| 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 | 44.8 | Very low | 40.2 | Very low | 222 Ų | 222 | 128.5 Ų | 128.5 | 100% | 1.094 | 69% | 0.688 | S | S | * | * | 0 | -26 | 0 | -91.9 | 170.9 | 70.2 | 0 | 0 | 115.7 | |||||
| 2 | K | 42.3 | Very low | 40 | Very low | 196 Ų | 196 | 128.1 Ų | 128.1 | 85% | 0.852 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -80.5 | -15.3 | -179.9 | -78.1 | -177.6 | 175.6 | 178.8 | 0 | 116.3 | ||
| 3 | V | 42.7 | Very low | 39.8 | Very low | 111 Ų | 111 | 126.3 Ų | 126.3 | 67% | 0.673 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -86.4 | -27.6 | -178.5 | -179.5 | 0 | 0 | 0 | 0 | 112.7 | L7 | V3-L7 HydrophobicContact CG1-CD1 4.42Å |
| 4 | L | 37.7 | Very low | 39.1 | Very low | 135 Ų | 135 | 120.3 Ų | 120.3 | 71% | 0.707 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -71.7 | -31 | 178.1 | -111.6 | 84.7 | 0 | 0 | 0 | 113.4 | Q8 | L4-Q8 PolarHBondContact O-N 3.08Å |
| 5 | C | 40 | Very low | 38.9 | Very low | 85 Ų | 85 | 121.6 Ų | 121.6 | 57% | 0.574 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -71.7 | -29.4 | 177.9 | -83.2 | 0 | 0 | 0 | 0 | 113.5 | L9 | C5-L9 PolarHBondContact O-N 2.74Å |
| 6 | M | 39 | Very low | 39.3 | Very low | 155 Ų | 155 | 118.8 Ų | 118.8 | 76% | 0.764 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -75.6 | -33.1 | 176.8 | -82.7 | -153.7 | -176.1 | 0 | 0 | 112.6 | L9 A10 | M6-L9 PolarHBondContact O-N 2.91Å; M6-A10 PolarHBondContact O-N 3.3Å; M6-A10 VanDerWaalsContact O-N 3.1Å |
| 7 | L | 39.1 | Very low | 39.5 | Very low | 115 Ų | 115 | 114.9 Ų | 114.9 | 60% | 0.602 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -68.8 | -35.6 | 173.9 | -97.1 | 108 | 0 | 0 | 0 | 112.5 | V3 A10 C11 | V3-L7 HydrophobicContact CG1-CD1 4.42Å; L7-A10 PolarHBondContact O-N 2.72Å; L7-C11 WeakPolarHBondContact O-CB 3.49Å; L7-C11 PolarHBondContact O-N 3.03Å; L7-C11 PolarHBondContact O-SG 2.89Å |
| 8 | Q | 38.8 | Very low | 40 | Very low | 129 Ų | 129 | 111.4 Ų | 111.4 | 60% | 0.603 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -68.7 | -33.6 | 175.2 | -78.7 | -174.8 | -29.1 | 0 | 0 | 112.9 | L4 L12 | L4-Q8 PolarHBondContact O-N 3.08Å; Q8-L12 WeakPolarHBondContact O-CG 3.34Å; Q8-L12 PolarHBondContact O-N 2.83Å; Q8-L12 VanDerWaalsContact O-N 3.11Å |
| 9 | L | 41.7 | Very low | 40.5 | Very low | 126 Ų | 126 | 113.6 Ų | 113.6 | 66% | 0.66 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -71 | -39.4 | 174.8 | -121.4 | 83.7 | 0 | 0 | 0 | 112.4 | C5 M6 L12 V13 | C5-L9 PolarHBondContact O-N 2.74Å; M6-L9 PolarHBondContact O-N 2.91Å; L9-L12 PolarHBondContact O-N 2.73Å; L9-V13 WeakPolarHBondContact O-CG2 3.46Å; L9-V13 PolarHBondContact O-N 2.99Å |
| 10 | A | 38.2 | Very low | 41.1 | Very low | 69 Ų | 69 | 109.7 Ų | 109.7 | 57% | 0.57 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67.2 | -36.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | M6 L7 G14 | M6-A10 PolarHBondContact O-N 3.3Å; M6-A10 VanDerWaalsContact O-N 3.1Å; L7-A10 PolarHBondContact O-N 2.72Å; A10-G14 PolarHBondContact O-N 3.31Å |
| 11 | C | 37.5 | Very low | 41.7 | Very low | 70 Ų | 70 | 113.1 Ų | 113.1 | 47% | 0.473 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -65.9 | -41 | 173.9 | -74.8 | 0 | 0 | 0 | 0 | 112.4 | L7 V13 G14 F15 | L7-C11 WeakPolarHBondContact O-CB 3.49Å; L7-C11 PolarHBondContact O-N 3.03Å; L7-C11 PolarHBondContact O-SG 2.89Å; C11-V13 PolarHBondContact O-N 3.42Å; C11-G14 PolarHBondContact O-N 3.46Å; C11-F15 VanDerWaalsContact O-CD2 3.28Å; C11-F15 WeakPolarHBondContact O-CD2 3.18Å; C11-F15 PolarHBondContact O-N 3.13Å |
| 12 | L | 37.8 | Very low | 42.6 | Very low | 124 Ų | 124 | 108.2 Ų | 108.2 | 65% | 0.649 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65.7 | -36.7 | 179.5 | -81.2 | 160.4 | 0 | 0 | 0 | 113.2 | Q8 L9 S16 | Q8-L12 WeakPolarHBondContact O-CG 3.34Å; Q8-L12 PolarHBondContact O-N 2.83Å; Q8-L12 VanDerWaalsContact O-N 3.11Å; L9-L12 PolarHBondContact O-N 2.73Å; L12-S16 PolarHBondContact O-N 3.08Å |
| 13 | V | 37.4 | Very low | 43.8 | Very low | 105 Ų | 105 | 102.6 Ų | 102.6 | 64% | 0.636 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -72.2 | -37.1 | 174.3 | -179.5 | 0 | 0 | 0 | 0 | 111 | L9 C11 S16 A17 | L9-V13 WeakPolarHBondContact O-CG2 3.46Å; L9-V13 PolarHBondContact O-N 2.99Å; C11-V13 PolarHBondContact O-N 3.42Å; V13-S16 PolarHBondContact O-N 3.16Å; V13-A17 PolarHBondContact O-N 3.36Å |
| 14 | G | 30.9 | Very low | 44.7 | Very low | 42 Ų | 42 | 97.5 Ų | 97.5 | 43% | 0.433 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.2 | -37.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | A10 C11 A18 | A10-G14 PolarHBondContact O-N 3.31Å; C11-G14 PolarHBondContact O-N 3.46Å; G14-A18 WeakPolarHBondContact O-CB 3.5Å; G14-A18 PolarHBondContact O-N 3.34Å |
| 15 | F | 36.2 | Very low | 46.1 | Very low | 140 Ų | 140 | 96 Ų | 96 | 61% | 0.614 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -69.8 | -32.2 | 176.8 | -96.1 | -80.3 | 0 | 0 | 0 | 113.2 | C11 R19 | C11-F15 VanDerWaalsContact O-CD2 3.28Å; C11-F15 WeakPolarHBondContact O-CD2 3.18Å; C11-F15 PolarHBondContact O-N 3.13Å; F15-R19 WeakPolarHBondContact O-CB 3.03Å; F15-R19 WeakPolarHBondContact O-CG 3.44Å; F15-R19 PolarHBondContact O-N 3.43Å |
| 16 | S | 44.7 | Very low | 47.7 | Very low | 77 Ų | 77 | 97.6 Ų | 97.6 | 54% | 0.538 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.7 | -46.3 | 175.7 | 153.6 | 0 | 0 | 0 | 0 | 111.9 | L12 V13 A18 R19 T20 | L12-S16 PolarHBondContact O-N 3.08Å; V13-S16 PolarHBondContact O-N 3.16Å; S16-A18 VanDerWaalsContact C-N 3.34Å; S16-R19 PolarHBondContact O-N 3.46Å; S16-T20 PolarHBondContact O-N 3.12Å; S16-T20 VanDerWaalsContact O-N 3.14Å; S16-T20 PolarHBondContact O-OG1 2.88Å |
| 17 | A | 43.1 | Very low | 49.8 | Very low | 53 Ų | 53 | 90.4 Ų | 90.4 | 44% | 0.438 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.1 | -29.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V13 T20 R21 | V13-A17 PolarHBondContact O-N 3.36Å; A17-T20 WeakPolarHBondContact CA-OG1 3.42Å; A17-T20 PolarHBondContact O-OG1 2.67Å; A17-T20 VanDerWaalsContact O-OG1 3.09Å; A17-R21 PolarHBondContact O-N 3.39Å |
| 18 | A | 47.3 | Very low | 52.2 | Low | 52 Ų | 52 | 85.2 Ų | 85.2 | 43% | 0.43 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -69.8 | -40.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | G14 S16 R21 E22 | G14-A18 WeakPolarHBondContact O-CB 3.5Å; G14-A18 PolarHBondContact O-N 3.34Å; S16-A18 VanDerWaalsContact C-N 3.34Å; A18-R21 PolarHBondContact O-N 3.26Å; A18-E22 PolarHBondContact O-N 3.47Å; A18-E22 VanDerWaalsContact O-N 3.08Å |
| 19 | R | 51.1 | Low | 54.8 | Low | 152 Ų | 152 | 80.5 Ų | 80.5 | 57% | 0.574 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -67.7 | -37.6 | 176.8 | -81.8 | -177.5 | 175 | -175.5 | -0.9 | 113.5 | F15 S16 E22 W23 | F15-R19 WeakPolarHBondContact O-CB 3.03Å; F15-R19 WeakPolarHBondContact O-CG 3.44Å; F15-R19 PolarHBondContact O-N 3.43Å; S16-R19 PolarHBondContact O-N 3.46Å; R19-E22 WeakPolarHBondContact O-CB 3.27Å; R19-E22 PolarHBondContact O-N 3.08Å; R19-W23 HydrophobicContact CB-CE3 4.34Å; R19-W23 HydrophobicContact CB-CZ3 3.95Å; R19-W23 PolarHBondContact O-N 2.61Å |
| 20 | T | 51.5 | Low | 57.3 | Low | 36 Ų | 36 | 75.1 Ų | 75.1 | 22% | 0.221 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -64.7 | -37.8 | 175.9 | 47.2 | 0 | 0 | 0 | 0 | 112.8 | S16 A17 W23 A24 E307 | S16-T20 PolarHBondContact O-N 3.12Å; S16-T20 VanDerWaalsContact O-N 3.14Å; S16-T20 PolarHBondContact O-OG1 2.88Å; A17-T20 WeakPolarHBondContact CA-OG1 3.42Å; A17-T20 PolarHBondContact O-OG1 2.67Å; A17-T20 VanDerWaalsContact O-OG1 3.09Å; T20-W23 WeakPolarHBondContact O-CB 3.22Å; T20-W23 PolarHBondContact O-N 3.41Å; T20-A24 PolarHBondContact O-N 3.39Å; T20-A24 VanDerWaalsContact O-N 3.15Å; T20-E307 WeakPolarHBondContact CB-OE1 3.43Å; T20-E307 WeakPolarHBondContact CG2-OE1 3.48Å |
| 21 | R | 54.9 | Low | 60.2 | Low | 181 Ų | 181 | 71.9 Ų | 71.9 | 68% | 0.683 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -69.5 | -31.8 | 172.2 | -71.7 | -175.3 | 176.2 | -165 | -1.8 | 113.5 | A17 A18 W23 A24 H25 | A17-R21 PolarHBondContact O-N 3.39Å; A18-R21 PolarHBondContact O-N 3.26Å; R21-W23 VanDerWaalsContact C-N 3.31Å; R21-A24 PolarHBondContact O-N 2.92Å; R21-H25 PolarHBondContact O-CD2 2.94Å; R21-H25 VanDerWaalsContact O-CD2 3.29Å; R21-H25 PolarHBondContact O-N 3.48Å |
| 22 | E | 63.6 | Low | 63 | Low | 120 Ų | 120 | 69.5 Ų | 69.5 | 56% | 0.561 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -61.4 | -40.2 | 168.2 | -77.3 | -178.6 | 164 | 0 | 0 | 111.2 | A18 R19 H25 H26 | A18-E22 PolarHBondContact O-N 3.47Å; A18-E22 VanDerWaalsContact O-N 3.08Å; R19-E22 WeakPolarHBondContact O-CB 3.27Å; R19-E22 PolarHBondContact O-N 3.08Å; E22-H25 PolarHBondContact O-N 2.03Å; E22-H26 WeakPolarHBondContact O-CA 3.42Å; E22-H26 VanDerWaalsContact O-CB 3.23Å; E22-H26 WeakPolarHBondContact O-CB 3.43Å; E22-H26 PolarHBondContact O-CD2 3.26Å; E22-H26 PolarHBondContact O-N 2.97Å |
| 23 | W | 66.4 | Low | 65.9 | Low | 77 Ų | 77 | 65.3 Ų | 65.3 | 29% | 0.292 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.3 | -40.6 | 176.3 | -92.8 | -63.6 | 0 | 0 | 0 | 113.5 | R19 T20 R21 H25 G27 A28 L84 | R19-W23 HydrophobicContact CB-CE3 4.34Å; R19-W23 HydrophobicContact CB-CZ3 3.95Å; R19-W23 PolarHBondContact O-N 2.61Å; T20-W23 WeakPolarHBondContact O-CB 3.22Å; T20-W23 PolarHBondContact O-N 3.41Å; R21-W23 VanDerWaalsContact C-N 3.31Å; W23-H25 VanDerWaalsContact C-N 3.28Å; W23-H25 PolarHBondContact O-N 3.49Å; W23-G27 WeakPolarHBondContact O-CA 3.29Å; W23-G27 PolarHBondContact O-N 3.48Å; W23-A28 PolarHBondContact O-N 2.95Å; W23-L84 PolarHBondContact NE1-O 3.23Å |
| 24 | A | 62 | Low | 68.8 | Low | 5 Ų | 5 | 60.8 Ų | 60.8 | 4% | 0.041 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58 | -39.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T20 R21 P29 D302 F305 | T20-A24 PolarHBondContact O-N 3.39Å; T20-A24 VanDerWaalsContact O-N 3.15Å; R21-A24 PolarHBondContact O-N 2.92Å; A24-P29 WeakPolarHBondContact O-CD 3.18Å; A24-D302 HydrophobicContact CB-CB 4.22Å; A24-F305 HydrophobicContact CB-CB 4.26Å; A24-F305 HydrophobicContact CB-CD1 3.36Å; A24-F305 HydrophobicContact CB-CE1 3.81Å; A24-F305 HydrophobicContact CB-CG 3.97Å |
| 25 | H | 65.9 | Low | 72 | Confident | 103 Ų | 103 | 62 Ų | 62 | 48% | 0.477 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -93.2 | -28.2 | -177.5 | -63.7 | -44.6 | 0 | 0 | 0 | 114.2 | R21 E22 W23 K90 D302 | R21-H25 PolarHBondContact O-CD2 2.94Å; R21-H25 VanDerWaalsContact O-CD2 3.29Å; R21-H25 PolarHBondContact O-N 3.48Å; E22-H25 PolarHBondContact O-N 2.03Å; W23-H25 VanDerWaalsContact C-N 3.28Å; W23-H25 PolarHBondContact O-N 3.49Å; H25-K90 PolarHBondContact O-NZ 2.96Å; H25-D302 IonicContact CE1-OD2 3.92Å; H25-D302 PolarHBondContact CE1-OD2 3.08Å; H25-D302 IonicContact ND1-OD2 2.92Å; H25-D302 PolarHBondContact ND1-OD2 3.4Å; H25-D302 VanDerWaalsContact ND1-OD2 3.1Å; H25-D302 IonicContact NE2-OD2 2.71Å |
| 26 | H | 74.5 | Confident | 75 | Confident | 119 Ų | 119 | 56.8 Ų | 56.8 | 55% | 0.551 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -98.5 | -46.6 | -177.5 | -73.1 | -86.6 | 0 | 0 | 0 | 113.3 | E22 K90 | E22-H26 WeakPolarHBondContact O-CA 3.42Å; E22-H26 VanDerWaalsContact O-CB 3.23Å; E22-H26 WeakPolarHBondContact O-CB 3.43Å; E22-H26 PolarHBondContact O-CD2 3.26Å; E22-H26 PolarHBondContact O-N 2.97Å; H26-K90 VanDerWaalsContact O-CD 3.23Å; H26-K90 WeakPolarHBondContact O-CD 3.4Å; H26-K90 WeakPolarHBondContact O-CE 3.35Å; H26-K90 PolarHBondContact O-NZ 3.39Å |
| 27 | G | 84.2 | Confident | 77.6 | Confident | 3 Ų | 3 | 60.7 Ų | 60.7 | 3% | 0.031 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -63.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114 | W23 P29 M30 | W23-G27 WeakPolarHBondContact O-CA 3.29Å; W23-G27 PolarHBondContact O-N 3.48Å; G27-P29 VanDerWaalsContact C-N 3.33Å; G27-M30 WeakPolarHBondContact O-CB 3.47Å; G27-M30 WeakPolarHBondContact O-CE 3.43Å; G27-M30 WeakPolarHBondContact O-CG 3.34Å; G27-M30 PolarHBondContact O-N 3.23Å; G27-M30 VanDerWaalsContact O-N 3.08Å |
| 28 | A | 88.8 | Confident | 80.2 | Confident | 6 Ų | 6 | 58.9 Ų | 58.9 | 5% | 0.05 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -53.9 | -36.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | W23 M30 F31 A32 N304 F305 A314 | W23-A28 PolarHBondContact O-N 2.95Å; A28-M30 PolarHBondContact O-N 3.4Å; A28-M30 VanDerWaalsContact O-N 3.08Å; A28-F31 PolarHBondContact O-N 3.5Å; A28-A32 PolarHBondContact O-N 3.27Å; A28-N304 PolarHBondContact O-ND2 3.31Å; A28-N304 PolarHBondContact O-OD1 2.66Å; A28-F305 HydrophobicContact CB-CB 3.61Å; A28-F305 HydrophobicContact CB-CD2 3.93Å; A28-F305 HydrophobicContact CB-CG 4.12Å; A28-A314 HydrophobicContact CB-CB 3.76Å |
| 29 | P | 92.9 | Very high | 82.6 | Confident | 31 Ų | 31 | 56.5 Ų | 56.5 | 20% | 0.201 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -64.3 | -15.2 | 179.7 | -26 | 37.5 | 0 | 0 | 0 | 114.7 | A24 G27 F31 A32 R93 | A24-P29 WeakPolarHBondContact O-CD 3.18Å; G27-P29 VanDerWaalsContact C-N 3.33Å; P29-F31 PolarHBondContact O-N 2.85Å; P29-A32 PolarHBondContact O-N 3.06Å; P29-R93 PolarHBondContact O-NH1 2.93Å |
| 30 | M | 95.1 | Very high | 84.9 | Confident | 12 Ų | 12 | 53.3 Ų | 53.3 | 6% | 0.059 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -64.4 | -26.5 | 171.5 | -63.1 | -170.8 | -67.6 | 0 | 0 | 112.2 | G27 A28 A80 A83 L84 K90 P91 | G27-M30 WeakPolarHBondContact O-CB 3.47Å; G27-M30 WeakPolarHBondContact O-CE 3.43Å; G27-M30 WeakPolarHBondContact O-CG 3.34Å; G27-M30 PolarHBondContact O-N 3.23Å; G27-M30 VanDerWaalsContact O-N 3.08Å; A28-M30 PolarHBondContact O-N 3.4Å; A28-M30 VanDerWaalsContact O-N 3.08Å; M30-A80 HydrophobicContact CE-CB 4.4Å; M30-A83 HydrophobicContact CE-CB 4.02Å; M30-A83 HydrophobicContact SD-CB 3.95Å; M30-L84 HydrophobicContact CE-CD1 4.32Å; M30-L84 HydrophobicContact CE-CD2 3.64Å; M30-L84 HydrophobicContact CE-CG 3.67Å; M30-K90 HydrophobicContact CG-CB 4.29Å; M30-K90 HydrophobicContact CG-CD 4.14Å; M30-K90 HydrophobicContact CG-CG 4.31Å; M30-K90 HydrophobicContact SD-CB 4.11Å; M30-K90 HydrophobicContact SD-CG 4.28Å; M30-P91 WeakPolarHBondContact SD-CD 3.47Å; M30-P91 HydrophobicContact SD-CG 4Å |
| 31 | F | 97.6 | Very high | 87.1 | Confident | 1 Ų | 1 | 53 Ų | 53 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | -9.7 | -177.7 | -52.8 | -63.4 | 0 | 0 | 0 | 113.1 | A28 P29 L72 L74 A80 L84 A314 R316 F326 D327 Y337 | A28-F31 PolarHBondContact O-N 3.5Å; P29-F31 PolarHBondContact O-N 2.85Å; F31-L72 WeakPolarHBondContact O-CD2 3.24Å; F31-L74 HydrophobicContact CD1-CD2 3.89Å; F31-A80 HydrophobicContact CZ-CB 4.29Å; F31-L84 HydrophobicContact CE2-CD1 4.1Å; F31-L84 HydrophobicContact CE2-CD2 4.49Å; F31-L84 HydrophobicContact CZ-CD1 4.02Å; F31-A314 HydrophobicContact CB-CB 4.36Å; F31-A314 HydrophobicContact CD2-CB 3.94Å; F31-R316 WeakPolarHBondContact O-CB 3.5Å; F31-R316 WeakPolarHBondContact O-CD 3.48Å; F31-F326 HydrophobicContact CB-CB 4.2Å; F31-F326 HydrophobicContact CB-CD2 4.01Å; F31-F326 HydrophobicContact CB-CG 4.09Å; F31-F326 HydrophobicContact CD1-CB 4.02Å; F31-F326 AromaticContact CD1-CD1 3.68Å; F31-F326 HydrophobicContact CD1-CD1 3.68Å; F31-F326 HydrophobicContact CD1-CD2 4.31Å; F31-F326 HydrophobicContact CD1-CE1 4.23Å; F31-F326 AromaticContact CD1-CG 3.73Å; F31-F326 HydrophobicContact CD1-CG 3.73Å; F31-F326 HydrophobicContact CD2-CB 3.76Å; F31-F326 HydrophobicContact CD2-CG 4.34Å; F31-F326 HydrophobicContact CE1-CB 4.33Å; F31-F326 AromaticContact CE1-CD1 3.84Å; F31-F326 HydrophobicContact CE1-CD1 3.84Å; F31-F326 HydrophobicContact CE1-CG 4.21Å; F31-F326 HydrophobicContact CE2-CB 4.08Å; F31-F326 HydrophobicContact CG-CB 3.72Å; F31-F326 HydrophobicContact CG-CD1 4.24Å; F31-F326 HydrophobicContact CG-CD2 4.23Å; F31-F326 AromaticContact CG-CG 3.8Å; F31-F326 HydrophobicContact CG-CG 3.8Å; F31-F326 HydrophobicContact CZ-CB 4.35Å; F31-F326 HydrophobicContact CZ-CD1 4.5Å; F31-D327 HydrophobicContact CE2-CB 4.37Å; F31-Y337 HydrophobicContact CE1-CE2 4.39Å; F31-Y337 HydrophobicContact CZ-CE2 4.1Å |
| 32 | A | 97.8 | Very high | 89.2 | Confident | 21 Ų | 21 | 44.3 Ų | 44.3 | 17% | 0.174 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -65.3 | 137.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A28 P29 L72 R93 N304 | A28-A32 PolarHBondContact O-N 3.27Å; P29-A32 PolarHBondContact O-N 3.06Å; A32-L72 VanDerWaalsContact O-CD2 3.3Å; A32-L72 WeakPolarHBondContact O-CD2 3.02Å; A32-R93 VanDerWaalsContact O-CZ 3.25Å; A32-R93 PolarHBondContact O-NH1 3Å; A32-R93 PolarHBondContact O-NH2 3.35Å; A32-N304 WeakPolarHBondContact CA-ND2 3.4Å; A32-N304 HydrophobicContact CB-CB 4.25Å; A32-N304 PolarHBondContact N-ND2 2.78Å |
| 33 | D | 98.5 | Very high | 90.9 | Very high | 36 Ų | 36 | 41.1 Ų | 41.1 | 19% | 0.193 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -55.9 | 163.4 | 173.9 | -69.8 | -53.4 | 0 | 0 | 0 | 112.6 | T35 R93 R316 V317 | D33-T35 PolarHBondContact O-N 3.45Å; D33-R93 PolarHBondContact O-NH2 3.5Å; D33-R316 IonicContact OD1-CZ 2.68Å; D33-R316 IonicContact OD1-NE 2.79Å; D33-R316 PolarHBondContact OD1-NE 3.4Å; D33-R316 IonicContact OD1-NH2 3.15Å; D33-R316 PolarHBondContact OD1-NH2 3.06Å; D33-R316 WeakPolarHBondContact OD2-CB 3.26Å; D33-V317 PolarHBondContact OD2-N 3.34Å |
| 34 | L | 98.6 | Very high | 92.4 | Very high | 9 Ų | 9 | 41.3 Ų | 41.3 | 5% | 0.047 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -61.2 | 136.4 | -179.4 | -62.1 | 178.4 | 0 | 0 | 0 | 110.5 | E38 M39 I42 M70 E71 L72 A95 L117 | L34-E38 WeakPolarHBondContact CA-OE2 3.34Å; L34-E38 HydrophobicContact CB-CB 4.49Å; L34-E38 HydrophobicContact CD2-CB 4.46Å; L34-M39 HydrophobicContact CB-CE 4.4Å; L34-M39 HydrophobicContact CB-CG 3.82Å; L34-M39 HydrophobicContact CB-SD 4.49Å; L34-M39 HydrophobicContact CD1-CG 4.1Å; L34-M39 VanDerWaalsContact O-CE 3.29Å; L34-M39 WeakPolarHBondContact O-CE 2.96Å; L34-I42 HydrophobicContact CD1-CD1 3.88Å; L34-M70 HydrophobicContact CD1-CB 4.2Å; L34-E71 VanDerWaalsContact CD1-C 3.5Å; L34-L72 HydrophobicContact CD2-CB 4.36Å; L34-L72 HydrophobicContact CD2-CD1 4.26Å; L34-L72 HydrophobicContact CG-CB 4.38Å; L34-A95 HydrophobicContact CD1-CB 3.79Å; L34-A95 HydrophobicContact CD2-CB 4.14Å; L34-L117 HydrophobicContact CD2-CD1 3.45Å; L34-L117 VanDerWaalsContact CD2-CD1 3.45Å |
| 35 | T | 98.2 | Very high | 94.1 | Very high | 68 Ų | 68 | 43.5 Ų | 43.5 | 42% | 0.417 | 23% | 0.228 | S | C | . | . | P | Polyproline II helix | trans | -76.6 | 160.2 | 171.1 | 66.2 | 0 | 0 | 0 | 0 | 110.9 | D33 Q37 E38 M39 | D33-T35 PolarHBondContact O-N 3.45Å; T35-Q37 PolarHBondContact O-N 2.92Å; T35-E38 PolarHBondContact N-OE2 3.44Å; T35-E38 PolarHBondContact O-N 2.91Å; T35-E38 VanDerWaalsContact O-N 3.08Å; T35-E38 VanDerWaalsContact OG1-CG 3.25Å; T35-E38 WeakPolarHBondContact OG1-CG 3.39Å; T35-E38 PolarHBondContact OG1-N 3.36Å; T35-E38 PolarHBondContact OG1-OE2 3.08Å; T35-M39 PolarHBondContact O-N 3.43Å |
| 36 | V | 98.4 | Very high | 95.6 | Very high | 30 Ų | 30 | 38.6 Ų | 38.6 | 18% | 0.182 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -53.8 | -40.8 | 173.7 | 175.9 | 0 | 0 | 0 | 0 | 111.6 | M39 K40 Y390 P398 V742 | V36-M39 PolarHBondContact O-N 3.01Å; V36-K40 HydrophobicContact CG1-CD 4.1Å; V36-K40 WeakPolarHBondContact O-CB 3.19Å; V36-K40 WeakPolarHBondContact O-CG 3.36Å; V36-K40 PolarHBondContact O-N 3.15Å; V36-Y390 HydrophobicContact CG2-CD1 3.26Å; V36-Y390 HydrophobicContact CG2-CD2 4.45Å; V36-Y390 HydrophobicContact CG2-CE1 3.51Å; V36-Y390 HydrophobicContact CG2-CG 3.78Å; V36-P398 HydrophobicContact CG1-CB 4.33Å; V36-P398 HydrophobicContact CG1-CG 4.18Å; V36-P398 HydrophobicContact CG2-CB 4.39Å; V36-V742 HydrophobicContact CG1-CG2 4.1Å; V36-V742 HydrophobicContact CG2-CG2 3.9Å |
| 37 | Q | 98.3 | Very high | 96.7 | Very high | 160 Ų | 160 | 35.6 Ų | 35.6 | 75% | 0.748 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -65.2 | -42.2 | 178 | -70.1 | -178.8 | -12.2 | 0 | 0 | 111.9 | T35 K40 A41 | T35-Q37 PolarHBondContact O-N 2.92Å; Q37-K40 PolarHBondContact O-N 3.06Å; Q37-A41 WeakPolarHBondContact O-CB 3.45Å; Q37-A41 PolarHBondContact O-N 3.27Å |
| 38 | E | 98.6 | Very high | 97.4 | Very high | 14 Ų | 14 | 38.1 Ų | 38.1 | 7% | 0.065 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.3 | -45.9 | 176.3 | -72.5 | 172.9 | 138.1 | 0 | 0 | 111.5 | L34 T35 K40 A41 I42 R93 L117 P118 | L34-E38 WeakPolarHBondContact CA-OE2 3.34Å; L34-E38 HydrophobicContact CB-CB 4.49Å; L34-E38 HydrophobicContact CD2-CB 4.46Å; T35-E38 PolarHBondContact N-OE2 3.44Å; T35-E38 PolarHBondContact O-N 2.91Å; T35-E38 VanDerWaalsContact O-N 3.08Å; T35-E38 VanDerWaalsContact OG1-CG 3.25Å; T35-E38 WeakPolarHBondContact OG1-CG 3.39Å; T35-E38 PolarHBondContact OG1-N 3.36Å; T35-E38 PolarHBondContact OG1-OE2 3.08Å; E38-K40 PolarHBondContact O-N 2.94Å; E38-A41 PolarHBondContact O-N 2.96Å; E38-I42 VanDerWaalsContact O-CD1 3.32Å; E38-I42 WeakPolarHBondContact O-CD1 3.32Å; E38-I42 WeakPolarHBondContact O-CG1 3.27Å; E38-I42 PolarHBondContact O-N 3.31Å; E38-R93 VanDerWaalsContact OE1-CD 3.29Å; E38-R93 WeakPolarHBondContact OE1-CD 3.26Å; E38-R93 IonicContact OE1-CZ 3.91Å; E38-R93 IonicContact OE1-NE 2.81Å; E38-R93 PolarHBondContact OE1-NE 2.89Å; E38-R93 IonicContact OE1-NH2 3.9Å; E38-R93 IonicContact OE2-CZ 3.44Å; E38-R93 IonicContact OE2-NE 2.83Å; E38-R93 PolarHBondContact OE2-NE 3.11Å; E38-R93 IonicContact OE2-NH2 3.97Å; E38-R93 PolarHBondContact OE2-NH2 2.85Å; E38-L117 HydrophobicContact CB-CD1 4.33Å; E38-L117 HydrophobicContact CB-CD2 4.45Å; E38-L117 HydrophobicContact CG-CB 4.33Å; E38-L117 HydrophobicContact CG-CD1 4.37Å; E38-P118 HydrophobicContact CG-CB 4.24Å |
| 39 | M | 98.7 | Very high | 97.8 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.7 | -43.8 | 176.8 | -70.8 | -177.7 | -94.6 | 0 | 0 | 112.1 | L34 T35 V36 A41 I42 R43 M70 P398 | L34-M39 HydrophobicContact CB-CE 4.4Å; L34-M39 HydrophobicContact CB-CG 3.82Å; L34-M39 HydrophobicContact CB-SD 4.49Å; L34-M39 HydrophobicContact CD1-CG 4.1Å; L34-M39 VanDerWaalsContact O-CE 3.29Å; L34-M39 WeakPolarHBondContact O-CE 2.96Å; T35-M39 PolarHBondContact O-N 3.43Å; V36-M39 PolarHBondContact O-N 3.01Å; M39-A41 VanDerWaalsContact C-N 3.35Å; M39-A41 PolarHBondContact O-N 3.26Å; M39-I42 PolarHBondContact O-N 3.37Å; M39-R43 PolarHBondContact O-N 2.95Å; M39-M70 HydrophobicContact CB-SD 4.32Å; M39-P398 HydrophobicContact CB-CB 4.47Å; M39-P398 HydrophobicContact CB-CG 3.62Å; M39-P398 HydrophobicContact CE-CB 3.96Å; M39-P398 HydrophobicContact CE-CG 4.41Å; M39-P398 HydrophobicContact CG-CG 4.47Å; M39-P398 HydrophobicContact SD-CB 3.96Å; M39-P398 HydrophobicContact SD-CG 4.12Å |
| 40 | K | 98.5 | Very high | 98 | Very high | 86 Ų | 86 | 42.3 Ų | 42.3 | 37% | 0.374 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63 | -39.6 | 175.3 | -73.8 | 179.1 | 179.2 | 179.8 | 0 | 112.2 | V36 Q37 E38 S44 P398 V742 | V36-K40 HydrophobicContact CG1-CD 4.1Å; V36-K40 WeakPolarHBondContact O-CB 3.19Å; V36-K40 WeakPolarHBondContact O-CG 3.36Å; V36-K40 PolarHBondContact O-N 3.15Å; Q37-K40 PolarHBondContact O-N 3.06Å; E38-K40 PolarHBondContact O-N 2.94Å; K40-S44 WeakPolarHBondContact O-CB 3.5Å; K40-S44 PolarHBondContact O-N 3.36Å; K40-S44 PolarHBondContact O-OG 3.31Å; K40-P398 HydrophobicContact CG-CG 4.29Å; K40-V742 WeakPolarHBondContact CE-O 3.43Å; K40-V742 VanDerWaalsContact NZ-C 3.26Å; K40-V742 PolarHBondContact NZ-O 2.87Å; K40-V742 PolarHBondContact NZ-OXT 2.94Å |
| 41 | A | 98.6 | Very high | 98 | Very high | 28 Ų | 28 | 48.9 Ų | 48.9 | 23% | 0.231 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.9 | -42.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | Q37 E38 M39 S44 Y45 P118 P120 | Q37-A41 WeakPolarHBondContact O-CB 3.45Å; Q37-A41 PolarHBondContact O-N 3.27Å; E38-A41 PolarHBondContact O-N 2.96Å; M39-A41 VanDerWaalsContact C-N 3.35Å; M39-A41 PolarHBondContact O-N 3.26Å; A41-S44 PolarHBondContact O-N 3.16Å; A41-Y45 WeakPolarHBondContact O-CB 3.33Å; A41-Y45 PolarHBondContact O-N 2.91Å; A41-P118 WeakPolarHBondContact CB-O 3.22Å; A41-P120 HydrophobicContact CB-CG 4.36Å |
| 42 | I | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.6 | -50 | 175 | -67.5 | 156.8 | 0 | 0 | 0 | 110.4 | L34 E38 M39 S44 Y45 L46 M70 A95 V97 V114 L117 | L34-I42 HydrophobicContact CD1-CD1 3.88Å; E38-I42 VanDerWaalsContact O-CD1 3.32Å; E38-I42 WeakPolarHBondContact O-CD1 3.32Å; E38-I42 WeakPolarHBondContact O-CG1 3.27Å; E38-I42 PolarHBondContact O-N 3.31Å; M39-I42 PolarHBondContact O-N 3.37Å; I42-S44 VanDerWaalsContact C-N 3.35Å; I42-S44 PolarHBondContact O-N 3.37Å; I42-Y45 PolarHBondContact O-N 3.19Å; I42-L46 HydrophobicContact CG2-CD1 3.82Å; I42-L46 HydrophobicContact CG2-CG 4.44Å; I42-L46 WeakPolarHBondContact O-CG 3.17Å; I42-L46 PolarHBondContact O-N 2.96Å; I42-M70 HydrophobicContact CB-CE 4.37Å; I42-M70 HydrophobicContact CB-SD 3.98Å; I42-M70 HydrophobicContact CG2-CE 3.82Å; I42-M70 HydrophobicContact CG2-SD 3.7Å; I42-A95 HydrophobicContact CD1-CB 3.36Å; I42-A95 HydrophobicContact CG1-CB 4.28Å; I42-V97 HydrophobicContact CG2-CG2 3.63Å; I42-V114 HydrophobicContact CG1-CG1 4.47Å; I42-V114 HydrophobicContact CG2-CG1 4.28Å; I42-L117 HydrophobicContact CD1-CD1 4.22Å; I42-L117 HydrophobicContact CD1-CD2 3.78Å; I42-L117 HydrophobicContact CG1-CD2 3.58Å |
