 3.86Å; L1320-L1401 HydrophobicContact CD1-CD2 3.7Å; L1320-L1401 HydrophobicContact CD2-CD2 4.16Å; L1320-L1401 HydrophobicContact CG-CD2 4.48Å; L1361-L1401 HydrophobicContact CD2-CD1 3.88Å; L1382-L1401 HydrophobicContact CB-CB 4.2Å; L1382-L1401 HydrophobicContact CD2-CB 4.21Å; L1387-L1401 HydrophobicContact CB-CD1 4.24Å; L1387-L1401 HydrophobicContact CB-CD2 4.03Å; L1387-L1401 HydrophobicContact CB-CG 4.38Å |
| 1402 | Q | 76.9 | Confident | 76.4 | Confident | 103 Ų | 103 | 47.1 Ų | 47.1 | 48% | 0.481 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -43.4 | 172.2 | -174.6 | -179.3 | -17.3 | 0 | 0 | 110.9 | A1383 D1400 | A1383-Q1402 HydrophobicContact CB-CB 4.18Å; A1383-Q1402 HydrophobicContact CB-CG 4.14Å; D1400-Q1402 WeakPolarHBondContact OD1-CB 3.27Å; D1400-Q1402 PolarHBondContact OD1-N 2.99Å; D1400-Q1402 VanDerWaalsContact OD1-N 3.1Å |
| 1403 | H | 73.1 | Confident | 75.7 | Confident | 128 Ų | 128 | 46.1 Ų | 46.1 | 59% | 0.593 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95 | -3.2 | -177.4 | -64.4 | -68.7 | 0 | 0 | 0 | 114.2 | D1400 C1405 | D1400-H1403 HydrophobicContact CB-CB 4.38Å; D1400-H1403 IonicContact OD1-CD2 3.71Å; D1400-H1403 PolarHBondContact OD1-N 3.13Å; H1403-C1405 VanDerWaalsContact CB-SG 3.56Å; H1403-C1405 PolarHBondContact O-N 3.37Å |
| 1404 | K | 74.1 | Confident | 75.1 | Confident | 76 Ų | 76 | 43.5 Ų | 43.5 | 33% | 0.33 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 41 | -179.7 | -60.1 | -175.6 | 179.8 | -177.3 | 0 | 112.4 | D1316 S1318 L1320 D1400 | D1316-K1404 IonicContact OD2-NZ 2.92Å; D1316-K1404 PolarHBondContact OD2-NZ 3.46Å; S1318-K1404 VanDerWaalsContact CB-CE 3.45Å; L1320-K1404 HydrophobicContact CD2-CB 3.98Å; L1320-K1404 HydrophobicContact CD2-CG 4.31Å; D1400-K1404 VanDerWaalsContact O-CA 3.28Å; D1400-K1404 WeakPolarHBondContact O-CA 3.47Å; D1400-K1404 PolarHBondContact O-N 3.12Å |
| 1405 | C | 75.6 | Confident | 74.2 | Confident | 55 Ų | 55 | 47.7 Ų | 47.7 | 37% | 0.372 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 160.8 | -171.6 | 71.1 | 0 | 0 | 0 | 0 | 113.4 | W1399 D1400 H1403 | W1399-C1405 CarbonylContact C-O 3.28Å; W1399-C1405 WeakPolarHBondContact CA-O 3.47Å; D1400-C1405 PolarHBondContact N-O 3.47Å; D1400-C1405 PolarHBondContact O-N 3.49Å; H1403-C1405 VanDerWaalsContact CB-SG 3.56Å; H1403-C1405 PolarHBondContact O-N 3.37Å |
| 1406 | I | 79.8 | Confident | 72.9 | Confident | 59 Ų | 59 | 52.1 Ų | 52.1 | 30% | 0.303 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 124.9 | 172.2 | -63.9 | 176.5 | 0 | 0 | 0 | 109.7 | N1322 V1397 W1399 | N1322-I1406 WeakPolarHBondContact OD1-CD1 3.19Å; V1397-I1406 HydrophobicContact CG1-CB 4.21Å; V1397-I1406 HydrophobicContact CG1-CD1 3.55Å; V1397-I1406 HydrophobicContact CG1-CG1 3.59Å; V1397-I1406 HydrophobicContact CG1-CG2 3.64Å; W1399-I1406 HydrophobicContact CD2-CG1 3.9Å; W1399-I1406 HydrophobicContact CE3-CG1 3.66Å; W1399-I1406 HydrophobicContact CH2-CD1 3.83Å; W1399-I1406 HydrophobicContact CH2-CG1 3.71Å; W1399-I1406 HydrophobicContact CZ2-CD1 3.97Å; W1399-I1406 HydrophobicContact CZ2-CG1 3.91Å; W1399-I1406 HydrophobicContact CZ3-CD1 4.18Å; W1399-I1406 HydrophobicContact CZ3-CG1 3.57Å |
| 1407 | I | 81.7 | Confident | 71.2 | Confident | 60 Ų | 60 | 54.8 Ų | 54.8 | 31% | 0.308 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | -44.7 | 171.4 | -47 | -176.4 | 0 | 0 | 0 | 110 | R1386 I1398 D1400 A1446 | R1386-I1407 VanDerWaalsContact NE-CD1 3.3Å; I1398-I1407 HydrophobicContact CG2-CB 4.41Å; I1398-I1407 HydrophobicContact CG2-CD1 3.98Å; I1398-I1407 HydrophobicContact CG2-CG1 4.41Å; I1398-I1407 PolarHBondContact O-N 3.39Å; D1400-I1407 HydrophobicContact CB-CD1 3.68Å; D1400-I1407 HydrophobicContact CB-CG1 3.7Å; I1407-A1446 HydrophobicContact CB-CB 4.39Å; I1407-A1446 HydrophobicContact CG2-CB 3.66Å |
| 1408 | R | 81.6 | Confident | 69.4 | Low | 94 Ų | 94 | 61.7 Ų | 61.7 | 36% | 0.355 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 146.6 | 179.1 | -135.7 | 165.5 | -171 | -170.5 | -1.3 | 110.8 | I1398 F1410 A1446 | I1398-R1408 PolarHBondContact N-O 3.43Å; R1408-F1410 HydrophobicContact CB-CE2 4.21Å; R1408-F1410 HydrophobicContact CB-CZ 4.11Å; R1408-F1410 HydrophobicContact CG-CE1 4.26Å; R1408-F1410 HydrophobicContact CG-CZ 4.15Å; R1408-A1446 HydrophobicContact CB-CB 4.21Å; R1408-A1446 WeakPolarHBondContact CD-O 3.39Å; R1408-A1446 PolarHBondContact NH1-O 3.2Å |
| 1409 | S | 80.1 | Confident | 67.8 | Low | 63 Ų | 63 | 63.3 Ų | 63.3 | 44% | 0.441 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 140.5 | 164.5 | 169.4 | 0 | 0 | 0 | 0 | 108.6 | S1395 V1396 | S1395-S1409 WeakPolarHBondContact CB-OG 3.19Å; V1396-S1409 CarbonylContact O-C 3.54Å; V1396-S1409 WeakPolarHBondContact O-CA 3.42Å |
| 1410 | F | 76.9 | Confident | 66.1 | Low | 10 Ų | 10 | 67.6 Ų | 67.6 | 4% | 0.044 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 128.6 | 176.5 | -53.2 | -80.9 | 0 | 0 | 0 | 108.3 | S1395 V1396 I1398 R1408 F1432 V1441 Y1448 | S1395-F1410 CarbonylContact C-O 3.5Å; S1395-F1410 VanDerWaalsContact CA-O 3.26Å; S1395-F1410 WeakPolarHBondContact CA-O 3.46Å; V1396-F1410 HydrophobicContact CB-CB 4.47Å; V1396-F1410 PolarHBondContact N-O 3.36Å; V1396-F1410 PolarHBondContact O-N 3.32Å; I1398-F1410 HydrophobicContact CD1-CE2 3.74Å; I1398-F1410 HydrophobicContact CD1-CZ 4.43Å; I1398-F1410 HydrophobicContact CG1-CE2 4.19Å; R1408-F1410 HydrophobicContact CB-CE2 4.21Å; R1408-F1410 HydrophobicContact CB-CZ 4.11Å; R1408-F1410 HydrophobicContact CG-CE1 4.26Å; R1408-F1410 HydrophobicContact CG-CZ 4.15Å; F1410-F1432 HydrophobicContact CB-CE1 4.49Å; F1410-F1432 HydrophobicContact CB-CE2 4.35Å; F1410-F1432 HydrophobicContact CB-CZ 3.67Å; F1410-F1432 HydrophobicContact CD2-CE1 4.42Å; F1410-F1432 HydrophobicContact CD2-CZ 4.35Å; F1410-F1432 HydrophobicContact CG-CZ 4.08Å; F1410-V1441 HydrophobicContact CD2-CG2 4.45Å; F1410-V1441 HydrophobicContact CE1-CG2 4.39Å; F1410-V1441 HydrophobicContact CE2-CB 4.47Å; F1410-V1441 HydrophobicContact CE2-CG1 3.74Å; F1410-V1441 HydrophobicContact CE2-CG2 4.04Å; F1410-V1441 HydrophobicContact CZ-CG1 3.78Å; F1410-V1441 HydrophobicContact CZ-CG2 3.98Å; F1410-Y1448 HydrophobicContact CD1-CD2 4.47Å; F1410-Y1448 AromaticContact CD1-CE1 3.84Å; F1410-Y1448 HydrophobicContact CD1-CE1 3.84Å; F1410-Y1448 AromaticContact CD1-CE2 3.63Å; F1410-Y1448 HydrophobicContact CD1-CE2 3.63Å; F1410-Y1448 AromaticContact CD1-CZ 3.26Å; F1410-Y1448 VanDerWaalsContact CD1-OH 3.23Å; F1410-Y1448 WeakPolarHBondContact CD1-OH 3.2Å; F1410-Y1448 HydrophobicContact CE1-CD2 4.21Å; F1410-Y1448 HydrophobicContact CE1-CE1 4.07Å; F1410-Y1448 AromaticContact CE1-CE2 3.79Å; F1410-Y1448 HydrophobicContact CE1-CE2 3.79Å; F1410-Y1448 AromaticContact CE1-CZ 3.73Å; F1410-Y1448 HydrophobicContact CG-CE1 4.32Å; F1410-Y1448 AromaticContact CG-CZ 3.98Å |
| 1411 | K | 71.1 | Confident | 64.9 | Low | 133 Ų | 133 | 68 Ų | 68 | 58% | 0.578 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 122.2 | 177.6 | -175.4 | 165.8 | -175.7 | 162.9 | 0 | 110.4 | ||
| 1412 | A | 66 | Low | 64 | Low | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.008 | 37% | 0.365 | C | S | . | . | trans | -102 | 137.2 | 161.2 | 0 | 0 | 0 | 0 | 0 | 110 | G1394 L1414 F1432 G1433 D1434 | G1394-A1412 CarbonylContact C-O 3.59Å; G1394-A1412 WeakPolarHBondContact CA-O 3.29Å; G1394-A1412 CarbonylContact O-C 3.43Å; G1394-A1412 WeakPolarHBondContact O-CA 3.38Å; G1394-A1412 VanDerWaalsContact O-CB 3.27Å; G1394-A1412 WeakPolarHBondContact O-CB 3.18Å; G1394-A1412 PolarHBondContact O-N 2.81Å; A1412-L1414 VanDerWaalsContact C-N 3.29Å; A1412-L1414 PolarHBondContact O-N 3.39Å; A1412-F1432 HydrophobicContact CB-CD2 4.17Å; A1412-F1432 HydrophobicContact CB-CE2 4.36Å; A1412-G1433 WeakPolarHBondContact CB-O 3.45Å; A1412-D1434 WeakPolarHBondContact CA-OD1 3.3Å; A1412-D1434 HydrophobicContact CB-CB 3.95Å | ||
| 1413 | N | 53.8 | Low | 63.5 | Low | 72 Ų | 72 | 63.6 Ų | 63.6 | 39% | 0.385 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -81.5 | 71.7 | 175 | -78.5 | -16.9 | 0 | 0 | 0 | 111.9 | D1434 Q1435 | N1413-D1434 PolarHBondContact N-OD1 3.41Å; N1413-Q1435 HydrophobicContact CB-CG 4.01Å; N1413-Q1435 VanDerWaalsContact ND2-CG 3.26Å; N1413-Q1435 WeakPolarHBondContact ND2-CG 3.43Å; N1413-Q1435 PolarHBondContact ND2-NE2 3Å |
| 1414 | L | 55.1 | Low | 63.3 | Low | 18 Ų | 18 | 57.8 Ų | 57.8 | 9% | 0.094 | 32% | 0.316 | C | S | . | . | trans | -149.3 | 127 | 171.7 | -108.7 | 160.4 | 0 | 0 | 0 | 111.6 | Y1390 G1394 A1412 L1484 V1485 | Y1390-L1414 WeakPolarHBondContact OH-CB 3.48Å; Y1390-L1414 PolarHBondContact OH-O 3.03Å; G1394-L1414 VanDerWaalsContact CA-O 3.27Å; G1394-L1414 WeakPolarHBondContact CA-O 3.49Å; A1412-L1414 VanDerWaalsContact C-N 3.29Å; A1412-L1414 PolarHBondContact O-N 3.39Å; L1414-L1484 WeakPolarHBondContact CD1-O 3.28Å; L1414-V1485 HydrophobicContact CD1-CB 3.99Å; L1414-V1485 HydrophobicContact CD1-CG1 4.18Å; L1414-V1485 HydrophobicContact CD1-CG2 3.75Å; L1414-V1485 HydrophobicContact CD2-CG2 3.73Å; L1414-V1485 HydrophobicContact CG-CG2 4.39Å | ||
| 1415 | S | 47 | Very low | 62.9 | Low | 87 Ų | 87 | 55.1 Ų | 55.1 | 61% | 0.608 | 31% | 0.307 | S | S | * | . | trans | -141.5 | 12.2 | -176 | 62.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1416 | T | 44.5 | Very low | 62.3 | Low | 101 Ų | 101 | 53.7 Ų | 53.7 | 62% | 0.62 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -147.5 | 40.1 | -164.8 | 58.2 | 0 | 0 | 0 | 0 | 115.5 | ||
| 1417 | F | 44.6 | Very low | 61.5 | Low | 57 Ų | 57 | 56.5 Ų | 56.5 | 25% | 0.25 | 31% | 0.312 | C | S | . | . | trans | -147 | 138.3 | 160.6 | -94.6 | -69.9 | 0 | 0 | 0 | 111.6 | V1485 | F1417-V1485 HydrophobicContact CB-CG2 4.33Å; F1417-V1485 HydrophobicContact CD2-CG2 4.19Å | ||
| 1418 | N | 43.8 | Very low | 60.8 | Low | 148 Ų | 148 | 55 Ų | 55 | 79% | 0.791 | 31% | 0.312 | S | S | * | . | trans | -87.2 | 116.6 | 170.8 | -178 | 15.8 | 0 | 0 | 0 | 109 | ||||
| 1419 | M | 52.2 | Low | 60.4 | Low | 35 Ų | 35 | 52.5 Ų | 52.5 | 17% | 0.172 | 30% | 0.302 | C | S | . | . | trans | -145.4 | 140.4 | 174.2 | -85.2 | -134 | 63.8 | 0 | 0 | 111.1 | S1421 L1422 L1487 | M1419-S1421 PolarHBondContact O-N 2.77Å; M1419-L1422 HydrophobicContact CB-CD2 4.37Å; M1419-L1422 HydrophobicContact CB-CG 4.41Å; M1419-L1487 HydrophobicContact CE-CB 3.9Å; M1419-L1487 WeakPolarHBondContact CE-O 3.4Å; M1419-L1487 VanDerWaalsContact SD-CA 3.59Å; M1419-L1487 HydrophobicContact SD-CB 3.65Å; M1419-L1487 HydrophobicContact SD-CD2 3.46Å; M1419-L1487 WeakPolarHBondContact SD-CD2 3.44Å; M1419-L1487 HydrophobicContact SD-CG 4.04Å | ||
| 1420 | S | 49.8 | Very low | 60.2 | Low | 99 Ų | 99 | 49.6 Ų | 49.6 | 69% | 0.692 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -24.9 | -176.9 | 38.3 | 0 | 0 | 0 | 0 | 114.3 | N1358 | N1358-S1420 PolarHBondContact ND2-O 3.15Š|