| 43 | R | 97.9 | Very high | 97.8 | Very high | 52 Ų | 52 | 55 Ų | 55 | 20% | 0.196 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.1 | -51.2 | 177.3 | -171.2 | -175.3 | -172.9 | -74 | 3.5 | 110.7 | M39 Y45 L46 H47 D56 I67 M70 Y392 D396 | M39-R43 PolarHBondContact O-N 2.95Å; R43-Y45 VanDerWaalsContact C-N 3.31Å; R43-Y45 PolarHBondContact O-N 2.94Å; R43-L46 PolarHBondContact O-N 3.44Å; R43-H47 VanDerWaalsContact CG-CD2 3.48Å; R43-H47 WeakPolarHBondContact CG-CD2 3.3Å; R43-H47 VanDerWaalsContact CZ-NE2 3.29Å; R43-H47 PolarHBondContact NH1-NE2 2.94Å; R43-H47 WeakPolarHBondContact O-CB 3.17Å; R43-H47 PolarHBondContact O-CD2 3.08Å; R43-H47 VanDerWaalsContact O-CD2 3.24Å; R43-H47 PolarHBondContact O-N 3.24Å; R43-D56 IonicContact NH2-OD1 3.84Å; R43-D56 PolarHBondContact NH2-OD1 2.81Å; R43-I67 HydrophobicContact CG-CD1 4.34Å; R43-M70 HydrophobicContact CB-CE 3.83Å; R43-M70 HydrophobicContact CG-CE 4.44Å; R43-Y392 PolarHBondContact NE-OH 3.03Å; R43-D396 VanDerWaalsContact CD-O 3.24Å; R43-D396 WeakPolarHBondContact CD-O 3.29Å; R43-D396 PolarHBondContact NE-O 3.04Å; R43-D396 IonicContact NH2-OD1 2.91Å; R43-D396 PolarHBondContact NH2-OD1 3.14Å |
| 44 | S | 98 | Very high | 97.7 | Very high | 82 Ų | 82 | 54.4 Ų | 54.4 | 57% | 0.573 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -59.5 | -42.6 | -178.3 | -57 | 0 | 0 | 0 | 0 | 112 | K40 A41 I42 G48 | K40-S44 WeakPolarHBondContact O-CB 3.5Å; K40-S44 PolarHBondContact O-N 3.36Å; K40-S44 PolarHBondContact O-OG 3.31Å; A41-S44 PolarHBondContact O-N 3.16Å; I42-S44 VanDerWaalsContact C-N 3.35Å; I42-S44 PolarHBondContact O-N 3.37Å; S44-G48 PolarHBondContact O-N 3.15Å; S44-G48 VanDerWaalsContact O-N 3.08Å |
| 45 | Y | 98.5 | Very high | 97.6 | Very high | 50 Ų | 50 | 56.4 Ų | 56.4 | 20% | 0.196 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63 | -48.2 | 176.3 | 166 | -101.4 | 0 | 0 | 0 | 112.3 | A41 I42 R43 G48 I49 V114 P120 R121 S122 H123 | A41-Y45 WeakPolarHBondContact O-CB 3.33Å; A41-Y45 PolarHBondContact O-N 2.91Å; I42-Y45 PolarHBondContact O-N 3.19Å; R43-Y45 VanDerWaalsContact C-N 3.31Å; R43-Y45 PolarHBondContact O-N 2.94Å; Y45-G48 PolarHBondContact O-N 3.42Å; Y45-G48 VanDerWaalsContact O-N 3.16Å; Y45-I49 HydrophobicContact CE1-CD1 4.01Å; Y45-V114 HydrophobicContact CD1-CG1 3.78Å; Y45-V114 HydrophobicContact CE1-CG1 3.85Å; Y45-P120 HydrophobicContact CD1-CB 4.08Å; Y45-P120 HydrophobicContact CD1-CG 4.39Å; Y45-P120 WeakPolarHBondContact CD2-O 3.42Å; Y45-P120 HydrophobicContact CG-CB 4.06Å; Y45-P120 HydrophobicContact CG-CG 4.04Å; Y45-R121 PolarHBondContact OH-O 3.47Å; Y45-S122 WeakPolarHBondContact OH-CA 3.31Å; Y45-S122 PolarHBondContact OH-N 3.22Å; Y45-H123 HydrophobicContact CE1-CB 4.16Å; Y45-H123 AromaticContact CE1-ND1 3.86Å; Y45-H123 AromaticContact CZ-ND1 3.74Å; Y45-H123 PolarHBondContact OH-N 3.47Å; Y45-H123 PolarHBondContact OH-ND1 2.92Å |
| 46 | L | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.1 | -41 | -178.3 | -67.7 | 172.6 | 0 | 0 | 0 | 112.6 | I42 R43 G48 I49 M52 L54 I67 V97 I99 V114 | I42-L46 HydrophobicContact CG2-CD1 3.82Å; I42-L46 HydrophobicContact CG2-CG 4.44Å; I42-L46 WeakPolarHBondContact O-CG 3.17Å; I42-L46 PolarHBondContact O-N 2.96Å; R43-L46 PolarHBondContact O-N 3.44Å; L46-G48 PolarHBondContact O-N 3.44Å; L46-I49 HydrophobicContact CD2-CD1 4.2Å; L46-I49 WeakPolarHBondContact O-CB 3.14Å; L46-I49 PolarHBondContact O-N 2.82Å; L46-I49 VanDerWaalsContact O-N 3.15Å; L46-M52 HydrophobicContact CB-SD 4.33Å; L46-M52 HydrophobicContact CD2-CE 3.83Å; L46-M52 HydrophobicContact CD2-SD 3.82Å; L46-L54 HydrophobicContact CB-CD1 3.74Å; L46-I67 HydrophobicContact CB-CD1 4.23Å; L46-I67 HydrophobicContact CD1-CD1 3.87Å; L46-V97 HydrophobicContact CD1-CB 4.27Å; L46-V97 HydrophobicContact CD1-CG1 3.67Å; L46-V97 HydrophobicContact CD1-CG2 4.24Å; L46-I99 HydrophobicContact CD1-CD1 4.34Å; L46-V114 HydrophobicContact CD1-CG2 4.33Å; L46-V114 HydrophobicContact CD2-CG2 4.1Å |
| 47 | H | 97.6 | Very high | 96.9 | Very high | 57 Ų | 57 | 56 Ų | 56 | 26% | 0.264 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.6 | -23.1 | 173.2 | -82.4 | -96.3 | 0 | 0 | 0 | 112.6 | R43 I49 | R43-H47 VanDerWaalsContact CG-CD2 3.48Å; R43-H47 WeakPolarHBondContact CG-CD2 3.3Å; R43-H47 VanDerWaalsContact CZ-NE2 3.29Å; R43-H47 PolarHBondContact NH1-NE2 2.94Å; R43-H47 WeakPolarHBondContact O-CB 3.17Å; R43-H47 PolarHBondContact O-CD2 3.08Å; R43-H47 VanDerWaalsContact O-CD2 3.24Å; R43-H47 PolarHBondContact O-N 3.24Å; H47-I49 PolarHBondContact O-N 3.28Å |
| 48 | G | 97.5 | Very high | 96.5 | Very high | 56 Ų | 56 | 56.2 Ų | 56.2 | 58% | 0.577 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -4.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | S44 Y45 L46 P50 | S44-G48 PolarHBondContact O-N 3.15Å; S44-G48 VanDerWaalsContact O-N 3.08Å; Y45-G48 PolarHBondContact O-N 3.42Å; Y45-G48 VanDerWaalsContact O-N 3.16Å; L46-G48 PolarHBondContact O-N 3.44Å; G48-P50 WeakPolarHBondContact O-CD 3.37Å |
| 49 | I | 98 | Very high | 96.1 | Very high | 25 Ų | 25 | 57.5 Ų | 57.5 | 13% | 0.128 | 30% | 0.304 | C | S | . | . | trans | -97.4 | 102.9 | 179.9 | -59.7 | 166.5 | 0 | 0 | 0 | 108.8 | Y45 L46 H47 E51 M52 H123 | Y45-I49 HydrophobicContact CE1-CD1 4.01Å; L46-I49 HydrophobicContact CD2-CD1 4.2Å; L46-I49 WeakPolarHBondContact O-CB 3.14Å; L46-I49 PolarHBondContact O-N 2.82Å; L46-I49 VanDerWaalsContact O-N 3.15Å; H47-I49 PolarHBondContact O-N 3.28Å; I49-E51 HydrophobicContact CG2-CB 4.39Å; I49-E51 WeakPolarHBondContact CG2-OE2 3.49Å; I49-E51 PolarHBondContact O-N 2.99Å; I49-E51 VanDerWaalsContact O-N 3.15Å; I49-M52 HydrophobicContact CB-CG 4.12Å; I49-M52 HydrophobicContact CB-SD 4.19Å; I49-M52 HydrophobicContact CD1-CE 3.65Å; I49-M52 HydrophobicContact CD1-SD 3.95Å; I49-M52 HydrophobicContact CG2-CE 4.4Å; I49-M52 HydrophobicContact CG2-CG 3.85Å; I49-M52 HydrophobicContact CG2-SD 4.36Å; I49-M52 PolarHBondContact O-N 3.48Å; I49-M52 VanDerWaalsContact O-N 3.14Å; I49-H123 VanDerWaalsContact CD1-CE1 3.47Å; I49-H123 WeakPolarHBondContact CD1-CE1 3.37Å; I49-H123 WeakPolarHBondContact CD1-ND1 3.33Å | ||
| 50 | P | 96 | Very high | 95.5 | Very high | 100 Ų | 100 | 65.3 Ų | 65.3 | 65% | 0.649 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -60.1 | -30.4 | -173 | -24.4 | 35.9 | 0 | 0 | 0 | 113.6 | G48 M52 K53 | G48-P50 WeakPolarHBondContact O-CD 3.37Å; P50-M52 VanDerWaalsContact C-N 3.27Å; P50-M52 PolarHBondContact O-N 3.43Å; P50-K53 WeakPolarHBondContact O-CG 3.37Å; P50-K53 PolarHBondContact O-N 3.25Å |
| 51 | E | 95.3 | Very high | 95.3 | Very high | 150 Ų | 150 | 64.4 Ų | 64.4 | 70% | 0.701 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -66 | -28.3 | -178.5 | -60 | 78.3 | -171.5 | 0 | 0 | 112.6 | I49 K53 | I49-E51 HydrophobicContact CG2-CB 4.39Å; I49-E51 WeakPolarHBondContact CG2-OE2 3.49Å; I49-E51 PolarHBondContact O-N 2.99Å; I49-E51 VanDerWaalsContact O-N 3.15Å; E51-K53 VanDerWaalsContact C-N 3.33Å |
| 52 | M | 95.2 | Very high | 95.1 | Very high | 9 Ų | 9 | 63.5 Ų | 63.5 | 4% | 0.044 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -75.4 | -24.1 | 179.5 | -65.2 | -174.1 | 175.2 | 0 | 0 | 112.6 | L46 I49 P50 L54 N65 I99 F101 Y112 H123 | L46-M52 HydrophobicContact CB-SD 4.33Å; L46-M52 HydrophobicContact CD2-CE 3.83Å; L46-M52 HydrophobicContact CD2-SD 3.82Å; I49-M52 HydrophobicContact CB-CG 4.12Å; I49-M52 HydrophobicContact CB-SD 4.19Å; I49-M52 HydrophobicContact CD1-CE 3.65Å; I49-M52 HydrophobicContact CD1-SD 3.95Å; I49-M52 HydrophobicContact CG2-CE 4.4Å; I49-M52 HydrophobicContact CG2-CG 3.85Å; I49-M52 HydrophobicContact CG2-SD 4.36Å; I49-M52 PolarHBondContact O-N 3.48Å; I49-M52 VanDerWaalsContact O-N 3.14Å; P50-M52 VanDerWaalsContact C-N 3.27Å; P50-M52 PolarHBondContact O-N 3.43Å; M52-L54 HydrophobicContact CB-CD1 4.35Å; M52-L54 HydrophobicContact CB-CD2 4.28Å; M52-L54 HydrophobicContact CB-CG 3.82Å; M52-L54 PolarHBondContact O-N 3.47Å; M52-L54 HydrophobicContact SD-CD1 4.3Å; M52-N65 WeakPolarHBondContact O-CB 3.48Å; M52-N65 PolarHBondContact O-ND2 3.5Å; M52-I99 HydrophobicContact SD-CD1 4Å; M52-F101 HydrophobicContact CB-CE1 4.38Å; M52-Y112 HydrophobicContact CE-CE1 4.42Å; M52-H123 WeakPolarHBondContact CE-NE2 3.26Å |
| 53 | K | 96.2 | Very high | 94.9 | Very high | 141 Ų | 141 | 67.5 Ų | 67.5 | 61% | 0.613 | 35% | 0.351 | S | S | * | . | trans | 48.7 | 40.9 | -179 | -57.4 | -179.9 | -178.7 | 177.7 | 0 | 113.2 | P50 E51 T55 | P50-K53 WeakPolarHBondContact O-CG 3.37Å; P50-K53 PolarHBondContact O-N 3.25Å; E51-K53 VanDerWaalsContact C-N 3.33Å; K53-T55 PolarHBondContact O-N 2.91Å | ||
| 54 | L | 96.9 | Very high | 94.8 | Very high | 23 Ų | 23 | 65.4 Ų | 65.4 | 12% | 0.12 | 34% | 0.343 | C | S | . | . | B | Isolated β-bridge | trans | -66.5 | 132.3 | -177.1 | -63.9 | 177.7 | 0 | 0 | 0 | 111.3 | L46 M52 N65 I67 I99 | L46-L54 HydrophobicContact CB-CD1 3.74Å; M52-L54 HydrophobicContact CB-CD1 4.35Å; M52-L54 HydrophobicContact CB-CD2 4.28Å; M52-L54 HydrophobicContact CB-CG 3.82Å; M52-L54 PolarHBondContact O-N 3.47Å; M52-L54 HydrophobicContact SD-CD1 4.3Å; L54-N65 CarbonylContact C-O 3.56Å; L54-N65 WeakPolarHBondContact CA-O 3.35Å; L54-N65 HydrophobicContact CD2-CB 4.21Å; L54-I67 HydrophobicContact CD1-CD1 4.02Å; L54-I67 HydrophobicContact CD1-CG1 3.9Å; L54-I67 HydrophobicContact CD2-CG1 4.47Å; L54-I99 HydrophobicContact CD1-CD1 4.49Å; L54-I99 HydrophobicContact CD2-CD1 4.37Å; L54-I99 HydrophobicContact CD2-CG2 3.63Å |
| 55 | T | 95.6 | Very high | 94.7 | Very high | 52 Ų | 52 | 61.7 Ų | 61.7 | 32% | 0.319 | 32% | 0.317 | S | S | . | . | trans | -111.4 | 176.3 | 171.1 | 66 | 0 | 0 | 0 | 0 | 109.7 | K53 R64 N65 | K53-T55 PolarHBondContact O-N 2.91Å; T55-R64 WeakPolarHBondContact OG1-CB 3.37Å; T55-N65 PolarHBondContact N-O 3.19Å; T55-N65 PolarHBondContact OG1-O 2.76Å | ||
| 56 | D | 93.1 | Very high | 94.7 | Very high | 88 Ų | 88 | 59.4 Ų | 59.4 | 47% | 0.471 | 31% | 0.308 | S | S | . | . | trans | -65.6 | 142.1 | 174.4 | -67.3 | -24.8 | 0 | 0 | 0 | 111.2 | R43 R58 S59 D396 | R43-D56 IonicContact NH2-OD1 3.84Å; R43-D56 PolarHBondContact NH2-OD1 2.81Å; D56-R58 PolarHBondContact O-N 3.44Å; D56-S59 WeakPolarHBondContact O-CB 3.48Å; D56-S59 PolarHBondContact O-N 2.95Å; D56-D396 WeakPolarHBondContact CA-OD1 3.35Å; D56-D396 WeakPolarHBondContact CB-OD2 3.34Å | ||
| 57 | A | 90.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.008 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -27.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | R64 D396 | A57-R64 PolarHBondContact O-NE 3.21Å; A57-R64 VanDerWaalsContact O-NE 3.12Å; A57-R64 PolarHBondContact O-NH2 3.25Å; A57-D396 VanDerWaalsContact N-CG 3.28Å; A57-D396 PolarHBondContact N-OD1 2.85Å; A57-D396 PolarHBondContact N-OD2 3.07Å; A57-D396 VanDerWaalsContact N-OD2 3.07Å |
| 58 | R | 89.3 | Confident | 94.7 | Very high | 165 Ų | 165 | 56.9 Ų | 56.9 | 62% | 0.623 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | 14.4 | 179.3 | -61.8 | -169.2 | 176.5 | -161.8 | -3.2 | 115.3 | D56 E60 I143 D396 | D56-R58 PolarHBondContact O-N 3.44Å; R58-E60 PolarHBondContact O-N 2.9Å; R58-I143 HydrophobicContact CG-CG2 4.32Å; R58-D396 PolarHBondContact N-OD2 3.17Å |
| 59 | S | 89.3 | Confident | 94.7 | Very high | 40 Ų | 40 | 54.2 Ų | 54.2 | 28% | 0.28 | 27% | 0.269 | S | S | . | . | trans | -60.2 | 133.6 | 172.2 | 160.6 | 0 | 0 | 0 | 0 | 111 | D56 T61 R64 V144 | D56-S59 WeakPolarHBondContact O-CB 3.48Å; D56-S59 PolarHBondContact O-N 2.95Å; S59-T61 VanDerWaalsContact C-N 3.27Å; S59-T61 PolarHBondContact O-N 2.79Å; S59-T61 VanDerWaalsContact O-N 3.13Å; S59-R64 PolarHBondContact O-NH1 2.76Å; S59-V144 WeakPolarHBondContact O-CG1 3.48Å | ||
| 60 | E | 87.6 | Confident | 94.8 | Very high | 167 Ų | 167 | 53 Ų | 53 | 78% | 0.78 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -55.9 | -33.4 | -174.1 | -67.6 | -179.6 | 179.1 | 0 | 0 | 114.1 | R58 V144 H148 | R58-E60 PolarHBondContact O-N 2.9Å; E60-V144 VanDerWaalsContact O-CG1 3.27Å; E60-V144 WeakPolarHBondContact O-CG1 3.39Å; E60-H148 PolarHBondContact O-NE2 3.16Å |
| 61 | T | 93.2 | Very high | 94.9 | Very high | 66 Ų | 66 | 48.5 Ų | 48.5 | 41% | 0.405 | 23% | 0.233 | S | C | . | . | trans | -79.8 | 139.6 | 178.7 | -173.4 | 0 | 0 | 0 | 0 | 113 | S59 K63 R64 | S59-T61 VanDerWaalsContact C-N 3.27Å; S59-T61 PolarHBondContact O-N 2.79Å; S59-T61 VanDerWaalsContact O-N 3.13Å; T61-K63 VanDerWaalsContact C-N 3.32Å; T61-K63 PolarHBondContact OG1-N 3.35Å; T61-K63 VanDerWaalsContact OG1-N 3.16Å; T61-R64 HydrophobicContact CG2-CB 4.38Å; T61-R64 VanDerWaalsContact O-CD 3.3Å; T61-R64 WeakPolarHBondContact O-CD 3.45Å; T61-R64 WeakPolarHBondContact O-CG 3.18Å; T61-R64 PolarHBondContact O-NH1 2.94Å | ||
| 62 | L | 94.4 | Very high | 95.1 | Very high | 10 Ų | 10 | 41.6 Ų | 41.6 | 5% | 0.052 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -77.4 | -17.3 | 169.3 | -57.1 | 174.9 | 0 | 0 | 0 | 112.8 | R64 V144 E145 L225 P227 W230 | L62-R64 PolarHBondContact O-N 3.33Å; L62-V144 HydrophobicContact CD2-CB 4.37Å; L62-V144 HydrophobicContact CD2-CG1 4.03Å; L62-E145 HydrophobicContact CD1-CG 4.33Å; L62-E145 HydrophobicContact CD2-CB 3.94Å; L62-E145 HydrophobicContact CD2-CG 4.44Å; L62-L225 HydrophobicContact CB-CD2 3.8Å; L62-P227 HydrophobicContact CD1-CG 4.07Å; L62-P227 HydrophobicContact CG-CG 4.49Å; L62-W230 HydrophobicContact CD1-CH2 4Å; L62-W230 HydrophobicContact CD1-CZ2 3.43Å; L62-W230 VanDerWaalsContact CD1-CZ2 3.43Å |
| 63 | K | 95 | Very high | 95.2 | Very high | 83 Ų | 83 | 43.7 Ų | 43.7 | 36% | 0.361 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -78.3 | 62.8 | 172.6 | -66.4 | 179.4 | -176.5 | 164.2 | 0 | 110.6 | T61 N103 L225 D226 | T61-K63 VanDerWaalsContact C-N 3.32Å; T61-K63 PolarHBondContact OG1-N 3.35Å; T61-K63 VanDerWaalsContact OG1-N 3.16Å; K63-N103 WeakPolarHBondContact O-CB 3.29Å; K63-L225 HydrophobicContact CD-CB 4.48Å; K63-L225 HydrophobicContact CG-CB 3.61Å; K63-L225 HydrophobicContact CG-CD1 4.24Å; K63-D226 IonicContact NZ-OD2 2.71Å |
| 64 | R | 94.9 | Very high | 95.3 | Very high | 8 Ų | 8 | 38.9 Ų | 38.9 | 3% | 0.03 | 19% | 0.191 | C | C | . | . | trans | -133 | 157 | -176.3 | 68.9 | 177.2 | -178 | -91.8 | -0.4 | 112.4 | T55 A57 S59 T61 L62 G102 V144 | T55-R64 WeakPolarHBondContact OG1-CB 3.37Å; A57-R64 PolarHBondContact O-NE 3.21Å; A57-R64 VanDerWaalsContact O-NE 3.12Å; A57-R64 PolarHBondContact O-NH2 3.25Å; S59-R64 PolarHBondContact O-NH1 2.76Å; T61-R64 HydrophobicContact CG2-CB 4.38Å; T61-R64 VanDerWaalsContact O-CD 3.3Å; T61-R64 WeakPolarHBondContact O-CD 3.45Å; T61-R64 WeakPolarHBondContact O-CG 3.18Å; T61-R64 PolarHBondContact O-NH1 2.94Å; L62-R64 PolarHBondContact O-N 3.33Å; R64-G102 VanDerWaalsContact O-CA 3.27Å; R64-G102 WeakPolarHBondContact O-CA 3.41Å; R64-G102 PolarHBondContact O-N 2.94Å; R64-V144 VanDerWaalsContact NH1-CG1 3.33Å | ||
| 65 | N | 97.3 | Very high | 95.2 | Very high | 5 Ų | 5 | 38.7 Ų | 38.7 | 3% | 0.027 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 120.5 | 168.6 | -60.7 | -10.9 | 0 | 0 | 0 | 107.8 | M52 L54 T55 Q100 F101 G102 N103 | M52-N65 WeakPolarHBondContact O-CB 3.48Å; M52-N65 PolarHBondContact O-ND2 3.5Å; L54-N65 CarbonylContact C-O 3.56Å; L54-N65 WeakPolarHBondContact CA-O 3.35Å; L54-N65 HydrophobicContact CD2-CB 4.21Å; T55-N65 PolarHBondContact N-O 3.19Å; T55-N65 PolarHBondContact OG1-O 2.76Å; N65-Q100 CarbonylContact C-O 3.57Å; N65-Q100 WeakPolarHBondContact CA-O 3.39Å; N65-F101 HydrophobicContact CB-CD1 4.03Å; N65-F101 VanDerWaalsContact OD1-CA 3.3Å; N65-F101 WeakPolarHBondContact OD1-CA 3.26Å; N65-G102 PolarHBondContact OD1-N 3.18Å; N65-N103 WeakPolarHBondContact OD1-CB 3.35Å; N65-N103 PolarHBondContact OD1-N 3.26Å |
| 66 | S | 97.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.007 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 153.5 | -175.7 | 65.2 | 0 | 0 | 0 | 0 | 112.4 | L68 I99 Q100 | S66-L68 PolarHBondContact O-N 3.12Å; S66-I99 WeakPolarHBondContact O-CA 3.47Å; S66-I99 WeakPolarHBondContact O-CG2 3.38Å; S66-Q100 PolarHBondContact N-O 3.17Å; S66-Q100 PolarHBondContact O-N 3Å |
| 67 | I | 98.1 | Very high | 95.5 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.015 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 116.6 | 174.9 | -54.4 | 179.2 | 0 | 0 | 0 | 108.1 | R43 L46 L54 M70 V97 I99 Y392 | R43-I67 HydrophobicContact CG-CD1 4.34Å; L46-I67 HydrophobicContact CB-CD1 4.23Å; L46-I67 HydrophobicContact CD1-CD1 3.87Å; L54-I67 HydrophobicContact CD1-CD1 4.02Å; L54-I67 HydrophobicContact CD1-CG1 3.9Å; L54-I67 HydrophobicContact CD2-CG1 4.47Å; I67-M70 HydrophobicContact CB-CE 4.41Å; I67-M70 HydrophobicContact CD1-CE 3.43Å; I67-M70 VanDerWaalsContact CD1-CE 3.43Å; I67-M70 HydrophobicContact CG1-CE 4.46Å; I67-M70 HydrophobicContact CG2-CE 3.7Å; I67-M70 HydrophobicContact CG2-CG 3.99Å; I67-V97 HydrophobicContact CG2-CG1 3.63Å; I67-I99 HydrophobicContact CG1-CG1 4.47Å; I67-Y392 HydrophobicContact CB-CE1 4.16Å; I67-Y392 HydrophobicContact CG2-CD1 4.36Å; I67-Y392 HydrophobicContact CG2-CE1 3.84Å |
| 68 | L | 97.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | -45.2 | 179.2 | 178.1 | 66.3 | 0 | 0 | 0 | 112.3 | S66 I98 Q100 I109 P140 T142 F393 D394 I627 | S66-L68 PolarHBondContact O-N 3.12Å; L68-I98 HydrophobicContact CB-CB 4.43Å; L68-I98 HydrophobicContact CB-CG2 4.39Å; L68-I98 HydrophobicContact CD2-CG2 4.16Å; L68-I98 PolarHBondContact N-O 3.44Å; L68-Q100 HydrophobicContact CB-CG 4.15Å; L68-Q100 HydrophobicContact CD2-CG 4.33Å; L68-I109 HydrophobicContact CD2-CD1 4.07Å; L68-P140 HydrophobicContact CD2-CG 4.03Å; L68-T142 HydrophobicContact CD1-CG2 4.17Å; L68-F393 HydrophobicContact CD1-CD2 4.43Å; L68-F393 HydrophobicContact CD1-CE2 3.97Å; L68-F393 HydrophobicContact CG-CD2 4.43Å; L68-F393 HydrophobicContact CG-CE2 4.1Å; L68-F393 CarbonylContact O-C 3.58Å; L68-F393 VanDerWaalsContact O-CA 3.26Å; L68-F393 WeakPolarHBondContact O-CA 3.43Å; L68-D394 HydrophobicContact CD1-CB 4.4Å; L68-D394 PolarHBondContact O-N 2.94Å; L68-I627 HydrophobicContact CD2-CD1 4.21Å |
| 69 | L | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 140 | -172.8 | -179.1 | 75.8 | 0 | 0 | 0 | 110.5 | E71 V97 I98 Y392 F393 I627 | L69-E71 HydrophobicContact CD2-CG 4.26Å; L69-V97 CarbonylContact O-C 3.54Å; L69-V97 VanDerWaalsContact O-CA 3.32Å; L69-V97 WeakPolarHBondContact O-CA 3.49Å; L69-I98 HydrophobicContact CB-CB 4.11Å; L69-I98 HydrophobicContact CB-CD1 3.99Å; L69-I98 HydrophobicContact CB-CG1 4.07Å; L69-I98 HydrophobicContact CD2-CD1 3.59Å; L69-I98 HydrophobicContact CD2-CG1 4.23Å; L69-I98 HydrophobicContact CG-CD1 4.41Å; L69-I98 PolarHBondContact N-O 3.1Å; L69-I98 PolarHBondContact O-N 3.47Å; L69-Y392 CarbonylContact C-O 3.56Å; L69-Y392 VanDerWaalsContact CA-O 3.3Å; L69-Y392 WeakPolarHBondContact CA-O 3.47Å; L69-F393 HydrophobicContact CB-CD2 4.32Å; L69-F393 HydrophobicContact CD1-CB 4.06Å; L69-F393 HydrophobicContact CD1-CD2 3.85Å; L69-F393 HydrophobicContact CD1-CG 4.38Å; L69-I627 HydrophobicContact CD2-CD1 4.47Å |
| 70 | M | 98.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 131.6 | 160.2 | -52 | -177.9 | -179.7 | 0 | 0 | 110.6 | L34 M39 I42 R43 I67 V97 Y392 | L34-M70 HydrophobicContact CD1-CB 4.2Å; M39-M70 HydrophobicContact CB-SD 4.32Å; I42-M70 HydrophobicContact CB-CE 4.37Å; I42-M70 HydrophobicContact CB-SD 3.98Å; I42-M70 HydrophobicContact CG2-CE 3.82Å; I42-M70 HydrophobicContact CG2-SD 3.7Å; R43-M70 HydrophobicContact CB-CE 3.83Å; R43-M70 HydrophobicContact CG-CE 4.44Å; I67-M70 HydrophobicContact CB-CE 4.41Å; I67-M70 HydrophobicContact CD1-CE 3.43Å; I67-M70 VanDerWaalsContact CD1-CE 3.43Å; I67-M70 HydrophobicContact CG1-CE 4.46Å; I67-M70 HydrophobicContact CG2-CE 3.7Å; I67-M70 HydrophobicContact CG2-CG 3.99Å; M70-V97 HydrophobicContact CG-CG1 4.19Å; M70-V97 HydrophobicContact CG-CG2 4.25Å; M70-Y392 HydrophobicContact CB-CD1 4.41Å; M70-Y392 HydrophobicContact CB-CG 4.25Å; M70-Y392 HydrophobicContact CE-CD1 4.37Å; M70-Y392 HydrophobicContact CE-CD2 4.45Å; M70-Y392 HydrophobicContact CE-CE1 4.06Å; M70-Y392 HydrophobicContact CE-CE2 4.12Å; M70-Y392 HydrophobicContact CG-CD1 3.81Å; M70-Y392 HydrophobicContact CG-CE1 4.35Å; M70-Y392 HydrophobicContact CG-CG 3.94Å; M70-Y392 PolarHBondContact N-O 3Å; M70-Y392 HydrophobicContact SD-CD1 4.28Å; M70-Y392 HydrophobicContact SD-CD2 4.06Å; M70-Y392 HydrophobicContact SD-CE2 4.31Å; M70-Y392 HydrophobicContact SD-CG 4.05Å |
| 71 | E | 98.7 | Very high | 96.8 | Very high | 5 Ų | 5 | 26 Ų | 26 | 2% | 0.023 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 164.4 | 172.1 | 63.9 | 179 | -160.1 | 0 | 0 | 111.5 | L34 L69 H73 A95 R96 R318 S320 | L34-E71 VanDerWaalsContact CD1-C 3.5Å; L69-E71 HydrophobicContact CD2-CG 4.26Å; E71-H73 PolarHBondContact O-N 3.25Å; E71-A95 CarbonylContact O-C 3.56Å; E71-A95 WeakPolarHBondContact O-CA 3.46Å; E71-R96 HydrophobicContact CG-CB 4.11Å; E71-R96 PolarHBondContact N-O 3.24Å; E71-R96 PolarHBondContact O-N 3.22Å; E71-R96 WeakPolarHBondContact OE1-CD 3.41Å; E71-R96 IonicContact OE1-CZ 3.53Å; E71-R96 IonicContact OE1-NE 2.99Å; E71-R96 IonicContact OE1-NH1 3.7Å; E71-R96 PolarHBondContact OE1-NH1 3.44Å; E71-R318 IonicContact OE1-CZ 2.97Å; E71-R318 IonicContact OE1-NE 3.1Å; E71-R318 PolarHBondContact OE1-NE 2.9Å; E71-R318 IonicContact OE1-NH2 2.71Å; E71-R318 PolarHBondContact OE1-NH2 2.91Å; E71-R318 VanDerWaalsContact OE2-CG 3.24Å; E71-R318 WeakPolarHBondContact OE2-CG 3.09Å; E71-R318 IonicContact OE2-NE 2.67Å; E71-S320 WeakPolarHBondContact OE2-CB 3.42Å; E71-S320 PolarHBondContact OE2-N 3.01Å; E71-S320 PolarHBondContact OE2-OG 3.11Å |
| 72 | L | 98.6 | Very high | 96.8 | Very high | 5 Ų | 5 | 27.3 Ų | 27.3 | 3% | 0.026 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 128.6 | 176.5 | 176 | 74.9 | 0 | 0 | 0 | 110.7 | F31 A32 L34 L74 R93 R316 | F31-L72 WeakPolarHBondContact O-CD2 3.24Å; A32-L72 VanDerWaalsContact O-CD2 3.3Å; A32-L72 WeakPolarHBondContact O-CD2 3.02Å; L34-L72 HydrophobicContact CD2-CB 4.36Å; L34-L72 HydrophobicContact CD2-CD1 4.26Å; L34-L72 HydrophobicContact CG-CB 4.38Å; L72-L74 HydrophobicContact CD2-CD2 3.82Å; L72-R93 HydrophobicContact CD1-CG 4.12Å; L72-R93 VanDerWaalsContact CD1-NH1 3.28Å; L72-R316 PolarHBondContact O-NH1 2.7Å |
| 73 | H | 98.3 | Very high | 96.7 | Very high | 53 Ų | 53 | 27.6 Ų | 27.6 | 25% | 0.245 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 116.4 | 163.2 | -175.2 | 59.4 | 0 | 0 | 0 | 108.8 | E71 Q94 R96 I113 | E71-H73 PolarHBondContact O-N 3.25Å; H73-Q94 HydrophobicContact CB-CB 4.09Å; H73-Q94 PolarHBondContact N-O 2.91Å; H73-R96 HydrophobicContact CB-CB 4.36Å; H73-I113 HydrophobicContact CB-CD1 4.11Å; H73-I113 HydrophobicContact CB-CG2 4.41Å; H73-I113 WeakPolarHBondContact ND1-CD1 3.41Å |
| 74 | L | 97.4 | Very high | 96.5 | Very high | 40 Ų | 40 | 24 Ų | 24 | 21% | 0.209 | 11% | 0.113 | C | C | . | . | P | Polyproline II helix | trans | -68.7 | 141.2 | -179.8 | -71.2 | 168.1 | 0 | 0 | 0 | 110.5 | F31 L72 F326 | F31-L74 HydrophobicContact CD1-CD2 3.89Å; L72-L74 HydrophobicContact CD2-CD2 3.82Å; L74-F326 HydrophobicContact CD1-CE1 3.91Å; L74-F326 HydrophobicContact CD1-CZ 3.56Å; L74-F326 HydrophobicContact CD2-CE1 4.3Å; L74-F326 HydrophobicContact CD2-CZ 4.07Å; L74-F326 HydrophobicContact CG-CZ 4.5Å |
| 75 | P | 96.2 | Very high | 96.3 | Very high | 19 Ų | 19 | 27.4 Ų | 27.4 | 12% | 0.123 | 13% | 0.131 | C | C | . | . | P | Polyproline II helix | trans | -64.9 | 157.2 | 172.6 | 29.3 | -35.6 | 0 | 0 | 0 | 110.9 | K77 A80 P91 | P75-K77 PolarHBondContact O-N 3.16Å; P75-A80 HydrophobicContact CG-CB 4.1Å; P75-P91 HydrophobicContact CB-CB 3.87Å; P75-P91 HydrophobicContact CB-CG 3.35Å; P75-P91 HydrophobicContact CG-CG 3.92Å |
| 76 | K | 97 | Very high | 95.7 | Very high | 110 Ų | 110 | 35.4 Ų | 35.4 | 48% | 0.478 | 16% | 0.161 | S | C | . | . | P | Polyproline II helix | trans | -59.4 | 138.2 | 172.3 | -63.9 | 179 | -174 | 166.4 | 0 | 109.9 | H78 E79 A80 | K76-H78 PolarHBondContact O-N 3.18Å; K76-H78 VanDerWaalsContact O-N 3.14Å; K76-E79 HydrophobicContact CB-CG 4.1Å; K76-E79 WeakPolarHBondContact O-CB 3.33Å; K76-E79 PolarHBondContact O-N 3.27Å; K76-A80 PolarHBondContact O-N 3.36Å; K76-A80 VanDerWaalsContact O-N 3.09Å |
| 77 | K | 97.6 | Very high | 95.1 | Very high | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.017 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -53 | -43.6 | -173.7 | 179 | 174.7 | -179.4 | -177.9 | 0 | 112 | P75 E79 A80 L81 Y337 D508 D510 D619 D654 | P75-K77 PolarHBondContact O-N 3.16Å; K77-E79 VanDerWaalsContact C-N 3.3Å; K77-E79 PolarHBondContact O-N 2.88Å; K77-A80 PolarHBondContact O-N 3.26Å; K77-L81 HydrophobicContact CG-CD1 3.89Å; K77-L81 HydrophobicContact CG-CG 4.26Å; K77-L81 WeakPolarHBondContact O-CB 3.44Å; K77-L81 VanDerWaalsContact O-CG 3.28Å; K77-L81 WeakPolarHBondContact O-CG 3.5Å; K77-L81 PolarHBondContact O-N 3.04Å; K77-Y337 HydrophobicContact CB-CE1 4.03Å; K77-Y337 HydrophobicContact CD-CD1 3.78Å; K77-Y337 HydrophobicContact CD-CD2 4.46Å; K77-Y337 HydrophobicContact CD-CE1 4.1Å; K77-Y337 HydrophobicContact CD-CG 3.98Å; K77-Y337 HydrophobicContact CG-CD1 3.92Å; K77-Y337 HydrophobicContact CG-CD2 4.06Å; K77-Y337 HydrophobicContact CG-CE1 3.79Å; K77-Y337 HydrophobicContact CG-CE2 3.93Å; K77-Y337 HydrophobicContact CG-CG 4.05Å; K77-D508 WeakPolarHBondContact CD-OD2 3.3Å; K77-D508 WeakPolarHBondContact CE-OD2 3.41Å; K77-D508 IonicContact NZ-OD1 3.14Å; K77-D508 PolarHBondContact NZ-OD1 3.39Å; K77-D508 IonicContact NZ-OD2 2.75Å; K77-D508 PolarHBondContact NZ-OD2 2.97Å; K77-D510 WeakPolarHBondContact CE-OD2 3.46Å; K77-D510 IonicContact NZ-OD1 3.33Å; K77-D510 PolarHBondContact NZ-OD1 3.37Å; K77-D510 IonicContact NZ-OD2 3.45Å; K77-D510 PolarHBondContact NZ-OD2 3.03Å; K77-D619 PolarHBondContact N-OD1 2.98Å; K77-D654 VanDerWaalsContact NZ-CG 3.32Å; K77-D654 IonicContact NZ-OD1 3.72Å; K77-D654 PolarHBondContact NZ-OD1 3.07Å; K77-D654 IonicContact NZ-OD2 3.19Å; K77-D654 PolarHBondContact NZ-OD2 3.27Å |
| 78 | H | 96.1 | Very high | 94.6 | Very high | 66 Ų | 66 | 43.3 Ų | 43.3 | 31% | 0.306 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.8 | -30.4 | -179.5 | 73.6 | -91.7 | 0 | 0 | 0 | 113.7 | K76 R82 D619 | K76-H78 PolarHBondContact O-N 3.18Å; K76-H78 VanDerWaalsContact O-N 3.14Å; H78-R82 WeakPolarHBondContact O-CG 3.44Å; H78-R82 PolarHBondContact O-N 2.92Å; H78-D619 IonicContact ND1-OD2 3.72Å |
| 79 | E | 95.9 | Very high | 94.2 | Very high | 55 Ų | 55 | 47.6 Ų | 47.6 | 26% | 0.257 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -76.3 | -43.8 | 176.6 | -55.2 | -177.1 | 160.2 | 0 | 0 | 110.6 | K76 K77 L81 R82 A83 P91 | K76-E79 HydrophobicContact CB-CG 4.1Å; K76-E79 WeakPolarHBondContact O-CB 3.33Å; K76-E79 PolarHBondContact O-N 3.27Å; K77-E79 VanDerWaalsContact C-N 3.3Å; K77-E79 PolarHBondContact O-N 2.88Å; E79-L81 PolarHBondContact O-N 3.16Å; E79-R82 PolarHBondContact O-N 3.46Å; E79-A83 PolarHBondContact O-N 3.03Å; E79-P91 HydrophobicContact CB-CB 4.11Å; E79-P91 HydrophobicContact CB-CG 4.31Å |
| 80 | A | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.2 | -48.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | M30 F31 P75 K76 K77 R82 A83 L84 Y337 | M30-A80 HydrophobicContact CE-CB 4.4Å; F31-A80 HydrophobicContact CZ-CB 4.29Å; P75-A80 HydrophobicContact CG-CB 4.1Å; K76-A80 PolarHBondContact O-N 3.36Å; K76-A80 VanDerWaalsContact O-N 3.09Å; K77-A80 PolarHBondContact O-N 3.26Å; A80-R82 VanDerWaalsContact C-N 3.31Å; A80-R82 PolarHBondContact O-N 2.81Å; A80-A83 WeakPolarHBondContact O-CB 3.49Å; A80-A83 PolarHBondContact O-N 2.82Å; A80-A83 VanDerWaalsContact O-N 3.07Å; A80-L84 VanDerWaalsContact O-CG 3.29Å; A80-L84 WeakPolarHBondContact O-CG 3.09Å; A80-L84 PolarHBondContact O-N 3.39Å; A80-Y337 HydrophobicContact CB-CE2 4.15Å; A80-Y337 WeakPolarHBondContact CB-OH 3.2Å |
| 81 | L | 94.9 | Very high | 93.6 | Very high | 12 Ų | 12 | 52.9 Ų | 52.9 | 6% | 0.063 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.3 | -33.5 | 179.2 | -69.6 | 176.8 | 0 | 0 | 0 | 113.1 | K77 E79 A83 L84 D85 R334 Y337 R514 | K77-L81 HydrophobicContact CG-CD1 3.89Å; K77-L81 HydrophobicContact CG-CG 4.26Å; K77-L81 WeakPolarHBondContact O-CB 3.44Å; K77-L81 VanDerWaalsContact O-CG 3.28Å; K77-L81 WeakPolarHBondContact O-CG 3.5Å; K77-L81 PolarHBondContact O-N 3.04Å; E79-L81 PolarHBondContact O-N 3.16Å; L81-A83 VanDerWaalsContact C-N 3.32Å; L81-A83 PolarHBondContact O-N 3.1Å; L81-L84 HydrophobicContact CD2-CD1 4.47Å; L81-L84 PolarHBondContact O-N 2.86Å; L81-D85 VanDerWaalsContact O-CB 3.31Å; L81-D85 WeakPolarHBondContact O-CB 3.48Å; L81-D85 PolarHBondContact O-N 2.76Å; L81-R334 VanDerWaalsContact CD2-CZ 3.49Å; L81-Y337 HydrophobicContact CD2-CD2 3.99Å; L81-Y337 HydrophobicContact CD2-CE2 4.3Å; L81-Y337 HydrophobicContact CG-CD2 4.41Å; L81-Y337 HydrophobicContact CG-CE2 4.41Å; L81-R514 HydrophobicContact CD1-CG 4.02Å |
| 82 | R | 93.6 | Very high | 93.5 | Very high | 93 Ų | 93 | 56.6 Ų | 56.6 | 35% | 0.351 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 172.7 | -77 | -171.7 | -52.7 | -143.8 | 0 | 111.8 | H78 E79 A80 R86 Q88 | H78-R82 WeakPolarHBondContact O-CG 3.44Å; H78-R82 PolarHBondContact O-N 2.92Å; E79-R82 PolarHBondContact O-N 3.46Å; A80-R82 VanDerWaalsContact C-N 3.31Å; A80-R82 PolarHBondContact O-N 2.81Å; R82-R86 CarbonylContact O-C 3.29Å; R82-R86 WeakPolarHBondContact O-CA 3.31Å; R82-R86 VanDerWaalsContact O-CB 3.28Å; R82-R86 WeakPolarHBondContact O-CB 3.46Å; R82-R86 PolarHBondContact O-N 3.36Å; R82-R86 VanDerWaalsContact O-N 3.14Å; R82-Q88 HydrophobicContact CB-CB 4.34Å; R82-Q88 HydrophobicContact CB-CG 4.42Å; R82-Q88 VanDerWaalsContact CD-OE1 3.26Å; R82-Q88 PolarHBondContact O-N 3.34Å |
| 83 | A | 92.3 | Very high | 93.4 | Very high | 16 Ų | 16 | 58.7 Ų | 58.7 | 13% | 0.132 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.9 | -47.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | M30 E79 A80 L81 G87 Q88 | M30-A83 HydrophobicContact CE-CB 4.02Å; M30-A83 HydrophobicContact SD-CB 3.95Å; E79-A83 PolarHBondContact O-N 3.03Å; A80-A83 WeakPolarHBondContact O-CB 3.49Å; A80-A83 PolarHBondContact O-N 2.82Å; A80-A83 VanDerWaalsContact O-N 3.07Å; L81-A83 VanDerWaalsContact C-N 3.32Å; L81-A83 PolarHBondContact O-N 3.1Å; A83-G87 PolarHBondContact O-N 3.01Å; A83-Q88 WeakPolarHBondContact CA-O 3.34Å |
| 84 | L | 91.3 | Very high | 93.4 | Very high | 8 Ų | 8 | 58.5 Ų | 58.5 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.6 | -38.4 | -175.2 | -67.5 | 170.4 | 0 | 0 | 0 | 114 | W23 M30 F31 A80 L81 D327 | W23-L84 PolarHBondContact NE1-O 3.23Å; M30-L84 HydrophobicContact CE-CD1 4.32Å; M30-L84 HydrophobicContact CE-CD2 3.64Å; M30-L84 HydrophobicContact CE-CG 3.67Å; F31-L84 HydrophobicContact CE2-CD1 4.1Å; F31-L84 HydrophobicContact CE2-CD2 4.49Å; F31-L84 HydrophobicContact CZ-CD1 4.02Å; A80-L84 VanDerWaalsContact O-CG 3.29Å; A80-L84 WeakPolarHBondContact O-CG 3.09Å; A80-L84 PolarHBondContact O-N 3.39Å; L81-L84 HydrophobicContact CD2-CD1 4.47Å; L81-L84 PolarHBondContact O-N 2.86Å; L84-D327 HydrophobicContact CD1-CB 4.23Å |
| 85 | D | 90 | Very high | 93.5 | Very high | 79 Ų | 79 | 56.6 Ų | 56.6 | 42% | 0.422 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -109.6 | -21 | -168.7 | -59.6 | -22.1 | 0 | 0 | 0 | 113.2 | L81 R329 R334 | L81-D85 VanDerWaalsContact O-CB 3.31Å; L81-D85 WeakPolarHBondContact O-CB 3.48Å; L81-D85 PolarHBondContact O-N 2.76Å; D85-R329 IonicContact OD1-NH2 3.61Å; D85-R329 PolarHBondContact OD1-NH2 3.4Å; D85-R334 IonicContact OD1-CZ 2.74Å; D85-R334 IonicContact OD1-NH1 2.8Å; D85-R334 PolarHBondContact OD1-NH1 3.11Å; D85-R334 IonicContact OD1-NH2 3.97Å; D85-R334 PolarHBondContact OD1-NH2 3.45Å; D85-R334 IonicContact OD2-CZ 2.68Å; D85-R334 IonicContact OD2-NH1 2.88Å; D85-R334 PolarHBondContact OD2-NH1 3.16Å; D85-R334 IonicContact OD2-NH2 3.18Å; D85-R334 PolarHBondContact OD2-NH2 2.87Å |
| 86 | R | 86.4 | Confident | 93.6 | Very high | 172 Ų | 172 | 56 Ų | 56 | 65% | 0.649 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -119.3 | 5.9 | -175.1 | -48.4 | -178.3 | -175.8 | -174 | -2.2 | 113.4 | R82 Q88 | R82-R86 CarbonylContact O-C 3.29Å; R82-R86 WeakPolarHBondContact O-CA 3.31Å; R82-R86 VanDerWaalsContact O-CB 3.28Å; R82-R86 WeakPolarHBondContact O-CB 3.46Å; R82-R86 PolarHBondContact O-N 3.36Å; R82-R86 VanDerWaalsContact O-N 3.14Å; R86-Q88 HydrophobicContact CB-CG 4.19Å; R86-Q88 PolarHBondContact O-N 2.8Å |
| 87 | G | 83 | Confident | 93.7 | Very high | 74 Ų | 74 | 50.7 Ų | 50.7 | 76% | 0.763 | 27% | 0.272 | S | S | * | . | trans | 61.5 | 23.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | A83 | A83-G87 PolarHBondContact O-N 3.01Š| ||
| 88 | Q | 87.9 | Confident | 93.7 | Very high | 96 Ų | 96 | 50.5 Ų | 50.5 | 45% | 0.449 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 165.5 | 176.8 | -64.3 | -168.8 | -3.2 | 0 | 0 | 111.3 | R82 A83 R86 | R82-Q88 HydrophobicContact CB-CB 4.34Å; R82-Q88 HydrophobicContact CB-CG 4.42Å; R82-Q88 VanDerWaalsContact CD-OE1 3.26Å; R82-Q88 PolarHBondContact O-N 3.34Å; A83-Q88 WeakPolarHBondContact CA-O 3.34Å; R86-Q88 HydrophobicContact CB-CG 4.19Å; R86-Q88 PolarHBondContact O-N 2.8Å |
| 89 | A | 89.3 | Confident | 93.8 | Very high | 92 Ų | 92 | 47.4 Ų | 47.4 | 76% | 0.76 | 26% | 0.257 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 143.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 90 | K | 91.5 | Very high | 93.8 | Very high | 91 Ų | 91 | 45.2 Ų | 45.2 | 40% | 0.396 | 25% | 0.247 | S | C | . | . | P | Polyproline II helix | trans | -62.1 | 139.6 | 176.2 | -52.7 | -176.7 | -155.5 | -165.3 | 0 | 109.4 | H25 H26 M30 | H25-K90 PolarHBondContact O-NZ 2.96Å; H26-K90 VanDerWaalsContact O-CD 3.23Å; H26-K90 WeakPolarHBondContact O-CD 3.4Å; H26-K90 WeakPolarHBondContact O-CE 3.35Å; H26-K90 PolarHBondContact O-NZ 3.39Å; M30-K90 HydrophobicContact CG-CB 4.29Å; M30-K90 HydrophobicContact CG-CD 4.14Å; M30-K90 HydrophobicContact CG-CG 4.31Å; M30-K90 HydrophobicContact SD-CB 4.11Å; M30-K90 HydrophobicContact SD-CG 4.28Å |
| 91 | P | 94.3 | Very high | 93.9 | Very high | 20 Ų | 20 | 45.9 Ų | 45.9 | 13% | 0.13 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -57 | 150.5 | 168.2 | 24.8 | -32.1 | 0 | 0 | 0 | 110.4 | M30 P75 E79 R93 | M30-P91 WeakPolarHBondContact SD-CD 3.47Å; M30-P91 HydrophobicContact SD-CG 4Å; P75-P91 HydrophobicContact CB-CB 3.87Å; P75-P91 HydrophobicContact CB-CG 3.35Å; P75-P91 HydrophobicContact CG-CG 3.92Å; E79-P91 HydrophobicContact CB-CB 4.11Å; E79-P91 HydrophobicContact CB-CG 4.31Å; P91-R93 PolarHBondContact O-N 2.71Å |
| 92 | P | 95.1 | Very high | 93.9 | Very high | 84 Ų | 84 | 45.4 Ų | 45.4 | 55% | 0.545 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -53.9 | 130.5 | 175.1 | -24.5 | 33.9 | 0 | 0 | 0 | 111 | P116 | P92-P116 HydrophobicContact CB-CB 4.22Š|
| 93 | R | 97.5 | Very high | 93.9 | Very high | 48 Ų | 48 | 45.3 Ų | 45.3 | 18% | 0.181 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 131.5 | 176.8 | -171.7 | 172.1 | 165.3 | 82 | 2.4 | 109.4 | P29 A32 D33 E38 L72 P91 P116 L117 | P29-R93 PolarHBondContact O-NH1 2.93Å; A32-R93 VanDerWaalsContact O-CZ 3.25Å; A32-R93 PolarHBondContact O-NH1 3Å; A32-R93 PolarHBondContact O-NH2 3.35Å; D33-R93 PolarHBondContact O-NH2 3.5Å; E38-R93 VanDerWaalsContact OE1-CD 3.29Å; E38-R93 WeakPolarHBondContact OE1-CD 3.26Å; E38-R93 IonicContact OE1-CZ 3.91Å; E38-R93 IonicContact OE1-NE 2.81Å; E38-R93 PolarHBondContact OE1-NE 2.89Å; E38-R93 IonicContact OE1-NH2 3.9Å; E38-R93 IonicContact OE2-CZ 3.44Å; E38-R93 IonicContact OE2-NE 2.83Å; E38-R93 PolarHBondContact OE2-NE 3.11Å; E38-R93 IonicContact OE2-NH2 3.97Å; E38-R93 PolarHBondContact OE2-NH2 2.85Å; L72-R93 HydrophobicContact CD1-CG 4.12Å; L72-R93 VanDerWaalsContact CD1-NH1 3.28Å; P91-R93 PolarHBondContact O-N 2.71Å; R93-P116 CarbonylContact O-C 3.6Å; R93-P116 WeakPolarHBondContact O-CA 3.44Å; R93-L117 HydrophobicContact CB-CB 4.23Å; R93-L117 HydrophobicContact CG-CB 4.22Å; R93-L117 HydrophobicContact CG-CD1 4.22Å; R93-L117 PolarHBondContact O-N 3.02Å |
| 94 | Q | 98.5 | Very high | 94 | Very high | 50 Ų | 50 | 48.2 Ų | 48.2 | 23% | 0.234 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 160 | -173.7 | -64.2 | 175.5 | -64.7 | 0 | 0 | 110.7 | H73 I113 V114 | H73-Q94 HydrophobicContact CB-CB 4.09Å; H73-Q94 PolarHBondContact N-O 2.91Å; Q94-I113 HydrophobicContact CB-CG2 3.73Å; Q94-I113 HydrophobicContact CG-CG2 4.12Å; Q94-V114 CarbonylContact C-O 3.59Å; Q94-V114 WeakPolarHBondContact CA-O 3.15Å |
| 95 | A | 98.8 | Very high | 94 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 141.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L34 I42 E71 V97 I113 V114 L117 | L34-A95 HydrophobicContact CD1-CB 3.79Å; L34-A95 HydrophobicContact CD2-CB 4.14Å; I42-A95 HydrophobicContact CD1-CB 3.36Å; I42-A95 HydrophobicContact CG1-CB 4.28Å; E71-A95 CarbonylContact O-C 3.56Å; E71-A95 WeakPolarHBondContact O-CA 3.46Å; A95-V97 HydrophobicContact CB-CG2 4.24Å; A95-I113 CarbonylContact O-C 3.54Å; A95-I113 WeakPolarHBondContact O-CA 3.46Å; A95-V114 PolarHBondContact N-O 2.83Å; A95-V114 PolarHBondContact O-N 3.03Å; A95-L117 HydrophobicContact CB-CD1 4.19Å |
| 96 | R | 98.6 | Very high | 94.1 | Very high | 5 Ų | 5 | 56 Ų | 56 | 2% | 0.019 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 122.7 | 162.2 | 176.6 | -169.2 | 176.9 | -138.9 | 1.2 | 107 | E71 H73 E111 Y112 I113 R126 | E71-R96 HydrophobicContact CG-CB 4.11Å; E71-R96 PolarHBondContact N-O 3.24Å; E71-R96 PolarHBondContact O-N 3.22Å; E71-R96 WeakPolarHBondContact OE1-CD 3.41Å; E71-R96 IonicContact OE1-CZ 3.53Å; E71-R96 IonicContact OE1-NE 2.99Å; E71-R96 IonicContact OE1-NH1 3.7Å; E71-R96 PolarHBondContact OE1-NH1 3.44Å; H73-R96 HydrophobicContact CB-CB 4.36Å; R96-E111 IonicContact CZ-OE1 3.85Å; R96-E111 IonicContact CZ-OE2 3.21Å; R96-E111 VanDerWaalsContact NE-CD 3.34Å; R96-E111 IonicContact NE-OE1 2.76Å; R96-E111 PolarHBondContact NE-OE1 3.15Å; R96-E111 IonicContact NE-OE2 3.41Å; R96-E111 PolarHBondContact NE-OE2 3.13Å; R96-E111 IonicContact NH2-OE1 2.7Å; R96-E111 PolarHBondContact NH2-OE1 3.43Å; R96-E111 IonicContact NH2-OE2 2.77Å; R96-Y112 CarbonylContact C-O 3.57Å; R96-Y112 WeakPolarHBondContact CA-O 3.1Å; R96-I113 HydrophobicContact CB-CD1 4.25Å; R96-R126 VanDerWaalsContact NE-NH1 3.18Å |
| 97 | V | 98.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 131.9 | 177.7 | -173.9 | 0 | 0 | 0 | 0 | 109 | I42 L46 I67 L69 M70 A95 I99 E111 Y112 V114 | I42-V97 HydrophobicContact CG2-CG2 3.63Å; L46-V97 HydrophobicContact CD1-CB 4.27Å; L46-V97 HydrophobicContact CD1-CG1 3.67Å; L46-V97 HydrophobicContact CD1-CG2 4.24Å; I67-V97 HydrophobicContact CG2-CG1 3.63Å; L69-V97 CarbonylContact O-C 3.54Å; L69-V97 VanDerWaalsContact O-CA 3.32Å; L69-V97 WeakPolarHBondContact O-CA 3.49Å; M70-V97 HydrophobicContact CG-CG1 4.19Å; M70-V97 HydrophobicContact CG-CG2 4.25Å; A95-V97 HydrophobicContact CB-CG2 4.24Å; V97-I99 HydrophobicContact CG1-CG1 4.16Å; V97-E111 CarbonylContact O-C 3.07Å; V97-E111 WeakPolarHBondContact O-CA 3.31Å; V97-Y112 PolarHBondContact N-O 2.64Å; V97-Y112 PolarHBondContact O-N 3.23Å; V97-V114 HydrophobicContact CB-CG2 4.18Å; V97-V114 HydrophobicContact CG2-CB 4.23Å; V97-V114 HydrophobicContact CG2-CG2 3.67Å |
| 98 | I | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 124.4 | 177.5 | -51.6 | -177.7 | 0 | 0 | 0 | 107.9 | L68 L69 I109 E111 I627 F628 | L68-I98 HydrophobicContact CB-CB 4.43Å; L68-I98 HydrophobicContact CB-CG2 4.39Å; L68-I98 HydrophobicContact CD2-CG2 4.16Å; L68-I98 PolarHBondContact N-O 3.44Å; L69-I98 HydrophobicContact CB-CB 4.11Å; L69-I98 HydrophobicContact CB-CD1 3.99Å; L69-I98 HydrophobicContact CB-CG1 4.07Å; L69-I98 HydrophobicContact CD2-CD1 3.59Å; L69-I98 HydrophobicContact CD2-CG1 4.23Å; L69-I98 HydrophobicContact CG-CD1 4.41Å; L69-I98 PolarHBondContact N-O 3.1Å; L69-I98 PolarHBondContact O-N 3.47Å; I98-I109 HydrophobicContact CG2-CD1 3.71Å; I98-I109 HydrophobicContact CG2-CG1 3.63Å; I98-E111 HydrophobicContact CG1-CG 4.17Å; I98-I627 HydrophobicContact CD1-CD1 3.29Å; I98-I627 HydrophobicContact CD1-CG1 4.24Å; I98-F628 HydrophobicContact CD1-CZ 4.14Å; I98-F628 HydrophobicContact CG2-CE1 4.33Å; I98-F628 HydrophobicContact CG2-CZ 4.19Å |
| 99 | I | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 129.1 | 179.1 | -56.1 | -177.5 | 0 | 0 | 0 | 108.6 | L46 M52 L54 S66 I67 V97 F101 I109 T110 Y112 | L46-I99 HydrophobicContact CD1-CD1 4.34Å; M52-I99 HydrophobicContact SD-CD1 4Å; L54-I99 HydrophobicContact CD1-CD1 4.49Å; L54-I99 HydrophobicContact CD2-CD1 4.37Å; L54-I99 HydrophobicContact CD2-CG2 3.63Å; S66-I99 WeakPolarHBondContact O-CA 3.47Å; S66-I99 WeakPolarHBondContact O-CG2 3.38Å; I67-I99 HydrophobicContact CG1-CG1 4.47Å; V97-I99 HydrophobicContact CG1-CG1 4.16Å; I99-F101 HydrophobicContact CB-CD2 4.44Å; I99-F101 HydrophobicContact CB-CE2 3.88Å; I99-F101 HydrophobicContact CB-CZ 4.16Å; I99-F101 HydrophobicContact CD1-CZ 4.48Å; I99-F101 HydrophobicContact CG2-CD1 4.33Å; I99-F101 HydrophobicContact CG2-CD2 4Å; I99-F101 HydrophobicContact CG2-CE1 3.95Å; I99-F101 HydrophobicContact CG2-CE2 3.62Å; I99-F101 HydrophobicContact CG2-CG 4.35Å; I99-F101 HydrophobicContact CG2-CZ 3.58Å; I99-I109 WeakPolarHBondContact O-CA 3.45Å; I99-T110 PolarHBondContact N-O 2.72Å; I99-T110 PolarHBondContact O-N 2.98Å; I99-Y112 HydrophobicContact CB-CD2 4.47Å; I99-Y112 HydrophobicContact CB-CE2 4.22Å; I99-Y112 HydrophobicContact CD1-CD2 3.77Å; I99-Y112 HydrophobicContact CD1-CE2 3.78Å; I99-Y112 HydrophobicContact CG1-CD2 4.03Å; I99-Y112 HydrophobicContact CG1-CE2 4.16Å |
| 100 | Q | 96.6 | Very high | 95.8 | Very high | 9 Ų | 9 | 41.3 Ų | 41.3 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 124.2 | 168.7 | -68.3 | 176.5 | -6.6 | 0 | 0 | 108.3 | N65 S66 L68 I109 F136 | N65-Q100 CarbonylContact C-O 3.57Å; N65-Q100 WeakPolarHBondContact CA-O 3.39Å; S66-Q100 PolarHBondContact N-O 3.17Å; S66-Q100 PolarHBondContact O-N 3Å; L68-Q100 HydrophobicContact CB-CG 4.15Å; L68-Q100 HydrophobicContact CD2-CG 4.33Å; Q100-I109 HydrophobicContact CG-CD1 3.92Å; Q100-I109 HydrophobicContact CG-CG1 4.3Å; Q100-F136 HydrophobicContact CB-CE2 4.31Å |
| 101 | F | 96.7 | Very high | 96.1 | Very high | 14 Ų | 14 | 37.2 Ų | 37.2 | 6% | 0.061 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 83 | 174.9 | -68.2 | -82 | 0 | 0 | 0 | 110 | M52 N65 I99 Q104 P107 N108 Y112 | M52-F101 HydrophobicContact CB-CE1 4.38Å; N65-F101 HydrophobicContact CB-CD1 4.03Å; N65-F101 VanDerWaalsContact OD1-CA 3.3Å; N65-F101 WeakPolarHBondContact OD1-CA 3.26Å; I99-F101 HydrophobicContact CB-CD2 4.44Å; I99-F101 HydrophobicContact CB-CE2 3.88Å; I99-F101 HydrophobicContact CB-CZ 4.16Å; I99-F101 HydrophobicContact CD1-CZ 4.48Å; I99-F101 HydrophobicContact CG2-CD1 4.33Å; I99-F101 HydrophobicContact CG2-CD2 4Å; I99-F101 HydrophobicContact CG2-CE1 3.95Å; I99-F101 HydrophobicContact CG2-CE2 3.62Å; I99-F101 HydrophobicContact CG2-CG 4.35Å; I99-F101 HydrophobicContact CG2-CZ 3.58Å; F101-Q104 HydrophobicContact CB-CG 4.4Å; F101-P107 WeakPolarHBondContact O-CA 3.47Å; F101-N108 WeakPolarHBondContact CD2-OD1 3.2Å; F101-N108 PolarHBondContact N-O 3.05Å; F101-N108 PolarHBondContact O-N 2.78Å; F101-N108 VanDerWaalsContact O-N 3.13Å; F101-Y112 AromaticContact CE2-CE2 3.93Å; F101-Y112 HydrophobicContact CE2-CE2 3.93Å; F101-Y112 HydrophobicContact CZ-CE2 4.2Å |
| 102 | G | 95.3 | Very high | 96.2 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | trans | -87.8 | -19.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | R64 N65 Q104 L225 | R64-G102 VanDerWaalsContact O-CA 3.27Å; R64-G102 WeakPolarHBondContact O-CA 3.41Å; R64-G102 PolarHBondContact O-N 2.94Å; N65-G102 PolarHBondContact OD1-N 3.18Å; G102-Q104 VanDerWaalsContact C-N 3.33Å; G102-Q104 PolarHBondContact O-N 3.48Å; G102-L225 WeakPolarHBondContact O-CD1 3.28Å | ||
| 103 | N | 94.6 | Very high | 96.4 | Very high | 90 Ų | 90 | 33.8 Ų | 33.8 | 48% | 0.481 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -93.2 | 57.7 | -177.6 | -166.2 | 10.5 | 0 | 0 | 0 | 112.4 | K63 N65 | K63-N103 WeakPolarHBondContact O-CB 3.29Å; N65-N103 WeakPolarHBondContact OD1-CB 3.35Å; N65-N103 PolarHBondContact OD1-N 3.26Å |
| 104 | Q | 93.8 | Very high | 96.5 | Very high | 78 Ų | 78 | 31.5 Ų | 31.5 | 36% | 0.364 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -155.4 | 166.3 | 177.8 | 58.7 | -175.2 | 50.4 | 0 | 0 | 111.4 | F101 G102 T106 N108 | F101-Q104 HydrophobicContact CB-CG 4.4Å; G102-Q104 VanDerWaalsContact C-N 3.33Å; G102-Q104 PolarHBondContact O-N 3.48Å; Q104-T106 PolarHBondContact NE2-O 3.19Å; Q104-T106 PolarHBondContact O-N 2.96Å; Q104-N108 PolarHBondContact NE2-ND2 3.39Å |
| 105 | T | 91.2 | Very high | 96.4 | Very high | 146 Ų | 146 | 29.1 Ų | 29.1 | 90% | 0.896 | 16% | 0.163 | S | C | * | . | S | Bend | trans | -60.6 | -32.2 | -176 | 51.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 106 | T | 93.4 | Very high | 96.4 | Very high | 104 Ų | 104 | 32 Ų | 32 | 64% | 0.638 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -129.7 | 92.1 | 177 | -52.1 | 0 | 0 | 0 | 0 | 107.8 | Q104 | Q104-T106 PolarHBondContact NE2-O 3.19Å; Q104-T106 PolarHBondContact O-N 2.96Å |
| 107 | P | 95.4 | Very high | 96.3 | Very high | 40 Ų | 40 | 32.7 Ų | 32.7 | 26% | 0.26 | 19% | 0.186 | S | C | . | . | trans | -52.7 | 143.6 | 179.9 | -29.3 | 37 | 0 | 0 | 0 | 112.2 | F101 F136 L225 | F101-P107 WeakPolarHBondContact O-CA 3.47Å; P107-F136 HydrophobicContact CB-CB 4.09Å; P107-F136 HydrophobicContact CB-CD1 3.58Å; P107-F136 HydrophobicContact CB-CD2 3.77Å; P107-F136 HydrophobicContact CB-CE1 3.88Å; P107-F136 HydrophobicContact CB-CE2 4.03Å; P107-F136 HydrophobicContact CB-CG 3.51Å; P107-F136 HydrophobicContact CB-CZ 4.08Å; P107-L225 HydrophobicContact CB-CD1 4.11Å; P107-L225 HydrophobicContact CG-CD1 3.56Å | ||
| 108 | N | 94.5 | Very high | 96.3 | Very high | 52 Ų | 52 | 36.7 Ų | 36.7 | 28% | 0.278 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 166.8 | 176 | 75.6 | 44.7 | 0 | 0 | 0 | 111.9 | F101 Q104 T110 F136 | F101-N108 WeakPolarHBondContact CD2-OD1 3.2Å; F101-N108 PolarHBondContact N-O 3.05Å; F101-N108 PolarHBondContact O-N 2.78Å; F101-N108 VanDerWaalsContact O-N 3.13Å; Q104-N108 PolarHBondContact NE2-ND2 3.39Å; N108-T110 PolarHBondContact OD1-OG1 2.95Å; N108-T110 VanDerWaalsContact OD1-OG1 3.07Å; N108-F136 VanDerWaalsContact C-CD2 3.48Å; N108-F136 WeakPolarHBondContact O-CD2 3.49Å |
| 109 | I | 95.5 | Very high | 96.2 | Very high | 8 Ų | 8 | 40.2 Ų | 40.2 | 4% | 0.041 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 129.5 | 171.6 | -171.3 | 162.6 | 0 | 0 | 0 | 108.4 | L68 I98 I99 Q100 V134 R139 F628 | L68-I109 HydrophobicContact CD2-CD1 4.07Å; I98-I109 HydrophobicContact CG2-CD1 3.71Å; I98-I109 HydrophobicContact CG2-CG1 3.63Å; I99-I109 WeakPolarHBondContact O-CA 3.45Å; Q100-I109 HydrophobicContact CG-CD1 3.92Å; Q100-I109 HydrophobicContact CG-CG1 4.3Å; I109-V134 HydrophobicContact CG2-CB 3.61Å; I109-V134 HydrophobicContact CG2-CG1 3.34Å; I109-R139 HydrophobicContact CD1-CB 3.8Å; I109-F628 HydrophobicContact CD1-CD1 4.21Å; I109-F628 HydrophobicContact CD1-CE1 3.47Å; I109-F628 VanDerWaalsContact CD1-CE1 3.47Å; I109-F628 HydrophobicContact CD1-CZ 4.25Å; I109-F628 HydrophobicContact CG1-CE1 4.12Å; I109-F628 HydrophobicContact CG1-CZ 4.47Å; I109-F628 HydrophobicContact CG2-CE1 4.41Å |
| 110 | T | 95.7 | Very high | 96.2 | Very high | 25 Ų | 25 | 41 Ų | 41 | 15% | 0.153 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 134.7 | -173.6 | -58.1 | 0 | 0 | 0 | 0 | 110.5 | I99 N108 Y112 V125 | I99-T110 PolarHBondContact N-O 2.72Å; I99-T110 PolarHBondContact O-N 2.98Å; N108-T110 PolarHBondContact OD1-OG1 2.95Å; N108-T110 VanDerWaalsContact OD1-OG1 3.07Å; T110-Y112 HydrophobicContact CG2-CD2 4.14Å; T110-Y112 HydrophobicContact CG2-CE1 4.24Å; T110-Y112 HydrophobicContact CG2-CE2 3.54Å; T110-V125 HydrophobicContact CG2-CG1 3.85Å; T110-V125 HydrophobicContact CG2-CG2 4.19Å |
| 111 | E | 97.1 | Very high | 96.3 | Very high | 5 Ų | 5 | 50.4 Ų | 50.4 | 2% | 0.023 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 134.8 | 170.6 | -61.1 | -160.7 | -171.8 | 0 | 0 | 110.7 | R96 V97 I98 R126 F128 F628 | R96-E111 IonicContact CZ-OE1 3.85Å; R96-E111 IonicContact CZ-OE2 3.21Å; R96-E111 VanDerWaalsContact NE-CD 3.34Å; R96-E111 IonicContact NE-OE1 2.76Å; R96-E111 PolarHBondContact NE-OE1 3.15Å; R96-E111 IonicContact NE-OE2 3.41Å; R96-E111 PolarHBondContact NE-OE2 3.13Å; R96-E111 IonicContact NH2-OE1 2.7Å; R96-E111 PolarHBondContact NH2-OE1 3.43Å; R96-E111 IonicContact NH2-OE2 2.77Å; V97-E111 CarbonylContact O-C 3.07Å; V97-E111 WeakPolarHBondContact O-CA 3.31Å; I98-E111 HydrophobicContact CG1-CG 4.17Å; E111-R126 HydrophobicContact CB-CB 3.93Å; E111-R126 PolarHBondContact O-N 3.14Å; E111-R126 WeakPolarHBondContact OE2-CD 3.47Å; E111-R126 IonicContact OE2-CZ 3.24Å; E111-R126 IonicContact OE2-NE 3.64Å; E111-R126 IonicContact OE2-NH1 3.96Å; E111-R126 PolarHBondContact OE2-NH1 3.41Å; E111-F128 WeakPolarHBondContact OE1-CZ 3.34Å; E111-F628 HydrophobicContact CG-CE2 4.47Å; E111-F628 HydrophobicContact CG-CZ 4.33Å; E111-F628 VanDerWaalsContact OE1-CE2 3.24Å; E111-F628 WeakPolarHBondContact OE1-CE2 3.37Å |