| 1421 | S | 56.2 | Low | 60.1 | Low | 30 Ų | 30 | 49.2 Ų | 49.2 | 21% | 0.21 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130 | 38.4 | -167.2 | 25.6 | 0 | 0 | 0 | 0 | 114.8 | M1419 L1423 L1487 | M1419-S1421 PolarHBondContact O-N 2.77Å; S1421-L1423 PolarHBondContact O-N 3.09Å; S1421-L1423 VanDerWaalsContact O-N 3.12Å; S1421-L1487 PolarHBondContact OG-O 3.12Å |
| 1422 | L | 59.8 | Low | 60.2 | Low | 7 Ų | 7 | 42.9 Ų | 42.9 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -54.3 | -27.2 | 174.1 | -70.4 | 171.5 | 0 | 0 | 0 | 114.3 | I1357 N1358 Y1390 M1419 V1485 | I1357-L1422 HydrophobicContact CB-CD1 4.13Å; I1357-L1422 HydrophobicContact CD1-CD1 4.07Å; I1357-L1422 HydrophobicContact CG2-CD1 3.92Å; N1358-L1422 HydrophobicContact CB-CB 4.22Å; Y1390-L1422 HydrophobicContact CD1-CD1 4.17Å; Y1390-L1422 HydrophobicContact CD2-CB 4.32Å; Y1390-L1422 HydrophobicContact CE1-CD1 4.35Å; Y1390-L1422 HydrophobicContact CG-CB 4.4Å; M1419-L1422 HydrophobicContact CB-CD2 4.37Å; M1419-L1422 HydrophobicContact CB-CG 4.41Å; L1422-V1485 HydrophobicContact CD2-CG1 3.44Å; L1422-V1485 VanDerWaalsContact CD2-CG1 3.44Å |
| 1423 | L | 67.2 | Low | 60.3 | Low | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -110.1 | 100.9 | 169.3 | -67.8 | 173.1 | 0 | 0 | 0 | 110.4 | N1358 R1360 V1388 Y1390 V1396 S1421 V1430 F1432 | N1358-L1423 HydrophobicContact CB-CD1 4.21Å; N1358-L1423 HydrophobicContact CB-CG 4.24Å; R1360-L1423 PolarHBondContact NE-O 3.23Å; V1388-L1423 HydrophobicContact CG1-CD1 4.2Å; Y1390-L1423 HydrophobicContact CD2-CD2 4.2Å; Y1390-L1423 HydrophobicContact CD2-CG 4.44Å; V1396-L1423 HydrophobicContact CG1-CD2 3.91Å; V1396-L1423 HydrophobicContact CG2-CD2 4.04Å; S1421-L1423 PolarHBondContact O-N 3.09Å; S1421-L1423 VanDerWaalsContact O-N 3.12Å; L1423-V1430 HydrophobicContact CD2-CG1 3.9Å; L1423-F1432 HydrophobicContact CD2-CB 4.5Å |
| 1424 | L | 67.6 | Low | 60.9 | Low | 6 Ų | 6 | 39.7 Ų | 39.7 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 151.1 | 166.7 | -57.2 | 175.2 | 0 | 0 | 0 | 109.1 | V1431 P1486 I1489 V1532 | L1424-V1431 HydrophobicContact CB-CB 4.18Å; L1424-V1431 PolarHBondContact N-O 3.34Å; L1424-V1431 PolarHBondContact O-N 3.34Å; L1424-P1486 HydrophobicContact CD1-CB 3.9Å; L1424-P1486 HydrophobicContact CG-CB 4.46Å; L1424-I1489 HydrophobicContact CB-CD1 4.18Å; L1424-I1489 HydrophobicContact CD1-CD1 4.11Å; L1424-I1489 HydrophobicContact CD1-CG1 3.95Å; L1424-I1489 HydrophobicContact CD2-CD1 4.17Å; L1424-I1489 HydrophobicContact CD2-CG1 4.1Å; L1424-I1489 HydrophobicContact CG-CD1 4.39Å; L1424-V1532 HydrophobicContact CD1-CG1 3.7Å; L1424-V1532 HydrophobicContact CD1-CG2 4.37Å |
| 1425 | S | 66 | Low | 61.2 | Low | 20 Ų | 20 | 43.5 Ų | 43.5 | 14% | 0.14 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 129.3 | 162.8 | 78.8 | 0 | 0 | 0 | 0 | 112.1 | R1360 R1429 | R1360-S1425 WeakPolarHBondContact CD-OG 3.25Å; R1360-S1425 PolarHBondContact NH1-OG 2.92Å; S1425-R1429 CarbonylContact C-O 3.5Å; S1425-R1429 WeakPolarHBondContact CA-O 3.02Å; S1425-R1429 VanDerWaalsContact CB-O 3.24Å; S1425-R1429 WeakPolarHBondContact CB-O 3.42Å |
| 1426 | V | 63.1 | Low | 61.9 | Low | 26 Ų | 26 | 39.6 Ų | 39.6 | 16% | 0.158 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 133 | -179.2 | -167.2 | 0 | 0 | 0 | 0 | 107.7 | G1428 R1429 V1431 I1489 V1547 F1552 | V1426-G1428 PolarHBondContact O-N 2.9Å; V1426-R1429 PolarHBondContact N-O 3.49Å; V1426-R1429 WeakPolarHBondContact O-CB 3.09Å; V1426-R1429 PolarHBondContact O-N 3.14Å; V1426-V1431 HydrophobicContact CG2-CG2 4.4Å; V1426-I1489 HydrophobicContact CG2-CD1 3.6Å; V1426-V1547 HydrophobicContact CG1-CG1 4.25Å; V1426-F1552 HydrophobicContact CB-CE2 3.84Å; V1426-F1552 HydrophobicContact CB-CZ 3.85Å; V1426-F1552 HydrophobicContact CG1-CD2 4.35Å; V1426-F1552 HydrophobicContact CG1-CE2 3.51Å; V1426-F1552 HydrophobicContact CG1-CZ 4.05Å |
| 1427 | D | 63.4 | Low | 62.9 | Low | 117 Ų | 117 | 37.7 Ų | 37.7 | 63% | 0.626 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 33.2 | -178.5 | -60.7 | -39.1 | 0 | 0 | 0 | 115.2 | R1429 F1552 | D1427-R1429 VanDerWaalsContact C-N 3.3Å; D1427-R1429 PolarHBondContact O-N 3.05Å; D1427-F1552 WeakPolarHBondContact OD2-CD2 3.31Å |
| 1428 | G | 68.2 | Low | 64.1 | Low | 29 Ų | 29 | 35 Ų | 35 | 30% | 0.299 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 8.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | F1362 V1426 P1443 | F1362-G1428 WeakPolarHBondContact CE1-O 3.49Å; V1426-G1428 PolarHBondContact O-N 2.9Å; G1428-P1443 WeakPolarHBondContact O-CD 3.4Å; G1428-P1443 VanDerWaalsContact O-CG 3.3Å; G1428-P1443 WeakPolarHBondContact O-CG 3.42Å |
| 1429 | R | 71.9 | Confident | 65.5 | Low | 41 Ų | 41 | 30.2 Ų | 30.2 | 16% | 0.155 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 142.2 | 176.2 | -53.3 | 163.5 | -161.8 | -130.2 | 11.5 | 109 | S1425 V1426 D1427 V1440 E1449 F1552 D1553 | S1425-R1429 CarbonylContact C-O 3.5Å; S1425-R1429 WeakPolarHBondContact CA-O 3.02Å; S1425-R1429 VanDerWaalsContact CB-O 3.24Å; S1425-R1429 WeakPolarHBondContact CB-O 3.42Å; V1426-R1429 PolarHBondContact N-O 3.49Å; V1426-R1429 WeakPolarHBondContact O-CB 3.09Å; V1426-R1429 PolarHBondContact O-N 3.14Å; D1427-R1429 VanDerWaalsContact C-N 3.3Å; D1427-R1429 PolarHBondContact O-N 3.05Å; R1429-V1440 HydrophobicContact CB-CG1 4.04Å; R1429-E1449 VanDerWaalsContact CD-OE2 3.31Å; R1429-E1449 WeakPolarHBondContact CD-OE2 3.25Å; R1429-E1449 IonicContact CZ-OE2 2.72Å; R1429-E1449 IonicContact NE-OE2 2.7Å; R1429-E1449 IonicContact NH1-OE1 3.98Å; R1429-E1449 IonicContact NH1-OE2 3.69Å; R1429-E1449 PolarHBondContact NH1-OE2 2.91Å; R1429-F1552 VanDerWaalsContact CD-CD1 3.49Å; R1429-D1553 PolarHBondContact NH1-O 3.26Å; R1429-D1553 PolarHBondContact NH2-O 3.2Å |
| 1430 | V | 76.8 | Confident | 66.7 | Low | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.012 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 140.2 | 176.7 | -176.6 | 0 | 0 | 0 | 0 | 109.6 | F1362 V1388 L1423 F1432 V1440 V1441 P1443 | F1362-V1430 HydrophobicContact CE2-CG2 3.68Å; F1362-V1430 HydrophobicContact CZ-CG2 3.56Å; V1388-V1430 HydrophobicContact CB-CG2 4.33Å; V1388-V1430 HydrophobicContact CG1-CG1 4.3Å; V1388-V1430 HydrophobicContact CG1-CG2 4.12Å; V1388-V1430 HydrophobicContact CG2-CG2 3.94Å; L1423-V1430 HydrophobicContact CD2-CG1 3.9Å; V1430-F1432 HydrophobicContact CG1-CD1 4.31Å; V1430-V1440 WeakPolarHBondContact O-CA 3.21Å; V1430-V1441 WeakPolarHBondContact CB-O 3.39Å; V1430-V1441 PolarHBondContact N-O 2.87Å; V1430-V1441 PolarHBondContact O-N 3.46Å; V1430-P1443 HydrophobicContact CG2-CB 4.46Å |
| 1431 | V | 73.8 | Confident | 68 | Low | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.012 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 127.4 | 175.8 | -172.7 | 0 | 0 | 0 | 0 | 110.1 | L1424 V1426 L1438 R1439 V1440 | L1424-V1431 HydrophobicContact CB-CB 4.18Å; L1424-V1431 PolarHBondContact N-O 3.34Å; L1424-V1431 PolarHBondContact O-N 3.34Å; V1426-V1431 HydrophobicContact CG2-CG2 4.4Å; V1431-L1438 HydrophobicContact CG1-CD1 3.9Å; V1431-L1438 HydrophobicContact CG1-CD2 3.69Å; V1431-L1438 HydrophobicContact CG1-CG 3.56Å; V1431-R1439 WeakPolarHBondContact CA-O 3.5Å; V1431-V1440 HydrophobicContact CG2-CG2 4.26Å |
| 1432 | F | 74.4 | Confident | 69.2 | Low | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 157.4 | -179.9 | 66.1 | -93.2 | 0 | 0 | 0 | 112.5 | V1396 F1410 A1412 L1423 V1430 D1434 L1438 R1439 V1441 Y1448 | V1396-F1432 HydrophobicContact CB-CD1 4.28Å; V1396-F1432 HydrophobicContact CB-CE1 4.14Å; V1396-F1432 HydrophobicContact CB-CZ 4.3Å; V1396-F1432 HydrophobicContact CG1-CD1 4.1Å; V1396-F1432 HydrophobicContact CG1-CE1 4.07Å; V1396-F1432 HydrophobicContact CG2-CB 4.19Å; V1396-F1432 HydrophobicContact CG2-CD1 3.94Å; V1396-F1432 HydrophobicContact CG2-CD2 3.9Å; V1396-F1432 HydrophobicContact CG2-CE1 4.21Å; V1396-F1432 HydrophobicContact CG2-CE2 4.18Å; V1396-F1432 HydrophobicContact CG2-CG 3.77Å; V1396-F1432 HydrophobicContact CG2-CZ 4.32Å; F1410-F1432 HydrophobicContact CB-CE1 4.49Å; F1410-F1432 HydrophobicContact CB-CE2 4.35Å; F1410-F1432 HydrophobicContact CB-CZ 3.67Å; F1410-F1432 HydrophobicContact CD2-CE1 4.42Å; F1410-F1432 HydrophobicContact CD2-CZ 4.35Å; F1410-F1432 HydrophobicContact CG-CZ 4.08Å; A1412-F1432 HydrophobicContact CB-CD2 4.17Å; A1412-F1432 HydrophobicContact CB-CE2 4.36Å; L1423-F1432 HydrophobicContact CD2-CB 4.5Å; V1430-F1432 HydrophobicContact CG1-CD1 4.31Å; F1432-D1434 HydrophobicContact CE2-CB 4.47Å; F1432-L1438 CarbonylContact O-C 3.55Å; F1432-R1439 HydrophobicContact CD2-CB 4.5Å; F1432-R1439 HydrophobicContact CE1-CB 4.35Å; F1432-R1439 HydrophobicContact CE2-CB 4.17Å; F1432-R1439 HydrophobicContact CE2-CG 4.39Å; F1432-R1439 HydrophobicContact CZ-CB 4.1Å; F1432-R1439 PolarHBondContact N-O 3.32Å; F1432-R1439 VanDerWaalsContact N-O 3.11Å; F1432-R1439 PolarHBondContact O-N 3.29Å; F1432-V1441 HydrophobicContact CE1-CB 4.49Å; F1432-V1441 HydrophobicContact CE1-CG2 3.75Å; F1432-V1441 HydrophobicContact CZ-CG2 4.38Å; F1432-Y1448 HydrophobicContact CE1-CE1 4.3Å; F1432-Y1448 AromaticContact CZ-CE1 3.8Å; F1432-Y1448 HydrophobicContact CZ-CE1 3.8Å |
| 1433 | G | 68.1 | Low | 70.2 | Confident | 3 Ų | 3 | 23.6 Ų | 23.6 | 3% | 0.031 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 140.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A1412 Y1437 | A1412-G1433 WeakPolarHBondContact CB-O 3.45Å; G1433-Y1437 CarbonylContact C-O 3.56Å; G1433-Y1437 WeakPolarHBondContact CA-O 3.32Å |
| 1434 | D | 65.2 | Low | 70.9 | Confident | 4 Ų | 4 | 26.7 Ų | 26.7 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 124.2 | 171.1 | 169.3 | 45.7 | 0 | 0 | 0 | 110.6 | A1412 N1413 F1432 S1436 Y1437 R1439 | A1412-D1434 WeakPolarHBondContact CA-OD1 3.3Å; A1412-D1434 HydrophobicContact CB-CB 3.95Å; N1413-D1434 PolarHBondContact N-OD1 3.41Å; F1432-D1434 HydrophobicContact CE2-CB 4.47Å; D1434-S1436 VanDerWaalsContact C-N 3.3Å; D1434-S1436 PolarHBondContact O-N 3Å; D1434-Y1437 PolarHBondContact N-O 3.27Å; D1434-Y1437 WeakPolarHBondContact O-CA 3.41Å; D1434-Y1437 WeakPolarHBondContact O-CB 3.31Å; D1434-Y1437 PolarHBondContact O-N 2.89Å; D1434-R1439 IonicContact OD2-CZ 3.28Å; D1434-R1439 IonicContact OD2-NE 3.64Å; D1434-R1439 PolarHBondContact OD2-NE 2.96Å; D1434-R1439 VanDerWaalsContact OD2-NE 3.1Å; D1434-R1439 IonicContact OD2-NH2 3.17Å; D1434-R1439 PolarHBondContact OD2-NH2 3.46Å |
| 1435 | Q | 62.8 | Low | 71.5 | Confident | 97 Ų | 97 | 29.4 Ų | 29.4 | 45% | 0.453 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 43.3 | 171.4 | -70.6 | 166.4 | 88.2 | 0 | 0 | 114.5 | N1413 Y1437 | N1413-Q1435 HydrophobicContact CB-CG 4.01Å; N1413-Q1435 VanDerWaalsContact ND2-CG 3.26Å; N1413-Q1435 WeakPolarHBondContact ND2-CG 3.43Å; N1413-Q1435 PolarHBondContact ND2-NE2 3Å; Q1435-Y1437 VanDerWaalsContact C-N 3.25Å; Q1435-Y1437 VanDerWaalsContact O-CD2 3.26Å; Q1435-Y1437 WeakPolarHBondContact O-CD2 3.21Å; Q1435-Y1437 PolarHBondContact O-N 2.89Å |