| 112 | Y | 98 | Very high | 96.3 | Very high | 26 Ų | 26 | 52.7 Ų | 52.7 | 10% | 0.102 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 142.1 | 174.3 | -65.5 | -88 | 0 | 0 | 0 | 110.9 | M52 R96 V97 I99 F101 T110 H123 E124 V125 | M52-Y112 HydrophobicContact CE-CE1 4.42Å; R96-Y112 CarbonylContact C-O 3.57Å; R96-Y112 WeakPolarHBondContact CA-O 3.1Å; V97-Y112 PolarHBondContact N-O 2.64Å; V97-Y112 PolarHBondContact O-N 3.23Å; I99-Y112 HydrophobicContact CB-CD2 4.47Å; I99-Y112 HydrophobicContact CB-CE2 4.22Å; I99-Y112 HydrophobicContact CD1-CD2 3.77Å; I99-Y112 HydrophobicContact CD1-CE2 3.78Å; I99-Y112 HydrophobicContact CG1-CD2 4.03Å; I99-Y112 HydrophobicContact CG1-CE2 4.16Å; F101-Y112 AromaticContact CE2-CE2 3.93Å; F101-Y112 HydrophobicContact CE2-CE2 3.93Å; F101-Y112 HydrophobicContact CZ-CE2 4.2Å; T110-Y112 HydrophobicContact CG2-CD2 4.14Å; T110-Y112 HydrophobicContact CG2-CE1 4.24Å; T110-Y112 HydrophobicContact CG2-CE2 3.54Å; Y112-H123 HydrophobicContact CD1-CB 4.4Å; Y112-H123 AromaticContact CD1-CD2 3.7Å; Y112-H123 AromaticContact CE1-CD2 3.82Å; Y112-E124 CarbonylContact C-O 3.59Å; Y112-E124 WeakPolarHBondContact CA-O 3.42Å; Y112-V125 HydrophobicContact CD1-CG2 4.06Å; Y112-V125 HydrophobicContact CE1-CG2 3.57Å |
| 113 | I | 98.4 | Very high | 96.5 | Very high | 6 Ų | 6 | 56 Ų | 56 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 116.9 | 161.2 | -54.6 | -49.1 | 0 | 0 | 0 | 107.8 | H73 Q94 A95 R96 H123 E124 R126 | H73-I113 HydrophobicContact CB-CD1 4.11Å; H73-I113 HydrophobicContact CB-CG2 4.41Å; H73-I113 WeakPolarHBondContact ND1-CD1 3.41Å; Q94-I113 HydrophobicContact CB-CG2 3.73Å; Q94-I113 HydrophobicContact CG-CG2 4.12Å; A95-I113 CarbonylContact O-C 3.54Å; A95-I113 WeakPolarHBondContact O-CA 3.46Å; R96-I113 HydrophobicContact CB-CD1 4.25Å; I113-H123 CarbonylContact O-C 3.59Å; I113-H123 VanDerWaalsContact O-CA 3.27Å; I113-H123 WeakPolarHBondContact O-CA 3.35Å; I113-E124 HydrophobicContact CB-CG 3.78Å; I113-E124 HydrophobicContact CG1-CG 4.43Å; I113-E124 PolarHBondContact N-O 3.36Å; I113-E124 PolarHBondContact O-N 3.48Å; I113-R126 HydrophobicContact CD1-CB 4.33Å; I113-R126 HydrophobicContact CG1-CB 4.23Å |
| 114 | V | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 132.5 | -176.1 | -176.3 | 0 | 0 | 0 | 0 | 109.5 | I42 Y45 L46 Q94 A95 V97 P120 H123 | I42-V114 HydrophobicContact CG1-CG1 4.47Å; I42-V114 HydrophobicContact CG2-CG1 4.28Å; Y45-V114 HydrophobicContact CD1-CG1 3.78Å; Y45-V114 HydrophobicContact CE1-CG1 3.85Å; L46-V114 HydrophobicContact CD1-CG2 4.33Å; L46-V114 HydrophobicContact CD2-CG2 4.1Å; Q94-V114 CarbonylContact C-O 3.59Å; Q94-V114 WeakPolarHBondContact CA-O 3.15Å; A95-V114 PolarHBondContact N-O 2.83Å; A95-V114 PolarHBondContact O-N 3.03Å; V97-V114 HydrophobicContact CB-CG2 4.18Å; V97-V114 HydrophobicContact CG2-CB 4.23Å; V97-V114 HydrophobicContact CG2-CG2 3.67Å; V114-P120 HydrophobicContact CG1-CB 3.74Å; V114-H123 HydrophobicContact CG2-CB 4.05Å |
| 115 | G | 97.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.2 | -169.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | R121 S122 | G115-R121 PolarHBondContact O-N 2.77Å; G115-R121 VanDerWaalsContact O-N 3.11Å; G115-S122 PolarHBondContact N-O 2.9Å; G115-S122 PolarHBondContact O-N 2.81Å; G115-S122 VanDerWaalsContact O-O 3.04Å; G115-S122 PolarHBondContact O-OG 3.31Å |
| 116 | P | 97.8 | Very high | 96.7 | Very high | 60 Ų | 60 | 53.6 Ų | 53.6 | 39% | 0.39 | 29% | 0.287 | S | S | . | . | S | Bend | cis | -71.3 | 152.3 | -11.2 | 31.9 | -35.5 | 0 | 0 | 0 | 112 | P92 R93 S119 P120 | P92-P116 HydrophobicContact CB-CB 4.22Å; R93-P116 CarbonylContact O-C 3.6Å; R93-P116 WeakPolarHBondContact O-CA 3.44Å; P116-S119 CarbonylContact O-C 3.59Å; P116-S119 PolarHBondContact O-N 2.96Å; P116-S119 VanDerWaalsContact O-O 3.05Å; P116-P120 VanDerWaalsContact O-CA 3.28Å; P116-P120 WeakPolarHBondContact O-CA 3.3Å |
| 117 | L | 98.1 | Very high | 96.5 | Very high | 19 Ų | 19 | 52.8 Ų | 52.8 | 10% | 0.099 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -89.4 | 150.3 | 175 | -63.6 | 175.6 | 0 | 0 | 0 | 111.4 | L34 E38 I42 R93 A95 P120 | L34-L117 HydrophobicContact CD2-CD1 3.45Å; L34-L117 VanDerWaalsContact CD2-CD1 3.45Å; E38-L117 HydrophobicContact CB-CD1 4.33Å; E38-L117 HydrophobicContact CB-CD2 4.45Å; E38-L117 HydrophobicContact CG-CB 4.33Å; E38-L117 HydrophobicContact CG-CD1 4.37Å; I42-L117 HydrophobicContact CD1-CD1 4.22Å; I42-L117 HydrophobicContact CD1-CD2 3.78Å; I42-L117 HydrophobicContact CG1-CD2 3.58Å; R93-L117 HydrophobicContact CB-CB 4.23Å; R93-L117 HydrophobicContact CG-CB 4.22Å; R93-L117 HydrophobicContact CG-CD1 4.22Å; R93-L117 PolarHBondContact O-N 3.02Å; A95-L117 HydrophobicContact CB-CD1 4.19Å; L117-P120 HydrophobicContact CD2-CB 4.5Å |
| 118 | P | 96.8 | Very high | 96.1 | Very high | 84 Ų | 84 | 52 Ų | 52 | 55% | 0.545 | 28% | 0.275 | S | S | . | . | S | Bend | cis | -87.8 | -0.2 | 9.1 | 35.7 | -37.5 | 0 | 0 | 0 | 115.4 | E38 A41 P120 | E38-P118 HydrophobicContact CG-CB 4.24Å; A41-P118 WeakPolarHBondContact CB-O 3.22Å; P118-P120 VanDerWaalsContact O-CD 3.28Å; P118-P120 WeakPolarHBondContact O-CD 3.39Å |
| 119 | S | 97.6 | Very high | 95.4 | Very high | 74 Ų | 74 | 56.4 Ų | 56.4 | 52% | 0.517 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -116.7 | 80 | -177.4 | -57.6 | 0 | 0 | 0 | 0 | 110.7 | P116 | P116-S119 CarbonylContact O-C 3.59Å; P116-S119 PolarHBondContact O-N 2.96Å; P116-S119 VanDerWaalsContact O-O 3.05Å |
| 120 | P | 98 | Very high | 94.6 | Very high | 16 Ų | 16 | 59.3 Ų | 59.3 | 10% | 0.104 | 32% | 0.324 | C | S | . | . | trans | -61.8 | 139.2 | -174.9 | 26.1 | -34.2 | 0 | 0 | 0 | 111.6 | A41 Y45 V114 P116 L117 P118 | A41-P120 HydrophobicContact CB-CG 4.36Å; Y45-P120 HydrophobicContact CD1-CB 4.08Å; Y45-P120 HydrophobicContact CD1-CG 4.39Å; Y45-P120 WeakPolarHBondContact CD2-O 3.42Å; Y45-P120 HydrophobicContact CG-CB 4.06Å; Y45-P120 HydrophobicContact CG-CG 4.04Å; V114-P120 HydrophobicContact CG1-CB 3.74Å; P116-P120 VanDerWaalsContact O-CA 3.28Å; P116-P120 WeakPolarHBondContact O-CA 3.3Å; L117-P120 HydrophobicContact CD2-CB 4.5Å; P118-P120 VanDerWaalsContact O-CD 3.28Å; P118-P120 WeakPolarHBondContact O-CD 3.39Å | ||
| 121 | R | 97.6 | Very high | 93.9 | Very high | 207 Ų | 207 | 66.3 Ų | 66.3 | 78% | 0.781 | 35% | 0.352 | S | S | * | . | trans | -136.1 | -13.4 | -178.7 | -65.1 | 179.9 | -174.2 | -176.1 | -0.2 | 113.6 | Y45 G115 | Y45-R121 PolarHBondContact OH-O 3.47Å; G115-R121 PolarHBondContact O-N 2.77Å; G115-R121 VanDerWaalsContact O-N 3.11Å | ||
| 122 | S | 97.8 | Very high | 92.9 | Very high | 63 Ų | 63 | 73.2 Ų | 73.2 | 44% | 0.441 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 152 | -179 | 56 | 0 | 0 | 0 | 0 | 110.6 | Y45 G115 | Y45-S122 WeakPolarHBondContact OH-CA 3.31Å; Y45-S122 PolarHBondContact OH-N 3.22Å; G115-S122 PolarHBondContact N-O 2.9Å; G115-S122 PolarHBondContact O-N 2.81Å; G115-S122 VanDerWaalsContact O-O 3.04Å; G115-S122 PolarHBondContact O-OG 3.31Å |
| 123 | H | 97.9 | Very high | 92 | Very high | 71 Ų | 71 | 77.2 Ų | 77.2 | 33% | 0.329 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 144.3 | 169.5 | 61.5 | -86.4 | 0 | 0 | 0 | 109.1 | Y45 I49 M52 Y112 I113 V114 | Y45-H123 HydrophobicContact CE1-CB 4.16Å; Y45-H123 AromaticContact CE1-ND1 3.86Å; Y45-H123 AromaticContact CZ-ND1 3.74Å; Y45-H123 PolarHBondContact OH-N 3.47Å; Y45-H123 PolarHBondContact OH-ND1 2.92Å; I49-H123 VanDerWaalsContact CD1-CE1 3.47Å; I49-H123 WeakPolarHBondContact CD1-CE1 3.37Å; I49-H123 WeakPolarHBondContact CD1-ND1 3.33Å; M52-H123 WeakPolarHBondContact CE-NE2 3.26Å; Y112-H123 HydrophobicContact CD1-CB 4.4Å; Y112-H123 AromaticContact CD1-CD2 3.7Å; Y112-H123 AromaticContact CE1-CD2 3.82Å; I113-H123 CarbonylContact O-C 3.59Å; I113-H123 VanDerWaalsContact O-CA 3.27Å; I113-H123 WeakPolarHBondContact O-CA 3.35Å; V114-H123 HydrophobicContact CG2-CB 4.05Å |
| 124 | E | 97.1 | Very high | 91.7 | Very high | 115 Ų | 115 | 77.8 Ų | 77.8 | 54% | 0.537 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 145 | 175.2 | 62 | -180 | -179.1 | 0 | 0 | 110.6 | Y112 I113 R126 | Y112-E124 CarbonylContact C-O 3.59Å; Y112-E124 WeakPolarHBondContact CA-O 3.42Å; I113-E124 HydrophobicContact CB-CG 3.78Å; I113-E124 HydrophobicContact CG1-CG 4.43Å; I113-E124 PolarHBondContact N-O 3.36Å; I113-E124 PolarHBondContact O-N 3.48Å; E124-R126 PolarHBondContact O-N 3.49Å |
| 125 | V | 95.5 | Very high | 91.3 | Very high | 84 Ų | 84 | 81.9 Ų | 81.9 | 51% | 0.509 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 126.7 | 177.3 | 176.5 | 0 | 0 | 0 | 0 | 109.5 | T110 Y112 T127 | T110-V125 HydrophobicContact CG2-CG1 3.85Å; T110-V125 HydrophobicContact CG2-CG2 4.19Å; Y112-V125 HydrophobicContact CD1-CG2 4.06Å; Y112-V125 HydrophobicContact CE1-CG2 3.57Å; V125-T127 HydrophobicContact CG1-CG2 4.19Å |
| 126 | R | 92.7 | Very high | 91.2 | Very high | 65 Ų | 65 | 82.3 Ų | 82.3 | 25% | 0.245 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 125.1 | 170.5 | 179.1 | 177.9 | 178.6 | -145.2 | 5.7 | 109.6 | R96 E111 I113 E124 | R96-R126 VanDerWaalsContact NE-NH1 3.18Å; E111-R126 HydrophobicContact CB-CB 3.93Å; E111-R126 PolarHBondContact O-N 3.14Å; E111-R126 WeakPolarHBondContact OE2-CD 3.47Å; E111-R126 IonicContact OE2-CZ 3.24Å; E111-R126 IonicContact OE2-NE 3.64Å; E111-R126 IonicContact OE2-NH1 3.96Å; E111-R126 PolarHBondContact OE2-NH1 3.41Å; I113-R126 HydrophobicContact CD1-CB 4.33Å; I113-R126 HydrophobicContact CG1-CB 4.23Å; E124-R126 PolarHBondContact O-N 3.49Å |
| 127 | T | 88.9 | Confident | 91.2 | Very high | 87 Ų | 87 | 81.4 Ų | 81.4 | 53% | 0.534 | 43% | 0.426 | S | S | . | . | trans | -112 | 146.5 | 178.6 | 60.8 | 0 | 0 | 0 | 0 | 112 | V125 | V125-T127 HydrophobicContact CG1-CG2 4.19Š| ||
| 128 | F | 87.2 | Confident | 91.1 | Very high | 25 Ų | 25 | 80.7 Ų | 80.7 | 11% | 0.11 | 42% | 0.423 | C | S | . | . | trans | -77.2 | 168.4 | 170.2 | -65 | -83.5 | 0 | 0 | 0 | 112.1 | E111 G130 K131 V134 T626 F628 A637 V638 | E111-F128 WeakPolarHBondContact OE1-CZ 3.34Å; F128-G130 PolarHBondContact O-N 3.28Å; F128-K131 PolarHBondContact O-N 3.38Å; F128-V134 HydrophobicContact CD2-CG2 3.71Å; F128-V134 HydrophobicContact CE2-CG2 3.41Å; F128-V134 VanDerWaalsContact CE2-CG2 3.41Å; F128-V134 HydrophobicContact CZ-CG2 4.43Å; F128-T626 HydrophobicContact CE1-CG2 4.01Å; F128-T626 HydrophobicContact CZ-CG2 4.46Å; F128-F628 HydrophobicContact CE2-CE2 4.11Å; F128-F628 HydrophobicContact CZ-CD2 4.25Å; F128-F628 AromaticContact CZ-CE2 3.89Å; F128-F628 HydrophobicContact CZ-CE2 3.89Å; F128-A637 HydrophobicContact CD1-CB 3.99Å; F128-A637 HydrophobicContact CD2-CB 4.1Å; F128-A637 HydrophobicContact CE1-CB 3.98Å; F128-A637 HydrophobicContact CE2-CB 4.11Å; F128-A637 HydrophobicContact CG-CB 4.06Å; F128-A637 HydrophobicContact CZ-CB 4.05Å; F128-V638 HydrophobicContact CD1-CG2 4.04Å; F128-V638 HydrophobicContact CE1-CG2 4.05Å | ||
| 129 | K | 79.9 | Confident | 91.2 | Very high | 143 Ų | 143 | 76.9 Ų | 76.9 | 62% | 0.622 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -54.1 | 130.8 | 177.3 | -171.6 | 175.9 | -178.5 | 175.2 | 0 | 109.9 | K131 | K129-K131 VanDerWaalsContact C-N 3.31Š|
| 130 | G | 77.1 | Confident | 91.2 | Very high | 70 Ų | 70 | 73.4 Ų | 73.4 | 72% | 0.722 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | 78.9 | 7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | F128 K132 | F128-G130 PolarHBondContact O-N 3.28Å; G130-K132 PolarHBondContact O-N 3.47Å; G130-K132 VanDerWaalsContact O-N 3.14Å |
| 131 | K | 81.1 | Confident | 91.2 | Very high | 171 Ų | 171 | 73.1 Ų | 73.1 | 74% | 0.743 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | 54.5 | 28.3 | -179.4 | -60 | -179.1 | 177.6 | -176.9 | 0 | 113.5 | F128 K129 | F128-K131 PolarHBondContact O-N 3.38Å; K129-K131 VanDerWaalsContact C-N 3.31Å |
| 132 | K | 76.4 | Confident | 91.1 | Very high | 151 Ų | 151 | 63.3 Ų | 63.3 | 66% | 0.657 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 129.7 | 175.6 | -70 | -171.9 | 173.7 | -168.6 | 0 | 109.3 | G130 | G130-K132 PolarHBondContact O-N 3.47Å; G130-K132 VanDerWaalsContact O-N 3.14Å |
| 133 | P | 80.6 | Confident | 91 | Very high | 109 Ų | 109 | 63.6 Ų | 63.6 | 71% | 0.708 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 150.6 | 171.6 | 30 | -33.5 | 0 | 0 | 0 | 109.6 | ||
| 134 | V | 90.3 | Very high | 90.9 | Very high | 19 Ų | 19 | 60.3 Ų | 60.3 | 12% | 0.115 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -84.8 | 127.3 | 170.6 | 180 | 0 | 0 | 0 | 0 | 107.6 | I109 F128 S138 F628 A637 | I109-V134 HydrophobicContact CG2-CB 3.61Å; I109-V134 HydrophobicContact CG2-CG1 3.34Å; F128-V134 HydrophobicContact CD2-CG2 3.71Å; F128-V134 HydrophobicContact CE2-CG2 3.41Å; F128-V134 VanDerWaalsContact CE2-CG2 3.41Å; F128-V134 HydrophobicContact CZ-CG2 4.43Å; V134-S138 WeakPolarHBondContact CG1-OG 3.39Å; V134-F628 HydrophobicContact CG1-CB 4.08Å; V134-F628 HydrophobicContact CG1-CD1 3.97Å; V134-F628 HydrophobicContact CG1-CD2 3.75Å; V134-F628 HydrophobicContact CG1-CE1 4.39Å; V134-F628 HydrophobicContact CG1-CE2 4.14Å; V134-F628 HydrophobicContact CG1-CG 3.64Å; V134-F628 HydrophobicContact CG1-CZ 4.46Å; V134-F628 HydrophobicContact CG2-CD2 4.07Å; V134-F628 HydrophobicContact CG2-CE2 4.07Å; V134-A637 HydrophobicContact CG2-CB 4.29Å |
| 135 | Q | 92.1 | Very high | 91 | Very high | 85 Ų | 85 | 54.9 Ų | 54.9 | 40% | 0.397 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 141 | 178.4 | -61 | -63.9 | -3.2 | 0 | 0 | 110.3 | E137 S138 | Q135-E137 PolarHBondContact O-N 2.94Å; Q135-S138 WeakPolarHBondContact O-CB 3.01Å; Q135-S138 PolarHBondContact O-N 3.29Å; Q135-S138 PolarHBondContact O-OG 3.26Å |
| 136 | F | 95.9 | Very high | 91.1 | Very high | 11 Ų | 11 | 52.9 Ų | 52.9 | 5% | 0.048 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -66.5 | -29.8 | -175.2 | -175.7 | -104.9 | 0 | 0 | 0 | 112.6 | Q100 P107 N108 S138 R139 L225 | Q100-F136 HydrophobicContact CB-CE2 4.31Å; P107-F136 HydrophobicContact CB-CB 4.09Å; P107-F136 HydrophobicContact CB-CD1 3.58Å; P107-F136 HydrophobicContact CB-CD2 3.77Å; P107-F136 HydrophobicContact CB-CE1 3.88Å; P107-F136 HydrophobicContact CB-CE2 4.03Å; P107-F136 HydrophobicContact CB-CG 3.51Å; P107-F136 HydrophobicContact CB-CZ 4.08Å; N108-F136 VanDerWaalsContact C-CD2 3.48Å; N108-F136 WeakPolarHBondContact O-CD2 3.49Å; F136-S138 PolarHBondContact O-N 3.5Å; F136-R139 WeakPolarHBondContact O-CB 3.33Å; F136-R139 WeakPolarHBondContact O-CD 3.34Å; F136-R139 WeakPolarHBondContact O-CG 3.25Å; F136-R139 PolarHBondContact O-N 3.11Å; F136-R139 PolarHBondContact O-NH1 2.88Å; F136-L225 HydrophobicContact CE1-CD1 3.98Å; F136-L225 HydrophobicContact CE1-CD2 3.53Å; F136-L225 HydrophobicContact CE1-CG 4.04Å; F136-L225 HydrophobicContact CZ-CD1 4.34Å; F136-L225 HydrophobicContact CZ-CD2 4Å |
| 137 | E | 96.4 | Very high | 91.3 | Very high | 40 Ų | 40 | 53.8 Ų | 53.8 | 19% | 0.187 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -70 | -21.2 | 178.9 | -64 | 76.9 | -164.2 | 0 | 0 | 112.5 | Q135 R139 G194 R196 Q223 | Q135-E137 PolarHBondContact O-N 2.94Å; E137-R139 PolarHBondContact O-N 3.46Å; E137-G194 WeakPolarHBondContact CG-O 3.33Å; E137-R196 HydrophobicContact CB-CB 4.42Å; E137-R196 HydrophobicContact CG-CB 4.46Å; E137-R196 PolarHBondContact O-NH1 3.38Å; E137-Q223 HydrophobicContact CG-CG 4.12Å |
| 138 | S | 97.1 | Very high | 91.7 | Very high | 4 Ų | 4 | 51.4 Ų | 51.4 | 3% | 0.028 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -73.5 | -9.2 | 175.6 | 75.8 | 0 | 0 | 0 | 0 | 113.7 | V134 Q135 F136 F628 | V134-S138 WeakPolarHBondContact CG1-OG 3.39Å; Q135-S138 WeakPolarHBondContact O-CB 3.01Å; Q135-S138 PolarHBondContact O-N 3.29Å; Q135-S138 PolarHBondContact O-OG 3.26Å; F136-S138 PolarHBondContact O-N 3.5Å; S138-F628 WeakPolarHBondContact O-CA 3.33Å |
| 139 | R | 97.4 | Very high | 92.2 | Very high | 5 Ų | 5 | 50.3 Ų | 50.3 | 2% | 0.019 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -58.8 | 144.2 | 179.3 | 75.6 | -173.8 | -168.9 | -77.6 | -9.1 | 111.2 | I109 F136 E137 E145 R196 N631 | I109-R139 HydrophobicContact CD1-CB 3.8Å; F136-R139 WeakPolarHBondContact O-CB 3.33Å; F136-R139 WeakPolarHBondContact O-CD 3.34Å; F136-R139 WeakPolarHBondContact O-CG 3.25Å; F136-R139 PolarHBondContact O-N 3.11Å; F136-R139 PolarHBondContact O-NH1 2.88Å; E137-R139 PolarHBondContact O-N 3.46Å; R139-E145 IonicContact CZ-OE2 3.64Å; R139-E145 IonicContact NE-OE2 2.97Å; R139-E145 IonicContact NH2-OE1 3.43Å; R139-E145 PolarHBondContact NH2-OE1 2.84Å; R139-E145 IonicContact NH2-OE2 3.01Å; R139-E145 PolarHBondContact NH2-OE2 3.13Å; R139-R196 PolarHBondContact O-NH1 2.94Å; R139-N631 PolarHBondContact O-ND2 3.28Å |
| 140 | P | 97.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -50.5 | 146.5 | 165.7 | -28.7 | 35.5 | 0 | 0 | 0 | 112 | L68 G364 F393 I627 | L68-P140 HydrophobicContact CD2-CG 4.03Å; P140-G364 WeakPolarHBondContact CB-O 3.4Å; P140-G364 WeakPolarHBondContact CG-O 3.26Å; P140-F393 HydrophobicContact CB-CE2 4.36Å; P140-F393 HydrophobicContact CB-CZ 4Å; P140-F393 HydrophobicContact CG-CE2 4.4Å; P140-F393 HydrophobicContact CG-CZ 4.45Å; P140-I627 HydrophobicContact CG-CB 4.27Å; P140-I627 HydrophobicContact CG-CD1 3.94Å; P140-I627 HydrophobicContact CG-CG1 4.12Å |
| 141 | I | 97.4 | Very high | 94 | Very high | 9 Ų | 9 | 47.9 Ų | 47.9 | 5% | 0.046 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -64.8 | 145.3 | 169 | -169.6 | 158.3 | 0 | 0 | 0 | 109.3 | E145 Y146 I149 W365 | I141-E145 HydrophobicContact CD1-CG 4.38Å; I141-E145 HydrophobicContact CG1-CB 4.02Å; I141-E145 HydrophobicContact CG1-CG 4.05Å; I141-Y146 HydrophobicContact CB-CE2 4.25Å; I141-Y146 HydrophobicContact CD1-CD1 3.92Å; I141-Y146 HydrophobicContact CD1-CD2 4.35Å; I141-Y146 HydrophobicContact CD1-CE1 3.55Å; I141-Y146 HydrophobicContact CD1-CE2 4.02Å; I141-Y146 HydrophobicContact CD1-CG 4.3Å; I141-Y146 HydrophobicContact CG1-CD1 4.5Å; I141-Y146 HydrophobicContact CG1-CD2 4.06Å; I141-Y146 HydrophobicContact CG1-CE1 4.27Å; I141-Y146 HydrophobicContact CG1-CE2 3.81Å; I141-Y146 HydrophobicContact CG1-CG 4.4Å; I141-Y146 HydrophobicContact CG2-CD2 4.45Å; I141-Y146 HydrophobicContact CG2-CE2 3.48Å; I141-Y146 VanDerWaalsContact CG2-CE2 3.48Å; I141-Y146 WeakPolarHBondContact CG2-OH 3.31Å; I141-I149 HydrophobicContact CD1-CD1 3.82Å; I141-W365 HydrophobicContact CG2-CE3 4.31Å; I141-W365 HydrophobicContact CG2-CH2 4.01Å; I141-W365 HydrophobicContact CG2-CZ3 3.75Å |
| 142 | T | 96.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.012 | 21% | 0.207 | C | C | . | . | trans | -113.8 | 160.2 | -178.6 | 63.4 | 0 | 0 | 0 | 0 | 110.3 | L68 V144 E145 Y146 D394 | L68-T142 HydrophobicContact CD1-CG2 4.17Å; T142-V144 PolarHBondContact O-N 3.26Å; T142-E145 WeakPolarHBondContact O-CA 3.14Å; T142-E145 WeakPolarHBondContact O-CB 3.47Å; T142-E145 PolarHBondContact O-N 3.2Å; T142-E145 PolarHBondContact OG1-N 2.82Å; T142-Y146 WeakPolarHBondContact O-CD2 3.4Å; T142-Y146 PolarHBondContact O-N 2.93Å; T142-D394 VanDerWaalsContact CA-OD2 3.26Å; T142-D394 WeakPolarHBondContact CA-OD2 3.25Å; T142-D394 WeakPolarHBondContact CB-OD1 3.31Å; T142-D394 WeakPolarHBondContact CB-OD2 3.21Å | ||
| 143 | I | 95.4 | Very high | 95.8 | Very high | 68 Ų | 68 | 34 Ų | 34 | 35% | 0.349 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -55.8 | -40.2 | 177.6 | -167.8 | 64.1 | 0 | 0 | 0 | 111.8 | R58 E145 Y146 D147 D394 | R58-I143 HydrophobicContact CG-CG2 4.32Å; I143-E145 VanDerWaalsContact C-N 3.29Å; I143-E145 PolarHBondContact O-N 3.08Å; I143-Y146 WeakPolarHBondContact O-CB 3.26Å; I143-Y146 PolarHBondContact O-N 2.92Å; I143-Y146 VanDerWaalsContact O-N 3.16Å; I143-D147 VanDerWaalsContact O-CG 3.22Å; I143-D147 PolarHBondContact O-N 3.21Å; I143-D394 PolarHBondContact N-OD2 3.25Å |
| 144 | V | 96.7 | Very high | 96.6 | Very high | 3 Ų | 3 | 31.2 Ų | 31.2 | 2% | 0.018 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.4 | -33.8 | 177.4 | 179.5 | 0 | 0 | 0 | 0 | 111.6 | S59 E60 L62 R64 T142 Y146 D147 H148 | S59-V144 WeakPolarHBondContact O-CG1 3.48Å; E60-V144 VanDerWaalsContact O-CG1 3.27Å; E60-V144 WeakPolarHBondContact O-CG1 3.39Å; L62-V144 HydrophobicContact CD2-CB 4.37Å; L62-V144 HydrophobicContact CD2-CG1 4.03Å; R64-V144 VanDerWaalsContact NH1-CG1 3.33Å; T142-V144 PolarHBondContact O-N 3.26Å; V144-Y146 VanDerWaalsContact C-N 3.33Å; V144-D147 PolarHBondContact O-N 2.87Å; V144-H148 PolarHBondContact O-CD2 3.38Å; V144-H148 PolarHBondContact O-N 2.97Å |
| 145 | E | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.9 | -36.7 | 175.3 | -167.9 | 169.7 | 177.3 | 0 | 0 | 111.1 | L62 R139 I141 T142 I143 H148 I149 R196 H222 W230 | L62-E145 HydrophobicContact CD1-CG 4.33Å; L62-E145 HydrophobicContact CD2-CB 3.94Å; L62-E145 HydrophobicContact CD2-CG 4.44Å; R139-E145 IonicContact CZ-OE2 3.64Å; R139-E145 IonicContact NE-OE2 2.97Å; R139-E145 IonicContact NH2-OE1 3.43Å; R139-E145 PolarHBondContact NH2-OE1 2.84Å; R139-E145 IonicContact NH2-OE2 3.01Å; R139-E145 PolarHBondContact NH2-OE2 3.13Å; I141-E145 HydrophobicContact CD1-CG 4.38Å; I141-E145 HydrophobicContact CG1-CB 4.02Å; I141-E145 HydrophobicContact CG1-CG 4.05Å; T142-E145 WeakPolarHBondContact O-CA 3.14Å; T142-E145 WeakPolarHBondContact O-CB 3.47Å; T142-E145 PolarHBondContact O-N 3.2Å; T142-E145 PolarHBondContact OG1-N 2.82Å; I143-E145 VanDerWaalsContact C-N 3.29Å; I143-E145 PolarHBondContact O-N 3.08Å; E145-H148 PolarHBondContact O-N 3.4Å; E145-I149 WeakPolarHBondContact O-CG1 3.28Å; E145-I149 PolarHBondContact O-N 2.97Å; E145-R196 IonicContact OE1-CZ 3.02Å; E145-R196 IonicContact OE1-NE 3.5Å; E145-R196 PolarHBondContact OE1-NE 3.45Å; E145-R196 IonicContact OE1-NH2 3.07Å; E145-R196 PolarHBondContact OE1-NH2 3.42Å; E145-R196 IonicContact OE2-CZ 2.78Å; E145-R196 IonicContact OE2-NE 3.48Å; E145-R196 IonicContact OE2-NH2 3.21Å; E145-R196 PolarHBondContact OE2-NH2 3.44Å; E145-H222 IonicContact OE1-CE1 3.39Å; E145-H222 IonicContact OE1-ND1 3.33Å; E145-H222 PolarHBondContact OE1-ND1 2.81Å; E145-W230 HydrophobicContact CG-CH2 4.02Å; E145-W230 HydrophobicContact CG-CZ2 4.42Å |
| 146 | Y | 97.6 | Very high | 97.1 | Very high | 42 Ų | 42 | 32 Ų | 32 | 17% | 0.165 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.3 | -43.2 | 168.7 | -79.3 | -59.7 | 0 | 0 | 0 | 113.3 | I141 T142 I143 V144 H148 I149 E150 F183 D185 W365 | I141-Y146 HydrophobicContact CB-CE2 4.25Å; I141-Y146 HydrophobicContact CD1-CD1 3.92Å; I141-Y146 HydrophobicContact CD1-CD2 4.35Å; I141-Y146 HydrophobicContact CD1-CE1 3.55Å; I141-Y146 HydrophobicContact CD1-CE2 4.02Å; I141-Y146 HydrophobicContact CD1-CG 4.3Å; I141-Y146 HydrophobicContact CG1-CD1 4.5Å; I141-Y146 HydrophobicContact CG1-CD2 4.06Å; I141-Y146 HydrophobicContact CG1-CE1 4.27Å; I141-Y146 HydrophobicContact CG1-CE2 3.81Å; I141-Y146 HydrophobicContact CG1-CG 4.4Å; I141-Y146 HydrophobicContact CG2-CD2 4.45Å; I141-Y146 HydrophobicContact CG2-CE2 3.48Å; I141-Y146 VanDerWaalsContact CG2-CE2 3.48Å; I141-Y146 WeakPolarHBondContact CG2-OH 3.31Å; T142-Y146 WeakPolarHBondContact O-CD2 3.4Å; T142-Y146 PolarHBondContact O-N 2.93Å; I143-Y146 WeakPolarHBondContact O-CB 3.26Å; I143-Y146 PolarHBondContact O-N 2.92Å; I143-Y146 VanDerWaalsContact O-N 3.16Å; V144-Y146 VanDerWaalsContact C-N 3.33Å; Y146-H148 PolarHBondContact O-N 3.02Å; Y146-I149 HydrophobicContact CD1-CD1 4.44Å; Y146-I149 CarbonylContact O-C 3.5Å; Y146-I149 WeakPolarHBondContact O-CA 3.5Å; Y146-I149 WeakPolarHBondContact O-CB 3.28Å; Y146-I149 PolarHBondContact O-N 2.84Å; Y146-E150 WeakPolarHBondContact O-CB 3.47Å; Y146-E150 PolarHBondContact O-N 2.89Å; Y146-F183 HydrophobicContact CD1-CE2 4.02Å; Y146-F183 AromaticContact CD1-CZ 3.92Å; Y146-F183 HydrophobicContact CD1-CZ 3.92Å; Y146-F183 HydrophobicContact CE1-CE2 4.08Å; Y146-F183 HydrophobicContact CE1-CZ 4.42Å; Y146-D185 HydrophobicContact CE1-CB 4.38Å; Y146-D185 WeakPolarHBondContact CE1-OD1 3.32Å; Y146-D185 VanDerWaalsContact OH-CG 3.23Å; Y146-D185 PolarHBondContact OH-OD1 2.78Å; Y146-D185 PolarHBondContact OH-OD2 2.86Å; Y146-W365 HydrophobicContact CE2-CZ3 4.27Å; Y146-W365 WeakPolarHBondContact OH-CH2 3.19Å; Y146-W365 WeakPolarHBondContact OH-CZ3 3.41Å |
| 147 | D | 97.4 | Very high | 97.2 | Very high | 84 Ų | 84 | 31.6 Ų | 31.6 | 45% | 0.449 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -58.1 | -36.8 | 177.3 | -63.1 | -28.2 | 0 | 0 | 0 | 111.3 | I143 V144 E150 N151 | I143-D147 VanDerWaalsContact O-CG 3.22Å; I143-D147 PolarHBondContact O-N 3.21Å; V144-D147 PolarHBondContact O-N 2.87Å; D147-E150 WeakPolarHBondContact O-CB 3.48Å; D147-N151 VanDerWaalsContact O-CG 3.24Å; D147-N151 PolarHBondContact O-N 2.68Å; D147-N151 VanDerWaalsContact O-N 3.08Å; D147-N151 PolarHBondContact O-ND2 3.03Å; D147-N151 VanDerWaalsContact O-ND2 3.16Å |
| 148 | H | 98.1 | Very high | 97.2 | Very high | 38 Ų | 38 | 32.6 Ų | 32.6 | 18% | 0.176 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -72.9 | -35.7 | 174.4 | -73.7 | -56.1 | 0 | 0 | 0 | 113.4 | E60 V144 E145 Y146 E150 N151 L152 P227 W230 | E60-H148 PolarHBondContact O-NE2 3.16Å; V144-H148 PolarHBondContact O-CD2 3.38Å; V144-H148 PolarHBondContact O-N 2.97Å; E145-H148 PolarHBondContact O-N 3.4Å; Y146-H148 PolarHBondContact O-N 3.02Å; H148-E150 VanDerWaalsContact C-N 3.34Å; H148-N151 PolarHBondContact O-N 2.79Å; H148-L152 PolarHBondContact O-N 2.92Å; H148-P227 HydrophobicContact CB-CB 3.97Å; H148-P227 HydrophobicContact CB-CG 4.01Å; H148-P227 VanDerWaalsContact CG-CG 3.43Å; H148-W230 HydrophobicContact CB-CE3 4.4Å; H148-W230 HydrophobicContact CB-CH2 3.45Å; H148-W230 VanDerWaalsContact CB-CH2 3.45Å; H148-W230 HydrophobicContact CB-CZ2 4.42Å; H148-W230 HydrophobicContact CB-CZ3 3.43Å; H148-W230 VanDerWaalsContact CB-CZ3 3.43Å |