| 1436 | S | 61 | Low | 72 | Confident | 6 Ų | 6 | 28.7 Ų | 28.7 | 4% | 0.042 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 10.6 | -173.5 | 76.1 | 0 | 0 | 0 | 0 | 117.2 | D1434 L1454 | D1434-S1436 VanDerWaalsContact C-N 3.3Å; D1434-S1436 PolarHBondContact O-N 3Å; S1436-L1454 PolarHBondContact O-N 2.6Å |
| 1437 | Y | 65.8 | Low | 72.5 | Confident | 61 Ų | 61 | 33.7 Ų | 33.7 | 24% | 0.239 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 134.9 | 166.6 | -60 | -92.9 | 0 | 0 | 0 | 110.5 | I969 G1433 D1434 Q1435 V1452 Q1453 | I969-Y1437 HydrophobicContact CG2-CE1 4.26Å; G1433-Y1437 CarbonylContact C-O 3.56Å; G1433-Y1437 WeakPolarHBondContact CA-O 3.32Å; D1434-Y1437 PolarHBondContact N-O 3.27Å; D1434-Y1437 WeakPolarHBondContact O-CA 3.41Å; D1434-Y1437 WeakPolarHBondContact O-CB 3.31Å; D1434-Y1437 PolarHBondContact O-N 2.89Å; Q1435-Y1437 VanDerWaalsContact C-N 3.25Å; Q1435-Y1437 VanDerWaalsContact O-CD2 3.26Å; Q1435-Y1437 WeakPolarHBondContact O-CD2 3.21Å; Q1435-Y1437 PolarHBondContact O-N 2.89Å; Y1437-V1452 CarbonylContact C-O 3.53Å; Y1437-V1452 VanDerWaalsContact CA-O 3.28Å; Y1437-V1452 WeakPolarHBondContact CA-O 3.43Å; Y1437-Q1453 HydrophobicContact CD1-CB 3.75Å; Y1437-Q1453 HydrophobicContact CD1-CG 4.16Å; Y1437-Q1453 HydrophobicContact CE1-CB 3.6Å; Y1437-Q1453 HydrophobicContact CE1-CG 3.75Å; Y1437-Q1453 PolarHBondContact OH-NE2 2.83Å |
| 1438 | L | 69.1 | Low | 73 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 114 | 164.6 | -167.2 | 81.2 | 0 | 0 | 0 | 108.1 | V1431 F1432 V1452 L1454 P1486 V1532 I1550 | V1431-L1438 HydrophobicContact CG1-CD1 3.9Å; V1431-L1438 HydrophobicContact CG1-CD2 3.69Å; V1431-L1438 HydrophobicContact CG1-CG 3.56Å; F1432-L1438 CarbonylContact O-C 3.55Å; L1438-V1452 HydrophobicContact CB-CB 4.31Å; L1438-V1452 PolarHBondContact N-O 3.03Å; L1438-V1452 PolarHBondContact O-N 3Å; L1438-L1454 HydrophobicContact CB-CD1 3.94Å; L1438-L1454 HydrophobicContact CB-CG 4.33Å; L1438-P1486 HydrophobicContact CD1-CB 4.38Å; L1438-V1532 HydrophobicContact CD1-CG1 4.07Å; L1438-V1532 HydrophobicContact CD2-CB 4.32Å; L1438-V1532 HydrophobicContact CD2-CG1 4.15Å; L1438-V1532 HydrophobicContact CD2-CG2 4.04Å; L1438-I1550 HydrophobicContact CD2-CD1 3.58Å |
| 1439 | R | 72.7 | Confident | 73.2 | Confident | 46 Ų | 46 | 31.4 Ų | 31.4 | 17% | 0.174 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 130.6 | -173.6 | -56.8 | -168.9 | -178.1 | -111.6 | 10 | 111 | E967 V1431 F1432 D1434 Y1448 | E967-R1439 IonicContact OE2-NH1 2.65Å; V1431-R1439 WeakPolarHBondContact CA-O 3.5Å; F1432-R1439 HydrophobicContact CD2-CB 4.5Å; F1432-R1439 HydrophobicContact CE1-CB 4.35Å; F1432-R1439 HydrophobicContact CE2-CB 4.17Å; F1432-R1439 HydrophobicContact CE2-CG 4.39Å; F1432-R1439 HydrophobicContact CZ-CB 4.1Å; F1432-R1439 PolarHBondContact N-O 3.32Å; F1432-R1439 VanDerWaalsContact N-O 3.11Å; F1432-R1439 PolarHBondContact O-N 3.29Å; D1434-R1439 IonicContact OD2-CZ 3.28Å; D1434-R1439 IonicContact OD2-NE 3.64Å; D1434-R1439 PolarHBondContact OD2-NE 2.96Å; D1434-R1439 VanDerWaalsContact OD2-NE 3.1Å; D1434-R1439 IonicContact OD2-NH2 3.17Å; D1434-R1439 PolarHBondContact OD2-NH2 3.46Å; R1439-Y1448 HydrophobicContact CB-CD1 4.05Å; R1439-Y1448 HydrophobicContact CB-CE1 3.76Å; R1439-Y1448 VanDerWaalsContact CD-OH 3.31Å; R1439-Y1448 WeakPolarHBondContact CD-OH 3.24Å; R1439-Y1448 HydrophobicContact CG-CE1 4.15Å |
| 1440 | V | 78.1 | Confident | 73.1 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 123 | 173.5 | -177.7 | 0 | 0 | 0 | 0 | 109.2 | R1429 V1430 V1431 Y1448 E1449 R1450 I1550 F1552 | R1429-V1440 HydrophobicContact CB-CG1 4.04Å; V1430-V1440 WeakPolarHBondContact O-CA 3.21Å; V1431-V1440 HydrophobicContact CG2-CG2 4.26Å; V1440-Y1448 WeakPolarHBondContact O-CA 3.28Å; V1440-E1449 HydrophobicContact CG1-CB 4.48Å; V1440-E1449 PolarHBondContact O-N 3.28Å; V1440-R1450 HydrophobicContact CB-CB 4.43Å; V1440-R1450 WeakPolarHBondContact CB-O 3.37Å; V1440-R1450 HydrophobicContact CG2-CB 4.39Å; V1440-R1450 PolarHBondContact N-O 3.21Å; V1440-I1550 HydrophobicContact CG2-CG2 4.01Å; V1440-F1552 HydrophobicContact CG1-CD1 4.21Å; V1440-F1552 HydrophobicContact CG1-CE1 3.76Å; V1440-F1552 HydrophobicContact CG2-CE1 4.01Å |
| 1441 | V | 76.9 | Confident | 72.8 | Confident | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.012 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 128.1 | 176.5 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | I1398 F1410 V1430 F1432 K1447 Y1448 | I1398-V1441 HydrophobicContact CD1-CG1 3.67Å; F1410-V1441 HydrophobicContact CD2-CG2 4.45Å; F1410-V1441 HydrophobicContact CE1-CG2 4.39Å; F1410-V1441 HydrophobicContact CE2-CB 4.47Å; F1410-V1441 HydrophobicContact CE2-CG1 3.74Å; F1410-V1441 HydrophobicContact CE2-CG2 4.04Å; F1410-V1441 HydrophobicContact CZ-CG1 3.78Å; F1410-V1441 HydrophobicContact CZ-CG2 3.98Å; V1430-V1441 WeakPolarHBondContact CB-O 3.39Å; V1430-V1441 PolarHBondContact N-O 2.87Å; V1430-V1441 PolarHBondContact O-N 3.46Å; F1432-V1441 HydrophobicContact CE1-CB 4.49Å; F1432-V1441 HydrophobicContact CE1-CG2 3.75Å; F1432-V1441 HydrophobicContact CZ-CG2 4.38Å; V1441-K1447 WeakPolarHBondContact CA-O 3.38Å; V1441-Y1448 HydrophobicContact CG2-CD1 3.21Å; V1441-Y1448 HydrophobicContact CG2-CE1 3.39Å; V1441-Y1448 HydrophobicContact CG2-CG 4.19Å |
| 1442 | N | 81.4 | Confident | 72.4 | Confident | 30 Ų | 30 | 31.6 Ų | 31.6 | 16% | 0.16 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 122.5 | 171.7 | 169.8 | -22.3 | 0 | 0 | 0 | 110.3 | W1444 T1445 A1446 K1447 E1449 | N1442-W1444 PolarHBondContact O-N 2.85Å; N1442-W1444 WeakPolarHBondContact OD1-CA 3.48Å; N1442-W1444 WeakPolarHBondContact OD1-CB 3.49Å; N1442-W1444 PolarHBondContact OD1-N 2.75Å; N1442-T1445 WeakPolarHBondContact CB-OG1 3.32Å; N1442-T1445 PolarHBondContact O-N 2.84Å; N1442-T1445 PolarHBondContact O-OG1 3.36Å; N1442-T1445 PolarHBondContact OD1-N 2.95Å; N1442-A1446 WeakPolarHBondContact O-CA 3.49Å; N1442-A1446 PolarHBondContact O-N 2.7Å; N1442-K1447 PolarHBondContact N-O 2.7Å; N1442-E1449 HydrophobicContact CB-CG 3.99Å; N1442-E1449 WeakPolarHBondContact CB-OE1 3.27Å; N1442-E1449 PolarHBondContact ND2-OE1 3.21Å |
| 1443 | P | 80.5 | Confident | 72 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -22 | -174.4 | 26.7 | -33.9 | 0 | 0 | 0 | 113.4 | F1362 R1386 V1388 G1428 V1430 | F1362-P1443 HydrophobicContact CB-CG 4.16Å; F1362-P1443 HydrophobicContact CD1-CG 3.79Å; F1362-P1443 HydrophobicContact CD2-CB 4.05Å; F1362-P1443 HydrophobicContact CD2-CG 4.04Å; F1362-P1443 HydrophobicContact CE1-CG 4.17Å; F1362-P1443 HydrophobicContact CE2-CB 4.46Å; F1362-P1443 HydrophobicContact CE2-CG 4.4Å; F1362-P1443 HydrophobicContact CG-CB 4.16Å; F1362-P1443 HydrophobicContact CG-CG 3.71Å; F1362-P1443 HydrophobicContact CZ-CG 4.46Å; R1386-P1443 WeakPolarHBondContact CD-O 3.45Å; R1386-P1443 PolarHBondContact NH1-O 3.46Å; V1388-P1443 HydrophobicContact CG2-CB 4.19Å; G1428-P1443 WeakPolarHBondContact O-CD 3.4Å; G1428-P1443 VanDerWaalsContact O-CG 3.3Å; G1428-P1443 WeakPolarHBondContact O-CG 3.42Å; V1430-P1443 HydrophobicContact CG2-CB 4.46Å |
| 1444 | W | 82.2 | Confident | 71.7 | Confident | 66 Ų | 66 | 32.1 Ų | 32.1 | 25% | 0.25 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -34.7 | 178.9 | -63.5 | 104.1 | 0 | 0 | 0 | 112.8 | F1362 M1363 R1364 R1386 N1442 | F1362-W1444 HydrophobicContact CB-CZ2 4.33Å; M1363-W1444 VanDerWaalsContact C-CZ2 3.48Å; R1364-W1444 HydrophobicContact CB-CE3 4.43Å; R1364-W1444 HydrophobicContact CB-CH2 3.66Å; R1364-W1444 HydrophobicContact CB-CZ2 3.72Å; R1364-W1444 HydrophobicContact CB-CZ3 4.01Å; R1364-W1444 HydrophobicContact CG-CD2 4.46Å; R1364-W1444 HydrophobicContact CG-CE3 4.42Å; R1364-W1444 HydrophobicContact CG-CH2 4.49Å; R1364-W1444 HydrophobicContact CG-CZ3 4.42Å; R1364-W1444 VanDerWaalsContact N-CZ2 3.29Å; R1386-W1444 HydrophobicContact CB-CH2 4.13Å; R1386-W1444 HydrophobicContact CB-CZ2 4.4Å; R1386-W1444 HydrophobicContact CB-CZ3 4.46Å; R1386-W1444 HydrophobicContact CG-CE3 4.25Å; R1386-W1444 HydrophobicContact CG-CH2 3.79Å; R1386-W1444 HydrophobicContact CG-CZ2 4.47Å; R1386-W1444 HydrophobicContact CG-CZ3 3.69Å; R1386-W1444 VanDerWaalsContact NH1-C 3.31Å; R1386-W1444 PolarHBondContact NH1-O 2.89Å; N1442-W1444 PolarHBondContact O-N 2.85Å; N1442-W1444 WeakPolarHBondContact OD1-CA 3.48Å; N1442-W1444 WeakPolarHBondContact OD1-CB 3.49Å; N1442-W1444 PolarHBondContact OD1-N 2.75Å |
| 1445 | T | 80.4 | Confident | 71.1 | Confident | 64 Ų | 64 | 33.3 Ų | 33.3 | 39% | 0.393 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -20.6 | 175 | 66.8 | 0 | 0 | 0 | 0 | 113.3 | N1442 K1447 | N1442-T1445 WeakPolarHBondContact CB-OG1 3.32Å; N1442-T1445 PolarHBondContact O-N 2.84Å; N1442-T1445 PolarHBondContact O-OG1 3.36Å; N1442-T1445 PolarHBondContact OD1-N 2.95Å; T1445-K1447 PolarHBondContact O-N 2.97Å; T1445-K1447 PolarHBondContact OG1-N 3.34Å |
| 1446 | A | 75.9 | Confident | 70.2 | Confident | 4 Ų | 4 | 33 Ų | 33 | 3% | 0.033 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 34 | -168.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I1398 I1407 R1408 N1442 | I1398-A1446 HydrophobicContact CD1-CB 4.04Å; I1407-A1446 HydrophobicContact CB-CB 4.39Å; I1407-A1446 HydrophobicContact CG2-CB 3.66Å; R1408-A1446 HydrophobicContact CB-CB 4.21Å; R1408-A1446 WeakPolarHBondContact CD-O 3.39Å; R1408-A1446 PolarHBondContact NH1-O 3.2Å; N1442-A1446 WeakPolarHBondContact O-CA 3.49Å; N1442-A1446 PolarHBondContact O-N 2.7Å |
| 1447 | K | 73.2 | Confident | 69.3 | Low | 131 Ų | 131 | 35.2 Ų | 35.2 | 57% | 0.57 | 17% | 0.172 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 146.3 | 178.2 | -70 | 167.7 | -171.8 | 174.2 | 0 | 109.8 | V1441 N1442 T1445 E1449 | V1441-K1447 WeakPolarHBondContact CA-O 3.38Å; N1442-K1447 PolarHBondContact N-O 2.7Å; T1445-K1447 PolarHBondContact O-N 2.97Å; T1445-K1447 PolarHBondContact OG1-N 3.34Å; K1447-E1449 PolarHBondContact O-N 2.67Å |
| 1448 | Y | 74.4 | Confident | 67.9 | Low | 48 Ų | 48 | 36.4 Ų | 36.4 | 19% | 0.188 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 132.3 | 160.9 | -64.9 | -61.1 | 0 | 0 | 0 | 108.8 | E967 F1410 F1432 R1439 V1440 V1441 | E967-Y1448 WeakPolarHBondContact OE1-CD2 3.46Å; F1410-Y1448 HydrophobicContact CD1-CD2 4.47Å; F1410-Y1448 AromaticContact CD1-CE1 3.84Å; F1410-Y1448 HydrophobicContact CD1-CE1 3.84Å; F1410-Y1448 AromaticContact CD1-CE2 3.63Å; F1410-Y1448 HydrophobicContact CD1-CE2 3.63Å; F1410-Y1448 AromaticContact CD1-CZ 3.26Å; F1410-Y1448 VanDerWaalsContact CD1-OH 3.23Å; F1410-Y1448 WeakPolarHBondContact CD1-OH 3.2Å; F1410-Y1448 HydrophobicContact CE1-CD2 4.21Å; F1410-Y1448 HydrophobicContact CE1-CE1 4.07Å; F1410-Y1448 AromaticContact CE1-CE2 3.79Å; F1410-Y1448 HydrophobicContact CE1-CE2 3.79Å; F1410-Y1448 AromaticContact CE1-CZ 3.73Å; F1410-Y1448 HydrophobicContact CG-CE1 4.32Å; F1410-Y1448 AromaticContact CG-CZ 3.98Å; F1432-Y1448 HydrophobicContact CE1-CE1 4.3Å; F1432-Y1448 AromaticContact CZ-CE1 3.8Å; F1432-Y1448 HydrophobicContact CZ-CE1 3.8Å; R1439-Y1448 HydrophobicContact CB-CD1 4.05Å; R1439-Y1448 HydrophobicContact CB-CE1 3.76Å; R1439-Y1448 VanDerWaalsContact CD-OH 3.31Å; R1439-Y1448 WeakPolarHBondContact CD-OH 3.24Å; R1439-Y1448 HydrophobicContact CG-CE1 4.15Å; V1440-Y1448 WeakPolarHBondContact O-CA 3.28Å; V1441-Y1448 HydrophobicContact CG2-CD1 3.21Å; V1441-Y1448 HydrophobicContact CG2-CE1 3.39Å; V1441-Y1448 HydrophobicContact CG2-CG 4.19Å |