| 149 | I | 97.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.4 | -45.4 | 173.3 | -72.6 | 173.2 | 0 | 0 | 0 | 109.5 | I141 E145 Y146 N151 L152 L153 F183 I200 W230 | I141-I149 HydrophobicContact CD1-CD1 3.82Å; E145-I149 WeakPolarHBondContact O-CG1 3.28Å; E145-I149 PolarHBondContact O-N 2.97Å; Y146-I149 HydrophobicContact CD1-CD1 4.44Å; Y146-I149 CarbonylContact O-C 3.5Å; Y146-I149 WeakPolarHBondContact O-CA 3.5Å; Y146-I149 WeakPolarHBondContact O-CB 3.28Å; Y146-I149 PolarHBondContact O-N 2.84Å; I149-N151 VanDerWaalsContact C-N 3.3Å; I149-N151 PolarHBondContact O-N 3.3Å; I149-L152 PolarHBondContact O-N 2.77Å; I149-L152 VanDerWaalsContact O-N 3.1Å; I149-L153 HydrophobicContact CG2-CD1 3.82Å; I149-L153 HydrophobicContact CG2-CG 4.16Å; I149-L153 VanDerWaalsContact O-CG 3.31Å; I149-L153 WeakPolarHBondContact O-CG 3.21Å; I149-L153 PolarHBondContact O-N 2.91Å; I149-F183 HydrophobicContact CG2-CE2 4.08Å; I149-F183 HydrophobicContact CG2-CZ 4.07Å; I149-I200 HydrophobicContact CG2-CD1 3.46Å; I149-I200 VanDerWaalsContact CG2-CD1 3.46Å; I149-W230 HydrophobicContact CG1-CH2 4.23Å; I149-W230 HydrophobicContact CG1-CZ3 3.68Å |
| 150 | E | 96.9 | Very high | 97.1 | Very high | 75 Ų | 75 | 36 Ų | 36 | 35% | 0.35 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -54.5 | -44.9 | 174.5 | -173 | 80 | -130 | 0 | 0 | 111.1 | Y146 D147 H148 L153 N154 Y173 F183 | Y146-E150 WeakPolarHBondContact O-CB 3.47Å; Y146-E150 PolarHBondContact O-N 2.89Å; D147-E150 WeakPolarHBondContact O-CB 3.48Å; H148-E150 VanDerWaalsContact C-N 3.34Å; E150-L153 PolarHBondContact O-N 2.83Å; E150-N154 PolarHBondContact O-N 2.87Å; E150-N154 PolarHBondContact O-ND2 3.21Å; E150-Y173 VanDerWaalsContact CD-OH 3.22Å; E150-Y173 WeakPolarHBondContact OE1-CE1 3.35Å; E150-Y173 VanDerWaalsContact OE1-CZ 3.25Å; E150-Y173 PolarHBondContact OE1-OH 2.99Å; E150-F183 WeakPolarHBondContact OE2-CE1 3.48Å |
| 151 | N | 96.7 | Very high | 97.1 | Very high | 88 Ų | 88 | 41.3 Ų | 41.3 | 47% | 0.471 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.7 | -40.7 | 176 | -71.6 | -31.4 | 0 | 0 | 0 | 112.7 | D147 H148 I149 N154 K155 | D147-N151 VanDerWaalsContact O-CG 3.24Å; D147-N151 PolarHBondContact O-N 2.68Å; D147-N151 VanDerWaalsContact O-N 3.08Å; D147-N151 PolarHBondContact O-ND2 3.03Å; D147-N151 VanDerWaalsContact O-ND2 3.16Å; H148-N151 PolarHBondContact O-N 2.79Å; I149-N151 VanDerWaalsContact C-N 3.3Å; I149-N151 PolarHBondContact O-N 3.3Å; N151-N154 WeakPolarHBondContact O-CB 3.3Å; N151-N154 PolarHBondContact O-N 2.77Å; N151-K155 PolarHBondContact O-N 3Å |
| 152 | L | 97.6 | Very high | 97 | Very high | 27 Ų | 27 | 45.4 Ų | 45.4 | 14% | 0.141 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.1 | -43.2 | 175.9 | 178.8 | 61.9 | 0 | 0 | 0 | 111.5 | H148 I149 N154 K155 I156 V220 W230 | H148-L152 PolarHBondContact O-N 2.92Å; I149-L152 PolarHBondContact O-N 2.77Å; I149-L152 VanDerWaalsContact O-N 3.1Å; L152-N154 VanDerWaalsContact C-N 3.28Å; L152-N154 PolarHBondContact O-N 3.01Å; L152-K155 WeakPolarHBondContact O-CB 3.43Å; L152-K155 PolarHBondContact O-N 2.65Å; L152-K155 VanDerWaalsContact O-N 3.08Å; L152-I156 HydrophobicContact CD1-CD1 4.4Å; L152-I156 HydrophobicContact CG-CD1 3.96Å; L152-I156 WeakPolarHBondContact O-CG1 3.41Å; L152-I156 PolarHBondContact O-N 3.14Å; L152-V220 HydrophobicContact CD2-CB 4.42Å; L152-V220 HydrophobicContact CD2-CG1 3.51Å; L152-V220 HydrophobicContact CD2-CG2 3.99Å; L152-W230 HydrophobicContact CD2-CB 4.22Å; L152-W230 HydrophobicContact CD2-CE3 4.38Å |
| 153 | L | 97.9 | Very high | 97 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.6 | -35.9 | 176.1 | -68.6 | 174.1 | 0 | 0 | 0 | 111.7 | I149 E150 K155 I156 A157 Y173 F183 I200 L202 V218 | I149-L153 HydrophobicContact CG2-CD1 3.82Å; I149-L153 HydrophobicContact CG2-CG 4.16Å; I149-L153 VanDerWaalsContact O-CG 3.31Å; I149-L153 WeakPolarHBondContact O-CG 3.21Å; I149-L153 PolarHBondContact O-N 2.91Å; E150-L153 PolarHBondContact O-N 2.83Å; L153-K155 PolarHBondContact O-N 2.87Å; L153-I156 HydrophobicContact CD2-CD1 4.23Å; L153-I156 PolarHBondContact O-N 2.98Å; L153-A157 WeakPolarHBondContact O-CB 3.49Å; L153-A157 PolarHBondContact O-N 3.3Å; L153-Y173 HydrophobicContact CB-CE1 3.92Å; L153-Y173 HydrophobicContact CB-CE2 4.1Å; L153-Y173 HydrophobicContact CD1-CE2 4.28Å; L153-Y173 WeakPolarHBondContact CD1-OH 3.44Å; L153-F183 HydrophobicContact CD1-CB 4.02Å; L153-F183 HydrophobicContact CD1-CD1 3.45Å; L153-F183 VanDerWaalsContact CD1-CD1 3.45Å; L153-F183 HydrophobicContact CD1-CD2 4.12Å; L153-F183 HydrophobicContact CD1-CE1 3.85Å; L153-F183 HydrophobicContact CD1-CE2 4.47Å; L153-F183 HydrophobicContact CD1-CG 3.59Å; L153-F183 HydrophobicContact CD1-CZ 4.35Å; L153-I200 HydrophobicContact CD1-CG2 4.03Å; L153-I200 HydrophobicContact CD2-CD1 4.36Å; L153-I200 HydrophobicContact CD2-CG2 4.12Å; L153-L202 HydrophobicContact CD2-CD2 4.42Å; L153-V218 HydrophobicContact CD2-CG2 3.93Å |
| 154 | N | 97 | Very high | 97 | Very high | 50 Ų | 50 | 42.4 Ų | 42.4 | 27% | 0.267 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.1 | -43.5 | 170.8 | -86.2 | -65.5 | 0 | 0 | 0 | 112.2 | E150 N151 L152 A158 Y173 | E150-N154 PolarHBondContact O-N 2.87Å; E150-N154 PolarHBondContact O-ND2 3.21Å; N151-N154 WeakPolarHBondContact O-CB 3.3Å; N151-N154 PolarHBondContact O-N 2.77Å; L152-N154 VanDerWaalsContact C-N 3.28Å; L152-N154 PolarHBondContact O-N 3.01Å; N154-A158 WeakPolarHBondContact O-CB 3.25Å; N154-A158 PolarHBondContact O-N 3.17Å; N154-Y173 WeakPolarHBondContact OD1-CD1 3.06Å |
| 155 | K | 96.7 | Very high | 97 | Very high | 112 Ų | 112 | 46.2 Ų | 46.2 | 49% | 0.487 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.2 | -47.7 | 175.7 | -64.7 | 174.2 | -174.9 | 174.7 | 0 | 110.9 | N151 L152 L153 A157 A158 Q159 E228 | N151-K155 PolarHBondContact O-N 3Å; L152-K155 WeakPolarHBondContact O-CB 3.43Å; L152-K155 PolarHBondContact O-N 2.65Å; L152-K155 VanDerWaalsContact O-N 3.08Å; L153-K155 PolarHBondContact O-N 2.87Å; K155-A157 PolarHBondContact O-N 3.41Å; K155-A158 PolarHBondContact O-N 3.02Å; K155-Q159 PolarHBondContact O-N 3.27Å; K155-E228 IonicContact NZ-OE1 3.77Å; K155-E228 PolarHBondContact NZ-OE1 2.81Å; K155-E228 IonicContact NZ-OE2 2.78Å; K155-E228 PolarHBondContact NZ-OE2 3.4Å |
| 156 | I | 97.5 | Very high | 96.8 | Very high | 7 Ų | 7 | 49.7 Ų | 49.7 | 4% | 0.036 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.2 | -47.3 | 177.9 | -69.2 | 164.3 | 0 | 0 | 0 | 111.1 | L152 L153 Q159 A160 F216 V218 V232 V245 | L152-I156 HydrophobicContact CD1-CD1 4.4Å; L152-I156 HydrophobicContact CG-CD1 3.96Å; L152-I156 WeakPolarHBondContact O-CG1 3.41Å; L152-I156 PolarHBondContact O-N 3.14Å; L153-I156 HydrophobicContact CD2-CD1 4.23Å; L153-I156 PolarHBondContact O-N 2.98Å; I156-Q159 WeakPolarHBondContact O-CB 3.11Å; I156-Q159 PolarHBondContact O-N 2.99Å; I156-A160 PolarHBondContact O-N 3.15Å; I156-F216 HydrophobicContact CG2-CE1 4.22Å; I156-F216 HydrophobicContact CG2-CZ 4.16Å; I156-V218 HydrophobicContact CD1-CG2 4.44Å; I156-V218 HydrophobicContact CG2-CG1 4.46Å; I156-V232 HydrophobicContact CD1-CG2 3.44Å; I156-V232 VanDerWaalsContact CD1-CG2 3.44Å; I156-V232 HydrophobicContact CG1-CG2 3.95Å; I156-V245 HydrophobicContact CG1-CG2 4.35Å; I156-V245 HydrophobicContact CG2-CG1 4.33Å; I156-V245 HydrophobicContact CG2-CG2 3.83Å |
| 157 | A | 96.4 | Very high | 96.7 | Very high | 3 Ų | 3 | 47.8 Ų | 47.8 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -73.2 | -29.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L153 K155 Q159 A160 Y161 L164 Y173 | L153-A157 WeakPolarHBondContact O-CB 3.49Å; L153-A157 PolarHBondContact O-N 3.3Å; K155-A157 PolarHBondContact O-N 3.41Å; A157-Q159 VanDerWaalsContact C-N 3.29Å; A157-A160 CarbonylContact O-C 3.47Å; A157-A160 PolarHBondContact O-N 3.14Å; A157-Y161 WeakPolarHBondContact O-CA 3.27Å; A157-Y161 PolarHBondContact O-N 3.41Å; A157-L164 HydrophobicContact CB-CD1 3.79Å; A157-Y173 HydrophobicContact CB-CD1 4.37Å; A157-Y173 HydrophobicContact CB-CG 3.84Å |
| 158 | A | 96.6 | Very high | 96.6 | Very high | 62 Ų | 62 | 43.8 Ų | 43.8 | 51% | 0.512 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.8 | -40.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | N154 K155 Y161 | N154-A158 WeakPolarHBondContact O-CB 3.25Å; N154-A158 PolarHBondContact O-N 3.17Å; K155-A158 PolarHBondContact O-N 3.02Å; A158-Y161 WeakPolarHBondContact O-CB 3.29Å; A158-Y161 PolarHBondContact O-N 2.76Å |
| 159 | Q | 96.8 | Very high | 96.2 | Very high | 79 Ų | 79 | 42.9 Ų | 42.9 | 37% | 0.369 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -69.4 | -42.3 | 176.2 | -176.9 | 173.7 | 11.6 | 0 | 0 | 112.7 | K155 I156 A157 Y161 V245 E246 | K155-Q159 PolarHBondContact O-N 3.27Å; I156-Q159 WeakPolarHBondContact O-CB 3.11Å; I156-Q159 PolarHBondContact O-N 2.99Å; A157-Q159 VanDerWaalsContact C-N 3.29Å; Q159-Y161 VanDerWaalsContact C-N 3.27Å; Q159-Y161 PolarHBondContact O-N 3.21Å; Q159-V245 HydrophobicContact CB-CG1 4.25Å; Q159-V245 HydrophobicContact CG-CG1 3.98Å; Q159-E246 PolarHBondContact NE2-OE1 3.44Å; Q159-E246 PolarHBondContact OE1-OE1 3.17Å |
| 160 | A | 96.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 15.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | I156 A157 K162 L163 L164 F216 V245 V249 | I156-A160 PolarHBondContact O-N 3.15Å; A157-A160 CarbonylContact O-C 3.47Å; A157-A160 PolarHBondContact O-N 3.14Å; A160-K162 PolarHBondContact O-N 3.26Å; A160-L163 PolarHBondContact O-N 2.73Å; A160-L164 HydrophobicContact CB-CD1 4.03Å; A160-L164 HydrophobicContact CB-CG 4.1Å; A160-L164 WeakPolarHBondContact O-CG 3.26Å; A160-L164 PolarHBondContact O-N 3Å; A160-F216 HydrophobicContact CB-CE2 4.39Å; A160-F216 HydrophobicContact CB-CZ 4.47Å; A160-V245 HydrophobicContact CB-CG1 4.04Å; A160-V249 HydrophobicContact CB-CG2 4.17Å |
| 161 | Y | 96.9 | Very high | 95.8 | Very high | 113 Ų | 113 | 40.1 Ų | 40.1 | 44% | 0.443 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -53.7 | -51.3 | -166.9 | 173.5 | -94.4 | 0 | 0 | 0 | 112.9 | A157 A158 Q159 L163 L164 F165 | A157-Y161 WeakPolarHBondContact O-CA 3.27Å; A157-Y161 PolarHBondContact O-N 3.41Å; A158-Y161 WeakPolarHBondContact O-CB 3.29Å; A158-Y161 PolarHBondContact O-N 2.76Å; Q159-Y161 VanDerWaalsContact C-N 3.27Å; Q159-Y161 PolarHBondContact O-N 3.21Å; Y161-L163 PolarHBondContact O-N 3.21Å; Y161-L164 PolarHBondContact O-N 2.84Å; Y161-F165 HydrophobicContact CE1-CB 4.39Å; Y161-F165 HydrophobicContact CE1-CG 4.47Å; Y161-F165 HydrophobicContact CE2-CD2 4.29Å; Y161-F165 AromaticContact CZ-CD2 3.94Å; Y161-F165 WeakPolarHBondContact O-CB 3.29Å; Y161-F165 PolarHBondContact O-N 2.96Å |
| 162 | K | 95.4 | Very high | 95.8 | Very high | 95 Ų | 95 | 36.6 Ų | 36.6 | 41% | 0.413 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.5 | -46.5 | -177.5 | -178.9 | -179.7 | 173.4 | -170.8 | 0 | 111.7 | A160 F165 E166 E253 | A160-K162 PolarHBondContact O-N 3.26Å; K162-F165 PolarHBondContact O-N 2.88Å; K162-E166 WeakPolarHBondContact CE-OE1 3.26Å; K162-E166 HydrophobicContact CG-CG 4.49Å; K162-E166 VanDerWaalsContact CG-OE1 3.3Å; K162-E166 WeakPolarHBondContact CG-OE1 3.47Å; K162-E166 VanDerWaalsContact O-CB 3.31Å; K162-E166 WeakPolarHBondContact O-CB 3.3Å; K162-E166 WeakPolarHBondContact O-CG 3.42Å; K162-E166 PolarHBondContact O-N 3.5Å; K162-E253 IonicContact NZ-OE1 3.62Å; K162-E253 PolarHBondContact NZ-OE1 3.11Å |
| 163 | L | 96.5 | Very high | 95.6 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.3 | -53.2 | 176.8 | 177.1 | 160.8 | 0 | 0 | 0 | 110.5 | A160 Y161 F165 E166 T167 F216 Y237 L248 Y252 | A160-L163 PolarHBondContact O-N 2.73Å; Y161-L163 PolarHBondContact O-N 3.21Å; L163-F165 VanDerWaalsContact C-N 3.34Å; L163-F165 PolarHBondContact O-N 3.44Å; L163-E166 PolarHBondContact O-N 2.67Å; L163-T167 VanDerWaalsContact O-CB 3.26Å; L163-T167 WeakPolarHBondContact O-CB 3.46Å; L163-T167 PolarHBondContact O-N 2.7Å; L163-T167 PolarHBondContact O-OG1 3.25Å; L163-F216 HydrophobicContact CD2-CD2 4.26Å; L163-Y237 HydrophobicContact CD2-CD2 4.2Å; L163-Y237 HydrophobicContact CD2-CE2 3.78Å; L163-L248 HydrophobicContact CD1-CD1 3.81Å; L163-L248 HydrophobicContact CD1-CD2 3.94Å; L163-L248 HydrophobicContact CD1-CG 3.68Å; L163-Y252 HydrophobicContact CB-CD1 4.06Å; L163-Y252 HydrophobicContact CB-CD2 4.37Å; L163-Y252 HydrophobicContact CB-CE1 4.09Å; L163-Y252 HydrophobicContact CB-CE2 4.37Å; L163-Y252 HydrophobicContact CB-CG 4.21Å; L163-Y252 HydrophobicContact CD1-CD1 4.42Å; L163-Y252 HydrophobicContact CD1-CD2 3.59Å; L163-Y252 HydrophobicContact CD1-CE2 4.15Å; L163-Y252 HydrophobicContact CD1-CG 3.73Å; L163-Y252 HydrophobicContact CG-CD1 4.37Å; L163-Y252 HydrophobicContact CG-CD2 3.78Å; L163-Y252 HydrophobicContact CG-CE1 4.43Å; L163-Y252 HydrophobicContact CG-CE2 3.81Å; L163-Y252 HydrophobicContact CG-CG 4.06Å |
| 164 | L | 96.6 | Very high | 95.2 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.4 | -42 | -177.6 | -66.6 | 174.5 | 0 | 0 | 0 | 111.6 | A157 A160 Y161 T168 L181 L202 I214 F216 | A157-L164 HydrophobicContact CB-CD1 3.79Å; A160-L164 HydrophobicContact CB-CD1 4.03Å; A160-L164 HydrophobicContact CB-CG 4.1Å; A160-L164 WeakPolarHBondContact O-CG 3.26Å; A160-L164 PolarHBondContact O-N 3Å; Y161-L164 PolarHBondContact O-N 2.84Å; L164-T168 WeakPolarHBondContact O-CB 3.3Å; L164-T168 VanDerWaalsContact O-CG2 3.25Å; L164-T168 WeakPolarHBondContact O-CG2 3.33Å; L164-T168 PolarHBondContact O-N 2.92Å; L164-T168 PolarHBondContact O-OG1 3.15Å; L164-L181 HydrophobicContact CB-CD1 4.26Å; L164-L181 HydrophobicContact CD1-CD1 4.26Å; L164-L181 HydrophobicContact CD2-CD1 4.44Å; L164-L202 HydrophobicContact CD1-CD1 4.41Å; L164-L202 HydrophobicContact CD2-CD1 4.32Å; L164-I214 HydrophobicContact CD2-CD1 3.73Å; L164-F216 HydrophobicContact CD2-CB 4.3Å; L164-F216 HydrophobicContact CD2-CD1 4.5Å; L164-F216 HydrophobicContact CD2-CD2 3.92Å; L164-F216 HydrophobicContact CD2-CE2 4.33Å; L164-F216 HydrophobicContact CD2-CG 4.01Å |
| 165 | F | 95.3 | Very high | 94.7 | Very high | 84 Ų | 84 | 42.9 Ų | 42.9 | 37% | 0.368 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -67.2 | -45.7 | -179.7 | -167.4 | -92.1 | 0 | 0 | 0 | 112.2 | Y161 K162 L163 G169 G170 | Y161-F165 HydrophobicContact CE1-CB 4.39Å; Y161-F165 HydrophobicContact CE1-CG 4.47Å; Y161-F165 HydrophobicContact CE2-CD2 4.29Å; Y161-F165 AromaticContact CZ-CD2 3.94Å; Y161-F165 WeakPolarHBondContact O-CB 3.29Å; Y161-F165 PolarHBondContact O-N 2.96Å; K162-F165 PolarHBondContact O-N 2.88Å; L163-F165 VanDerWaalsContact C-N 3.34Å; L163-F165 PolarHBondContact O-N 3.44Å; F165-G169 PolarHBondContact O-N 3.03Å; F165-G170 VanDerWaalsContact CE2-CA 3.48Å; F165-G170 PolarHBondContact O-N 2.9Å |
| 166 | E | 94.9 | Very high | 94.4 | Very high | 73 Ų | 73 | 39.5 Ų | 39.5 | 34% | 0.341 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.8 | -46.5 | 175.3 | -75.3 | 179 | -161 | 0 | 0 | 110.9 | K162 L163 T168 Y252 K259 | K162-E166 WeakPolarHBondContact CE-OE1 3.26Å; K162-E166 HydrophobicContact CG-CG 4.49Å; K162-E166 VanDerWaalsContact CG-OE1 3.3Å; K162-E166 WeakPolarHBondContact CG-OE1 3.47Å; K162-E166 VanDerWaalsContact O-CB 3.31Å; K162-E166 WeakPolarHBondContact O-CB 3.3Å; K162-E166 WeakPolarHBondContact O-CG 3.42Å; K162-E166 PolarHBondContact O-N 3.5Å; L163-E166 PolarHBondContact O-N 2.67Å; E166-T168 PolarHBondContact O-N 3.07Å; E166-Y252 WeakPolarHBondContact CB-OH 3.05Å; E166-Y252 PolarHBondContact OE2-OH 2.75Å; E166-K259 IonicContact OE2-NZ 3.43Å; E166-K259 PolarHBondContact OE2-NZ 2.84Å |
| 167 | T | 95.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.006 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65 | -41.7 | -176.5 | -65.1 | 0 | 0 | 0 | 0 | 112.9 | L163 Y237 L260 L262 | L163-T167 VanDerWaalsContact O-CB 3.26Å; L163-T167 WeakPolarHBondContact O-CB 3.46Å; L163-T167 PolarHBondContact O-N 2.7Å; L163-T167 PolarHBondContact O-OG1 3.25Å; T167-Y237 HydrophobicContact CG2-CE2 4.24Å; T167-Y237 PolarHBondContact OG1-OH 3.43Å; T167-L260 VanDerWaalsContact CA-O 3.31Å; T167-L260 WeakPolarHBondContact CA-O 3.33Å; T167-L260 HydrophobicContact CG2-CB 3.97Å; T167-L260 PolarHBondContact OG1-O 3Å; T167-L262 HydrophobicContact CG2-CD1 4.41Å; T167-L262 HydrophobicContact CG2-CG 4.25Å; T167-L262 WeakPolarHBondContact O-CB 3.38Å; T167-L262 WeakPolarHBondContact O-CG 3.32Å; T167-L262 PolarHBondContact O-N 2.92Å |
| 168 | T | 94.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -89.8 | -4.7 | -171.2 | 60.3 | 0 | 0 | 0 | 0 | 113.9 | L164 E166 F171 L181 K204 I214 L262 | L164-T168 WeakPolarHBondContact O-CB 3.3Å; L164-T168 VanDerWaalsContact O-CG2 3.25Å; L164-T168 WeakPolarHBondContact O-CG2 3.33Å; L164-T168 PolarHBondContact O-N 2.92Å; L164-T168 PolarHBondContact O-OG1 3.15Å; E166-T168 PolarHBondContact O-N 3.07Å; T168-F171 WeakPolarHBondContact OG1-CA 3.36Å; T168-F171 WeakPolarHBondContact OG1-CB 2.92Å; T168-F171 PolarHBondContact OG1-N 3.49Å; T168-F171 PolarHBondContact OG1-O 3.18Å; T168-L181 HydrophobicContact CG2-CD2 4.1Å; T168-K204 WeakPolarHBondContact O-CE 3.26Å; T168-K204 PolarHBondContact O-NZ 2.71Å; T168-K204 VanDerWaalsContact O-NZ 3.13Å; T168-I214 HydrophobicContact CG2-CB 3.96Å; T168-I214 HydrophobicContact CG2-CD1 3.87Å; T168-I214 HydrophobicContact CG2-CG2 3.73Å; T168-L262 HydrophobicContact CG2-CD1 4.44Å |
| 169 | G | 89.9 | Confident | 93.1 | Very high | 20 Ų | 20 | 49.2 Ų | 49.2 | 21% | 0.206 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 46.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | F165 R179 | F165-G169 PolarHBondContact O-N 3.03Å; G169-R179 PolarHBondContact O-NH2 3.17Å |
| 170 | G | 91.9 | Very high | 93.1 | Very high | 18 Ų | 18 | 46.5 Ų | 46.5 | 19% | 0.186 | 25% | 0.252 | C | S | . | . | S | Bend | trans | 90.7 | 23.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | F165 | F165-G170 VanDerWaalsContact CE2-CA 3.48Å; F165-G170 PolarHBondContact O-N 2.9Å |
| 171 | F | 95 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -87.8 | 146.1 | 165.1 | -72.1 | -116 | 0 | 0 | 0 | 109.9 | T168 R179 C180 L181 K204 V206 H265 | T168-F171 WeakPolarHBondContact OG1-CA 3.36Å; T168-F171 WeakPolarHBondContact OG1-CB 2.92Å; T168-F171 PolarHBondContact OG1-N 3.49Å; T168-F171 PolarHBondContact OG1-O 3.18Å; F171-R179 VanDerWaalsContact CA-O 3.22Å; F171-R179 WeakPolarHBondContact CA-O 3.23Å; F171-R179 HydrophobicContact CB-CB 4.43Å; F171-R179 WeakPolarHBondContact CB-O 3.37Å; F171-R179 HydrophobicContact CD1-CB 3.84Å; F171-R179 WeakPolarHBondContact CD1-O 3.18Å; F171-R179 HydrophobicContact CD2-CB 4.11Å; F171-R179 HydrophobicContact CE1-CB 4.02Å; F171-R179 HydrophobicContact CE2-CB 4.29Å; F171-R179 HydrophobicContact CE2-CG 4.36Å; F171-R179 VanDerWaalsContact CE2-NH2 3.34Å; F171-R179 HydrophobicContact CG-CB 3.86Å; F171-R179 HydrophobicContact CZ-CB 4.23Å; F171-R179 HydrophobicContact CZ-CG 4.3Å; F171-C180 VanDerWaalsContact CD1-O 3.27Å; F171-C180 WeakPolarHBondContact CD1-O 2.85Å; F171-L181 HydrophobicContact CB-CD2 3.6Å; F171-L181 HydrophobicContact CB-CG 4.03Å; F171-L181 HydrophobicContact CD1-CD2 4.3Å; F171-L181 HydrophobicContact CG-CD2 4.28Å; F171-K204 HydrophobicContact CD1-CB 4.08Å; F171-K204 HydrophobicContact CD1-CG 4.13Å; F171-K204 HydrophobicContact CD2-CD 4.19Å; F171-K204 HydrophobicContact CD2-CG 4.37Å; F171-K204 HydrophobicContact CE1-CB 3.83Å; F171-K204 HydrophobicContact CE1-CD 4.42Å; F171-K204 HydrophobicContact CE1-CG 4.17Å; F171-K204 HydrophobicContact CE2-CD 3.9Å; F171-K204 HydrophobicContact CE2-CG 4.37Å; F171-K204 HydrophobicContact CG-CG 4.27Å; F171-K204 HydrophobicContact CZ-CB 4.21Å; F171-K204 HydrophobicContact CZ-CD 4.05Å; F171-K204 HydrophobicContact CZ-CG 4.3Å; F171-V206 HydrophobicContact CE1-CG1 3.79Å; F171-V206 HydrophobicContact CZ-CG1 3.87Å; F171-H265 HydrophobicContact CE2-CB 4.08Å; F171-H265 HydrophobicContact CZ-CB 4.36Å | ||
| 172 | S | 95.1 | Very high | 93.2 | Very high | 13 Ų | 13 | 42.5 Ų | 42.5 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -132.4 | 153.8 | 171.5 | 66.3 | 0 | 0 | 0 | 0 | 110.1 | A174 C176 R179 C180 L181 | S172-A174 WeakPolarHBondContact CB-O 3.44Å; S172-A174 PolarHBondContact OG-O 2.84Å; S172-C176 WeakPolarHBondContact O-CB 3.46Å; S172-C176 WeakPolarHBondContact OG-CB 3.32Å; S172-R179 PolarHBondContact N-O 3.3Å; S172-C180 CarbonylContact O-C 2.94Å; S172-C180 WeakPolarHBondContact O-CA 3.36Å; S172-L181 PolarHBondContact O-N 3.06Å |
| 173 | Y | 94.6 | Very high | 93.3 | Very high | 12 Ų | 12 | 39 Ų | 39 | 5% | 0.047 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -81 | -49.9 | 173.5 | -160.1 | -76.8 | 0 | 0 | 0 | 110.2 | E150 L153 N154 A157 L181 F183 L202 | E150-Y173 VanDerWaalsContact CD-OH 3.22Å; E150-Y173 WeakPolarHBondContact OE1-CE1 3.35Å; E150-Y173 VanDerWaalsContact OE1-CZ 3.25Å; E150-Y173 PolarHBondContact OE1-OH 2.99Å; L153-Y173 HydrophobicContact CB-CE1 3.92Å; L153-Y173 HydrophobicContact CB-CE2 4.1Å; L153-Y173 HydrophobicContact CD1-CE2 4.28Å; L153-Y173 WeakPolarHBondContact CD1-OH 3.44Å; N154-Y173 WeakPolarHBondContact OD1-CD1 3.06Å; A157-Y173 HydrophobicContact CB-CD1 4.37Å; A157-Y173 HydrophobicContact CB-CG 3.84Å; Y173-L181 HydrophobicContact CD2-CB 3.7Å; Y173-L181 HydrophobicContact CG-CB 4.31Å; Y173-F183 VanDerWaalsContact OH-CD1 3.26Å; Y173-F183 WeakPolarHBondContact OH-CD1 3.31Å; Y173-L202 HydrophobicContact CD2-CD1 4.49Å; Y173-L202 HydrophobicContact CD2-CD2 4.15Å; Y173-L202 HydrophobicContact CE2-CD2 3.88Å |
| 174 | A | 88.7 | Confident | 93.4 | Very high | 26 Ų | 26 | 39 Ų | 39 | 22% | 0.215 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -90.2 | 150.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S172 C176 | S172-A174 WeakPolarHBondContact CB-O 3.44Å; S172-A174 PolarHBondContact OG-O 2.84Å; A174-C176 PolarHBondContact O-N 2.58Å; A174-C176 VanDerWaalsContact O-N 3.08Å |
| 175 | N | 86.7 | Confident | 93.4 | Very high | 175 Ų | 175 | 39.4 Ų | 39.4 | 94% | 0.936 | 23% | 0.227 | S | C | * | . | S | Bend | trans | 52.3 | 28.4 | 176.8 | -61.6 | -29.4 | 0 | 0 | 0 | 114.6 | ||
| 176 | C | 90.5 | Very high | 93.5 | Very high | 41 Ų | 41 | 35.5 Ų | 35.5 | 28% | 0.277 | 21% | 0.209 | S | C | . | . | trans | -83.5 | 156.8 | 175.1 | 65.6 | 0 | 0 | 0 | 0 | 110.8 | S172 A174 C180 | S172-C176 WeakPolarHBondContact O-CB 3.46Å; S172-C176 WeakPolarHBondContact OG-CB 3.32Å; A174-C176 PolarHBondContact O-N 2.58Å; A174-C176 VanDerWaalsContact O-N 3.08Å; C176-C180 HydrophobicContact CB-CB 3.88Å; C176-C180 WeakPolarHBondContact CB-SG 3.04Å; C176-C180 WeakPolarHBondContact SG-CA 3.39Å; C176-C180 WeakPolarHBondContact SG-CB 3.26Å; C176-C180 CovalentContact SG-SG 2.03Å; C176-C180 PolarHBondContact SG-SG 2.73Å | ||
| 177 | S | 86.1 | Confident | 93.7 | Very high | 111 Ų | 111 | 32 Ų | 32 | 78% | 0.776 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -118.6 | -66 | 172.9 | 53.7 | 0 | 0 | 0 | 0 | 111.2 | ||
| 178 | N | 86.1 | Confident | 93.8 | Very high | 114 Ų | 114 | 32 Ų | 32 | 61% | 0.61 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -111.2 | -7.2 | -180 | 62.3 | -16.8 | 0 | 0 | 0 | 114 | ||
| 179 | R | 92.4 | Very high | 93.9 | Very high | 51 Ų | 51 | 32.1 Ų | 32.1 | 19% | 0.192 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -124.7 | 61.8 | -178.8 | -61.7 | -178.7 | 77.2 | 85.4 | -13.9 | 110.3 | G169 F171 S172 | G169-R179 PolarHBondContact O-NH2 3.17Å; F171-R179 VanDerWaalsContact CA-O 3.22Å; F171-R179 WeakPolarHBondContact CA-O 3.23Å; F171-R179 HydrophobicContact CB-CB 4.43Å; F171-R179 WeakPolarHBondContact CB-O 3.37Å; F171-R179 HydrophobicContact CD1-CB 3.84Å; F171-R179 WeakPolarHBondContact CD1-O 3.18Å; F171-R179 HydrophobicContact CD2-CB 4.11Å; F171-R179 HydrophobicContact CE1-CB 4.02Å; F171-R179 HydrophobicContact CE2-CB 4.29Å; F171-R179 HydrophobicContact CE2-CG 4.36Å; F171-R179 VanDerWaalsContact CE2-NH2 3.34Å; F171-R179 HydrophobicContact CG-CB 3.86Å; F171-R179 HydrophobicContact CZ-CB 4.23Å; F171-R179 HydrophobicContact CZ-CG 4.3Å; S172-R179 PolarHBondContact N-O 3.3Å |
| 180 | C | 96.4 | Very high | 94.3 | Very high | 22 Ų | 22 | 31.3 Ų | 31.3 | 15% | 0.149 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -87.9 | 144.8 | -177 | -67.6 | 0 | 0 | 0 | 0 | 111.9 | F171 S172 C176 F205 | F171-C180 VanDerWaalsContact CD1-O 3.27Å; F171-C180 WeakPolarHBondContact CD1-O 2.85Å; S172-C180 CarbonylContact O-C 2.94Å; S172-C180 WeakPolarHBondContact O-CA 3.36Å; C176-C180 HydrophobicContact CB-CB 3.88Å; C176-C180 WeakPolarHBondContact CB-SG 3.04Å; C176-C180 WeakPolarHBondContact SG-CA 3.39Å; C176-C180 WeakPolarHBondContact SG-CB 3.26Å; C176-C180 CovalentContact SG-SG 2.03Å; C176-C180 PolarHBondContact SG-SG 2.73Å; C180-F205 HydrophobicContact CB-CB 4.11Å; C180-F205 HydrophobicContact CB-CD1 4.19Å; C180-F205 WeakPolarHBondContact O-CA 3.42Å; C180-F205 WeakPolarHBondContact O-CB 3.03Å; C180-F205 PolarHBondContact O-N 2.78Å |