| 1449 | E | 71.9 | Confident | 66.3 | Low | 51 Ų | 51 | 40.7 Ų | 40.7 | 24% | 0.238 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | -45.7 | 174.5 | -66.4 | -174.6 | 153.6 | 0 | 0 | 110.3 | P968 R1429 V1440 N1442 K1447 | P968-E1449 WeakPolarHBondContact CG-O 3.48Å; R1429-E1449 VanDerWaalsContact CD-OE2 3.31Å; R1429-E1449 WeakPolarHBondContact CD-OE2 3.25Å; R1429-E1449 IonicContact CZ-OE2 2.72Å; R1429-E1449 IonicContact NE-OE2 2.7Å; R1429-E1449 IonicContact NH1-OE1 3.98Å; R1429-E1449 IonicContact NH1-OE2 3.69Å; R1429-E1449 PolarHBondContact NH1-OE2 2.91Å; V1440-E1449 HydrophobicContact CG1-CB 4.48Å; V1440-E1449 PolarHBondContact O-N 3.28Å; N1442-E1449 HydrophobicContact CB-CG 3.99Å; N1442-E1449 WeakPolarHBondContact CB-OE1 3.27Å; N1442-E1449 PolarHBondContact ND2-OE1 3.21Å; K1447-E1449 PolarHBondContact O-N 2.67Å |
| 1450 | R | 70 | Confident | 64.5 | Low | 44 Ų | 44 | 42.4 Ų | 42.4 | 17% | 0.166 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 150.3 | 176.3 | -63 | -173.4 | 165.2 | -161.3 | -9.8 | 110.4 | P968 V1440 K1551 D1553 | P968-R1450 HydrophobicContact CG-CB 4.49Å; P968-R1450 HydrophobicContact CG-CG 4.02Å; V1440-R1450 HydrophobicContact CB-CB 4.43Å; V1440-R1450 WeakPolarHBondContact CB-O 3.37Å; V1440-R1450 HydrophobicContact CG2-CB 4.39Å; V1440-R1450 PolarHBondContact N-O 3.21Å; R1450-K1551 WeakPolarHBondContact CD-O 3.49Å; R1450-K1551 PolarHBondContact NH1-O 2.89Å; R1450-D1553 IonicContact CZ-OD1 2.71Å; R1450-D1553 IonicContact CZ-OD2 3.43Å; R1450-D1553 IonicContact NE-OD2 3.13Å; R1450-D1553 IonicContact NH1-OD1 3.47Å; R1450-D1553 IonicContact NH2-OD1 2.95Å; R1450-D1553 PolarHBondContact NH2-OD1 3.47Å; R1450-D1553 IonicContact NH2-OD2 2.75Å; R1450-D1553 PolarHBondContact NH2-OD2 3.24Å |
| 1451 | S | 70.5 | Confident | 62.1 | Low | 4 Ų | 4 | 49.1 Ų | 49.1 | 3% | 0.028 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 121.9 | 169.8 | 43.4 | 0 | 0 | 0 | 0 | 109.4 | E967 I969 I970 | E967-S1451 PolarHBondContact OE2-OG 3.44Å; E967-S1451 VanDerWaalsContact OE2-OG 3.05Å; I969-S1451 WeakPolarHBondContact CA-O 3.42Å; I970-S1451 PolarHBondContact N-O 3.24Å; I970-S1451 VanDerWaalsContact N-O 3.11Å |
| 1452 | V | 66 | Low | 59.9 | Low | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 117.3 | -176.4 | -177.2 | 0 | 0 | 0 | 0 | 108.7 | I970 V972 Y1437 L1438 L1454 I1550 | I970-V1452 HydrophobicContact CB-CG2 4.45Å; I970-V1452 CarbonylContact O-C 3.55Å; I970-V1452 VanDerWaalsContact O-CA 3.24Å; I970-V1452 WeakPolarHBondContact O-CA 3.27Å; V972-V1452 HydrophobicContact CB-CG1 3.7Å; V972-V1452 HydrophobicContact CG2-CG1 3.49Å; V972-V1452 VanDerWaalsContact CG2-CG1 3.49Å; Y1437-V1452 CarbonylContact C-O 3.53Å; Y1437-V1452 VanDerWaalsContact CA-O 3.28Å; Y1437-V1452 WeakPolarHBondContact CA-O 3.43Å; L1438-V1452 HydrophobicContact CB-CB 4.31Å; L1438-V1452 PolarHBondContact N-O 3.03Å; L1438-V1452 PolarHBondContact O-N 3Å; V1452-L1454 HydrophobicContact CG1-CD2 3.82Å; V1452-I1550 HydrophobicContact CG2-CG1 4.32Å; V1452-I1550 HydrophobicContact CG2-CG2 4.3Å |
| 1453 | Q | 67 | Low | 57.6 | Low | 10 Ų | 10 | 63.6 Ų | 63.6 | 5% | 0.047 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 121.5 | 175.8 | -176.4 | 162.3 | 17.8 | 0 | 0 | 109.9 | I969 I970 R971 V972 Y1437 L1455 | I969-Q1453 HydrophobicContact CG2-CB 4.09Å; I970-Q1453 PolarHBondContact O-N 3.01Å; R971-Q1453 HydrophobicContact CG-CB 4.26Å; V972-Q1453 PolarHBondContact N-O 2.95Å; Y1437-Q1453 HydrophobicContact CD1-CB 3.75Å; Y1437-Q1453 HydrophobicContact CD1-CG 4.16Å; Y1437-Q1453 HydrophobicContact CE1-CB 3.6Å; Y1437-Q1453 HydrophobicContact CE1-CG 3.75Å; Y1437-Q1453 PolarHBondContact OH-NE2 2.83Å; Q1453-L1455 WeakPolarHBondContact CG-O 3.37Å; Q1453-L1455 PolarHBondContact NE2-O 2.88Å |
| 1454 | L | 59.7 | Low | 55.5 | Low | 4 Ų | 4 | 70.5 Ų | 70.5 | 2% | 0.021 | 37% | 0.368 | C | S | . | . | trans | -101 | -27.8 | -175.7 | -60.4 | -177.5 | 0 | 0 | 0 | 113.8 | P974 S1436 L1438 V1452 L1484 V1545 | P974-L1454 WeakPolarHBondContact CD-O 3.36Å; P974-L1454 VanDerWaalsContact CG-O 3.25Å; P974-L1454 WeakPolarHBondContact CG-O 3.27Å; S1436-L1454 PolarHBondContact O-N 2.6Å; L1438-L1454 HydrophobicContact CB-CD1 3.94Å; L1438-L1454 HydrophobicContact CB-CG 4.33Å; V1452-L1454 HydrophobicContact CG1-CD2 3.82Å; L1454-L1484 HydrophobicContact CB-CD1 4.23Å; L1454-L1484 HydrophobicContact CD1-CD2 3.73Å; L1454-V1545 HydrophobicContact CD1-CG2 3.91Å; L1454-V1545 HydrophobicContact CD2-CB 4.32Å; L1454-V1545 HydrophobicContact CD2-CG1 3.71Å; L1454-V1545 HydrophobicContact CD2-CG2 3.6Å; L1454-V1545 HydrophobicContact CG-CG2 4.36Å | ||
| 1455 | L | 52.8 | Low | 53 | Low | 30 Ų | 30 | 72 Ų | 72 | 16% | 0.157 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -117.8 | 141.5 | 170.8 | -64.7 | 172.7 | 0 | 0 | 0 | 110.7 | Q1453 I1481 L1484 | Q1453-L1455 WeakPolarHBondContact CG-O 3.37Å; Q1453-L1455 PolarHBondContact NE2-O 2.88Å; L1455-I1481 HydrophobicContact CD1-CG1 4.17Å; L1455-L1484 HydrophobicContact CD1-CD1 3.81Å; L1455-L1484 HydrophobicContact CG-CD1 3.93Å |
| 1456 | P | 45.6 | Very low | 50.9 | Low | 90 Ų | 90 | 77.4 Ų | 77.4 | 58% | 0.584 | 41% | 0.413 | S | S | * | . | trans | -61.6 | 144.8 | 174 | 26.9 | -34.1 | 0 | 0 | 0 | 110.4 | ||||
| 1457 | P | 40.2 | Very low | 49.1 | Very low | 53 Ų | 53 | 81.6 Ų | 81.6 | 34% | 0.344 | 44% | 0.442 | S | S | . | . | trans | -65 | 149.8 | 177.4 | 30 | -33.1 | 0 | 0 | 0 | 110.1 | S1459 | P1457-S1459 PolarHBondContact O-N 2.94Š| ||
| 1458 | S | 37.6 | Very low | 47.4 | Very low | 85 Ų | 85 | 80.8 Ų | 80.8 | 59% | 0.594 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | 52.8 | -168.2 | 61.4 | 0 | 0 | 0 | 0 | 114.5 | ||
| 1459 | S | 34.9 | Very low | 45.7 | Very low | 92 Ų | 92 | 84 Ų | 84 | 64% | 0.643 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.7 | 2.5 | -176.4 | 56.6 | 0 | 0 | 0 | 0 | 114.8 | P1457 | P1457-S1459 PolarHBondContact O-N 2.94Š|
| 1460 | V | 34.2 | Very low | 44.3 | Very low | 81 Ų | 81 | 85.1 Ų | 85.1 | 49% | 0.491 | 49% | 0.487 | S | S | . | . | trans | -82.7 | 118.8 | 177.4 | -177 | 0 | 0 | 0 | 0 | 110.7 | T809 M1462 | T809-V1460 HydrophobicContact CG2-CG1 4.42Å; V1460-M1462 PolarHBondContact O-N 2.73Å | ||
| 1461 | N | 29.7 | Very low | 43.2 | Very low | 142 Ų | 142 | 86.7 Ų | 86.7 | 76% | 0.759 | 51% | 0.505 | S | S | * | . | trans | -73.4 | 87 | -176.3 | -80.6 | -44.2 | 0 | 0 | 0 | 113.4 | R1463 | N1461-R1463 VanDerWaalsContact C-N 3.3Å; N1461-R1463 PolarHBondContact O-N 2.76Å; N1461-R1463 VanDerWaalsContact O-N 3.11Å | ||
| 1462 | M | 29.1 | Very low | 41.9 | Very low | 157 Ų | 157 | 93.4 Ų | 93.4 | 77% | 0.773 | 54% | 0.535 | S | S | * | . | trans | -79.5 | 77.8 | 159.3 | -74 | -170.7 | 74.6 | 0 | 0 | 111 | V1460 | V1460-M1462 PolarHBondContact O-N 2.73Š| ||
| 1463 | R | 34.4 | Very low | 40.5 | Very low | 179 Ų | 179 | 97.8 Ų | 97.8 | 68% | 0.675 | 56% | 0.558 | S | S | * | * | trans | -113.3 | 87.3 | 158.9 | -84.6 | -169.4 | 176.7 | -178.5 | 0.4 | 109.6 | N1461 P1465 | N1461-R1463 VanDerWaalsContact C-N 3.3Å; N1461-R1463 PolarHBondContact O-N 2.76Å; N1461-R1463 VanDerWaalsContact O-N 3.11Å; R1463-P1465 WeakPolarHBondContact O-CD 3.39Å | ||
| 1464 | N | 34.9 | Very low | 39.2 | Very low | 146 Ų | 146 | 100.3 Ų | 100.3 | 78% | 0.781 | 58% | 0.577 | S | S | * | * | trans | -85.9 | 110.8 | 150.7 | -168.8 | 11.7 | 0 | 0 | 0 | 106.5 | N1466 | N1464-N1466 PolarHBondContact O-N 2.9Š| ||
| 1465 | P | 30.6 | Very low | 38.3 | Very low | 98 Ų | 98 | 103 Ų | 103 | 64% | 0.636 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | 116.3 | -177.3 | 29.6 | -32.1 | 0 | 0 | 0 | 109.7 | R1463 | R1463-P1465 WeakPolarHBondContact O-CD 3.39Š|
| 1466 | N | 36.1 | Very low | 37.6 | Very low | 176 Ų | 176 | 104.5 Ų | 104.5 | 94% | 0.941 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 165.7 | 1.7 | 152.9 | -85.9 | -12.9 | 0 | 0 | 0 | 114.2 | N1464 | N1464-N1466 PolarHBondContact O-N 2.9Š|
| 1467 | S | 37.8 | Very low | 37.3 | Very low | 92 Ų | 92 | 103.7 Ų | 103.7 | 64% | 0.643 | 60% | 0.598 | S | S | * | * | trans | -117.2 | 133.8 | 172.2 | 66.7 | 0 | 0 | 0 | 0 | 113.3 | N1469 | S1467-N1469 VanDerWaalsContact C-N 3.32Å; S1467-N1469 PolarHBondContact O-N 3.03Å | ||
| 1468 | S | 37.6 | Very low | 37.3 | Very low | 114 Ų | 114 | 106 Ų | 106 | 80% | 0.797 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | 9.2 | -166.2 | 37.1 | 0 | 0 | 0 | 0 | 115.7 | ||
| 1469 | N | 39.4 | Very low | 37.6 | Very low | 117 Ų | 117 | 107.6 Ų | 107.6 | 63% | 0.626 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | 4.1 | -170.5 | -68.4 | -16.8 | 0 | 0 | 0 | 115.3 | S1467 S1471 L1473 | S1467-N1469 VanDerWaalsContact C-N 3.32Å; S1467-N1469 PolarHBondContact O-N 3.03Å; N1469-S1471 PolarHBondContact O-N 2.97Å; N1469-L1473 PolarHBondContact O-N 2.97Å |
| 1470 | S | 42.2 | Very low | 38.2 | Very low | 73 Ų | 73 | 106.7 Ų | 106.7 | 51% | 0.51 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -69.8 | -22.3 | -167.2 | 55.6 | 0 | 0 | 0 | 0 | 115.9 | L1473 S1474 | S1470-L1473 PolarHBondContact O-N 3.43Å; S1470-S1474 PolarHBondContact O-N 3.31Å; S1470-S1474 VanDerWaalsContact O-N 3.08Å |
| 1471 | S | 47.7 | Very low | 38.9 | Very low | 78 Ų | 78 | 104.7 Ų | 104.7 | 55% | 0.545 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.8 | -52.8 | 177 | 55.6 | 0 | 0 | 0 | 0 | 111.8 | N1469 L1473 S1474 A1475 | N1469-S1471 PolarHBondContact O-N 2.97Å; S1471-L1473 VanDerWaalsContact C-N 3.28Å; S1471-L1473 PolarHBondContact O-N 3.33Å; S1471-S1474 PolarHBondContact O-N 3.46Å; S1471-S1474 PolarHBondContact O-OG 3.48Å; S1471-A1475 PolarHBondContact O-N 2.84Å |
| 1472 | H | 42.2 | Very low | 39.7 | Very low | 144 Ų | 144 | 105.1 Ų | 105.1 | 67% | 0.667 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -57 | -41.6 | 172.7 | -88.3 | -98.8 | 0 | 0 | 0 | 111.6 | S1474 A1475 L1476 | H1472-S1474 VanDerWaalsContact C-N 3.33Å; H1472-S1474 PolarHBondContact O-N 2.67Å; H1472-A1475 PolarHBondContact O-N 2.74Å; H1472-A1475 VanDerWaalsContact O-N 3.15Å; H1472-L1476 WeakPolarHBondContact O-CB 3.37Å; H1472-L1476 VanDerWaalsContact O-CG 3.29Å; H1472-L1476 WeakPolarHBondContact O-CG 3.48Å; H1472-L1476 PolarHBondContact O-N 2.84Å |
| 1473 | L | 37.3 | Very low | 40.9 | Very low | 93 Ų | 93 | 99.7 Ų | 99.7 | 49% | 0.487 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.5 | -41.2 | 178.9 | -131.6 | 164.2 | 0 | 0 | 0 | 111.9 | N1469 S1470 S1471 A1475 L1476 L1477 | N1469-L1473 PolarHBondContact O-N 2.97Å; S1470-L1473 PolarHBondContact O-N 3.43Å; S1471-L1473 VanDerWaalsContact C-N 3.28Å; S1471-L1473 PolarHBondContact O-N 3.33Å; L1473-A1475 PolarHBondContact O-N 3.07Å; L1473-L1476 PolarHBondContact O-N 3.49Å; L1473-L1477 HydrophobicContact CD2-CD1 3.75Å; L1473-L1477 HydrophobicContact CD2-CG 4.05Å; L1473-L1477 WeakPolarHBondContact O-CB 3.4Å; L1473-L1477 VanDerWaalsContact O-CG 3.3Å; L1473-L1477 WeakPolarHBondContact O-CG 3.48Å; L1473-L1477 PolarHBondContact O-N 2.79Å |
| 1474 | S | 39.4 | Very low | 41.8 | Very low | 62 Ų | 62 | 91.4 Ų | 91.4 | 43% | 0.434 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.9 | -32 | 175.4 | 78 | 0 | 0 | 0 | 0 | 113.9 | S1470 S1471 H1472 R1478 | S1470-S1474 PolarHBondContact O-N 3.31Å; S1470-S1474 VanDerWaalsContact O-N 3.08Å; S1471-S1474 PolarHBondContact O-N 3.46Å; S1471-S1474 PolarHBondContact O-OG 3.48Å; H1472-S1474 VanDerWaalsContact C-N 3.33Å; H1472-S1474 PolarHBondContact O-N 2.67Å; S1474-R1478 WeakPolarHBondContact O-CG 3.37Å; S1474-R1478 PolarHBondContact O-N 2.83Å |
| 1475 | A | 40.2 | Very low | 42.8 | Very low | 61 Ų | 61 | 84.6 Ų | 84.6 | 50% | 0.504 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -76.3 | -38.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S1471 H1472 L1473 R1478 R1479 | S1471-A1475 PolarHBondContact O-N 2.84Å; H1472-A1475 PolarHBondContact O-N 2.74Å; H1472-A1475 VanDerWaalsContact O-N 3.15Å; L1473-A1475 PolarHBondContact O-N 3.07Å; A1475-R1478 PolarHBondContact O-N 3.11Å; A1475-R1479 PolarHBondContact O-N 2.85Å; A1475-R1479 VanDerWaalsContact O-N 3.16Å |
| 1476 | L | 38.3 | Very low | 44 | Very low | 62 Ų | 62 | 80.1 Ų | 80.1 | 33% | 0.325 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.3 | -52.1 | 171 | -75.5 | 164.5 | 0 | 0 | 0 | 110.4 | H1472 L1473 R1478 R1479 W1480 | H1472-L1476 WeakPolarHBondContact O-CB 3.37Å; H1472-L1476 VanDerWaalsContact O-CG 3.29Å; H1472-L1476 WeakPolarHBondContact O-CG 3.48Å; H1472-L1476 PolarHBondContact O-N 2.84Å; L1473-L1476 PolarHBondContact O-N 3.49Å; L1476-R1478 VanDerWaalsContact C-N 3.29Å; L1476-R1478 PolarHBondContact O-N 3.02Å; L1476-R1479 CarbonylContact O-C 3.57Å; L1476-R1479 VanDerWaalsContact O-CA 3.27Å; L1476-R1479 WeakPolarHBondContact O-CA 3.45Å; L1476-R1479 WeakPolarHBondContact O-CB 3.24Å; L1476-R1479 PolarHBondContact O-N 2.84Å; L1476-W1480 PolarHBondContact O-N 2.75Å |
| 1477 | L | 39.1 | Very low | 45 | Very low | 72 Ų | 72 | 72 Ų | 72 | 38% | 0.377 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.1 | -36.1 | 178.6 | -72 | 166.9 | 0 | 0 | 0 | 113.2 | L1473 R1479 W1480 I1481 | L1473-L1477 HydrophobicContact CD2-CD1 3.75Å; L1473-L1477 HydrophobicContact CD2-CG 4.05Å; L1473-L1477 WeakPolarHBondContact O-CB 3.4Å; L1473-L1477 VanDerWaalsContact O-CG 3.3Å; L1473-L1477 WeakPolarHBondContact O-CG 3.48Å; L1473-L1477 PolarHBondContact O-N 2.79Å; L1477-R1479 VanDerWaalsContact C-N 3.25Å; L1477-R1479 PolarHBondContact O-N 3.07Å; L1477-W1480 HydrophobicContact CD2-CD2 4.11Å; L1477-W1480 HydrophobicContact CD2-CE3 3.81Å; L1477-W1480 HydrophobicContact CD2-CZ3 4.19Å; L1477-W1480 PolarHBondContact O-N 3.14Å; L1477-I1481 WeakPolarHBondContact O-CD1 3.48Å; L1477-I1481 WeakPolarHBondContact O-CG1 3.33Å; L1477-I1481 PolarHBondContact O-N 3.36Å |
| 1478 | R | 41.5 | Very low | 45.8 | Very low | 101 Ų | 101 | 67.9 Ų | 67.9 | 38% | 0.381 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -70.2 | -18.4 | 171.7 | -71.1 | -177.6 | -165.2 | -135.6 | 6.7 | 114 | S1474 A1475 L1476 | S1474-R1478 WeakPolarHBondContact O-CG 3.37Å; S1474-R1478 PolarHBondContact O-N 2.83Å; A1475-R1478 PolarHBondContact O-N 3.11Å; L1476-R1478 VanDerWaalsContact C-N 3.29Å; L1476-R1478 PolarHBondContact O-N 3.02Å |
| 1479 | R | 43.9 | Very low | 46.6 | Very low | 120 Ų | 120 | 64.1 Ų | 64.1 | 45% | 0.453 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -82.9 | -45.4 | 171.6 | -155.3 | 172.7 | -174.9 | 158.9 | -0.7 | 110.3 | A1475 L1476 L1477 I1481 K1482 | A1475-R1479 PolarHBondContact O-N 2.85Å; A1475-R1479 VanDerWaalsContact O-N 3.16Å; L1476-R1479 CarbonylContact O-C 3.57Å; L1476-R1479 VanDerWaalsContact O-CA 3.27Å; L1476-R1479 WeakPolarHBondContact O-CA 3.45Å; L1476-R1479 WeakPolarHBondContact O-CB 3.24Å; L1476-R1479 PolarHBondContact O-N 2.84Å; L1477-R1479 VanDerWaalsContact C-N 3.25Å; L1477-R1479 PolarHBondContact O-N 3.07Å; R1479-I1481 VanDerWaalsContact C-N 3.3Å; R1479-I1481 PolarHBondContact O-N 3.02Å; R1479-K1482 WeakPolarHBondContact O-CB 3.41Å; R1479-K1482 PolarHBondContact O-N 3.45Å |
| 1480 | W | 47.2 | Very low | 47 | Very low | 72 Ų | 72 | 58.6 Ų | 58.6 | 27% | 0.273 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -52.9 | -44.8 | 177 | -65 | 16.8 | 0 | 0 | 0 | 112.2 | L1476 L1477 K1482 E1483 D1537 I1541 | L1476-W1480 PolarHBondContact O-N 2.75Å; L1477-W1480 HydrophobicContact CD2-CD2 4.11Å; L1477-W1480 HydrophobicContact CD2-CE3 3.81Å; L1477-W1480 HydrophobicContact CD2-CZ3 4.19Å; L1477-W1480 PolarHBondContact O-N 3.14Å; W1480-K1482 PolarHBondContact O-N 2.88Å; W1480-E1483 PolarHBondContact O-N 3.06Å; W1480-D1537 VanDerWaalsContact CD1-CB 3.45Å; W1480-D1537 HydrophobicContact CD2-CB 4.06Å; W1480-D1537 HydrophobicContact CG-CB 3.92Å; W1480-D1537 HydrophobicContact CZ2-CB 4.35Å; W1480-D1537 PolarHBondContact NE1-OD1 3.11Å; W1480-D1537 PolarHBondContact NE1-OD2 3.36Å; W1480-I1541 HydrophobicContact CD2-CD1 4.49Å; W1480-I1541 HydrophobicContact CE3-CD1 4.01Å; W1480-I1541 HydrophobicContact CH2-CD1 3.29Å; W1480-I1541 HydrophobicContact CZ2-CD1 3.83Å; W1480-I1541 HydrophobicContact CZ3-CD1 3.4Å |
| 1481 | I | 47.9 | Very low | 47.1 | Very low | 40 Ų | 40 | 55.6 Ų | 55.6 | 21% | 0.205 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -18.6 | -178 | -68.9 | 165.1 | 0 | 0 | 0 | 113.3 | L1455 L1477 R1479 | L1455-I1481 HydrophobicContact CD1-CG1 4.17Å; L1477-I1481 WeakPolarHBondContact O-CD1 3.48Å; L1477-I1481 WeakPolarHBondContact O-CG1 3.33Å; L1477-I1481 PolarHBondContact O-N 3.36Å; R1479-I1481 VanDerWaalsContact C-N 3.3Å; R1479-I1481 PolarHBondContact O-N 3.02Å |
| 1482 | K | 48.1 | Very low | 46.7 | Very low | 151 Ų | 151 | 54.2 Ų | 54.2 | 66% | 0.657 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -12 | -176 | -77.7 | -171.3 | 172.1 | -172.4 | 0 | 115.4 | R1479 W1480 | R1479-K1482 WeakPolarHBondContact O-CB 3.41Å; R1479-K1482 PolarHBondContact O-N 3.45Å; W1480-K1482 PolarHBondContact O-N 2.88Å |
| 1483 | E | 53.2 | Low | 46.5 | Very low | 42 Ų | 42 | 53.3 Ų | 53.3 | 20% | 0.196 | 28% | 0.282 | C | S | . | . | trans | -118.3 | 11.8 | -160.5 | -65.3 | 174.7 | -174.5 | 0 | 0 | 114 | W1480 V1485 I1535 G1538 | W1480-E1483 PolarHBondContact O-N 3.06Å; E1483-V1485 VanDerWaalsContact O-CG2 3.26Å; E1483-V1485 WeakPolarHBondContact O-CG2 3.4Å; E1483-V1485 PolarHBondContact O-N 3.39Å; E1483-I1535 VanDerWaalsContact O-O 3.06Å; E1483-G1538 VanDerWaalsContact OE2-CA 3.23Å; E1483-G1538 WeakPolarHBondContact OE2-CA 3.43Å; E1483-G1538 PolarHBondContact OE2-N 3.36Å | ||
| 1484 | L | 53.8 | Low | 46.3 | Very low | 6 Ų | 6 | 55.3 Ų | 55.3 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | trans | -74.1 | 85.2 | -170.9 | -156.8 | 149 | 0 | 0 | 0 | 113.2 | L1414 L1454 L1455 S1534 I1535 | L1414-L1484 WeakPolarHBondContact CD1-O 3.28Å; L1454-L1484 HydrophobicContact CB-CD1 4.23Å; L1454-L1484 HydrophobicContact CD1-CD2 3.73Å; L1455-L1484 HydrophobicContact CD1-CD1 3.81Å; L1455-L1484 HydrophobicContact CG-CD1 3.93Å; L1484-S1534 WeakPolarHBondContact CD2-OG 3.49Å; L1484-S1534 VanDerWaalsContact CG-OG 3.28Å; L1484-S1534 WeakPolarHBondContact CG-OG 3.37Å; L1484-I1535 WeakPolarHBondContact CA-O 3.38Å | ||
| 1485 | V | 55 | Low | 46.2 | Very low | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.012 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 128.3 | -179.6 | -156.7 | 0 | 0 | 0 | 0 | 111.2 | L1414 F1417 L1422 E1483 L1487 S1534 I1535 | L1414-V1485 HydrophobicContact CD1-CB 3.99Å; L1414-V1485 HydrophobicContact CD1-CG1 4.18Å; L1414-V1485 HydrophobicContact CD1-CG2 3.75Å; L1414-V1485 HydrophobicContact CD2-CG2 3.73Å; L1414-V1485 HydrophobicContact CG-CG2 4.39Å; F1417-V1485 HydrophobicContact CB-CG2 4.33Å; F1417-V1485 HydrophobicContact CD2-CG2 4.19Å; L1422-V1485 HydrophobicContact CD2-CG1 3.44Å; L1422-V1485 VanDerWaalsContact CD2-CG1 3.44Å; E1483-V1485 VanDerWaalsContact O-CG2 3.26Å; E1483-V1485 WeakPolarHBondContact O-CG2 3.4Å; E1483-V1485 PolarHBondContact O-N 3.39Å; V1485-L1487 HydrophobicContact CB-CD2 4.41Å; V1485-L1487 WeakPolarHBondContact O-CD2 3.35Å; V1485-L1487 PolarHBondContact O-N 3.49Å; V1485-S1534 VanDerWaalsContact C-OG 3.22Å; V1485-S1534 PolarHBondContact N-OG 3.48Å; V1485-S1534 WeakPolarHBondContact O-CA 3.34Å; V1485-S1534 WeakPolarHBondContact O-CB 3.36Å; V1485-S1534 PolarHBondContact O-OG 3.43Å; V1485-I1535 PolarHBondContact O-N 3.23Å |
| 1486 | P | 56.3 | Low | 45.7 | Very low | 5 Ų | 5 | 57.4 Ų | 57.4 | 3% | 0.032 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 122.3 | 165.7 | 29.1 | -32.9 | 0 | 0 | 0 | 109.9 | L1424 L1438 V1532 | L1424-P1486 HydrophobicContact CD1-CB 3.9Å; L1424-P1486 HydrophobicContact CG-CB 4.46Å; L1438-P1486 HydrophobicContact CD1-CB 4.38Å; P1486-V1532 HydrophobicContact CB-CG1 4.42Å |
| 1487 | L | 56.5 | Low | 45.3 | Very low | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | -47.8 | -178.9 | -43.2 | -171.8 | 0 | 0 | 0 | 111.8 | V1006 M1419 S1421 V1485 I1533 I1535 L1542 | V1006-L1487 HydrophobicContact CB-CD1 4.33Å; V1006-L1487 HydrophobicContact CG1-CD1 4.08Å; V1006-L1487 HydrophobicContact CG2-CD1 4.23Å; M1419-L1487 HydrophobicContact CE-CB 3.9Å; M1419-L1487 WeakPolarHBondContact CE-O 3.4Å; M1419-L1487 VanDerWaalsContact SD-CA 3.59Å; M1419-L1487 HydrophobicContact SD-CB 3.65Å; M1419-L1487 HydrophobicContact SD-CD2 3.46Å; M1419-L1487 WeakPolarHBondContact SD-CD2 3.44Å; M1419-L1487 HydrophobicContact SD-CG 4.04Å; S1421-L1487 PolarHBondContact OG-O 3.12Å; V1485-L1487 HydrophobicContact CB-CD2 4.41Å; V1485-L1487 WeakPolarHBondContact O-CD2 3.35Å; V1485-L1487 PolarHBondContact O-N 3.49Å; L1487-I1533 HydrophobicContact CD1-CG2 3.67Å; L1487-I1533 HydrophobicContact CG-CG2 4.13Å; L1487-I1533 PolarHBondContact N-O 3.33Å; L1487-I1535 HydrophobicContact CD1-CD1 3.89Å; L1487-I1535 HydrophobicContact CD1-CG1 3.92Å; L1487-I1535 HydrophobicContact CD2-CB 4.01Å; L1487-I1535 HydrophobicContact CD2-CD1 3.84Å; L1487-I1535 HydrophobicContact CD2-CG1 3.87Å; L1487-I1535 HydrophobicContact CG-CG1 4.45Å; L1487-L1542 HydrophobicContact CD1-CD1 3.9Å |
| 1488 | G | 55.1 | Low | 44.9 | Very low | 7 Ų | 7 | 62.6 Ų | 62.6 | 7% | 0.072 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.4 | -178.8 | -164.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | I1533 | G1488-I1533 PolarHBondContact O-N 3.31Å; G1488-I1533 VanDerWaalsContact O-N 3.09Å |