| 181 | L | 97.6 | Very high | 94.5 | Very high | 8 Ų | 8 | 34.2 Ų | 34.2 | 4% | 0.042 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 153.6 | 162.4 | -61 | 178.4 | 0 | 0 | 0 | 109.8 | L164 T168 F171 S172 Y173 Q203 K204 I214 | L164-L181 HydrophobicContact CB-CD1 4.26Å; L164-L181 HydrophobicContact CD1-CD1 4.26Å; L164-L181 HydrophobicContact CD2-CD1 4.44Å; T168-L181 HydrophobicContact CG2-CD2 4.1Å; F171-L181 HydrophobicContact CB-CD2 3.6Å; F171-L181 HydrophobicContact CB-CG 4.03Å; F171-L181 HydrophobicContact CD1-CD2 4.3Å; F171-L181 HydrophobicContact CG-CD2 4.28Å; S172-L181 PolarHBondContact O-N 3.06Å; Y173-L181 HydrophobicContact CD2-CB 3.7Å; Y173-L181 HydrophobicContact CG-CB 4.31Å; L181-Q203 CarbonylContact C-O 3.55Å; L181-Q203 VanDerWaalsContact CA-O 3.3Å; L181-Q203 WeakPolarHBondContact CA-O 3.37Å; L181-Q203 WeakPolarHBondContact CD2-O 3.27Å; L181-K204 HydrophobicContact CD2-CG 4.43Å; L181-I214 HydrophobicContact CD1-CD1 3.98Å; L181-I214 HydrophobicContact CD2-CD1 4.21Å; L181-I214 HydrophobicContact CD2-CG2 4.3Å |
| 182 | T | 97.7 | Very high | 94.6 | Very high | 23 Ų | 23 | 35.9 Ų | 35.9 | 14% | 0.141 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | -176 | 171.4 | -170.5 | 0 | 0 | 0 | 0 | 108.7 | L202 Q203 F205 Y209 | T182-L202 WeakPolarHBondContact O-CA 3.41Å; T182-Q203 HydrophobicContact CG2-CB 4.07Å; T182-Q203 PolarHBondContact N-O 3.22Å; T182-Q203 PolarHBondContact O-N 2.91Å; T182-F205 HydrophobicContact CG2-CB 3.83Å; T182-F205 HydrophobicContact CG2-CD2 3.74Å; T182-F205 HydrophobicContact CG2-CG 4.12Å; T182-Y209 HydrophobicContact CG2-CD2 3.49Å; T182-Y209 VanDerWaalsContact CG2-CD2 3.49Å; T182-Y209 HydrophobicContact CG2-CE2 4Å; T182-Y209 HydrophobicContact CG2-CG 3.92Å |
| 183 | F | 98 | Very high | 94.6 | Very high | 21 Ų | 21 | 37.8 Ų | 37.8 | 9% | 0.092 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 158.9 | -179.7 | 72 | -84.3 | 0 | 0 | 0 | 113.6 | Y146 I149 E150 L153 Y173 D185 I200 M201 L202 Y448 | Y146-F183 HydrophobicContact CD1-CE2 4.02Å; Y146-F183 AromaticContact CD1-CZ 3.92Å; Y146-F183 HydrophobicContact CD1-CZ 3.92Å; Y146-F183 HydrophobicContact CE1-CE2 4.08Å; Y146-F183 HydrophobicContact CE1-CZ 4.42Å; I149-F183 HydrophobicContact CG2-CE2 4.08Å; I149-F183 HydrophobicContact CG2-CZ 4.07Å; E150-F183 WeakPolarHBondContact OE2-CE1 3.48Å; L153-F183 HydrophobicContact CD1-CB 4.02Å; L153-F183 HydrophobicContact CD1-CD1 3.45Å; L153-F183 VanDerWaalsContact CD1-CD1 3.45Å; L153-F183 HydrophobicContact CD1-CD2 4.12Å; L153-F183 HydrophobicContact CD1-CE1 3.85Å; L153-F183 HydrophobicContact CD1-CE2 4.47Å; L153-F183 HydrophobicContact CD1-CG 3.59Å; L153-F183 HydrophobicContact CD1-CZ 4.35Å; Y173-F183 VanDerWaalsContact OH-CD1 3.26Å; Y173-F183 WeakPolarHBondContact OH-CD1 3.31Å; F183-D185 HydrophobicContact CD2-CB 4.49Å; F183-D185 HydrophobicContact CE2-CB 4.4Å; F183-I200 HydrophobicContact CB-CG2 3.6Å; F183-I200 HydrophobicContact CD2-CG2 3.7Å; F183-I200 HydrophobicContact CG-CG2 3.92Å; F183-M201 VanDerWaalsContact CA-O 3.23Å; F183-M201 WeakPolarHBondContact CA-O 3.4Å; F183-L202 HydrophobicContact CB-CD2 3.84Å; F183-Y448 PolarHBondContact O-OH 3.07Å |
| 184 | S | 97.9 | Very high | 94.6 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.014 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 139 | 161 | -56.6 | 0 | 0 | 0 | 0 | 108.7 | I200 M201 Q203 Y448 | S184-I200 WeakPolarHBondContact O-CA 3.4Å; S184-M201 PolarHBondContact N-O 3.21Å; S184-M201 PolarHBondContact O-N 3.43Å; S184-Q203 VanDerWaalsContact OG-CD 3.3Å; S184-Q203 PolarHBondContact OG-NE2 2.85Å; S184-Q203 VanDerWaalsContact OG-NE2 3.11Å; S184-Q203 PolarHBondContact OG-OE1 3.06Å; S184-Y448 PolarHBondContact OG-OH 3.15Å |
| 185 | D | 97.1 | Very high | 95 | Very high | 13 Ų | 13 | 39 Ų | 39 | 7% | 0.07 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 145.5 | 175.8 | 77.7 | -72.6 | 0 | 0 | 0 | 112.1 | Y146 F183 R189 T198 I200 Y360 | Y146-D185 HydrophobicContact CE1-CB 4.38Å; Y146-D185 WeakPolarHBondContact CE1-OD1 3.32Å; Y146-D185 VanDerWaalsContact OH-CG 3.23Å; Y146-D185 PolarHBondContact OH-OD1 2.78Å; Y146-D185 PolarHBondContact OH-OD2 2.86Å; F183-D185 HydrophobicContact CD2-CB 4.49Å; F183-D185 HydrophobicContact CE2-CB 4.4Å; D185-R189 IonicContact OD2-CZ 3.38Å; D185-R189 IonicContact OD2-NH1 2.89Å; D185-R189 PolarHBondContact OD2-NH1 3.03Å; D185-R189 IonicContact OD2-NH2 3.85Å; D185-R189 PolarHBondContact OD2-NH2 3.09Å; D185-T198 HydrophobicContact CB-CG2 3.8Å; D185-I200 HydrophobicContact CB-CG1 4.43Å; D185-Y360 PolarHBondContact O-OH 3Å |
| 186 | I | 97.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | trans | -108.1 | 144 | -172.8 | -52.4 | -54.2 | 0 | 0 | 0 | 112.2 | T198 W199 M201 A354 Q357 T358 Y360 | I186-T198 WeakPolarHBondContact O-CG2 3.29Å; I186-W199 HydrophobicContact CB-CB 4.17Å; I186-W199 WeakPolarHBondContact CB-O 3.48Å; I186-W199 HydrophobicContact CG1-CB 4.18Å; I186-W199 WeakPolarHBondContact CG1-O 3.23Å; I186-W199 PolarHBondContact N-O 3.1Å; I186-M201 HydrophobicContact CD1-SD 4.4Å; I186-A354 HydrophobicContact CD1-CB 4.1Å; I186-A354 HydrophobicContact CG1-CB 3.66Å; I186-Q357 HydrophobicContact CG2-CB 4.07Å; I186-Q357 HydrophobicContact CG2-CG 4.18Å; I186-T358 HydrophobicContact CG2-CG2 4.35Å; I186-T358 WeakPolarHBondContact CG2-OG1 3.42Å; I186-Y360 WeakPolarHBondContact CD1-OH 3.24Å | ||
| 187 | A | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -132 | 154.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | R189 T358 K359 Y360 Q630 | A187-R189 HydrophobicContact CB-CG 4.37Å; A187-T358 WeakPolarHBondContact O-CA 3.47Å; A187-K359 PolarHBondContact O-N 3.13Å; A187-Y360 HydrophobicContact CB-CD1 4.36Å; A187-Y360 HydrophobicContact CB-CE1 4.34Å; A187-Q630 VanDerWaalsContact CB-CD 3.41Å; A187-Q630 HydrophobicContact CB-CG 3.81Å; A187-Q630 VanDerWaalsContact CB-NE2 3.28Å |
| 188 | P | 98.1 | Very high | 96.5 | Very high | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.013 | 14% | 0.143 | C | C | . | . | S | Bend | cis | -69.4 | 156.2 | 2.6 | 29.5 | -37.6 | 0 | 0 | 0 | 113.3 | G190 Q357 E601 Q630 P633 W634 | P188-G190 PolarHBondContact O-N 2.77Å; P188-Q357 PolarHBondContact O-NE2 3.42Å; P188-E601 HydrophobicContact CG-CG 4.2Å; P188-Q630 WeakPolarHBondContact CA-O 3.4Å; P188-Q630 VanDerWaalsContact CB-O 3.3Å; P188-Q630 WeakPolarHBondContact CB-O 3.39Å; P188-P633 HydrophobicContact CB-CG 3.88Å; P188-P633 HydrophobicContact CG-CG 4.22Å; P188-W634 HydrophobicContact CB-CH2 3.86Å; P188-W634 HydrophobicContact CB-CZ2 4.23Å; P188-W634 HydrophobicContact CG-CH2 4.34Å; P188-W634 HydrophobicContact CG-CZ2 4.23Å |
| 189 | R | 98 | Very high | 97.1 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 0% | 0.004 | 12% | 0.119 | C | C | . | . | trans | -94.5 | 64.6 | -167.3 | -52.8 | -177 | -173.1 | -91.2 | -4.5 | 112.1 | D185 A187 E195 R196 R197 T198 N631 | D185-R189 IonicContact OD2-CZ 3.38Å; D185-R189 IonicContact OD2-NH1 2.89Å; D185-R189 PolarHBondContact OD2-NH1 3.03Å; D185-R189 IonicContact OD2-NH2 3.85Å; D185-R189 PolarHBondContact OD2-NH2 3.09Å; A187-R189 HydrophobicContact CB-CG 4.37Å; R189-E195 CarbonylContact O-C 3.57Å; R189-E195 VanDerWaalsContact O-C 3.28Å; R189-E195 VanDerWaalsContact O-O 3.11Å; R189-R196 HydrophobicContact CB-CG 4.48Å; R189-R196 CarbonylContact O-C 3.46Å; R189-R196 VanDerWaalsContact O-CA 3.25Å; R189-R196 WeakPolarHBondContact O-CA 3.27Å; R189-R196 PolarHBondContact O-N 2.94Å; R189-R197 CarbonylContact C-O 3.52Å; R189-R197 WeakPolarHBondContact CA-O 3.19Å; R189-R197 PolarHBondContact O-N 2.96Å; R189-T198 WeakPolarHBondContact CD-OG1 3.42Å; R189-T198 VanDerWaalsContact CG-OG1 3.24Å; R189-T198 WeakPolarHBondContact CG-OG1 3.23Å; R189-T198 PolarHBondContact NH1-OG1 2.95Å; R189-N631 WeakPolarHBondContact CD-OD1 3.42Å; R189-N631 WeakPolarHBondContact CG-OD1 3.16Å; R189-N631 PolarHBondContact NE-OD1 2.81Å | ||
| 190 | G | 96.8 | Very high | 97.4 | Very high | 4 Ų | 4 | 19.2 Ų | 19.2 | 4% | 0.041 | 11% | 0.11 | C | C | . | . | S | Bend | trans | 140.2 | -164.7 | -179 | 0 | 0 | 0 | 0 | 0 | 111.7 | P188 E195 R197 Q357 W634 | P188-G190 PolarHBondContact O-N 2.77Å; G190-E195 WeakPolarHBondContact CA-OE2 3.45Å; G190-R197 PolarHBondContact N-O 2.85Å; G190-R197 VanDerWaalsContact N-O 3.14Å; G190-Q357 PolarHBondContact O-NE2 3.24Å; G190-W634 VanDerWaalsContact O-CH2 3.26Å; G190-W634 WeakPolarHBondContact O-CH2 3.3Å; G190-W634 WeakPolarHBondContact O-CZ2 3.14Å |
| 191 | L | 96.5 | Very high | 97.5 | Very high | 79 Ų | 79 | 18.2 Ų | 18.2 | 41% | 0.414 | 10% | 0.103 | S | C | . | . | S | Bend | trans | -125.7 | -2 | -175.9 | -58 | 177.7 | 0 | 0 | 0 | 113 | E195 W634 | L191-E195 PolarHBondContact N-OE2 2.78Å; L191-W634 VanDerWaalsContact C-CZ2 3.5Å |
| 192 | A | 96.3 | Very high | 97.5 | Very high | 34 Ų | 34 | 18 Ų | 18 | 28% | 0.281 | 10% | 0.102 | S | C | . | . | S | Bend | trans | -154.9 | 161.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | E195 W634 | A192-E195 HydrophobicContact CB-CG 4.35Å; A192-E195 WeakPolarHBondContact O-CB 3.33Å; A192-E195 PolarHBondContact O-N 2.82Å; A192-W634 VanDerWaalsContact O-CE3 3.31Å; A192-W634 VanDerWaalsContact O-CZ3 3.24Å; A192-W634 WeakPolarHBondContact O-CZ3 3.3Å |
| 193 | P | 95.9 | Very high | 97.5 | Very high | 54 Ų | 54 | 17 Ų | 17 | 35% | 0.351 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 140.8 | 176.9 | -20.1 | 27.6 | 0 | 0 | 0 | 112.7 | E195 W634 E635 | P193-E195 PolarHBondContact O-N 2.83Å; P193-W634 HydrophobicContact CG-CB 3.67Å; P193-E635 HydrophobicContact CB-CB 4.31Å; P193-E635 HydrophobicContact CB-CG 4.06Å; P193-E635 HydrophobicContact CG-CB 4.33Å; P193-E635 HydrophobicContact CG-CG 3.7Å |
| 194 | G | 94.3 | Very high | 97.5 | Very high | 19 Ų | 19 | 16.6 Ų | 16.6 | 20% | 0.196 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 2.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | E137 Q223 | E137-G194 WeakPolarHBondContact CG-O 3.33Å; G194-Q223 PolarHBondContact O-NE2 2.95Å; G194-Q223 PolarHBondContact O-OE1 3.48Å |
| 195 | E | 97.5 | Very high | 97.4 | Very high | 43 Ų | 43 | 22 Ų | 22 | 20% | 0.201 | 12% | 0.117 | C | C | . | . | trans | -80.7 | 151.7 | 169.5 | -65.6 | -173.2 | -179.7 | 0 | 0 | 111.4 | R189 G190 L191 A192 P193 R197 | R189-E195 CarbonylContact O-C 3.57Å; R189-E195 VanDerWaalsContact O-C 3.28Å; R189-E195 VanDerWaalsContact O-O 3.11Å; G190-E195 WeakPolarHBondContact CA-OE2 3.45Å; L191-E195 PolarHBondContact N-OE2 2.78Å; A192-E195 HydrophobicContact CB-CG 4.35Å; A192-E195 WeakPolarHBondContact O-CB 3.33Å; A192-E195 PolarHBondContact O-N 2.82Å; P193-E195 PolarHBondContact O-N 2.83Å; E195-R197 VanDerWaalsContact CD-NH2 3.31Å; E195-R197 IonicContact OE1-NH2 3.8Å; E195-R197 PolarHBondContact OE1-NH2 2.94Å; E195-R197 IonicContact OE2-CZ 2.84Å; E195-R197 VanDerWaalsContact OE2-CZ 3.26Å; E195-R197 IonicContact OE2-NE 3.8Å; E195-R197 PolarHBondContact OE2-NE 3.07Å; E195-R197 IonicContact OE2-NH2 3.72Å; E195-R197 PolarHBondContact OE2-NH2 2.95Å | ||
| 196 | R | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -142.6 | 72.8 | 172.9 | -162.1 | 177.1 | -179.9 | 86 | -4.1 | 111.5 | E137 R139 E145 R189 H222 Q223 | E137-R196 HydrophobicContact CB-CB 4.42Å; E137-R196 HydrophobicContact CG-CB 4.46Å; E137-R196 PolarHBondContact O-NH1 3.38Å; R139-R196 PolarHBondContact O-NH1 2.94Å; E145-R196 IonicContact OE1-CZ 3.02Å; E145-R196 IonicContact OE1-NE 3.5Å; E145-R196 PolarHBondContact OE1-NE 3.45Å; E145-R196 IonicContact OE1-NH2 3.07Å; E145-R196 PolarHBondContact OE1-NH2 3.42Å; E145-R196 IonicContact OE2-CZ 2.78Å; E145-R196 IonicContact OE2-NE 3.48Å; E145-R196 IonicContact OE2-NH2 3.21Å; E145-R196 PolarHBondContact OE2-NH2 3.44Å; R189-R196 HydrophobicContact CB-CG 4.48Å; R189-R196 CarbonylContact O-C 3.46Å; R189-R196 VanDerWaalsContact O-CA 3.25Å; R189-R196 WeakPolarHBondContact O-CA 3.27Å; R189-R196 PolarHBondContact O-N 2.94Å; R196-H222 VanDerWaalsContact CG-CE1 3.42Å; R196-H222 WeakPolarHBondContact CG-CE1 3.41Å; R196-H222 PolarHBondContact NE-CE1 3.34Å; R196-H222 PolarHBondContact NE-ND1 3.27Å; R196-H222 PolarHBondContact O-N 2.79Å; R196-Q223 HydrophobicContact CB-CB 3.95Å; R196-Q223 HydrophobicContact CB-CG 4.22Å; R196-Q223 PolarHBondContact O-N 3.31Å | ||
| 197 | R | 98.5 | Very high | 97.1 | Very high | 50 Ų | 50 | 26.5 Ų | 26.5 | 19% | 0.189 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 122 | -175.7 | -52.2 | -177 | -66.1 | 161.5 | -3.4 | 110 | R189 G190 E195 L219 V220 N221 E233 | R189-R197 CarbonylContact C-O 3.52Å; R189-R197 WeakPolarHBondContact CA-O 3.19Å; R189-R197 PolarHBondContact O-N 2.96Å; G190-R197 PolarHBondContact N-O 2.85Å; G190-R197 VanDerWaalsContact N-O 3.14Å; E195-R197 VanDerWaalsContact CD-NH2 3.31Å; E195-R197 IonicContact OE1-NH2 3.8Å; E195-R197 PolarHBondContact OE1-NH2 2.94Å; E195-R197 IonicContact OE2-CZ 2.84Å; E195-R197 VanDerWaalsContact OE2-CZ 3.26Å; E195-R197 IonicContact OE2-NE 3.8Å; E195-R197 PolarHBondContact OE2-NE 3.07Å; E195-R197 IonicContact OE2-NH2 3.72Å; E195-R197 PolarHBondContact OE2-NH2 2.95Å; R197-L219 HydrophobicContact CB-CD1 4.09Å; R197-V220 CarbonylContact C-O 3.59Å; R197-V220 VanDerWaalsContact CA-O 3.28Å; R197-V220 WeakPolarHBondContact CA-O 3.38Å; R197-N221 HydrophobicContact CG-CB 4.09Å; R197-E233 WeakPolarHBondContact CD-OE1 3.37Å; R197-E233 VanDerWaalsContact CD-OE2 3.3Å; R197-E233 WeakPolarHBondContact CD-OE2 3.33Å; R197-E233 IonicContact CZ-OE2 3.73Å; R197-E233 IonicContact NE-OE2 2.71Å; R197-E233 IonicContact NH1-OE2 3.51Å; R197-E233 PolarHBondContact NH1-OE2 3Å |
| 198 | T | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 125.7 | -170.6 | -71 | 0 | 0 | 0 | 0 | 111 | D185 I186 R189 I200 V220 H222 | D185-T198 HydrophobicContact CB-CG2 3.8Å; I186-T198 WeakPolarHBondContact O-CG2 3.29Å; R189-T198 WeakPolarHBondContact CD-OG1 3.42Å; R189-T198 VanDerWaalsContact CG-OG1 3.24Å; R189-T198 WeakPolarHBondContact CG-OG1 3.23Å; R189-T198 PolarHBondContact NH1-OG1 2.95Å; T198-I200 HydrophobicContact CG2-CG1 3.91Å; T198-V220 PolarHBondContact N-O 3.21Å; T198-V220 PolarHBondContact O-N 3.1Å; T198-H222 WeakPolarHBondContact CB-NE2 3.19Å; T198-H222 PolarHBondContact OG1-NE2 2.81Å |
| 199 | W | 98.8 | Very high | 97 | Very high | 28 Ų | 28 | 28.9 Ų | 28.9 | 11% | 0.106 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 131.2 | 160.2 | -81.2 | 107.3 | 0 | 0 | 0 | 109 | I186 E217 V218 L219 K234 W236 Y241 P353 A354 | I186-W199 HydrophobicContact CB-CB 4.17Å; I186-W199 WeakPolarHBondContact CB-O 3.48Å; I186-W199 HydrophobicContact CG1-CB 4.18Å; I186-W199 WeakPolarHBondContact CG1-O 3.23Å; I186-W199 PolarHBondContact N-O 3.1Å; W199-E217 HydrophobicContact CE3-CB 3.91Å; W199-E217 HydrophobicContact CZ3-CB 4.03Å; W199-V218 CarbonylContact C-O 3.56Å; W199-V218 WeakPolarHBondContact CA-O 3.39Å; W199-V218 VanDerWaalsContact CE3-C 3.47Å; W199-L219 HydrophobicContact CD2-CB 3.93Å; W199-L219 HydrophobicContact CD2-CD1 4.25Å; W199-L219 HydrophobicContact CE3-CB 4.04Å; W199-L219 HydrophobicContact CG-CD1 4.1Å; W199-L219 HydrophobicContact CH2-CB 4.04Å; W199-L219 HydrophobicContact CZ2-CB 3.91Å; W199-L219 HydrophobicContact CZ2-CD2 4.3Å; W199-L219 HydrophobicContact CZ3-CB 4.1Å; W199-K234 HydrophobicContact CH2-CB 3.8Å; W199-K234 HydrophobicContact CZ2-CB 4.18Å; W199-W236 HydrophobicContact CH2-CB 4.2Å; W199-W236 HydrophobicContact CZ3-CB 4.05Å; W199-Y241 HydrophobicContact CH2-CE1 4.22Å; W199-Y241 HydrophobicContact CZ2-CE1 4.33Å; W199-P353 HydrophobicContact CD2-CB 3.56Å; W199-P353 HydrophobicContact CD2-CG 4.48Å; W199-P353 HydrophobicContact CE3-CB 3.89Å; W199-P353 HydrophobicContact CE3-CG 4.36Å; W199-P353 HydrophobicContact CG-CB 4.19Å; W199-P353 HydrophobicContact CH2-CB 3.68Å; W199-P353 HydrophobicContact CH2-CG 3.71Å; W199-P353 HydrophobicContact CZ2-CB 3.33Å; W199-P353 HydrophobicContact CZ2-CG 3.83Å; W199-P353 HydrophobicContact CZ3-CB 3.94Å; W199-P353 HydrophobicContact CZ3-CG 3.99Å; W199-A354 HydrophobicContact CB-CB 4.47Å |
| 200 | I | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 125.4 | 177.3 | -61.3 | 175.9 | 0 | 0 | 0 | 106.9 | I149 L153 F183 S184 D185 T198 E217 V218 V220 | I149-I200 HydrophobicContact CG2-CD1 3.46Å; I149-I200 VanDerWaalsContact CG2-CD1 3.46Å; L153-I200 HydrophobicContact CD1-CG2 4.03Å; L153-I200 HydrophobicContact CD2-CD1 4.36Å; L153-I200 HydrophobicContact CD2-CG2 4.12Å; F183-I200 HydrophobicContact CB-CG2 3.6Å; F183-I200 HydrophobicContact CD2-CG2 3.7Å; F183-I200 HydrophobicContact CG-CG2 3.92Å; S184-I200 WeakPolarHBondContact O-CA 3.4Å; D185-I200 HydrophobicContact CB-CG1 4.43Å; T198-I200 HydrophobicContact CG2-CG1 3.91Å; I200-E217 CarbonylContact O-C 3.54Å; I200-E217 WeakPolarHBondContact O-CA 3.28Å; I200-V218 HydrophobicContact CB-CG2 4.04Å; I200-V218 PolarHBondContact N-O 3.29Å; I200-V218 PolarHBondContact O-N 3.25Å; I200-V220 HydrophobicContact CD1-CB 4.23Å; I200-V220 HydrophobicContact CD1-CG2 3.9Å |
| 201 | M | 97.9 | Very high | 97 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 133.4 | 176.6 | 57.5 | 178.1 | -73.5 | 0 | 0 | 110.1 | F183 S184 I186 Q203 P213 E217 A354 A476 T477 | F183-M201 VanDerWaalsContact CA-O 3.23Å; F183-M201 WeakPolarHBondContact CA-O 3.4Å; S184-M201 PolarHBondContact N-O 3.21Å; S184-M201 PolarHBondContact O-N 3.43Å; I186-M201 HydrophobicContact CD1-SD 4.4Å; M201-Q203 HydrophobicContact CE-CG 4.09Å; M201-P213 HydrophobicContact CE-CB 3.92Å; M201-E217 HydrophobicContact CB-CG 3.84Å; M201-A354 HydrophobicContact CB-CB 4.44Å; M201-A354 HydrophobicContact SD-CB 4.46Å; M201-A476 WeakPolarHBondContact CE-O 3.23Å; M201-T477 HydrophobicContact CE-CG2 4.42Å; M201-T477 HydrophobicContact SD-CG2 4.26Å |
| 202 | L | 98.1 | Very high | 97 | Very high | 4 Ų | 4 | 26.8 Ų | 26.8 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 146.7 | 175.9 | -63.4 | -169.9 | 0 | 0 | 0 | 111.5 | L153 L164 Y173 T182 F183 I214 F216 | L153-L202 HydrophobicContact CD2-CD2 4.42Å; L164-L202 HydrophobicContact CD1-CD1 4.41Å; L164-L202 HydrophobicContact CD2-CD1 4.32Å; Y173-L202 HydrophobicContact CD2-CD1 4.49Å; Y173-L202 HydrophobicContact CD2-CD2 4.15Å; Y173-L202 HydrophobicContact CE2-CD2 3.88Å; T182-L202 WeakPolarHBondContact O-CA 3.41Å; F183-L202 HydrophobicContact CB-CD2 3.84Å; L202-I214 HydrophobicContact CB-CD1 3.71Å; L202-I214 HydrophobicContact CB-CG1 3.77Å; L202-I214 HydrophobicContact CD1-CD1 4.37Å; L202-I214 WeakPolarHBondContact O-CG1 3.47Å; L202-I214 PolarHBondContact O-N 3.38Å; L202-I214 VanDerWaalsContact O-N 3.15Å; L202-F216 HydrophobicContact CD1-CD1 3.58Å; L202-F216 HydrophobicContact CD1-CE1 3.98Å; L202-F216 HydrophobicContact CD1-CG 4.37Å; L202-F216 HydrophobicContact CG-CD1 3.9Å; L202-F216 PolarHBondContact N-O 2.87Å |
| 203 | Q | 97.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 158.7 | -177.7 | -72.8 | 153.4 | -41 | 0 | 0 | 110.6 | L181 T182 S184 M201 F210 H212 | L181-Q203 CarbonylContact C-O 3.55Å; L181-Q203 VanDerWaalsContact CA-O 3.3Å; L181-Q203 WeakPolarHBondContact CA-O 3.37Å; L181-Q203 WeakPolarHBondContact CD2-O 3.27Å; T182-Q203 HydrophobicContact CG2-CB 4.07Å; T182-Q203 PolarHBondContact N-O 3.22Å; T182-Q203 PolarHBondContact O-N 2.91Å; S184-Q203 VanDerWaalsContact OG-CD 3.3Å; S184-Q203 PolarHBondContact OG-NE2 2.85Å; S184-Q203 VanDerWaalsContact OG-NE2 3.11Å; S184-Q203 PolarHBondContact OG-OE1 3.06Å; M201-Q203 HydrophobicContact CE-CG 4.09Å; Q203-F210 PolarHBondContact NE2-O 2.76Å; Q203-F210 VanDerWaalsContact NE2-O 3.14Å; Q203-H212 CarbonylContact C-O 3.59Å; Q203-H212 VanDerWaalsContact CA-O 3.23Å; Q203-H212 WeakPolarHBondContact CA-O 3.32Å; Q203-H212 WeakPolarHBondContact CB-O 3.42Å |
| 204 | K | 96.6 | Very high | 97.1 | Very high | 13 Ų | 13 | 23 Ų | 23 | 6% | 0.057 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 126.2 | 166.7 | -63.4 | -179.6 | 175.3 | -177 | 0 | 109.1 | T168 F171 L181 V206 Y209 H212 I214 P263 | T168-K204 WeakPolarHBondContact O-CE 3.26Å; T168-K204 PolarHBondContact O-NZ 2.71Å; T168-K204 VanDerWaalsContact O-NZ 3.13Å; F171-K204 HydrophobicContact CD1-CB 4.08Å; F171-K204 HydrophobicContact CD1-CG 4.13Å; F171-K204 HydrophobicContact CD2-CD 4.19Å; F171-K204 HydrophobicContact CD2-CG 4.37Å; F171-K204 HydrophobicContact CE1-CB 3.83Å; F171-K204 HydrophobicContact CE1-CD 4.42Å; F171-K204 HydrophobicContact CE1-CG 4.17Å; F171-K204 HydrophobicContact CE2-CD 3.9Å; F171-K204 HydrophobicContact CE2-CG 4.37Å; F171-K204 HydrophobicContact CG-CG 4.27Å; F171-K204 HydrophobicContact CZ-CB 4.21Å; F171-K204 HydrophobicContact CZ-CD 4.05Å; F171-K204 HydrophobicContact CZ-CG 4.3Å; L181-K204 HydrophobicContact CD2-CG 4.43Å; K204-V206 HydrophobicContact CB-CG1 4.23Å; K204-V206 HydrophobicContact CB-CG2 4.44Å; K204-V206 PolarHBondContact O-N 2.96Å; K204-Y209 WeakPolarHBondContact O-CB 3.46Å; K204-H212 HydrophobicContact CB-CB 4.01Å; K204-H212 PolarHBondContact N-O 3.28Å; K204-I214 HydrophobicContact CG-CG2 3.78Å; K204-P263 PolarHBondContact NZ-O 3.33Å |
| 205 | F | 96.1 | Very high | 97.2 | Very high | 114 Ų | 114 | 22.2 Ų | 22.2 | 50% | 0.5 | 10% | 0.102 | S | C | . | . | trans | -81.4 | 86 | 178.5 | -168.8 | -139.4 | 0 | 0 | 0 | 111 | C180 T182 Y209 | C180-F205 HydrophobicContact CB-CB 4.11Å; C180-F205 HydrophobicContact CB-CD1 4.19Å; C180-F205 WeakPolarHBondContact O-CA 3.42Å; C180-F205 WeakPolarHBondContact O-CB 3.03Å; C180-F205 PolarHBondContact O-N 2.78Å; T182-F205 HydrophobicContact CG2-CB 3.83Å; T182-F205 HydrophobicContact CG2-CD2 3.74Å; T182-F205 HydrophobicContact CG2-CG 4.12Å; F205-Y209 HydrophobicContact CD2-CD1 4.11Å; F205-Y209 HydrophobicContact CD2-CG 4.29Å; F205-Y209 HydrophobicContact CE2-CD1 4.18Å; F205-Y209 HydrophobicContact CE2-CE1 4.39Å | ||
| 206 | V | 94.4 | Very high | 97.3 | Very high | 19 Ų | 19 | 20.2 Ų | 20.2 | 12% | 0.115 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -134.7 | 174.5 | -177.4 | -58.5 | 0 | 0 | 0 | 0 | 109.3 | F171 K204 G208 Y209 H212 H265 L270 | F171-V206 HydrophobicContact CE1-CG1 3.79Å; F171-V206 HydrophobicContact CZ-CG1 3.87Å; K204-V206 HydrophobicContact CB-CG1 4.23Å; K204-V206 HydrophobicContact CB-CG2 4.44Å; K204-V206 PolarHBondContact O-N 2.96Å; V206-G208 PolarHBondContact O-N 2.95Å; V206-Y209 WeakPolarHBondContact O-CB 3.48Å; V206-Y209 PolarHBondContact O-N 2.91Å; V206-H212 HydrophobicContact CG2-CB 4.36Å; V206-H212 VanDerWaalsContact CG2-CD2 3.47Å; V206-H212 WeakPolarHBondContact CG2-CD2 3.47Å; V206-H265 WeakPolarHBondContact CG1-CE1 3.46Å; V206-L270 HydrophobicContact CB-CD1 4.39Å |
| 207 | E | 95 | Very high | 97.3 | Very high | 91 Ų | 91 | 20.4 Ų | 20.4 | 43% | 0.425 | 9% | 0.093 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 124.3 | 175.9 | -169.2 | -170.7 | 164.1 | 0 | 0 | 110.1 | L270 S272 T273 Y274 | E207-L270 HydrophobicContact CB-CD1 3.98Å; E207-S272 VanDerWaalsContact O-CB 3.27Å; E207-S272 WeakPolarHBondContact O-CB 3.36Å; E207-S272 PolarHBondContact O-OG 3.4Å; E207-T273 WeakPolarHBondContact OE1-CA 3.27Å; E207-T273 PolarHBondContact OE1-OG1 2.87Å; E207-T273 VanDerWaalsContact OE2-CB 3.26Å; E207-T273 WeakPolarHBondContact OE2-CB 3.29Å; E207-T273 PolarHBondContact OE2-OG1 3.35Å; E207-Y274 PolarHBondContact OE1-N 2.84Å |
| 208 | G | 95.7 | Very high | 97.3 | Very high | 9 Ų | 9 | 18 Ų | 18 | 9% | 0.093 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67 | 36.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | V206 F210 I211 H212 | V206-G208 PolarHBondContact O-N 2.95Å; G208-F210 PolarHBondContact O-N 2.78Å; G208-I211 VanDerWaalsContact O-CG1 3.29Å; G208-I211 WeakPolarHBondContact O-CG1 3.34Å; G208-I211 PolarHBondContact O-N 2.9Å; G208-H212 PolarHBondContact O-CD2 3.03Å |
| 209 | Y | 96.9 | Very high | 97.3 | Very high | 43 Ų | 43 | 18.9 Ų | 18.9 | 17% | 0.169 | 9% | 0.089 | C | C | . | . | G | 310 helix | trans | -49.7 | -22.5 | -177.4 | 69 | -91.1 | 0 | 0 | 0 | 115.8 | T182 K204 F205 V206 I211 H212 Y448 | T182-Y209 HydrophobicContact CG2-CD2 3.49Å; T182-Y209 VanDerWaalsContact CG2-CD2 3.49Å; T182-Y209 HydrophobicContact CG2-CE2 4Å; T182-Y209 HydrophobicContact CG2-CG 3.92Å; K204-Y209 WeakPolarHBondContact O-CB 3.46Å; F205-Y209 HydrophobicContact CD2-CD1 4.11Å; F205-Y209 HydrophobicContact CD2-CG 4.29Å; F205-Y209 HydrophobicContact CE2-CD1 4.18Å; F205-Y209 HydrophobicContact CE2-CE1 4.39Å; V206-Y209 WeakPolarHBondContact O-CB 3.48Å; V206-Y209 PolarHBondContact O-N 2.91Å; Y209-I211 PolarHBondContact O-N 3.01Å; Y209-I211 VanDerWaalsContact O-N 3.07Å; Y209-H212 PolarHBondContact O-N 2.94Å; Y209-Y448 HydrophobicContact CE2-CE2 4.5Å; Y209-Y448 AromaticContact CE2-CZ 3.97Å; Y209-Y448 WeakPolarHBondContact CE2-OH 3.48Å; Y209-Y448 WeakPolarHBondContact OH-CE2 3.32Å; Y209-Y448 PolarHBondContact OH-OH 3.09Å |