| 1489 | I | 53.5 | Low | 44.5 | Very low | 35 Ų | 35 | 58.9 Ų | 58.9 | 18% | 0.179 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 120.9 | 175.3 | -69.2 | 167.4 | 0 | 0 | 0 | 109.2 | L1424 V1426 G1491 Y1531 V1532 | L1424-I1489 HydrophobicContact CB-CD1 4.18Å; L1424-I1489 HydrophobicContact CD1-CD1 4.11Å; L1424-I1489 HydrophobicContact CD1-CG1 3.95Å; L1424-I1489 HydrophobicContact CD2-CD1 4.17Å; L1424-I1489 HydrophobicContact CD2-CG1 4.1Å; L1424-I1489 HydrophobicContact CG-CD1 4.39Å; V1426-I1489 HydrophobicContact CG2-CD1 3.6Å; I1489-G1491 PolarHBondContact O-N 3.19Å; I1489-Y1531 CarbonylContact C-O 3.5Å; I1489-Y1531 WeakPolarHBondContact CA-O 3.41Å; I1489-V1532 HydrophobicContact CG1-CG2 4.25Å |
| 1490 | T | 48.7 | Very low | 44.3 | Very low | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -78.1 | 72.4 | 166 | 36.3 | 0 | 0 | 0 | 0 | 109.3 | C1008 G1009 Q1010 L1025 A1050 S1530 Y1531 I1533 | C1008-T1490 HydrophobicContact CB-CG2 3.58Å; G1009-T1490 WeakPolarHBondContact O-CG2 3.41Å; Q1010-T1490 PolarHBondContact NE2-O 3.17Å; L1025-T1490 WeakPolarHBondContact O-CG2 3.5Å; A1050-T1490 HydrophobicContact CB-CG2 4.39Å; T1490-S1530 WeakPolarHBondContact O-CA 3.42Å; T1490-Y1531 PolarHBondContact N-O 3.27Å; T1490-Y1531 PolarHBondContact O-N 3.08Å; T1490-Y1531 WeakPolarHBondContact OG1-CB 3.28Å; T1490-Y1531 WeakPolarHBondContact OG1-CD2 3.46Å; T1490-Y1531 PolarHBondContact OG1-O 3.24Å; T1490-I1533 HydrophobicContact CG2-CD1 3.5Å; T1490-I1533 VanDerWaalsContact CG2-CD1 3.5Å; T1490-I1533 WeakPolarHBondContact OG1-CD1 3.46Å |
| 1491 | G | 45.2 | Very low | 43.9 | Very low | 11 Ų | 11 | 55.8 Ų | 55.8 | 11% | 0.113 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -171.3 | 121.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | I1489 D1493 S1530 | I1489-G1491 PolarHBondContact O-N 3.19Å; G1491-D1493 PolarHBondContact O-N 2.93Å; G1491-D1493 VanDerWaalsContact O-N 3.16Å; G1491-S1530 WeakPolarHBondContact CA-OG 3.21Å |
| 1492 | G | 37.6 | Very low | 43.4 | Very low | 49 Ų | 49 | 55.3 Ų | 55.3 | 51% | 0.505 | 30% | 0.304 | S | S | . | . | trans | -53.4 | 121.4 | -167.2 | 0 | 0 | 0 | 0 | 0 | 113 | F1494 | G1492-F1494 PolarHBondContact O-N 2.97Š| ||
| 1493 | D | 38.7 | Very low | 42.9 | Very low | 124 Ų | 124 | 54.4 Ų | 54.4 | 66% | 0.663 | 30% | 0.297 | S | S | * | . | trans | -71.1 | 38 | 169.6 | -122.4 | -1.3 | 0 | 0 | 0 | 110.7 | R1360 G1491 E1495 | R1360-D1493 IonicContact NH2-OD2 3.32Å; G1491-D1493 PolarHBondContact O-N 2.93Å; G1491-D1493 VanDerWaalsContact O-N 3.16Å; D1493-E1495 VanDerWaalsContact C-N 3.3Å; D1493-E1495 PolarHBondContact O-N 3.41Å | ||
| 1494 | F | 33.4 | Very low | 42 | Very low | 135 Ų | 135 | 54 Ų | 54 | 59% | 0.592 | 30% | 0.296 | S | S | * | . | trans | -74.5 | 87.1 | 164.1 | -91.2 | -84.6 | 0 | 0 | 0 | 108 | P1092 G1492 S1496 | P1092-F1494 HydrophobicContact CG-CE2 4.4Å; G1492-F1494 PolarHBondContact O-N 2.97Å; F1494-S1496 PolarHBondContact O-N 3.37Å | ||
| 1495 | E | 36.4 | Very low | 40.9 | Very low | 99 Ų | 99 | 60.6 Ų | 60.6 | 46% | 0.463 | 33% | 0.33 | S | S | . | . | trans | -43.1 | 125.8 | 155.7 | -86.9 | -147.1 | 143.6 | 0 | 0 | 109.3 | D1493 S1497 S1499 | D1493-E1495 VanDerWaalsContact C-N 3.3Å; D1493-E1495 PolarHBondContact O-N 3.41Å; E1495-S1497 VanDerWaalsContact C-N 3.3Å; E1495-S1497 PolarHBondContact O-N 3.4Å; E1495-S1499 WeakPolarHBondContact CB-OG 3.45Å; E1495-S1499 WeakPolarHBondContact OE2-CB 3.42Å; E1495-S1499 PolarHBondContact OE2-OG 2.74Å | ||
| 1496 | S | 31.4 | Very low | 39.7 | Very low | 69 Ų | 69 | 63.5 Ų | 63.5 | 48% | 0.483 | 35% | 0.347 | S | S | . | . | trans | -73.6 | 78.1 | -163.5 | 44.5 | 0 | 0 | 0 | 0 | 113.6 | F1494 K1498 | F1494-S1496 PolarHBondContact O-N 3.37Å; S1496-K1498 PolarHBondContact O-N 2.81Å | ||
| 1497 | S | 29.7 | Very low | 38.5 | Very low | 102 Ų | 102 | 70.8 Ų | 70.8 | 71% | 0.713 | 39% | 0.386 | S | S | * | . | S | Bend | trans | 51.4 | 15.1 | 161.3 | 58.6 | 0 | 0 | 0 | 0 | 118.1 | E1495 | E1495-S1497 VanDerWaalsContact C-N 3.3Å; E1495-S1497 PolarHBondContact O-N 3.4Å |
| 1498 | K | 29.6 | Very low | 37.1 | Very low | 140 Ų | 140 | 81.4 Ų | 81.4 | 61% | 0.609 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -144 | -6.6 | -175.3 | -66.3 | -167.2 | 175.5 | -173.1 | 0 | 116.7 | S1496 | S1496-K1498 PolarHBondContact O-N 2.81Š|
| 1499 | S | 33 | Very low | 35.8 | Very low | 23 Ų | 23 | 87.7 Ų | 87.7 | 16% | 0.161 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -101.8 | -21.1 | -164.6 | 36.7 | 0 | 0 | 0 | 0 | 116.9 | R1270 E1495 | R1270-S1499 PolarHBondContact NE-O 3.22Å; R1270-S1499 PolarHBondContact NH2-O 3.26Å; E1495-S1499 WeakPolarHBondContact CB-OG 3.45Å; E1495-S1499 WeakPolarHBondContact OE2-CB 3.42Å; E1495-S1499 PolarHBondContact OE2-OG 2.74Å |
| 1500 | S | 39.3 | Very low | 34.7 | Very low | 52 Ų | 52 | 92.4 Ų | 92.4 | 36% | 0.364 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -122.8 | 10.9 | -173 | 54.3 | 0 | 0 | 0 | 0 | 116 | ||
| 1501 | E | 38.7 | Very low | 33.9 | Very low | 75 Ų | 75 | 100.7 Ų | 100.7 | 35% | 0.35 | 52% | 0.522 | S | S | . | . | trans | -82 | 118.9 | 170.2 | -66.5 | -171.7 | 152.4 | 0 | 0 | 111.3 | Y1503 | E1501-Y1503 HydrophobicContact CB-CD2 4.14Å; E1501-Y1503 HydrophobicContact CB-CE2 3.61Å; E1501-Y1503 VanDerWaalsContact OE2-CE2 3.27Å; E1501-Y1503 WeakPolarHBondContact OE2-CE2 3.26Å; E1501-Y1503 VanDerWaalsContact OE2-CZ 3.31Å; E1501-Y1503 PolarHBondContact OE2-OH 3.46Å | ||
| 1502 | L | 39.1 | Very low | 33 | Very low | 30 Ų | 30 | 108 Ų | 108 | 16% | 0.157 | 55% | 0.554 | C | S | . | * | B | Isolated β-bridge | trans | -100.1 | 92.1 | 177.5 | -154.3 | 155.7 | 0 | 0 | 0 | 110.3 | L1206 R1270 L1271 L1504 | L1206-L1502 HydrophobicContact CD2-CB 4.43Å; L1206-L1502 HydrophobicContact CD2-CD1 4.02Å; R1270-L1502 HydrophobicContact CB-CD1 4.24Å; L1271-L1502 HydrophobicContact CD1-CD1 4.08Å; L1271-L1502 HydrophobicContact CD2-CD1 4.2Å; L1271-L1502 HydrophobicContact CG-CD1 3.82Å; L1502-L1504 HydrophobicContact CD2-CD1 3.88Å; L1502-L1504 HydrophobicContact CD2-CG 4.01Å; L1502-L1504 PolarHBondContact O-N 3.26Å |
| 1503 | Y | 36.4 | Very low | 32.7 | Very low | 133 Ų | 133 | 115.1 Ų | 115.1 | 52% | 0.522 | 57% | 0.574 | S | S | . | * | trans | -69.4 | 95.7 | 174.3 | -70.4 | -95.3 | 0 | 0 | 0 | 110.5 | E1501 I1505 | E1501-Y1503 HydrophobicContact CB-CD2 4.14Å; E1501-Y1503 HydrophobicContact CB-CE2 3.61Å; E1501-Y1503 VanDerWaalsContact OE2-CE2 3.27Å; E1501-Y1503 WeakPolarHBondContact OE2-CE2 3.26Å; E1501-Y1503 VanDerWaalsContact OE2-CZ 3.31Å; E1501-Y1503 PolarHBondContact OE2-OH 3.46Å; Y1503-I1505 PolarHBondContact O-N 3.02Å | ||
| 1504 | L | 34.5 | Very low | 32.1 | Very low | 33 Ų | 33 | 118.7 Ų | 118.7 | 17% | 0.173 | 58% | 0.583 | C | S | . | * | trans | -69.2 | 113.5 | 170.5 | -87.8 | 115.2 | 0 | 0 | 0 | 110.1 | V1289 L1502 T1506 | V1289-L1504 HydrophobicContact CG1-CD1 4.4Å; V1289-L1504 HydrophobicContact CG1-CD2 4.02Å; L1502-L1504 HydrophobicContact CD2-CD1 3.88Å; L1502-L1504 HydrophobicContact CD2-CG 4.01Å; L1502-L1504 PolarHBondContact O-N 3.26Å; L1504-T1506 HydrophobicContact CB-CG2 4.44Å; L1504-T1506 HydrophobicContact CD2-CG2 4.31Å; L1504-T1506 PolarHBondContact O-N 3.37Å | ||
| 1505 | I | 31.3 | Very low | 31.8 | Very low | 144 Ų | 144 | 120.7 Ų | 120.7 | 74% | 0.738 | 60% | 0.599 | S | S | * | * | trans | -96.1 | 88.7 | 173.5 | -57 | 179.4 | 0 | 0 | 0 | 108.2 | Y1503 N1507 | Y1503-I1505 PolarHBondContact O-N 3.02Å; I1505-N1507 PolarHBondContact O-N 3.33Å | ||
| 1506 | T | 29.7 | Very low | 31.3 | Very low | 63 Ų | 63 | 119.7 Ų | 119.7 | 39% | 0.387 | 60% | 0.603 | S | S | . | * | trans | -95.4 | 63.4 | -177.6 | 43.4 | 0 | 0 | 0 | 0 | 112.6 | H1291 L1504 | H1291-T1506 HydrophobicContact CB-CG2 4.15Å; L1504-T1506 HydrophobicContact CB-CG2 4.44Å; L1504-T1506 HydrophobicContact CD2-CG2 4.31Å; L1504-T1506 PolarHBondContact O-N 3.37Å | ||
| 1507 | N | 31.4 | Very low | 31.3 | Very low | 158 Ų | 158 | 123 Ų | 123 | 85% | 0.845 | 62% | 0.623 | S | S | * | * | trans | -161.3 | 158 | 141.3 | -116.7 | -36.4 | 0 | 0 | 0 | 113.9 | I1505 | I1505-N1507 PolarHBondContact O-N 3.33Š| ||
| 1508 | R | 26.5 | Very low | 31.2 | Very low | 227 Ų | 227 | 124.1 Ų | 124.1 | 86% | 0.857 | 62% | 0.62 | S | S | * | * | trans | -131.4 | 97.4 | -179 | 174.5 | -171.5 | -175.6 | 172.1 | 1 | 107.5 | ||||
| 1509 | N | 28.7 | Very low | 31 | Very low | 140 Ų | 140 | 124.6 Ų | 124.6 | 75% | 0.749 | 63% | 0.627 | S | S | * | * | trans | -174.1 | 144.5 | 155.7 | -101.8 | 13.7 | 0 | 0 | 0 | 109.8 | ||||
| 1510 | D | 30.5 | Very low | 30.6 | Very low | 133 Ų | 133 | 128.1 Ų | 128.1 | 71% | 0.711 | 65% | 0.652 | S | S | * | * | trans | 61.5 | 122.8 | 149.4 | -47.5 | -32 | 0 | 0 | 0 | 122.2 | ||||
| 1511 | E | 31.8 | Very low | 29.9 | Very low | 174 Ų | 174 | 133.2 Ų | 133.2 | 81% | 0.813 | 67% | 0.672 | S | S | * | * | trans | 73.2 | 156 | 147.7 | -60.5 | -100.7 | 91.7 | 0 | 0 | 121.2 | ||||
| 1512 | Q | 26.4 | Very low | 29.1 | Very low | 166 Ų | 166 | 138.9 Ų | 138.9 | 78% | 0.776 | 70% | 0.695 | S | S | * | * | trans | -80.1 | 141 | -160.6 | -51.6 | 157.6 | 39.5 | 0 | 0 | 112.3 | ||||
| 1513 | E | 30.6 | Very low | 28.4 | Very low | 198 Ų | 198 | 142.7 Ų | 142.7 | 93% | 0.925 | 71% | 0.714 | S | S | * | * | -164.1 | 170.2 | 129 | -117.3 | 176.6 | -171.9 | 0 | 0 | 114.2 | |||||
| 1514 | K | 25 | Very low | 28 | Very low | 198 Ų | 198 | 141.6 Ų | 141.6 | 86% | 0.861 | 72% | 0.723 | S | S | * | * | trans | -97.4 | 131.3 | -175.9 | -63.8 | 168.3 | -178.2 | 165.9 | 0 | 111 | ||||
| 1515 | L | 28.8 | Very low | 27.5 | Very low | 178 Ų | 178 | 147.6 Ų | 147.6 | 93% | 0.932 | 75% | 0.754 | S | S | * | * | trans | -141.9 | 128.4 | 158.9 | -102.4 | 137.4 | 0 | 0 | 0 | 110.6 | ||||
| 1516 | S | 25.1 | Very low | 27.5 | Very low | 77 Ų | 77 | 150.4 Ų | 150.4 | 54% | 0.538 | 76% | 0.755 | S | S | . | * | trans | -94.3 | 147.3 | 176.7 | 43 | 0 | 0 | 0 | 0 | 110.7 | I1518 | S1516-I1518 VanDerWaalsContact C-N 3.3Å; S1516-I1518 PolarHBondContact O-N 3.1Å; S1516-I1518 WeakPolarHBondContact OG-CD1 3.48Å | ||
| 1517 | P | 31.6 | Very low | 27.4 | Very low | 138 Ų | 138 | 153.7 Ų | 153.7 | 90% | 0.896 | 78% | 0.775 | S | S | * | * | trans | -75.3 | 82.6 | 176 | 31 | -34.3 | 0 | 0 | 0 | 110.5 | ||||
| 1518 | I | 27 | Very low | 27.8 | Very low | 127 Ų | 127 | 147.7 Ų | 147.7 | 65% | 0.651 | 75% | 0.751 | S | S | * | * | trans | -84 | 115.5 | -177.9 | -79.9 | 176.4 | 0 | 0 | 0 | 111.3 | S1516 | S1516-I1518 VanDerWaalsContact C-N 3.3Å; S1516-I1518 PolarHBondContact O-N 3.1Å; S1516-I1518 WeakPolarHBondContact OG-CD1 3.48Å | ||
| 1519 | I | 25.9 | Very low | 28.8 | Very low | 150 Ų | 150 | 137.7 Ų | 137.7 | 77% | 0.769 | 72% | 0.718 | S | S | * | * | trans | 65.5 | 134 | 142.1 | -65.4 | 177.7 | 0 | 0 | 0 | 119.9 | ||||
| 1520 | S | 24 | Very low | 30 | Very low | 97 Ų | 97 | 132.7 Ų | 132.7 | 68% | 0.678 | 69% | 0.694 | S | S | * | * | trans | 44.9 | 105.2 | 153 | -169.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1521 | M | 24.6 | Very low | 31.4 | Very low | 159 Ų | 159 | 127.9 Ų | 127.9 | 78% | 0.783 | 67% | 0.666 | S | S | * | * | trans | -128 | 107.9 | 140.8 | -158.1 | 179.5 | -160.3 | 0 | 0 | 108 | M1523 | M1521-M1523 PolarHBondContact O-N 3.06Å; M1521-M1523 VanDerWaalsContact O-N 3.13Å | ||
| 1522 | K | 23 | Very low | 32.9 | Very low | 194 Ų | 194 | 119.7 Ų | 119.7 | 84% | 0.843 | 63% | 0.628 | S | S | * | * | trans | -59.7 | 113.9 | 177.2 | -76 | 179.9 | 175.8 | 176.5 | 0 | 108.9 | ||||
| 1523 | M | 24.5 | Very low | 34.7 | Very low | 110 Ų | 110 | 111.8 Ų | 111.8 | 54% | 0.542 | 59% | 0.591 | S | S | . | * | trans | -65.4 | 132.2 | 166 | -82.6 | -174.1 | 161.7 | 0 | 0 | 108.9 | M1521 I1525 | M1521-M1523 PolarHBondContact O-N 3.06Å; M1521-M1523 VanDerWaalsContact O-N 3.13Å; M1523-I1525 PolarHBondContact O-N 3.03Å; M1523-I1525 VanDerWaalsContact O-N 3.08Å | ||
| 1524 | P | 26.5 | Very low | 36.2 | Very low | 110 Ų | 110 | 102.5 Ų | 102.5 | 71% | 0.714 | 55% | 0.548 | S | S | * | . | trans | -67.7 | 107.8 | 166.9 | 28.2 | -31.6 | 0 | 0 | 0 | 108.1 | R1526 | P1524-R1526 PolarHBondContact O-N 3.29Š| ||
| 1525 | I | 24.4 | Very low | 38 | Very low | 159 Ų | 159 | 93.6 Ų | 93.6 | 82% | 0.815 | 51% | 0.51 | S | S | * | . | trans | -70.1 | 85.8 | 173.1 | -56.5 | 175.1 | 0 | 0 | 0 | 107.6 | M1523 T1527 | M1523-I1525 PolarHBondContact O-N 3.03Å; M1523-I1525 VanDerWaalsContact O-N 3.08Å; I1525-T1527 HydrophobicContact CG2-CG2 4.39Å | ||
| 1526 | R | 30.9 | Very low | 39.4 | Very low | 202 Ų | 202 | 85.3 Ų | 85.3 | 76% | 0.762 | 47% | 0.467 | S | S | * | . | trans | -110.3 | 93.1 | 171.6 | -79.2 | -169.6 | 169.5 | -172.5 | -2.8 | 109.2 | P1524 G1528 | P1524-R1526 PolarHBondContact O-N 3.29Å; R1526-G1528 PolarHBondContact O-N 3.27Å | ||
| 1527 | T | 28.2 | Very low | 40.8 | Very low | 132 Ų | 132 | 82.4 Ų | 82.4 | 81% | 0.81 | 45% | 0.445 | S | S | * | . | trans | -70.9 | 74.2 | 172.2 | 49.9 | 0 | 0 | 0 | 0 | 110.4 | I1525 | I1525-T1527 HydrophobicContact CG2-CG2 4.39Š| ||
| 1528 | G | 39.4 | Very low | 41.9 | Very low | 33 Ų | 33 | 76.8 Ų | 76.8 | 34% | 0.34 | 41% | 0.412 | S | S | . | . | trans | -66 | 138.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | R1526 S1530 | R1526-G1528 PolarHBondContact O-N 3.27Å; G1528-S1530 PolarHBondContact O-N 2.63Å | ||
| 1529 | G | 47.5 | Very low | 43.3 | Very low | 16 Ų | 16 | 70.8 Ų | 70.8 | 17% | 0.165 | 38% | 0.382 | C | S | . | . | trans | -68.6 | 99.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q1010 Y1531 | Q1010-G1529 PolarHBondContact NE2-O 3.09Å; G1529-Y1531 VanDerWaalsContact O-CD2 3.25Å; G1529-Y1531 WeakPolarHBondContact O-CD2 3.48Å; G1529-Y1531 WeakPolarHBondContact O-CE2 3.28Å | ||
| 1530 | S | 55 | Low | 45 | Very low | 35 Ų | 35 | 69 Ų | 69 | 25% | 0.245 | 37% | 0.365 | C | S | . | . | trans | -79.4 | 135.4 | 162.5 | -63.8 | 0 | 0 | 0 | 0 | 108.9 | T1490 G1491 G1528 V1547 | T1490-S1530 WeakPolarHBondContact O-CA 3.42Å; G1491-S1530 WeakPolarHBondContact CA-OG 3.21Å; G1528-S1530 PolarHBondContact O-N 2.63Å; S1530-V1547 WeakPolarHBondContact O-CA 3.15Å; S1530-V1547 WeakPolarHBondContact O-CB 3.33Å; S1530-V1547 WeakPolarHBondContact O-CG2 3.27Å; S1530-V1547 PolarHBondContact O-N 3.24Å | ||
| 1531 | Y | 59.8 | Low | 46.9 | Very low | 32 Ų | 32 | 65 Ų | 65 | 13% | 0.125 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 127.9 | 174.6 | -46.6 | -115.3 | 0 | 0 | 0 | 111.3 | D1051 I1489 T1490 G1529 V1544 V1545 P1546 | D1051-Y1531 PolarHBondContact OD1-OH 3.37Å; D1051-Y1531 PolarHBondContact OD2-OH 2.84Å; I1489-Y1531 CarbonylContact C-O 3.5Å; I1489-Y1531 WeakPolarHBondContact CA-O 3.41Å; T1490-Y1531 PolarHBondContact N-O 3.27Å; T1490-Y1531 PolarHBondContact O-N 3.08Å; T1490-Y1531 WeakPolarHBondContact OG1-CB 3.28Å; T1490-Y1531 WeakPolarHBondContact OG1-CD2 3.46Å; T1490-Y1531 PolarHBondContact OG1-O 3.24Å; G1529-Y1531 VanDerWaalsContact O-CD2 3.25Å; G1529-Y1531 WeakPolarHBondContact O-CD2 3.48Å; G1529-Y1531 WeakPolarHBondContact O-CE2 3.28Å; Y1531-V1544 HydrophobicContact CD1-CG1 3.95Å; Y1531-V1544 HydrophobicContact CG-CG1 4.1Å; Y1531-V1545 CarbonylContact C-O 3.56Å; Y1531-V1545 VanDerWaalsContact CA-O 3.29Å; Y1531-V1545 WeakPolarHBondContact CA-O 3.47Å; Y1531-P1546 HydrophobicContact CD1-CB 3.63Å; Y1531-P1546 HydrophobicContact CD1-CG 4.25Å; Y1531-P1546 HydrophobicContact CE1-CB 3.77Å; Y1531-P1546 HydrophobicContact CE1-CG 4.37Å; Y1531-P1546 HydrophobicContact CG-CB 4.48Å |
| 1532 | V | 63 | Low | 49 | Very low | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.012 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 128 | 167.9 | -174.3 | 0 | 0 | 0 | 0 | 108.4 | L1424 L1438 P1486 I1489 V1545 V1547 I1550 | L1424-V1532 HydrophobicContact CD1-CG1 3.7Å; L1424-V1532 HydrophobicContact CD1-CG2 4.37Å; L1438-V1532 HydrophobicContact CD1-CG1 4.07Å; L1438-V1532 HydrophobicContact CD2-CB 4.32Å; L1438-V1532 HydrophobicContact CD2-CG1 4.15Å; L1438-V1532 HydrophobicContact CD2-CG2 4.04Å; P1486-V1532 HydrophobicContact CB-CG1 4.42Å; I1489-V1532 HydrophobicContact CG1-CG2 4.25Å; V1532-V1545 HydrophobicContact CB-CB 4.32Å; V1532-V1545 PolarHBondContact N-O 3.35Å; V1532-V1545 WeakPolarHBondContact O-CB 3.26Å; V1532-V1545 PolarHBondContact O-N 3.18Å; V1532-V1547 HydrophobicContact CG2-CG2 3.66Å; V1532-I1550 HydrophobicContact CG2-CD1 3.98Å |
| 1533 | I | 63.9 | Low | 51.1 | Low | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 147.3 | 177.9 | -62.8 | 142.2 | 0 | 0 | 0 | 109.4 | C1008 L1026 L1487 G1488 T1490 L1542 V1543 V1544 | C1008-I1533 VanDerWaalsContact SG-CD1 3.56Å; L1026-I1533 HydrophobicContact CD1-CD1 3.73Å; L1026-I1533 HydrophobicContact CD1-CG1 4.43Å; L1026-I1533 HydrophobicContact CD1-CG2 4.16Å; L1487-I1533 HydrophobicContact CD1-CG2 3.67Å; L1487-I1533 HydrophobicContact CG-CG2 4.13Å; L1487-I1533 PolarHBondContact N-O 3.33Å; G1488-I1533 PolarHBondContact O-N 3.31Å; G1488-I1533 VanDerWaalsContact O-N 3.09Å; T1490-I1533 HydrophobicContact CG2-CD1 3.5Å; T1490-I1533 VanDerWaalsContact CG2-CD1 3.5Å; T1490-I1533 WeakPolarHBondContact OG1-CD1 3.46Å; I1533-L1542 HydrophobicContact CG2-CD1 3.79Å; I1533-L1542 HydrophobicContact CG2-CD2 3.66Å; I1533-L1542 HydrophobicContact CG2-CG 3.66Å; I1533-V1543 CarbonylContact C-O 3.6Å; I1533-V1543 WeakPolarHBondContact CA-O 3.39Å; I1533-V1544 HydrophobicContact CG1-CB 4.44Å; I1533-V1544 HydrophobicContact CG1-CG1 3.93Å; I1533-V1544 HydrophobicContact CG1-CG2 4.17Å; I1533-V1544 HydrophobicContact CG2-CG2 4.5Å |
| 1534 | S | 62.1 | Low | 53.3 | Low | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 162.6 | 178.9 | -174.1 | 0 | 0 | 0 | 0 | 112.8 | L1484 V1485 L1542 V1543 | L1484-S1534 WeakPolarHBondContact CD2-OG 3.49Å; L1484-S1534 VanDerWaalsContact CG-OG 3.28Å; L1484-S1534 WeakPolarHBondContact CG-OG 3.37Å; V1485-S1534 VanDerWaalsContact C-OG 3.22Å; V1485-S1534 PolarHBondContact N-OG 3.48Å; V1485-S1534 WeakPolarHBondContact O-CA 3.34Å; V1485-S1534 WeakPolarHBondContact O-CB 3.36Å; V1485-S1534 PolarHBondContact O-OG 3.43Å; S1534-L1542 CarbonylContact O-C 3.56Å; S1534-L1542 VanDerWaalsContact O-CA 3.32Å; S1534-L1542 WeakPolarHBondContact O-CA 3.33Å; S1534-V1543 PolarHBondContact N-O 3.3Å; S1534-V1543 PolarHBondContact O-N 3.33Å |
| 1535 | I | 63.6 | Low | 55.2 | Low | 12 Ų | 12 | 37.9 Ų | 37.9 | 6% | 0.062 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 146 | 174.1 | -84.1 | 166.7 | 0 | 0 | 0 | 110.4 | E1483 L1484 V1485 L1487 I1541 L1542 | E1483-I1535 VanDerWaalsContact O-O 3.06Å; L1484-I1535 WeakPolarHBondContact CA-O 3.38Å; V1485-I1535 PolarHBondContact O-N 3.23Å; L1487-I1535 HydrophobicContact CD1-CD1 3.89Å; L1487-I1535 HydrophobicContact CD1-CG1 3.92Å; L1487-I1535 HydrophobicContact CD2-CB 4.01Å; L1487-I1535 HydrophobicContact CD2-CD1 3.84Å; L1487-I1535 HydrophobicContact CD2-CG1 3.87Å; L1487-I1535 HydrophobicContact CG-CG1 4.45Å; I1535-I1541 CarbonylContact C-O 3.54Å; I1535-I1541 WeakPolarHBondContact CA-O 3.24Å; I1535-L1542 HydrophobicContact CG1-CD1 4.36Å |
| 1536 | A | 57.8 | Low | 57.1 | Low | 4 Ų | 4 | 32 Ų | 32 | 3% | 0.033 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 174.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G1538 G1539 R1540 I1541 V1543 | A1536-G1538 PolarHBondContact O-N 3.31Å; A1536-G1539 PolarHBondContact O-N 3.01Å; A1536-R1540 PolarHBondContact O-N 2.88Å; A1536-R1540 VanDerWaalsContact O-N 3.09Å; A1536-I1541 HydrophobicContact CB-CB 4.4Å; A1536-I1541 PolarHBondContact N-O 2.87Å; A1536-I1541 PolarHBondContact O-N 3.41Å; A1536-I1541 VanDerWaalsContact O-N 3.13Å; A1536-V1543 HydrophobicContact CB-CG2 4.21Å |
| 1537 | D | 55.2 | Low | 58.6 | Low | 15 Ų | 15 | 23 Ų | 23 | 8% | 0.08 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 43.1 | 60.8 | -174.9 | -167.4 | 35.2 | 0 | 0 | 0 | 114.6 | W1480 G1539 R1540 I1541 | W1480-D1537 VanDerWaalsContact CD1-CB 3.45Å; W1480-D1537 HydrophobicContact CD2-CB 4.06Å; W1480-D1537 HydrophobicContact CG-CB 3.92Å; W1480-D1537 HydrophobicContact CZ2-CB 4.35Å; W1480-D1537 PolarHBondContact NE1-OD1 3.11Å; W1480-D1537 PolarHBondContact NE1-OD2 3.36Å; D1537-G1539 PolarHBondContact O-N 2.85Å; D1537-R1540 HydrophobicContact CB-CB 4.16Å; D1537-R1540 VanDerWaalsContact O-CB 3.29Å; D1537-R1540 WeakPolarHBondContact O-CB 3.35Å; D1537-R1540 VanDerWaalsContact O-CD 3.27Å; D1537-R1540 WeakPolarHBondContact O-CD 3.44Å; D1537-R1540 VanDerWaalsContact O-CG 3.27Å; D1537-R1540 WeakPolarHBondContact O-CG 3.37Å; D1537-R1540 PolarHBondContact O-N 2.72Å; D1537-R1540 VanDerWaalsContact O-N 3.07Å; D1537-R1540 IonicContact OD1-NH1 2.88Å; D1537-R1540 WeakPolarHBondContact OD2-CD 3.39Å; D1537-R1540 IonicContact OD2-CZ 3.66Å; D1537-R1540 IonicContact OD2-NE 3.52Å; D1537-R1540 IonicContact OD2-NH1 3.77Å; D1537-R1540 PolarHBondContact OD2-NH1 2.91Å; D1537-I1541 HydrophobicContact CB-CG1 4.43Å |
| 1538 | G | 53.9 | Low | 60.1 | Low | 20 Ų | 20 | 20.5 Ų | 20.5 | 21% | 0.206 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 20.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115 | S1001 E1483 A1536 | S1001-G1538 VanDerWaalsContact CB-O 3.23Å; S1001-G1538 WeakPolarHBondContact CB-O 3.44Å; E1483-G1538 VanDerWaalsContact OE2-CA 3.23Å; E1483-G1538 WeakPolarHBondContact OE2-CA 3.43Å; E1483-G1538 PolarHBondContact OE2-N 3.36Å; A1536-G1538 PolarHBondContact O-N 3.31Å |
| 1539 | G | 55.9 | Low | 60.9 | Low | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | 38.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | W1004 A1536 D1537 | W1004-G1539 WeakPolarHBondContact CZ2-O 3.37Å; W1004-G1539 PolarHBondContact NE1-O 3.25Å; A1536-G1539 PolarHBondContact O-N 3.01Å; D1537-G1539 PolarHBondContact O-N 2.85Å |