| 210 | F | 97.6 | Very high | 97.3 | Very high | 26 Ų | 26 | 17.5 Ų | 17.5 | 11% | 0.114 | 8% | 0.084 | C | C | . | . | G | 310 helix | trans | -51.1 | -32.8 | 178 | -50.1 | -72.6 | 0 | 0 | 0 | 113.5 | Q203 G208 Y448 N449 Y473 | Q203-F210 PolarHBondContact NE2-O 2.76Å; Q203-F210 VanDerWaalsContact NE2-O 3.14Å; G208-F210 PolarHBondContact O-N 2.78Å; F210-Y448 HydrophobicContact CD1-CD1 4.05Å; F210-Y448 AromaticContact CD1-CE1 3.55Å; F210-Y448 HydrophobicContact CD1-CE1 3.55Å; F210-Y448 HydrophobicContact CD1-CE2 4.46Å; F210-Y448 AromaticContact CD1-CZ 3.81Å; F210-Y448 AromaticContact CE1-CD1 3.83Å; F210-Y448 HydrophobicContact CE1-CD1 3.83Å; F210-Y448 AromaticContact CE1-CD2 3.96Å; F210-Y448 HydrophobicContact CE1-CD2 3.96Å; F210-Y448 AromaticContact CE1-CE1 3.56Å; F210-Y448 HydrophobicContact CE1-CE1 3.56Å; F210-Y448 AromaticContact CE1-CE2 3.71Å; F210-Y448 HydrophobicContact CE1-CE2 3.71Å; F210-Y448 HydrophobicContact CE1-CG 4.03Å; F210-Y448 AromaticContact CE1-CZ 3.52Å; F210-N449 HydrophobicContact CB-CB 4.34Å; F210-N449 HydrophobicContact CD1-CB 3.63Å; F210-N449 HydrophobicContact CD2-CB 4.38Å; F210-N449 HydrophobicContact CE1-CB 3.91Å; F210-N449 HydrophobicContact CG-CB 3.87Å; F210-N449 HydrophobicContact CZ-CB 4.4Å; F210-Y473 HydrophobicContact CB-CG 4.45Å; F210-Y473 HydrophobicContact CD2-CD1 4.23Å; F210-Y473 AromaticContact CD2-CD2 3.53Å; F210-Y473 HydrophobicContact CD2-CD2 3.53Å; F210-Y473 HydrophobicContact CD2-CE2 4.25Å; F210-Y473 AromaticContact CD2-CG 3.52Å; F210-Y473 HydrophobicContact CD2-CG 3.52Å; F210-Y473 AromaticContact CE2-CD2 3.72Å; F210-Y473 HydrophobicContact CE2-CD2 3.72Å; F210-Y473 HydrophobicContact CE2-CE2 4.3Å; F210-Y473 HydrophobicContact CE2-CG 4.2Å; F210-Y473 HydrophobicContact CG-CG 4.37Å |
| 211 | I | 97.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | G | 310 helix | trans | -101.6 | 14.5 | -179.4 | 55.5 | 177.5 | 0 | 0 | 0 | 113.3 | G208 Y209 P213 Y271 Y473 I474 A476 V494 I672 | G208-I211 VanDerWaalsContact O-CG1 3.29Å; G208-I211 WeakPolarHBondContact O-CG1 3.34Å; G208-I211 PolarHBondContact O-N 2.9Å; Y209-I211 PolarHBondContact O-N 3.01Å; Y209-I211 VanDerWaalsContact O-N 3.07Å; I211-P213 WeakPolarHBondContact O-CD 3.32Å; I211-Y271 HydrophobicContact CB-CE2 4.37Å; I211-Y271 HydrophobicContact CD1-CD2 4Å; I211-Y271 HydrophobicContact CD1-CE2 3.66Å; I211-Y271 HydrophobicContact CG1-CE2 3.91Å; I211-Y271 PolarHBondContact O-OH 2.98Å; I211-Y473 HydrophobicContact CD1-CD1 4.03Å; I211-Y473 HydrophobicContact CD1-CE1 4.15Å; I211-Y473 HydrophobicContact CG1-CD1 4.25Å; I211-I474 HydrophobicContact CG2-CD1 4.47Å; I211-I474 HydrophobicContact CG2-CG1 3.78Å; I211-A476 HydrophobicContact CB-CB 4.49Å; I211-A476 HydrophobicContact CG2-CB 3.93Å; I211-V494 HydrophobicContact CB-CG1 4.2Å; I211-V494 WeakPolarHBondContact O-CG2 3.48Å; I211-I672 HydrophobicContact CD1-CD1 3.91Å |
| 212 | H | 97.2 | Very high | 97.3 | Very high | 14 Ų | 14 | 19.1 Ų | 19.1 | 7% | 0.065 | 9% | 0.092 | C | C | . | . | trans | -113.2 | 55.6 | 175.3 | -65.3 | -96.7 | 0 | 0 | 0 | 113.9 | Q203 K204 V206 G208 Y209 Y271 S272 | Q203-H212 CarbonylContact C-O 3.59Å; Q203-H212 VanDerWaalsContact CA-O 3.23Å; Q203-H212 WeakPolarHBondContact CA-O 3.32Å; Q203-H212 WeakPolarHBondContact CB-O 3.42Å; K204-H212 HydrophobicContact CB-CB 4.01Å; K204-H212 PolarHBondContact N-O 3.28Å; V206-H212 HydrophobicContact CG2-CB 4.36Å; V206-H212 VanDerWaalsContact CG2-CD2 3.47Å; V206-H212 WeakPolarHBondContact CG2-CD2 3.47Å; G208-H212 PolarHBondContact O-CD2 3.03Å; Y209-H212 PolarHBondContact O-N 2.94Å; H212-Y271 AromaticContact CE1-CE1 3.26Å; H212-Y271 WeakPolarHBondContact CE1-CE1 3.32Å; H212-Y271 AromaticContact CE1-CZ 3.45Å; H212-Y271 VanDerWaalsContact CE1-CZ 3.45Å; H212-Y271 PolarHBondContact CE1-OH 2.96Å; H212-Y271 VanDerWaalsContact CE1-OH 3.3Å; H212-Y271 AromaticContact ND1-CE1 3.79Å; H212-Y271 AromaticContact ND1-CZ 3.79Å; H212-Y271 PolarHBondContact ND1-OH 3.19Å; H212-Y271 AromaticContact NE2-CE1 3.95Å; H212-Y271 AromaticContact NE2-CZ 3.79Å; H212-S272 WeakPolarHBondContact NE2-CB 3.39Å; H212-S272 PolarHBondContact NE2-OG 2.8Å | ||
| 213 | P | 97.6 | Very high | 97.3 | Very high | 7 Ų | 7 | 22.5 Ų | 22.5 | 5% | 0.045 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 143.9 | 177.1 | 31.1 | -35.7 | 0 | 0 | 0 | 111.2 | M201 I211 T477 F478 | M201-P213 HydrophobicContact CE-CB 3.92Å; I211-P213 WeakPolarHBondContact O-CD 3.32Å; P213-T477 VanDerWaalsContact CG-C 3.42Å; P213-T477 WeakPolarHBondContact CG-O 3.43Å; P213-F478 HydrophobicContact CB-CB 4.22Å; P213-F478 HydrophobicContact CG-CB 4.43Å |
| 214 | I | 97.1 | Very high | 97.2 | Very high | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 2.5 | -178 | 67.9 | 161.1 | 0 | 0 | 0 | 114.5 | L164 T168 L181 L202 K204 F216 L262 | L164-I214 HydrophobicContact CD2-CD1 3.73Å; T168-I214 HydrophobicContact CG2-CB 3.96Å; T168-I214 HydrophobicContact CG2-CD1 3.87Å; T168-I214 HydrophobicContact CG2-CG2 3.73Å; L181-I214 HydrophobicContact CD1-CD1 3.98Å; L181-I214 HydrophobicContact CD2-CD1 4.21Å; L181-I214 HydrophobicContact CD2-CG2 4.3Å; L202-I214 HydrophobicContact CB-CD1 3.71Å; L202-I214 HydrophobicContact CB-CG1 3.77Å; L202-I214 HydrophobicContact CD1-CD1 4.37Å; L202-I214 WeakPolarHBondContact O-CG1 3.47Å; L202-I214 PolarHBondContact O-N 3.38Å; L202-I214 VanDerWaalsContact O-N 3.15Å; K204-I214 HydrophobicContact CG-CG2 3.78Å; I214-F216 HydrophobicContact CD1-CB 4.08Å; I214-F216 HydrophobicContact CG1-CB 4.05Å; I214-L262 HydrophobicContact CB-CD1 3.98Å; I214-L262 HydrophobicContact CG2-CD1 4.01Å |
| 215 | G | 96.7 | Very high | 97.2 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 75.7 | 24 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y237 N238 F478 | G215-Y237 VanDerWaalsContact O-CA 3.26Å; G215-Y237 WeakPolarHBondContact O-CA 3.34Å; G215-Y237 VanDerWaalsContact O-CD2 3.28Å; G215-Y237 WeakPolarHBondContact O-CD2 3.35Å; G215-N238 PolarHBondContact O-N 3.43Å; G215-N238 VanDerWaalsContact O-N 3.11Å; G215-F478 VanDerWaalsContact CA-CB 3.46Å |
| 216 | F | 98.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 0% | 0.004 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 120.5 | 175.9 | -173.2 | -81.1 | 0 | 0 | 0 | 109.5 | I156 A160 L163 L164 L202 I214 V218 V235 W236 Y237 L248 | I156-F216 HydrophobicContact CG2-CE1 4.22Å; I156-F216 HydrophobicContact CG2-CZ 4.16Å; A160-F216 HydrophobicContact CB-CE2 4.39Å; A160-F216 HydrophobicContact CB-CZ 4.47Å; L163-F216 HydrophobicContact CD2-CD2 4.26Å; L164-F216 HydrophobicContact CD2-CB 4.3Å; L164-F216 HydrophobicContact CD2-CD1 4.5Å; L164-F216 HydrophobicContact CD2-CD2 3.92Å; L164-F216 HydrophobicContact CD2-CE2 4.33Å; L164-F216 HydrophobicContact CD2-CG 4.01Å; L202-F216 HydrophobicContact CD1-CD1 3.58Å; L202-F216 HydrophobicContact CD1-CE1 3.98Å; L202-F216 HydrophobicContact CD1-CG 4.37Å; L202-F216 HydrophobicContact CG-CD1 3.9Å; L202-F216 PolarHBondContact N-O 2.87Å; I214-F216 HydrophobicContact CD1-CB 4.08Å; I214-F216 HydrophobicContact CG1-CB 4.05Å; F216-V218 HydrophobicContact CD1-CG1 4.18Å; F216-V218 HydrophobicContact CE1-CG1 3.38Å; F216-V218 HydrophobicContact CZ-CG1 3.92Å; F216-V235 HydrophobicContact CE2-CG1 4.02Å; F216-V235 HydrophobicContact CZ-CG1 3.98Å; F216-W236 WeakPolarHBondContact CA-O 3.34Å; F216-Y237 HydrophobicContact CB-CD2 4.21Å; F216-Y237 AromaticContact CD2-CD2 3.97Å; F216-Y237 HydrophobicContact CD2-CD2 3.97Å; F216-L248 HydrophobicContact CD2-CD2 4.05Å; F216-L248 HydrophobicContact CE2-CD2 3.51Å; F216-L248 HydrophobicContact CZ-CD2 4.48Å |
| 217 | E | 98.7 | Very high | 97.4 | Very high | 3 Ų | 3 | 22.7 Ų | 22.7 | 1% | 0.014 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 144.4 | 178.7 | -51.1 | -178.8 | 177.8 | 0 | 0 | 110.2 | W199 I200 M201 W236 T352 P353 A354 | W199-E217 HydrophobicContact CE3-CB 3.91Å; W199-E217 HydrophobicContact CZ3-CB 4.03Å; I200-E217 CarbonylContact O-C 3.54Å; I200-E217 WeakPolarHBondContact O-CA 3.28Å; M201-E217 HydrophobicContact CB-CG 3.84Å; E217-W236 HydrophobicContact CB-CB 4.31Å; E217-W236 HydrophobicContact CB-CE3 4.35Å; E217-W236 HydrophobicContact CG-CE3 3.89Å; E217-W236 HydrophobicContact CG-CZ3 4.39Å; E217-W236 PolarHBondContact N-O 3.29Å; E217-W236 PolarHBondContact O-N 2.95Å; E217-T352 WeakPolarHBondContact OE1-CB 3.3Å; E217-T352 PolarHBondContact OE1-OG1 2.78Å; E217-P353 VanDerWaalsContact OE2-CD 3.26Å; E217-P353 WeakPolarHBondContact OE2-CD 3.42Å; E217-A354 VanDerWaalsContact CD-CB 3.43Å; E217-A354 HydrophobicContact CG-CB 4.5Å; E217-A354 WeakPolarHBondContact OE1-CB 3.32Å; E217-A354 WeakPolarHBondContact OE2-CB 3.42Å; E217-A354 PolarHBondContact OE2-N 2.75Å |
| 218 | V | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 138.2 | 179 | -67 | 0 | 0 | 0 | 0 | 111 | L153 I156 W199 I200 F216 V220 V232 V235 | L153-V218 HydrophobicContact CD2-CG2 3.93Å; I156-V218 HydrophobicContact CD1-CG2 4.44Å; I156-V218 HydrophobicContact CG2-CG1 4.46Å; W199-V218 CarbonylContact C-O 3.56Å; W199-V218 WeakPolarHBondContact CA-O 3.39Å; W199-V218 VanDerWaalsContact CE3-C 3.47Å; I200-V218 HydrophobicContact CB-CG2 4.04Å; I200-V218 PolarHBondContact N-O 3.29Å; I200-V218 PolarHBondContact O-N 3.25Å; F216-V218 HydrophobicContact CD1-CG1 4.18Å; F216-V218 HydrophobicContact CE1-CG1 3.38Å; F216-V218 HydrophobicContact CZ-CG1 3.92Å; V218-V220 HydrophobicContact CG2-CG2 4.17Å; V218-V232 HydrophobicContact CB-CG1 4.45Å; V218-V235 HydrophobicContact CG1-CB 4.48Å; V218-V235 HydrophobicContact CG1-CG1 4.08Å; V218-V235 HydrophobicContact CG1-CG2 4.13Å |
| 219 | L | 98.8 | Very high | 97.6 | Very high | 18 Ų | 18 | 30.4 Ų | 30.4 | 9% | 0.094 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 111.1 | 172.6 | -179.8 | 59.2 | 0 | 0 | 0 | 109 | R197 W199 V232 E233 K234 | R197-L219 HydrophobicContact CB-CD1 4.09Å; W199-L219 HydrophobicContact CD2-CB 3.93Å; W199-L219 HydrophobicContact CD2-CD1 4.25Å; W199-L219 HydrophobicContact CE3-CB 4.04Å; W199-L219 HydrophobicContact CG-CD1 4.1Å; W199-L219 HydrophobicContact CH2-CB 4.04Å; W199-L219 HydrophobicContact CZ2-CB 3.91Å; W199-L219 HydrophobicContact CZ2-CD2 4.3Å; W199-L219 HydrophobicContact CZ3-CB 4.1Å; L219-V232 CarbonylContact O-C 3.33Å; L219-V232 WeakPolarHBondContact O-CA 3.39Å; L219-E233 HydrophobicContact CD2-CB 4.08Å; L219-E233 HydrophobicContact CG-CB 4.22Å; L219-E233 PolarHBondContact O-N 2.71Å; L219-K234 HydrophobicContact CB-CB 4.03Å; L219-K234 HydrophobicContact CD2-CB 4.44Å; L219-K234 PolarHBondContact N-O 3.45Å |
| 220 | V | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 126.7 | 179.4 | 174.2 | 0 | 0 | 0 | 0 | 110.1 | L152 R197 T198 I200 V218 H222 T231 | L152-V220 HydrophobicContact CD2-CB 4.42Å; L152-V220 HydrophobicContact CD2-CG1 3.51Å; L152-V220 HydrophobicContact CD2-CG2 3.99Å; R197-V220 CarbonylContact C-O 3.59Å; R197-V220 VanDerWaalsContact CA-O 3.28Å; R197-V220 WeakPolarHBondContact CA-O 3.38Å; T198-V220 PolarHBondContact N-O 3.21Å; T198-V220 PolarHBondContact O-N 3.1Å; I200-V220 HydrophobicContact CD1-CB 4.23Å; I200-V220 HydrophobicContact CD1-CG2 3.9Å; V218-V220 HydrophobicContact CG2-CG2 4.17Å; V220-H222 HydrophobicContact CG1-CB 4.3Å; V220-T231 WeakPolarHBondContact CA-O 3.5Å |
| 221 | N | 98.6 | Very high | 97.7 | Very high | 34 Ų | 34 | 31.1 Ų | 31.1 | 18% | 0.182 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 110 | 166.6 | -172.3 | -22.4 | 0 | 0 | 0 | 109.6 | R197 Q223 W230 T231 E233 | R197-N221 HydrophobicContact CG-CB 4.09Å; N221-Q223 VanDerWaalsContact OD1-CB 3.29Å; N221-Q223 WeakPolarHBondContact OD1-CB 3.36Å; N221-Q223 PolarHBondContact OD1-N 3.12Å; N221-Q223 VanDerWaalsContact OD1-N 3.16Å; N221-W230 VanDerWaalsContact O-CA 3.32Å; N221-W230 WeakPolarHBondContact O-CA 3.45Å; N221-W230 WeakPolarHBondContact O-CB 3.2Å; N221-T231 PolarHBondContact N-O 2.95Å; N221-T231 PolarHBondContact O-N 2.95Å; N221-E233 HydrophobicContact CB-CG 4.1Å; N221-E233 WeakPolarHBondContact CB-OE1 3.38Å; N221-E233 PolarHBondContact ND2-OE1 2.76Å |
| 222 | H | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -117.9 | 30.4 | -178.7 | 60.1 | 97.4 | 0 | 0 | 0 | 111.9 | E145 R196 T198 V220 W230 | E145-H222 IonicContact OE1-CE1 3.39Å; E145-H222 IonicContact OE1-ND1 3.33Å; E145-H222 PolarHBondContact OE1-ND1 2.81Å; R196-H222 VanDerWaalsContact CG-CE1 3.42Å; R196-H222 WeakPolarHBondContact CG-CE1 3.41Å; R196-H222 PolarHBondContact NE-CE1 3.34Å; R196-H222 PolarHBondContact NE-ND1 3.27Å; R196-H222 PolarHBondContact O-N 2.79Å; T198-H222 WeakPolarHBondContact CB-NE2 3.19Å; T198-H222 PolarHBondContact OG1-NE2 2.81Å; V220-H222 HydrophobicContact CG1-CB 4.3Å; H222-W230 HydrophobicContact CB-CD2 3.63Å; H222-W230 HydrophobicContact CB-CE3 3.94Å; H222-W230 HydrophobicContact CB-CG 4.13Å; H222-W230 HydrophobicContact CB-CH2 4Å; H222-W230 HydrophobicContact CB-CZ2 3.71Å; H222-W230 HydrophobicContact CB-CZ3 4.1Å | ||
| 223 | Q | 97.3 | Very high | 97.7 | Very high | 75 Ų | 75 | 35.1 Ų | 35.1 | 35% | 0.35 | 18% | 0.178 | S | C | . | . | trans | -71.5 | -39.5 | -178 | -173.8 | 174.1 | -26.1 | 0 | 0 | 113.5 | E137 G194 R196 N221 | E137-Q223 HydrophobicContact CG-CG 4.12Å; G194-Q223 PolarHBondContact O-NE2 2.95Å; G194-Q223 PolarHBondContact O-OE1 3.48Å; R196-Q223 HydrophobicContact CB-CB 3.95Å; R196-Q223 HydrophobicContact CB-CG 4.22Å; R196-Q223 PolarHBondContact O-N 3.31Å; N221-Q223 VanDerWaalsContact OD1-CB 3.29Å; N221-Q223 WeakPolarHBondContact OD1-CB 3.36Å; N221-Q223 PolarHBondContact OD1-N 3.12Å; N221-Q223 VanDerWaalsContact OD1-N 3.16Å | ||
| 224 | D | 97 | Very high | 97.8 | Very high | 60 Ų | 60 | 38.2 Ų | 38.2 | 32% | 0.321 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -67.6 | 140.8 | 178 | -161.5 | -54.6 | 0 | 0 | 0 | 109.9 | D226 K229 W230 | D224-D226 PolarHBondContact O-N 3.36Å; D224-D226 VanDerWaalsContact OD1-CB 3.29Å; D224-D226 WeakPolarHBondContact OD1-CB 3.29Å; D224-D226 PolarHBondContact OD1-N 2.86Å; D224-K229 HydrophobicContact CB-CB 4.24Å; D224-K229 HydrophobicContact CB-CD 4.34Å; D224-K229 IonicContact OD1-NZ 3.46Å; D224-K229 WeakPolarHBondContact OD2-CD 3.46Å; D224-K229 IonicContact OD2-NZ 3.99Å; D224-K229 PolarHBondContact OD2-NZ 3.15Å; D224-W230 PolarHBondContact O-NE1 3.05Å |
| 225 | L | 96.1 | Very high | 97.9 | Very high | 15 Ų | 15 | 38.1 Ų | 38.1 | 8% | 0.079 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -72.5 | -5.7 | 176 | -76 | 178.8 | 0 | 0 | 0 | 113.3 | L62 K63 G102 P107 F136 P227 | L62-L225 HydrophobicContact CB-CD2 3.8Å; K63-L225 HydrophobicContact CD-CB 4.48Å; K63-L225 HydrophobicContact CG-CB 3.61Å; K63-L225 HydrophobicContact CG-CD1 4.24Å; G102-L225 WeakPolarHBondContact O-CD1 3.28Å; P107-L225 HydrophobicContact CB-CD1 4.11Å; P107-L225 HydrophobicContact CG-CD1 3.56Å; F136-L225 HydrophobicContact CE1-CD1 3.98Å; F136-L225 HydrophobicContact CE1-CD2 3.53Å; F136-L225 HydrophobicContact CE1-CG 4.04Å; F136-L225 HydrophobicContact CZ-CD1 4.34Å; F136-L225 HydrophobicContact CZ-CD2 4Å; L225-P227 WeakPolarHBondContact O-CD 3.37Å |
| 226 | D | 96.7 | Very high | 98 | Very high | 52 Ų | 52 | 38.2 Ų | 38.2 | 28% | 0.278 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -100.2 | 104.4 | 171.7 | -166.4 | -11.3 | 0 | 0 | 0 | 110.3 | K63 D224 E228 K229 | K63-D226 IonicContact NZ-OD2 2.71Å; D224-D226 PolarHBondContact O-N 3.36Å; D224-D226 VanDerWaalsContact OD1-CB 3.29Å; D224-D226 WeakPolarHBondContact OD1-CB 3.29Å; D224-D226 PolarHBondContact OD1-N 2.86Å; D226-E228 PolarHBondContact O-N 3.46Å; D226-E228 VanDerWaalsContact O-N 3.1Å; D226-E228 PolarHBondContact OD1-N 3.06Å; D226-K229 HydrophobicContact CB-CD 4.12Å; D226-K229 HydrophobicContact CB-CG 4.26Å; D226-K229 PolarHBondContact O-N 3.31Å |
| 227 | P | 97.1 | Very high | 97.9 | Very high | 25 Ų | 25 | 38.2 Ų | 38.2 | 16% | 0.162 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -57.1 | -25.3 | -178.1 | -27 | 36 | 0 | 0 | 0 | 115 | L62 H148 L225 K229 W230 | L62-P227 HydrophobicContact CD1-CG 4.07Å; L62-P227 HydrophobicContact CG-CG 4.49Å; H148-P227 HydrophobicContact CB-CB 3.97Å; H148-P227 HydrophobicContact CB-CG 4.01Å; H148-P227 VanDerWaalsContact CG-CG 3.43Å; L225-P227 WeakPolarHBondContact O-CD 3.37Å; P227-K229 PolarHBondContact O-N 2.91Å; P227-W230 HydrophobicContact CB-CD2 4.13Å; P227-W230 HydrophobicContact CB-CE3 4.32Å; P227-W230 HydrophobicContact CB-CH2 4.47Å; P227-W230 HydrophobicContact CB-CZ2 4.28Å; P227-W230 HydrophobicContact CB-CZ3 4.48Å; P227-W230 HydrophobicContact CG-CZ2 4.19Å; P227-W230 WeakPolarHBondContact O-CB 3.35Å; P227-W230 PolarHBondContact O-N 3.16Å; P227-W230 VanDerWaalsContact O-N 3.16Å |
| 228 | E | 96.8 | Very high | 97.7 | Very high | 143 Ų | 143 | 39.2 Ų | 39.2 | 67% | 0.668 | 20% | 0.195 | S | C | * | . | G | 310 helix | trans | -70.9 | -10.9 | 178 | -67.7 | -60.1 | 132.6 | 0 | 0 | 113.3 | K155 D226 | K155-E228 IonicContact NZ-OE1 3.77Å; K155-E228 PolarHBondContact NZ-OE1 2.81Å; K155-E228 IonicContact NZ-OE2 2.78Å; K155-E228 PolarHBondContact NZ-OE2 3.4Å; D226-E228 PolarHBondContact O-N 3.46Å; D226-E228 VanDerWaalsContact O-N 3.1Å; D226-E228 PolarHBondContact OD1-N 3.06Å |
| 229 | K | 97.8 | Very high | 97.5 | Very high | 118 Ų | 118 | 41.8 Ų | 41.8 | 51% | 0.513 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -99.1 | 0.5 | 174.1 | -62.1 | 179.2 | -174.1 | 176.3 | 0 | 113.6 | D224 D226 P227 | D224-K229 HydrophobicContact CB-CB 4.24Å; D224-K229 HydrophobicContact CB-CD 4.34Å; D224-K229 IonicContact OD1-NZ 3.46Å; D224-K229 WeakPolarHBondContact OD2-CD 3.46Å; D224-K229 IonicContact OD2-NZ 3.99Å; D224-K229 PolarHBondContact OD2-NZ 3.15Å; D226-K229 HydrophobicContact CB-CD 4.12Å; D226-K229 HydrophobicContact CB-CG 4.26Å; D226-K229 PolarHBondContact O-N 3.31Å; P227-K229 PolarHBondContact O-N 2.91Å |
| 230 | W | 98.4 | Very high | 97.4 | Very high | 16 Ų | 16 | 44.8 Ų | 44.8 | 6% | 0.061 | 23% | 0.228 | C | C | . | . | trans | -67.6 | 144.4 | 177.4 | -64.8 | -2.1 | 0 | 0 | 0 | 110.4 | L62 E145 H148 I149 L152 N221 H222 D224 P227 | L62-W230 HydrophobicContact CD1-CH2 4Å; L62-W230 HydrophobicContact CD1-CZ2 3.43Å; L62-W230 VanDerWaalsContact CD1-CZ2 3.43Å; E145-W230 HydrophobicContact CG-CH2 4.02Å; E145-W230 HydrophobicContact CG-CZ2 4.42Å; H148-W230 HydrophobicContact CB-CE3 4.4Å; H148-W230 HydrophobicContact CB-CH2 3.45Å; H148-W230 VanDerWaalsContact CB-CH2 3.45Å; H148-W230 HydrophobicContact CB-CZ2 4.42Å; H148-W230 HydrophobicContact CB-CZ3 3.43Å; H148-W230 VanDerWaalsContact CB-CZ3 3.43Å; I149-W230 HydrophobicContact CG1-CH2 4.23Å; I149-W230 HydrophobicContact CG1-CZ3 3.68Å; L152-W230 HydrophobicContact CD2-CB 4.22Å; L152-W230 HydrophobicContact CD2-CE3 4.38Å; N221-W230 VanDerWaalsContact O-CA 3.32Å; N221-W230 WeakPolarHBondContact O-CA 3.45Å; N221-W230 WeakPolarHBondContact O-CB 3.2Å; H222-W230 HydrophobicContact CB-CD2 3.63Å; H222-W230 HydrophobicContact CB-CE3 3.94Å; H222-W230 HydrophobicContact CB-CG 4.13Å; H222-W230 HydrophobicContact CB-CH2 4Å; H222-W230 HydrophobicContact CB-CZ2 3.71Å; H222-W230 HydrophobicContact CB-CZ3 4.1Å; D224-W230 PolarHBondContact O-NE1 3.05Å; P227-W230 HydrophobicContact CB-CD2 4.13Å; P227-W230 HydrophobicContact CB-CE3 4.32Å; P227-W230 HydrophobicContact CB-CH2 4.47Å; P227-W230 HydrophobicContact CB-CZ2 4.28Å; P227-W230 HydrophobicContact CB-CZ3 4.48Å; P227-W230 HydrophobicContact CG-CZ2 4.19Å; P227-W230 WeakPolarHBondContact O-CB 3.35Å; P227-W230 PolarHBondContact O-N 3.16Å; P227-W230 VanDerWaalsContact O-N 3.16Å | ||
| 231 | T | 97.9 | Very high | 97.4 | Very high | 69 Ų | 69 | 50.2 Ų | 50.2 | 42% | 0.423 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 149.3 | -175.3 | 57.4 | 0 | 0 | 0 | 0 | 111.3 | V220 N221 | V220-T231 WeakPolarHBondContact CA-O 3.5Å; N221-T231 PolarHBondContact N-O 2.95Å; N221-T231 PolarHBondContact O-N 2.95Å |
| 232 | V | 98.3 | Very high | 97.4 | Very high | 39 Ų | 39 | 48.7 Ų | 48.7 | 24% | 0.236 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 117.9 | 163.5 | -179.9 | 0 | 0 | 0 | 0 | 107.1 | I156 V218 L219 V235 V245 | I156-V232 HydrophobicContact CD1-CG2 3.44Å; I156-V232 VanDerWaalsContact CD1-CG2 3.44Å; I156-V232 HydrophobicContact CG1-CG2 3.95Å; V218-V232 HydrophobicContact CB-CG1 4.45Å; L219-V232 CarbonylContact O-C 3.33Å; L219-V232 WeakPolarHBondContact O-CA 3.39Å; V232-V235 HydrophobicContact CG1-CG2 3.9Å; V232-V245 HydrophobicContact CG1-CG2 4.37Å |
| 233 | E | 98.1 | Very high | 97.4 | Very high | 58 Ų | 58 | 53.7 Ų | 53.7 | 27% | 0.271 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | -28.9 | -178.4 | -65.7 | -170.5 | 172.7 | 0 | 0 | 112.6 | R197 L219 N221 | R197-E233 WeakPolarHBondContact CD-OE1 3.37Å; R197-E233 VanDerWaalsContact CD-OE2 3.3Å; R197-E233 WeakPolarHBondContact CD-OE2 3.33Å; R197-E233 IonicContact CZ-OE2 3.73Å; R197-E233 IonicContact NE-OE2 2.71Å; R197-E233 IonicContact NH1-OE2 3.51Å; R197-E233 PolarHBondContact NH1-OE2 3Å; L219-E233 HydrophobicContact CD2-CB 4.08Å; L219-E233 HydrophobicContact CG-CB 4.22Å; L219-E233 PolarHBondContact O-N 2.71Å; N221-E233 HydrophobicContact CB-CG 4.1Å; N221-E233 WeakPolarHBondContact CB-OE1 3.38Å; N221-E233 PolarHBondContact ND2-OE1 2.76Å |
| 234 | K | 98.5 | Very high | 97.4 | Very high | 73 Ų | 73 | 51.7 Ų | 51.7 | 32% | 0.317 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 152.6 | 178.6 | -74.4 | -60.8 | -179.7 | 171 | 0 | 111.3 | W199 L219 F242 D243 | W199-K234 HydrophobicContact CH2-CB 3.8Å; W199-K234 HydrophobicContact CZ2-CB 4.18Å; L219-K234 HydrophobicContact CB-CB 4.03Å; L219-K234 HydrophobicContact CD2-CB 4.44Å; L219-K234 PolarHBondContact N-O 3.45Å; K234-F242 WeakPolarHBondContact CD-O 3.48Å; K234-D243 IonicContact NZ-OD1 3.54Å; K234-D243 PolarHBondContact NZ-OD1 2.84Å |
| 235 | V | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 140.4 | 167.7 | -173.2 | 0 | 0 | 0 | 0 | 108.4 | F216 V218 V232 Y241 F242 V245 L248 | F216-V235 HydrophobicContact CE2-CG1 4.02Å; F216-V235 HydrophobicContact CZ-CG1 3.98Å; V218-V235 HydrophobicContact CG1-CB 4.48Å; V218-V235 HydrophobicContact CG1-CG1 4.08Å; V218-V235 HydrophobicContact CG1-CG2 4.13Å; V232-V235 HydrophobicContact CG1-CG2 3.9Å; V235-Y241 CarbonylContact O-C 3.54Å; V235-Y241 WeakPolarHBondContact O-CA 3.42Å; V235-F242 HydrophobicContact CB-CB 4.29Å; V235-F242 PolarHBondContact N-O 2.81Å; V235-F242 PolarHBondContact O-N 2.88Å; V235-V245 HydrophobicContact CG2-CG2 3.81Å; V235-L248 HydrophobicContact CG1-CD2 3.68Å |
| 236 | W | 98.6 | Very high | 97.5 | Very high | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.015 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 128.6 | 170.7 | -178.8 | 94.8 | 0 | 0 | 0 | 109 | W199 F216 E217 S239 M240 Y241 T352 P353 F478 T480 | W199-W236 HydrophobicContact CH2-CB 4.2Å; W199-W236 HydrophobicContact CZ3-CB 4.05Å; F216-W236 WeakPolarHBondContact CA-O 3.34Å; E217-W236 HydrophobicContact CB-CB 4.31Å; E217-W236 HydrophobicContact CB-CE3 4.35Å; E217-W236 HydrophobicContact CG-CE3 3.89Å; E217-W236 HydrophobicContact CG-CZ3 4.39Å; E217-W236 PolarHBondContact N-O 3.29Å; E217-W236 PolarHBondContact O-N 2.95Å; W236-S239 VanDerWaalsContact CZ2-CA 3.47Å; W236-M240 CarbonylContact C-O 3.55Å; W236-M240 VanDerWaalsContact CA-O 3.29Å; W236-M240 WeakPolarHBondContact CA-O 3.35Å; W236-Y241 HydrophobicContact CB-CD1 4.4Å; W236-Y241 HydrophobicContact CB-CE1 4.48Å; W236-Y241 AromaticContact CD1-CE1 3.86Å; W236-Y241 AromaticContact CD1-CE2 3.88Å; W236-Y241 AromaticContact CD1-CZ 3.78Å; W236-T352 HydrophobicContact CH2-CG2 3.53Å; W236-T352 HydrophobicContact CZ2-CG2 3.84Å; W236-T352 HydrophobicContact CZ3-CG2 4.03Å; W236-P353 HydrophobicContact CB-CG 3.7Å; W236-P353 HydrophobicContact CD2-CG 4.32Å; W236-P353 HydrophobicContact CG-CG 3.61Å; W236-F478 HydrophobicContact CH2-CB 4.48Å; W236-F478 HydrophobicContact CH2-CD1 4.28Å; W236-F478 HydrophobicContact CZ3-CB 4.46Å; W236-T480 HydrophobicContact CH2-CG2 4.07Å; W236-T480 HydrophobicContact CZ2-CG2 4.08Å |
| 237 | Y | 98 | Very high | 97.6 | Very high | 1 Ų | 1 | 53 Ų | 53 | 0% | 0.004 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 124 | 176.9 | 177.6 | -100.9 | 0 | 0 | 0 | 110.2 | L163 T167 G215 F216 S239 M240 L248 V257 L260 | L163-Y237 HydrophobicContact CD2-CD2 4.2Å; L163-Y237 HydrophobicContact CD2-CE2 3.78Å; T167-Y237 HydrophobicContact CG2-CE2 4.24Å; T167-Y237 PolarHBondContact OG1-OH 3.43Å; G215-Y237 VanDerWaalsContact O-CA 3.26Å; G215-Y237 WeakPolarHBondContact O-CA 3.34Å; G215-Y237 VanDerWaalsContact O-CD2 3.28Å; G215-Y237 WeakPolarHBondContact O-CD2 3.35Å; F216-Y237 HydrophobicContact CB-CD2 4.21Å; F216-Y237 AromaticContact CD2-CD2 3.97Å; F216-Y237 HydrophobicContact CD2-CD2 3.97Å; Y237-S239 PolarHBondContact O-N 2.85Å; Y237-M240 PolarHBondContact N-O 2.64Å; Y237-M240 WeakPolarHBondContact O-CB 3.28Å; Y237-M240 PolarHBondContact O-N 3.31Å; Y237-L248 HydrophobicContact CD1-CD1 3.95Å; Y237-L248 HydrophobicContact CG-CD1 4.15Å; Y237-L248 HydrophobicContact CG-CD2 4.31Å; Y237-V257 HydrophobicContact CD1-CG1 3.76Å; Y237-V257 HydrophobicContact CE1-CG1 3.78Å; Y237-L260 HydrophobicContact CE2-CD1 4.48Å |