| 1540 | R | 61.3 | Low | 61.3 | Low | 113 Ų | 113 | 20.9 Ų | 20.9 | 43% | 0.426 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | -18.9 | 175.9 | -68.1 | 163.6 | 166.4 | -176 | -4.3 | 114.2 | L979 V980 A1536 D1537 | L979-R1540 WeakPolarHBondContact CB-O 3.44Å; L979-R1540 PolarHBondContact N-O 2.94Å; V980-R1540 HydrophobicContact CG2-CG 4.24Å; A1536-R1540 PolarHBondContact O-N 2.88Å; A1536-R1540 VanDerWaalsContact O-N 3.09Å; D1537-R1540 HydrophobicContact CB-CB 4.16Å; D1537-R1540 VanDerWaalsContact O-CB 3.29Å; D1537-R1540 WeakPolarHBondContact O-CB 3.35Å; D1537-R1540 VanDerWaalsContact O-CD 3.27Å; D1537-R1540 WeakPolarHBondContact O-CD 3.44Å; D1537-R1540 VanDerWaalsContact O-CG 3.27Å; D1537-R1540 WeakPolarHBondContact O-CG 3.37Å; D1537-R1540 PolarHBondContact O-N 2.72Å; D1537-R1540 VanDerWaalsContact O-N 3.07Å; D1537-R1540 IonicContact OD1-NH1 2.88Å; D1537-R1540 WeakPolarHBondContact OD2-CD 3.39Å; D1537-R1540 IonicContact OD2-CZ 3.66Å; D1537-R1540 IonicContact OD2-NE 3.52Å; D1537-R1540 IonicContact OD2-NH1 3.77Å; D1537-R1540 PolarHBondContact OD2-NH1 2.91Å |
| 1541 | I | 64.4 | Low | 61.2 | Low | 13 Ų | 13 | 24.1 Ų | 24.1 | 7% | 0.067 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 138.9 | -178.9 | -55.8 | -175.6 | 0 | 0 | 0 | 108.4 | T976 I977 D978 W1480 I1535 A1536 D1537 V1543 | T976-I1541 HydrophobicContact CG2-CG2 4.44Å; I977-I1541 CarbonylContact O-C 3.5Å; I977-I1541 WeakPolarHBondContact O-CA 3.16Å; D978-I1541 WeakPolarHBondContact OD1-CD1 3.41Å; D978-I1541 WeakPolarHBondContact OD1-CG1 2.74Å; W1480-I1541 HydrophobicContact CD2-CD1 4.49Å; W1480-I1541 HydrophobicContact CE3-CD1 4.01Å; W1480-I1541 HydrophobicContact CH2-CD1 3.29Å; W1480-I1541 HydrophobicContact CZ2-CD1 3.83Å; W1480-I1541 HydrophobicContact CZ3-CD1 3.4Å; I1535-I1541 CarbonylContact C-O 3.54Å; I1535-I1541 WeakPolarHBondContact CA-O 3.24Å; A1536-I1541 HydrophobicContact CB-CB 4.4Å; A1536-I1541 PolarHBondContact N-O 2.87Å; A1536-I1541 PolarHBondContact O-N 3.41Å; A1536-I1541 VanDerWaalsContact O-N 3.13Å; D1537-I1541 HydrophobicContact CB-CG1 4.43Å; I1541-V1543 HydrophobicContact CG2-CG2 4.31Å |
| 1542 | L | 69.1 | Low | 60.7 | Low | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 135.1 | 176.1 | -176.5 | 135.9 | 0 | 0 | 0 | 109.6 | T976 I977 L979 L1026 V1028 L1487 I1533 S1534 I1535 V1544 | T976-L1542 WeakPolarHBondContact CA-O 3.39Å; I977-L1542 HydrophobicContact CB-CB 4.4Å; I977-L1542 HydrophobicContact CB-CD2 4.46Å; I977-L1542 HydrophobicContact CD1-CD2 3.95Å; I977-L1542 PolarHBondContact N-O 3.03Å; I977-L1542 PolarHBondContact O-N 3.03Å; L979-L1542 HydrophobicContact CD1-CB 4.36Å; L979-L1542 HydrophobicContact CD2-CB 4.25Å; L979-L1542 HydrophobicContact CG-CB 4.34Å; L1026-L1542 HydrophobicContact CD1-CD1 4.46Å; L1026-L1542 HydrophobicContact CD2-CD1 3.78Å; L1026-L1542 HydrophobicContact CD2-CD2 3.39Å; L1026-L1542 HydrophobicContact CD2-CG 4.22Å; V1028-L1542 HydrophobicContact CG2-CD1 4.39Å; L1487-L1542 HydrophobicContact CD1-CD1 3.9Å; I1533-L1542 HydrophobicContact CG2-CD1 3.79Å; I1533-L1542 HydrophobicContact CG2-CD2 3.66Å; I1533-L1542 HydrophobicContact CG2-CG 3.66Å; S1534-L1542 CarbonylContact O-C 3.56Å; S1534-L1542 VanDerWaalsContact O-CA 3.32Å; S1534-L1542 WeakPolarHBondContact O-CA 3.33Å; I1535-L1542 HydrophobicContact CG1-CD1 4.36Å; L1542-V1544 HydrophobicContact CD2-CG2 3.56Å |
| 1543 | V | 67.5 | Low | 59.4 | Low | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 104.1 | -161.1 | -179.4 | 0 | 0 | 0 | 0 | 107.8 | P974 L975 T976 I1533 S1534 A1536 I1541 | P974-V1543 HydrophobicContact CB-CG1 3.4Å; P974-V1543 VanDerWaalsContact CB-CG1 3.4Å; P974-V1543 HydrophobicContact CG-CG1 3.76Å; L975-V1543 WeakPolarHBondContact O-CA 3.45Å; T976-V1543 HydrophobicContact CG2-CG2 4.44Å; I1533-V1543 CarbonylContact C-O 3.6Å; I1533-V1543 WeakPolarHBondContact CA-O 3.39Å; S1534-V1543 PolarHBondContact N-O 3.3Å; S1534-V1543 PolarHBondContact O-N 3.33Å; A1536-V1543 HydrophobicContact CB-CG2 4.21Å; I1541-V1543 HydrophobicContact CG2-CG2 4.31Å |
| 1544 | V | 69.3 | Low | 59.2 | Low | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 135.1 | -174.5 | -168.6 | 0 | 0 | 0 | 0 | 110.7 | P974 L975 I977 A1050 Y1531 I1533 L1542 | P974-V1544 WeakPolarHBondContact CA-O 3.4Å; L975-V1544 HydrophobicContact CB-CB 4.18Å; L975-V1544 HydrophobicContact CD2-CB 4.28Å; L975-V1544 PolarHBondContact N-O 3.48Å; L975-V1544 PolarHBondContact O-N 3.39Å; I977-V1544 HydrophobicContact CD1-CG2 3.95Å; A1050-V1544 HydrophobicContact CB-CG1 4.27Å; Y1531-V1544 HydrophobicContact CD1-CG1 3.95Å; Y1531-V1544 HydrophobicContact CG-CG1 4.1Å; I1533-V1544 HydrophobicContact CG1-CB 4.44Å; I1533-V1544 HydrophobicContact CG1-CG1 3.93Å; I1533-V1544 HydrophobicContact CG1-CG2 4.17Å; I1533-V1544 HydrophobicContact CG2-CG2 4.5Å; L1542-V1544 HydrophobicContact CD2-CG2 3.56Å |
| 1545 | V | 66.7 | Low | 59.1 | Low | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 105.3 | -169.4 | -170 | 0 | 0 | 0 | 0 | 110 | V972 P974 L1454 Y1531 V1532 V1547 | V972-V1545 HydrophobicContact CB-CG1 4.43Å; V972-V1545 HydrophobicContact CG1-CG1 3.85Å; P974-V1545 HydrophobicContact CB-CG2 4.13Å; L1454-V1545 HydrophobicContact CD1-CG2 3.91Å; L1454-V1545 HydrophobicContact CD2-CB 4.32Å; L1454-V1545 HydrophobicContact CD2-CG1 3.71Å; L1454-V1545 HydrophobicContact CD2-CG2 3.6Å; L1454-V1545 HydrophobicContact CG-CG2 4.36Å; Y1531-V1545 CarbonylContact C-O 3.56Å; Y1531-V1545 VanDerWaalsContact CA-O 3.29Å; Y1531-V1545 WeakPolarHBondContact CA-O 3.47Å; V1532-V1545 HydrophobicContact CB-CB 4.32Å; V1532-V1545 PolarHBondContact N-O 3.35Å; V1532-V1545 WeakPolarHBondContact O-CB 3.26Å; V1532-V1545 PolarHBondContact O-N 3.18Å; V1545-V1547 PolarHBondContact O-N 3.13Å |
| 1546 | P | 64.4 | Low | 58.8 | Low | 34 Ų | 34 | 36.7 Ų | 36.7 | 22% | 0.221 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 120.7 | 179 | 15.8 | -24.8 | 0 | 0 | 0 | 112.1 | Y1531 S1548 T1549 | Y1531-P1546 HydrophobicContact CD1-CB 3.63Å; Y1531-P1546 HydrophobicContact CD1-CG 4.25Å; Y1531-P1546 HydrophobicContact CE1-CB 3.77Å; Y1531-P1546 HydrophobicContact CE1-CG 4.37Å; Y1531-P1546 HydrophobicContact CG-CB 4.48Å; P1546-S1548 PolarHBondContact O-N 2.75Å; P1546-T1549 HydrophobicContact CB-CG2 4.43Å; P1546-T1549 HydrophobicContact CG-CG2 3.93Å; P1546-T1549 WeakPolarHBondContact O-CB 3.47Å; P1546-T1549 PolarHBondContact O-N 2.92Å; P1546-T1549 PolarHBondContact O-OG1 3.39Å |
| 1547 | V | 62.7 | Low | 58.9 | Low | 13 Ų | 13 | 38.6 Ų | 38.6 | 8% | 0.079 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -60 | -24.4 | 177.6 | 178.4 | 0 | 0 | 0 | 0 | 111.5 | V1426 S1530 V1532 V1545 T1549 I1550 F1552 | V1426-V1547 HydrophobicContact CG1-CG1 4.25Å; S1530-V1547 WeakPolarHBondContact O-CA 3.15Å; S1530-V1547 WeakPolarHBondContact O-CB 3.33Å; S1530-V1547 WeakPolarHBondContact O-CG2 3.27Å; S1530-V1547 PolarHBondContact O-N 3.24Å; V1532-V1547 HydrophobicContact CG2-CG2 3.66Å; V1545-V1547 PolarHBondContact O-N 3.13Å; V1547-T1549 PolarHBondContact O-N 3.23Å; V1547-T1549 VanDerWaalsContact O-N 3.16Å; V1547-I1550 CarbonylContact O-C 3.57Å; V1547-I1550 VanDerWaalsContact O-C 3.24Å; V1547-I1550 VanDerWaalsContact O-CA 3.25Å; V1547-I1550 WeakPolarHBondContact O-CA 3.3Å; V1547-I1550 WeakPolarHBondContact O-CB 3.21Å; V1547-I1550 PolarHBondContact O-N 3.16Å; V1547-F1552 HydrophobicContact CG1-CE2 4.08Å |
| 1548 | S | 59.3 | Low | 59.1 | Low | 81 Ų | 81 | 40.1 Ų | 40.1 | 57% | 0.566 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | -58.7 | -23.4 | 172.1 | 54.2 | 0 | 0 | 0 | 0 | 113.7 | P1546 | P1546-S1548 PolarHBondContact O-N 2.75Š|
| 1549 | T | 56.8 | Low | 59.4 | Low | 54 Ų | 54 | 41.4 Ų | 41.4 | 33% | 0.331 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -78.3 | -29 | 169.6 | 68 | 0 | 0 | 0 | 0 | 112.3 | V972 P1546 V1547 K1551 | V972-T1549 HydrophobicContact CG1-CG2 4.24Å; V972-T1549 WeakPolarHBondContact CG2-OG1 3.4Å; P1546-T1549 HydrophobicContact CB-CG2 4.43Å; P1546-T1549 HydrophobicContact CG-CG2 3.93Å; P1546-T1549 WeakPolarHBondContact O-CB 3.47Å; P1546-T1549 PolarHBondContact O-N 2.92Å; P1546-T1549 PolarHBondContact O-OG1 3.39Å; V1547-T1549 PolarHBondContact O-N 3.23Å; V1547-T1549 VanDerWaalsContact O-N 3.16Å; T1549-K1551 PolarHBondContact O-N 3.24Å |
| 1550 | I | 56.3 | Low | 59.7 | Low | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.015 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -82.4 | 60.8 | 172.8 | -40.4 | 175.6 | 0 | 0 | 0 | 108.4 | L1438 V1440 V1452 V1532 V1547 F1552 | L1438-I1550 HydrophobicContact CD2-CD1 3.58Å; V1440-I1550 HydrophobicContact CG2-CG2 4.01Å; V1452-I1550 HydrophobicContact CG2-CG1 4.32Å; V1452-I1550 HydrophobicContact CG2-CG2 4.3Å; V1532-I1550 HydrophobicContact CG2-CD1 3.98Å; V1547-I1550 CarbonylContact O-C 3.57Å; V1547-I1550 VanDerWaalsContact O-C 3.24Å; V1547-I1550 VanDerWaalsContact O-CA 3.25Å; V1547-I1550 WeakPolarHBondContact O-CA 3.3Å; V1547-I1550 WeakPolarHBondContact O-CB 3.21Å; V1547-I1550 PolarHBondContact O-N 3.16Å; I1550-F1552 HydrophobicContact CB-CZ 4.38Å; I1550-F1552 HydrophobicContact CG2-CE1 3.84Å; I1550-F1552 HydrophobicContact CG2-CZ 3.76Å; I1550-F1552 WeakPolarHBondContact O-CD2 3.04Å; I1550-F1552 WeakPolarHBondContact O-CE2 3.49Å; I1550-F1552 PolarHBondContact O-N 3.5Å |
| 1551 | K | 52.6 | Low | 59.6 | Low | 102 Ų | 102 | 39 Ų | 39 | 44% | 0.443 | 22% | 0.215 | S | C | . | . | trans | -58.3 | 139.7 | 172.9 | -74.7 | -154.8 | 162.8 | -169.8 | 0 | 110.1 | H796 R1450 T1549 | H796-K1551 VanDerWaalsContact NE2-CE 3.26Å; H796-K1551 WeakPolarHBondContact NE2-CE 3.45Å; H796-K1551 PolarHBondContact NE2-NZ 3.44Å; R1450-K1551 WeakPolarHBondContact CD-O 3.49Å; R1450-K1551 PolarHBondContact NH1-O 2.89Å; T1549-K1551 PolarHBondContact O-N 3.24Å | ||
| 1552 | F | 49.1 | Very low | 59.2 | Low | 40 Ų | 40 | 41.2 Ų | 41.2 | 18% | 0.175 | 23% | 0.227 | C | C | . | . | trans | -107.6 | 114.3 | 175.8 | -61.5 | -68.4 | 0 | 0 | 0 | 108.1 | V1426 D1427 R1429 V1440 V1547 I1550 | V1426-F1552 HydrophobicContact CB-CE2 3.84Å; V1426-F1552 HydrophobicContact CB-CZ 3.85Å; V1426-F1552 HydrophobicContact CG1-CD2 4.35Å; V1426-F1552 HydrophobicContact CG1-CE2 3.51Å; V1426-F1552 HydrophobicContact CG1-CZ 4.05Å; D1427-F1552 WeakPolarHBondContact OD2-CD2 3.31Å; R1429-F1552 VanDerWaalsContact CD-CD1 3.49Å; V1440-F1552 HydrophobicContact CG1-CD1 4.21Å; V1440-F1552 HydrophobicContact CG1-CE1 3.76Å; V1440-F1552 HydrophobicContact CG2-CE1 4.01Å; V1547-F1552 HydrophobicContact CG1-CE2 4.08Å; I1550-F1552 HydrophobicContact CB-CZ 4.38Å; I1550-F1552 HydrophobicContact CG2-CE1 3.84Å; I1550-F1552 HydrophobicContact CG2-CZ 3.76Å; I1550-F1552 WeakPolarHBondContact O-CD2 3.04Å; I1550-F1552 WeakPolarHBondContact O-CE2 3.49Å; I1550-F1552 PolarHBondContact O-N 3.5Å | ||
| 1553 | D | 36.3 | Very low | 58.3 | Low | 163 Ų | 163 | 44.9 Ų | 44.9 | 87% | 0.872 | 25% | 0.248 | S | C | * | . | trans | -78.2 | 0 | 167.7 | -45.5 | -26.6 | 0 | 0 | 0 | 109.5 | R1429 R1450 | R1429-D1553 PolarHBondContact NH1-O 3.26Å; R1429-D1553 PolarHBondContact NH2-O 3.2Å; R1450-D1553 IonicContact CZ-OD1 2.71Å; R1450-D1553 IonicContact CZ-OD2 3.43Å; R1450-D1553 IonicContact NE-OD2 3.13Å; R1450-D1553 IonicContact NH1-OD1 3.47Å; R1450-D1553 IonicContact NH2-OD1 2.95Å; R1450-D1553 PolarHBondContact NH2-OD1 3.47Å; R1450-D1553 IonicContact NH2-OD2 2.75Å; R1450-D1553 PolarHBondContact NH2-OD2 3.24Å |
Retrieved 1,553 of 1,553 residues in 611.3 ms
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