| 238 | N | 93.2 | Very high | 97.7 | Very high | 23 Ų | 23 | 51.8 Ų | 51.8 | 12% | 0.123 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 44.5 | 58 | 176.7 | -168.9 | 29.4 | 0 | 0 | 0 | 114.5 | G215 M240 E258 L260 | G215-N238 PolarHBondContact O-N 3.43Å; G215-N238 VanDerWaalsContact O-N 3.11Å; N238-M240 PolarHBondContact O-N 3.44Å; N238-E258 PolarHBondContact ND2-OE2 3.23Å; N238-L260 HydrophobicContact CB-CD1 3.51Å; N238-L260 HydrophobicContact CB-CG 4.04Å; N238-L260 VanDerWaalsContact CG-CD1 3.42Å; N238-L260 WeakPolarHBondContact ND2-CD2 3.48Å; N238-L260 WeakPolarHBondContact ND2-CG 3.32Å |
| 239 | S | 94.8 | Very high | 97.7 | Very high | 54 Ų | 54 | 46.4 Ų | 46.4 | 38% | 0.378 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70 | 8 | -179.7 | -39.2 | 0 | 0 | 0 | 0 | 116 | W236 Y237 T480 | W236-S239 VanDerWaalsContact CZ2-CA 3.47Å; Y237-S239 PolarHBondContact O-N 2.85Å; S239-T480 VanDerWaalsContact OG-CG2 3.23Å; S239-T480 WeakPolarHBondContact OG-CG2 3.33Å |
| 240 | M | 96.7 | Very high | 97.7 | Very high | 81 Ų | 81 | 46.7 Ų | 46.7 | 40% | 0.399 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 144.7 | 177.9 | -61.7 | -178.2 | 69.3 | 0 | 0 | 111.6 | W236 Y237 N238 F242 V257 | W236-M240 CarbonylContact C-O 3.55Å; W236-M240 VanDerWaalsContact CA-O 3.29Å; W236-M240 WeakPolarHBondContact CA-O 3.35Å; Y237-M240 PolarHBondContact N-O 2.64Å; Y237-M240 WeakPolarHBondContact O-CB 3.28Å; Y237-M240 PolarHBondContact O-N 3.31Å; N238-M240 PolarHBondContact O-N 3.44Å; M240-F242 HydrophobicContact CB-CE2 3.61Å; M240-F242 HydrophobicContact CB-CZ 3.76Å; M240-F242 HydrophobicContact CE-CZ 4.27Å; M240-F242 HydrophobicContact SD-CZ 4.42Å; M240-V257 HydrophobicContact SD-CG1 4.47Å |
| 241 | Y | 98.3 | Very high | 97.7 | Very high | 115 Ų | 115 | 49 Ų | 49 | 45% | 0.451 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 146.4 | 173.2 | -70.3 | -90.1 | 0 | 0 | 0 | 111.1 | W199 V235 W236 P353 | W199-Y241 HydrophobicContact CH2-CE1 4.22Å; W199-Y241 HydrophobicContact CZ2-CE1 4.33Å; V235-Y241 CarbonylContact O-C 3.54Å; V235-Y241 WeakPolarHBondContact O-CA 3.42Å; W236-Y241 HydrophobicContact CB-CD1 4.4Å; W236-Y241 HydrophobicContact CB-CE1 4.48Å; W236-Y241 AromaticContact CD1-CE1 3.86Å; W236-Y241 AromaticContact CD1-CE2 3.88Å; W236-Y241 AromaticContact CD1-CZ 3.78Å; Y241-P353 HydrophobicContact CE1-CB 4.4Å; Y241-P353 HydrophobicContact CE1-CG 3.59Å; Y241-P353 WeakPolarHBondContact OH-CG 3.41Å |
| 242 | F | 98.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.009 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 149.7 | 175.4 | -52.8 | -95.6 | 0 | 0 | 0 | 108.9 | K234 V235 M240 S244 E247 L248 K251 V257 | K234-F242 WeakPolarHBondContact CD-O 3.48Å; V235-F242 HydrophobicContact CB-CB 4.29Å; V235-F242 PolarHBondContact N-O 2.81Å; V235-F242 PolarHBondContact O-N 2.88Å; M240-F242 HydrophobicContact CB-CE2 3.61Å; M240-F242 HydrophobicContact CB-CZ 3.76Å; M240-F242 HydrophobicContact CE-CZ 4.27Å; M240-F242 HydrophobicContact SD-CZ 4.42Å; F242-S244 VanDerWaalsContact C-N 3.3Å; F242-E247 HydrophobicContact CD1-CG 4.32Å; F242-L248 HydrophobicContact CB-CB 4.21Å; F242-L248 HydrophobicContact CD1-CB 3.99Å; F242-L248 HydrophobicContact CD1-CD1 4.33Å; F242-L248 HydrophobicContact CD2-CB 4.1Å; F242-L248 HydrophobicContact CD2-CD1 3.94Å; F242-L248 HydrophobicContact CD2-CG 4.41Å; F242-L248 HydrophobicContact CE1-CB 4.42Å; F242-L248 HydrophobicContact CE1-CD1 3.94Å; F242-L248 HydrophobicContact CE2-CD1 3.57Å; F242-L248 HydrophobicContact CE2-CG 4.5Å; F242-L248 HydrophobicContact CG-CB 3.82Å; F242-L248 HydrophobicContact CG-CD1 4.33Å; F242-L248 HydrophobicContact CZ-CD1 3.56Å; F242-K251 HydrophobicContact CD1-CD 4.11Å; F242-K251 HydrophobicContact CE1-CB 4.44Å; F242-K251 HydrophobicContact CE1-CD 3.8Å; F242-V257 HydrophobicContact CE1-CG2 3.86Å; F242-V257 HydrophobicContact CZ-CG1 4.48Å; F242-V257 HydrophobicContact CZ-CG2 3.71Å |
| 243 | D | 97.8 | Very high | 97.5 | Very high | 104 Ų | 104 | 49.6 Ų | 49.6 | 56% | 0.556 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -76.3 | -20.5 | 178.4 | -71.3 | -30.5 | 0 | 0 | 0 | 112 | K234 E247 | K234-D243 IonicContact NZ-OD1 3.54Å; K234-D243 PolarHBondContact NZ-OD1 2.84Å; D243-E247 WeakPolarHBondContact CB-OE2 3.34Å; D243-E247 PolarHBondContact N-OE2 3.21Å |
| 244 | S | 98 | Very high | 97.4 | Very high | 34 Ų | 34 | 52.1 Ų | 52.1 | 24% | 0.238 | 26% | 0.257 | C | S | . | . | trans | -157.4 | 168.5 | -177.2 | 65.3 | 0 | 0 | 0 | 0 | 112.4 | F242 E246 E247 L248 | F242-S244 VanDerWaalsContact C-N 3.3Å; S244-E246 VanDerWaalsContact C-N 3.34Å; S244-E246 VanDerWaalsContact CB-OE2 3.28Å; S244-E246 WeakPolarHBondContact CB-OE2 3.01Å; S244-E247 WeakPolarHBondContact OG-CB 3.48Å; S244-E247 PolarHBondContact OG-N 3.07Å; S244-E247 VanDerWaalsContact OG-N 3.14Å; S244-L248 PolarHBondContact O-N 2.97Å | ||
| 245 | V | 98 | Very high | 97.2 | Very high | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.024 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.9 | -37.2 | 175.1 | -177.9 | 0 | 0 | 0 | 0 | 109.8 | I156 Q159 A160 V232 V235 E247 L248 V249 | I156-V245 HydrophobicContact CG1-CG2 4.35Å; I156-V245 HydrophobicContact CG2-CG1 4.33Å; I156-V245 HydrophobicContact CG2-CG2 3.83Å; Q159-V245 HydrophobicContact CB-CG1 4.25Å; Q159-V245 HydrophobicContact CG-CG1 3.98Å; A160-V245 HydrophobicContact CB-CG1 4.04Å; V232-V245 HydrophobicContact CG1-CG2 4.37Å; V235-V245 HydrophobicContact CG2-CG2 3.81Å; V245-E247 PolarHBondContact O-N 3.09Å; V245-L248 PolarHBondContact O-N 2.9Å; V245-V249 HydrophobicContact CG1-CG2 4.4Å; V245-V249 WeakPolarHBondContact O-CG2 3.47Å; V245-V249 PolarHBondContact O-N 2.02Å |
| 246 | E | 98 | Very high | 97 | Very high | 105 Ų | 105 | 57.1 Ų | 57.1 | 49% | 0.491 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -53.6 | -52.4 | 174.7 | -66.9 | 67.4 | -161.3 | 0 | 0 | 111.3 | Q159 S244 L248 V249 E250 | Q159-E246 PolarHBondContact NE2-OE1 3.44Å; Q159-E246 PolarHBondContact OE1-OE1 3.17Å; S244-E246 VanDerWaalsContact C-N 3.34Å; S244-E246 VanDerWaalsContact CB-OE2 3.28Å; S244-E246 WeakPolarHBondContact CB-OE2 3.01Å; E246-L248 VanDerWaalsContact C-N 3.34Å; E246-L248 PolarHBondContact O-N 2.89Å; E246-V249 PolarHBondContact O-N 2.58Å; E246-E250 WeakPolarHBondContact O-CB 3.46Å; E246-E250 PolarHBondContact O-N 2.9Å |
| 247 | E | 98.1 | Very high | 96.8 | Very high | 45 Ų | 45 | 57.1 Ų | 57.1 | 21% | 0.21 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.1 | -43.9 | -178.4 | -173.7 | -161.1 | 166.2 | 0 | 0 | 111.4 | F242 D243 S244 V245 E250 K251 | F242-E247 HydrophobicContact CD1-CG 4.32Å; D243-E247 WeakPolarHBondContact CB-OE2 3.34Å; D243-E247 PolarHBondContact N-OE2 3.21Å; S244-E247 WeakPolarHBondContact OG-CB 3.48Å; S244-E247 PolarHBondContact OG-N 3.07Å; S244-E247 VanDerWaalsContact OG-N 3.14Å; V245-E247 PolarHBondContact O-N 3.09Å; E247-E250 PolarHBondContact O-N 2.8Å; E247-K251 HydrophobicContact CG-CD 4.23Å; E247-K251 WeakPolarHBondContact O-CB 3.46Å; E247-K251 WeakPolarHBondContact O-CG 3.29Å; E247-K251 PolarHBondContact O-N 2.92Å; E247-K251 WeakPolarHBondContact OE1-CE 3.46Å; E247-K251 IonicContact OE1-NZ 3.97Å; E247-K251 PolarHBondContact OE1-NZ 2.92Å |
| 248 | L | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.8 | -46.9 | 176.8 | 168.8 | 60.2 | 0 | 0 | 0 | 111.1 | L163 F216 V235 Y237 F242 S244 V245 E246 K251 Y252 V257 | L163-L248 HydrophobicContact CD1-CD1 3.81Å; L163-L248 HydrophobicContact CD1-CD2 3.94Å; L163-L248 HydrophobicContact CD1-CG 3.68Å; F216-L248 HydrophobicContact CD2-CD2 4.05Å; F216-L248 HydrophobicContact CE2-CD2 3.51Å; F216-L248 HydrophobicContact CZ-CD2 4.48Å; V235-L248 HydrophobicContact CG1-CD2 3.68Å; Y237-L248 HydrophobicContact CD1-CD1 3.95Å; Y237-L248 HydrophobicContact CG-CD1 4.15Å; Y237-L248 HydrophobicContact CG-CD2 4.31Å; F242-L248 HydrophobicContact CB-CB 4.21Å; F242-L248 HydrophobicContact CD1-CB 3.99Å; F242-L248 HydrophobicContact CD1-CD1 4.33Å; F242-L248 HydrophobicContact CD2-CB 4.1Å; F242-L248 HydrophobicContact CD2-CD1 3.94Å; F242-L248 HydrophobicContact CD2-CG 4.41Å; F242-L248 HydrophobicContact CE1-CB 4.42Å; F242-L248 HydrophobicContact CE1-CD1 3.94Å; F242-L248 HydrophobicContact CE2-CD1 3.57Å; F242-L248 HydrophobicContact CE2-CG 4.5Å; F242-L248 HydrophobicContact CG-CB 3.82Å; F242-L248 HydrophobicContact CG-CD1 4.33Å; F242-L248 HydrophobicContact CZ-CD1 3.56Å; S244-L248 PolarHBondContact O-N 2.97Å; V245-L248 PolarHBondContact O-N 2.9Å; E246-L248 VanDerWaalsContact C-N 3.34Å; E246-L248 PolarHBondContact O-N 2.89Å; L248-K251 PolarHBondContact O-N 2.86Å; L248-Y252 VanDerWaalsContact O-CB 3.23Å; L248-Y252 WeakPolarHBondContact O-CB 3.03Å; L248-Y252 PolarHBondContact O-N 2.84Å; L248-V257 HydrophobicContact CD1-CG2 4.47Å |
| 249 | V | 97.8 | Very high | 96.4 | Very high | 30 Ų | 30 | 67.5 Ų | 67.5 | 18% | 0.182 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.5 | -45.9 | -179.5 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | A160 V245 E246 K251 Y252 E253 | A160-V249 HydrophobicContact CB-CG2 4.17Å; V245-V249 HydrophobicContact CG1-CG2 4.4Å; V245-V249 WeakPolarHBondContact O-CG2 3.47Å; V245-V249 PolarHBondContact O-N 2.02Å; E246-V249 PolarHBondContact O-N 2.58Å; V249-K251 PolarHBondContact O-N 2.99Å; V249-Y252 PolarHBondContact O-N 2.56Å; V249-E253 WeakPolarHBondContact O-CG 3.37Å; V249-E253 PolarHBondContact O-N 2.75Å |
| 250 | E | 97.8 | Very high | 96.2 | Very high | 124 Ų | 124 | 65.8 Ų | 65.8 | 58% | 0.579 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -58 | -50.8 | 177.6 | -177.5 | 177.3 | -167 | 0 | 0 | 111.3 | E246 E247 Y252 E253 L254 | E246-E250 WeakPolarHBondContact O-CB 3.46Å; E246-E250 PolarHBondContact O-N 2.9Å; E247-E250 PolarHBondContact O-N 2.8Å; E250-Y252 VanDerWaalsContact C-N 3.32Å; E250-Y252 PolarHBondContact O-N 3.05Å; E250-E253 PolarHBondContact O-N 2.72Å; E250-L254 HydrophobicContact CG-CD1 4.05Å; E250-L254 WeakPolarHBondContact O-CG 3.36Å; E250-L254 PolarHBondContact O-N 3.03Å |
| 251 | K | 97.7 | Very high | 95.9 | Very high | 63 Ų | 63 | 68.4 Ų | 68.4 | 27% | 0.274 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.8 | -34.5 | 178.8 | -72.4 | -179.1 | 167.3 | 169.6 | 0 | 112.9 | F242 E247 L248 V249 G255 E256 V257 | F242-K251 HydrophobicContact CD1-CD 4.11Å; F242-K251 HydrophobicContact CE1-CB 4.44Å; F242-K251 HydrophobicContact CE1-CD 3.8Å; E247-K251 HydrophobicContact CG-CD 4.23Å; E247-K251 WeakPolarHBondContact O-CB 3.46Å; E247-K251 WeakPolarHBondContact O-CG 3.29Å; E247-K251 PolarHBondContact O-N 2.92Å; E247-K251 WeakPolarHBondContact OE1-CE 3.46Å; E247-K251 IonicContact OE1-NZ 3.97Å; E247-K251 PolarHBondContact OE1-NZ 2.92Å; L248-K251 PolarHBondContact O-N 2.86Å; V249-K251 PolarHBondContact O-N 2.99Å; K251-G255 PolarHBondContact O-N 3.14Å; K251-E256 HydrophobicContact CB-CB 4.19Å; K251-E256 PolarHBondContact O-N 2.71Å; K251-V257 HydrophobicContact CB-CG2 3.75Å |
| 252 | Y | 96.9 | Very high | 95.6 | Very high | 4 Ų | 4 | 63.3 Ų | 63.3 | 2% | 0.016 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.3 | -39.6 | 174.5 | -175.6 | -90.8 | 0 | 0 | 0 | 112 | L163 E166 L248 V249 E250 G255 K259 | L163-Y252 HydrophobicContact CB-CD1 4.06Å; L163-Y252 HydrophobicContact CB-CD2 4.37Å; L163-Y252 HydrophobicContact CB-CE1 4.09Å; L163-Y252 HydrophobicContact CB-CE2 4.37Å; L163-Y252 HydrophobicContact CB-CG 4.21Å; L163-Y252 HydrophobicContact CD1-CD1 4.42Å; L163-Y252 HydrophobicContact CD1-CD2 3.59Å; L163-Y252 HydrophobicContact CD1-CE2 4.15Å; L163-Y252 HydrophobicContact CD1-CG 3.73Å; L163-Y252 HydrophobicContact CG-CD1 4.37Å; L163-Y252 HydrophobicContact CG-CD2 3.78Å; L163-Y252 HydrophobicContact CG-CE1 4.43Å; L163-Y252 HydrophobicContact CG-CE2 3.81Å; L163-Y252 HydrophobicContact CG-CG 4.06Å; E166-Y252 WeakPolarHBondContact CB-OH 3.05Å; E166-Y252 PolarHBondContact OE2-OH 2.75Å; L248-Y252 VanDerWaalsContact O-CB 3.23Å; L248-Y252 WeakPolarHBondContact O-CB 3.03Å; L248-Y252 PolarHBondContact O-N 2.84Å; V249-Y252 PolarHBondContact O-N 2.56Å; E250-Y252 VanDerWaalsContact C-N 3.32Å; E250-Y252 PolarHBondContact O-N 3.05Å; Y252-G255 PolarHBondContact O-N 3.08Å; Y252-K259 HydrophobicContact CD2-CG 4.39Å; Y252-K259 HydrophobicContact CE1-CD 4.25Å; Y252-K259 HydrophobicContact CE1-CG 4.48Å; Y252-K259 HydrophobicContact CE2-CB 4.28Å; Y252-K259 HydrophobicContact CE2-CD 4.33Å; Y252-K259 HydrophobicContact CE2-CG 3.72Å |
| 253 | E | 95.5 | Very high | 94.9 | Very high | 117 Ų | 117 | 66.1 Ų | 66.1 | 55% | 0.547 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -72.2 | -34.5 | 177.6 | -69.6 | -163.5 | 141.7 | 0 | 0 | 113.2 | K162 V249 E250 G255 | K162-E253 IonicContact NZ-OE1 3.62Å; K162-E253 PolarHBondContact NZ-OE1 3.11Å; V249-E253 WeakPolarHBondContact O-CG 3.37Å; V249-E253 PolarHBondContact O-N 2.75Å; E250-E253 PolarHBondContact O-N 2.72Å; E253-G255 PolarHBondContact O-N 2.84Å |
| 254 | L | 96.6 | Very high | 94 | Very high | 111 Ų | 111 | 68.4 Ų | 68.4 | 58% | 0.581 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -9.8 | 172.9 | -67.5 | 173.1 | 0 | 0 | 0 | 113.4 | E250 E256 | E250-L254 HydrophobicContact CG-CD1 4.05Å; E250-L254 WeakPolarHBondContact O-CG 3.36Å; E250-L254 PolarHBondContact O-N 3.03Å; L254-E256 VanDerWaalsContact C-N 3.31Å; L254-E256 HydrophobicContact CB-CG 4.04Å |
| 255 | G | 94.1 | Very high | 92.8 | Very high | 56 Ų | 56 | 68.1 Ų | 68.1 | 58% | 0.577 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | 19.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | K251 Y252 E253 V257 | K251-G255 PolarHBondContact O-N 3.14Å; Y252-G255 PolarHBondContact O-N 3.08Å; E253-G255 PolarHBondContact O-N 2.84Å; G255-V257 VanDerWaalsContact C-N 3.31Å |
| 256 | E | 95.3 | Very high | 91.9 | Very high | 122 Ų | 122 | 72 Ų | 72 | 57% | 0.57 | 36% | 0.36 | S | S | * | . | trans | -81.3 | -13.2 | 176.5 | -63.3 | -176.7 | -168 | 0 | 0 | 112.7 | K251 L254 | K251-E256 HydrophobicContact CB-CB 4.19Å; K251-E256 PolarHBondContact O-N 2.71Å; L254-E256 VanDerWaalsContact C-N 3.31Å; L254-E256 HydrophobicContact CB-CG 4.04Å | ||
| 257 | V | 93.8 | Very high | 90.8 | Very high | 5 Ų | 5 | 71.6 Ų | 71.6 | 3% | 0.03 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -112.3 | 136.5 | 175.4 | -177.9 | 0 | 0 | 0 | 0 | 109.4 | Y237 M240 F242 L248 K251 G255 K259 | Y237-V257 HydrophobicContact CD1-CG1 3.76Å; Y237-V257 HydrophobicContact CE1-CG1 3.78Å; M240-V257 HydrophobicContact SD-CG1 4.47Å; F242-V257 HydrophobicContact CE1-CG2 3.86Å; F242-V257 HydrophobicContact CZ-CG1 4.48Å; F242-V257 HydrophobicContact CZ-CG2 3.71Å; L248-V257 HydrophobicContact CD1-CG2 4.47Å; K251-V257 HydrophobicContact CB-CG2 3.75Å; G255-V257 VanDerWaalsContact C-N 3.31Å; V257-K259 PolarHBondContact O-N 2.79Å |
| 258 | E | 91.4 | Very high | 89.9 | Confident | 140 Ų | 140 | 78.1 Ų | 78.1 | 65% | 0.654 | 39% | 0.392 | S | S | * | . | trans | -59.7 | 122.6 | 174.6 | -174.4 | -176.3 | -174.3 | 0 | 0 | 110.8 | N238 L260 | N238-E258 PolarHBondContact ND2-OE2 3.23Å; E258-L260 PolarHBondContact O-N 2.86Å | ||
| 259 | K | 90.9 | Very high | 89.3 | Confident | 102 Ų | 102 | 83.2 Ų | 83.2 | 44% | 0.443 | 42% | 0.42 | S | S | . | . | trans | -76.8 | 93.6 | 174.6 | -64.8 | -161.4 | 168 | -156 | 0 | 110.2 | E166 Y252 V257 | E166-K259 IonicContact OE2-NZ 3.43Å; E166-K259 PolarHBondContact OE2-NZ 2.84Å; Y252-K259 HydrophobicContact CD2-CG 4.39Å; Y252-K259 HydrophobicContact CE1-CD 4.25Å; Y252-K259 HydrophobicContact CE1-CG 4.48Å; Y252-K259 HydrophobicContact CE2-CB 4.28Å; Y252-K259 HydrophobicContact CE2-CD 4.33Å; Y252-K259 HydrophobicContact CE2-CG 3.72Å; V257-K259 PolarHBondContact O-N 2.79Å | ||
| 260 | L | 90 | Very high | 89 | Confident | 18 Ų | 18 | 82.6 Ų | 82.6 | 9% | 0.094 | 42% | 0.415 | C | S | . | . | trans | -61 | 141.2 | 167 | -67.9 | 179.6 | 0 | 0 | 0 | 110.4 | T167 Y237 N238 E258 F478 | T167-L260 VanDerWaalsContact CA-O 3.31Å; T167-L260 WeakPolarHBondContact CA-O 3.33Å; T167-L260 HydrophobicContact CG2-CB 3.97Å; T167-L260 PolarHBondContact OG1-O 3Å; Y237-L260 HydrophobicContact CE2-CD1 4.48Å; N238-L260 HydrophobicContact CB-CD1 3.51Å; N238-L260 HydrophobicContact CB-CG 4.04Å; N238-L260 VanDerWaalsContact CG-CD1 3.42Å; N238-L260 WeakPolarHBondContact ND2-CD2 3.48Å; N238-L260 WeakPolarHBondContact ND2-CG 3.32Å; E258-L260 PolarHBondContact O-N 2.86Å; L260-F478 HydrophobicContact CD1-CE1 3.82Å; L260-F478 HydrophobicContact CD1-CE2 4.44Å; L260-F478 HydrophobicContact CD1-CZ 3.52Å; L260-F478 HydrophobicContact CD2-CZ 4.49Å | ||
| 261 | K | 91.7 | Very high | 88.9 | Confident | 136 Ų | 136 | 78 Ų | 78 | 59% | 0.591 | 39% | 0.393 | S | S | * | . | trans | -130 | 106.8 | 165.1 | -173.2 | 177.9 | 179.9 | -175.5 | 0 | 108 | ||||
| 262 | L | 92.6 | Very high | 88.8 | Confident | 7 Ų | 7 | 75 Ų | 75 | 4% | 0.037 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 150.3 | 176.6 | -57.5 | 179.1 | 0 | 0 | 0 | 109.7 | T167 T168 I214 E264 F478 Y493 | T167-L262 HydrophobicContact CG2-CD1 4.41Å; T167-L262 HydrophobicContact CG2-CG 4.25Å; T167-L262 WeakPolarHBondContact O-CB 3.38Å; T167-L262 WeakPolarHBondContact O-CG 3.32Å; T167-L262 PolarHBondContact O-N 2.92Å; T168-L262 HydrophobicContact CG2-CD1 4.44Å; I214-L262 HydrophobicContact CB-CD1 3.98Å; I214-L262 HydrophobicContact CG2-CD1 4.01Å; L262-E264 PolarHBondContact O-N 2.69Å; L262-F478 HydrophobicContact CD2-CE2 3.67Å; L262-F478 HydrophobicContact CD2-CZ 4.25Å; L262-Y493 HydrophobicContact CD2-CD1 3.8Å; L262-Y493 HydrophobicContact CD2-CD2 4.25Å; L262-Y493 HydrophobicContact CD2-CE1 4.18Å; L262-Y493 HydrophobicContact CD2-CG 3.81Å |
| 263 | P | 83.7 | Confident | 88.7 | Confident | 62 Ų | 62 | 75.2 Ų | 75.2 | 40% | 0.403 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -51.8 | 141.5 | 178.1 | -27.1 | 34.5 | 0 | 0 | 0 | 111.1 | K204 H265 Y493 | K204-P263 PolarHBondContact NZ-O 3.33Å; P263-H265 PolarHBondContact O-N 2.51Å; P263-Y493 VanDerWaalsContact CD-CD2 3.49Å; P263-Y493 HydrophobicContact CG-CD2 3.92Å; P263-Y493 HydrophobicContact CG-CE2 3.6Å |
| 264 | E | 77.2 | Confident | 88.7 | Confident | 152 Ų | 152 | 76.2 Ų | 76.2 | 71% | 0.71 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 129.2 | 171.6 | -80.4 | -177.2 | -170.6 | 0 | 0 | 108.8 | L262 N266 | L262-E264 PolarHBondContact O-N 2.69Å; E264-N266 PolarHBondContact O-N 3.45Å |
| 265 | H | 73.1 | Confident | 88.6 | Confident | 27 Ų | 27 | 76.4 Ų | 76.4 | 13% | 0.125 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -77.9 | 120.9 | -177.1 | -179.1 | 85.9 | 0 | 0 | 0 | 109.4 | F171 V206 P263 D267 L270 | F171-H265 HydrophobicContact CE2-CB 4.08Å; F171-H265 HydrophobicContact CZ-CB 4.36Å; V206-H265 WeakPolarHBondContact CG1-CE1 3.46Å; P263-H265 PolarHBondContact O-N 2.51Å; H265-D267 IonicContact CD2-OD1 3.44Å; H265-D267 PolarHBondContact CD2-OD1 3.49Å; H265-D267 IonicContact NE2-OD1 3.69Å; H265-D267 PolarHBondContact NE2-OD1 3.11Å; H265-L270 WeakPolarHBondContact CE1-CD2 3.34Å |
| 266 | N | 79.7 | Confident | 88.5 | Confident | 85 Ų | 85 | 79.7 Ų | 79.7 | 46% | 0.455 | 39% | 0.393 | S | S | . | . | trans | -92.6 | 107.2 | 168.3 | -176.6 | 6.2 | 0 | 0 | 0 | 109.1 | E264 E268 D269 L270 | E264-N266 PolarHBondContact O-N 3.45Å; N266-E268 PolarHBondContact O-N 2.9Å; N266-E268 VanDerWaalsContact O-N 3.08Å; N266-E268 PolarHBondContact OD1-N 2.98Å; N266-E268 VanDerWaalsContact OD1-N 3.11Å; N266-D269 PolarHBondContact O-N 3.33Å; N266-D269 VanDerWaalsContact O-N 3.14Å; N266-L270 VanDerWaalsContact O-CD2 3.26Å; N266-L270 WeakPolarHBondContact O-CD2 3.33Å | ||
| 267 | D | 75.9 | Confident | 88.4 | Confident | 97 Ų | 97 | 79.7 Ų | 79.7 | 52% | 0.519 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -19 | 180 | -65.4 | -51.1 | 0 | 0 | 0 | 112.5 | H265 | H265-D267 IonicContact CD2-OD1 3.44Å; H265-D267 PolarHBondContact CD2-OD1 3.49Å; H265-D267 IonicContact NE2-OD1 3.69Å; H265-D267 PolarHBondContact NE2-OD1 3.11Å |
| 268 | E | 79.2 | Confident | 88.2 | Confident | 182 Ų | 182 | 83.4 Ų | 83.4 | 85% | 0.85 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -9.5 | -179.1 | -58.9 | -174.6 | 169.4 | 0 | 0 | 114.2 | N266 | N266-E268 PolarHBondContact O-N 2.9Å; N266-E268 VanDerWaalsContact O-N 3.08Å; N266-E268 PolarHBondContact OD1-N 2.98Å; N266-E268 VanDerWaalsContact OD1-N 3.11Å |
| 269 | D | 84.5 | Confident | 88.1 | Confident | 108 Ų | 108 | 84.1 Ų | 84.1 | 58% | 0.578 | 43% | 0.43 | S | S | * | . | trans | -143.2 | 70.4 | -174.7 | -171 | 20.8 | 0 | 0 | 0 | 112.1 | N266 | N266-D269 PolarHBondContact O-N 3.33Å; N266-D269 VanDerWaalsContact O-N 3.14Å | ||
| 270 | L | 92.1 | Very high | 88.1 | Confident | 16 Ų | 16 | 82.2 Ų | 82.2 | 8% | 0.084 | 43% | 0.43 | C | S | . | . | trans | -88.6 | 125.6 | 178.8 | -57.5 | -174 | 0 | 0 | 0 | 111.5 | V206 E207 H265 N266 S272 T273 | V206-L270 HydrophobicContact CB-CD1 4.39Å; E207-L270 HydrophobicContact CB-CD1 3.98Å; H265-L270 WeakPolarHBondContact CE1-CD2 3.34Å; N266-L270 VanDerWaalsContact O-CD2 3.26Å; N266-L270 WeakPolarHBondContact O-CD2 3.33Å; L270-S272 PolarHBondContact O-N 3.47Å; L270-S272 VanDerWaalsContact O-N 3.13Å; L270-T273 HydrophobicContact CB-CG2 4.44Å; L270-T273 WeakPolarHBondContact O-CG2 3.19Å; L270-T273 PolarHBondContact O-N 3.07Å | ||
| 271 | Y | 94.3 | Very high | 88.1 | Confident | 28 Ų | 28 | 88.8 Ų | 88.8 | 11% | 0.11 | 47% | 0.465 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -22 | 171.5 | 65.6 | -85 | 0 | 0 | 0 | 112.7 | I211 H212 R277 Y491 V494 I672 | I211-Y271 HydrophobicContact CB-CE2 4.37Å; I211-Y271 HydrophobicContact CD1-CD2 4Å; I211-Y271 HydrophobicContact CD1-CE2 3.66Å; I211-Y271 HydrophobicContact CG1-CE2 3.91Å; I211-Y271 PolarHBondContact O-OH 2.98Å; H212-Y271 AromaticContact CE1-CE1 3.26Å; H212-Y271 WeakPolarHBondContact CE1-CE1 3.32Å; H212-Y271 AromaticContact CE1-CZ 3.45Å; H212-Y271 VanDerWaalsContact CE1-CZ 3.45Å; H212-Y271 PolarHBondContact CE1-OH 2.96Å; H212-Y271 VanDerWaalsContact CE1-OH 3.3Å; H212-Y271 AromaticContact ND1-CE1 3.79Å; H212-Y271 AromaticContact ND1-CZ 3.79Å; H212-Y271 PolarHBondContact ND1-OH 3.19Å; H212-Y271 AromaticContact NE2-CE1 3.95Å; H212-Y271 AromaticContact NE2-CZ 3.79Å; Y271-R277 PolarHBondContact O-NH2 2.8Å; Y271-Y491 AromaticContact CD1-CD1 3.78Å; Y271-Y491 HydrophobicContact CD1-CD1 3.78Å; Y271-Y491 HydrophobicContact CD1-CD2 4.15Å; Y271-Y491 AromaticContact CD1-CE1 3.37Å; Y271-Y491 HydrophobicContact CD1-CE1 3.37Å; Y271-Y491 AromaticContact CD1-CE2 3.78Å; Y271-Y491 HydrophobicContact CD1-CE2 3.78Å; Y271-Y491 HydrophobicContact CD1-CG 4.15Å; Y271-Y491 AromaticContact CD1-CZ 3.36Å; Y271-Y491 HydrophobicContact CD2-CD1 4.36Å; Y271-Y491 AromaticContact CD2-CD2 3.96Å; Y271-Y491 HydrophobicContact CD2-CD2 3.96Å; Y271-Y491 HydrophobicContact CD2-CE2 4.27Å; Y271-Y491 HydrophobicContact CD2-CG 4Å; Y271-Y491 AromaticContact CE1-CD1 3.55Å; Y271-Y491 HydrophobicContact CE1-CD1 3.55Å; Y271-Y491 AromaticContact CE1-CE1 3.44Å; Y271-Y491 HydrophobicContact CE1-CE1 3.44Å; Y271-Y491 VanDerWaalsContact CE1-CE1 3.44Å; Y271-Y491 HydrophobicContact CE1-CG 4.17Å; Y271-Y491 AromaticContact CE1-CZ 3.97Å; Y271-Y491 HydrophobicContact CE2-CD1 4.14Å; Y271-Y491 HydrophobicContact CE2-CD2 4.41Å; Y271-Y491 AromaticContact CE2-CG 3.98Å; Y271-Y491 HydrophobicContact CE2-CG 3.98Å; Y271-Y491 HydrophobicContact CG-CD1 4.19Å; Y271-Y491 AromaticContact CG-CD2 3.81Å; Y271-Y491 HydrophobicContact CG-CD2 3.81Å; Y271-Y491 HydrophobicContact CG-CE1 4.05Å; Y271-Y491 AromaticContact CG-CE2 3.64Å; Y271-Y491 HydrophobicContact CG-CE2 3.64Å; Y271-Y491 HydrophobicContact CG-CG 4.08Å; Y271-Y491 AromaticContact CG-CZ 3.75Å; Y271-Y491 AromaticContact CZ-CD1 3.75Å; Y271-V494 HydrophobicContact CE2-CG2 4.42Å; Y271-V494 WeakPolarHBondContact OH-CG2 3.47Å; Y271-I672 HydrophobicContact CD2-CG2 3.78Å; Y271-I672 VanDerWaalsContact O-CG2 3.28Å; Y271-I672 WeakPolarHBondContact O-CG2 3.39Å |
| 272 | S | 95.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 87.8 Ų | 87.8 | 0% | 0 | 47% | 0.47 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -8 | 179.6 | 54.9 | 0 | 0 | 0 | 0 | 114.9 | E207 H212 L270 Y473 P673 | E207-S272 VanDerWaalsContact O-CB 3.27Å; E207-S272 WeakPolarHBondContact O-CB 3.36Å; E207-S272 PolarHBondContact O-OG 3.4Å; H212-S272 WeakPolarHBondContact NE2-CB 3.39Å; H212-S272 PolarHBondContact NE2-OG 2.8Å; L270-S272 PolarHBondContact O-N 3.47Å; L270-S272 VanDerWaalsContact O-N 3.13Å; S272-Y473 WeakPolarHBondContact O-CE1 3.28Å; S272-Y473 PolarHBondContact O-OH 3.35Å; S272-P673 WeakPolarHBondContact O-CB 3.42Å |
| 273 | T | 95.7 | Very high | 87.8 | Confident | 9 Ų | 9 | 92 Ų | 92 | 6% | 0.055 | 50% | 0.498 | C | S | . | . | trans | -78.3 | 154.4 | -179.6 | -169.5 | 0 | 0 | 0 | 0 | 112.6 | E207 L270 I275 R277 | E207-T273 WeakPolarHBondContact OE1-CA 3.27Å; E207-T273 PolarHBondContact OE1-OG1 2.87Å; E207-T273 VanDerWaalsContact OE2-CB 3.26Å; E207-T273 WeakPolarHBondContact OE2-CB 3.29Å; E207-T273 PolarHBondContact OE2-OG1 3.35Å; L270-T273 HydrophobicContact CB-CG2 4.44Å; L270-T273 WeakPolarHBondContact O-CG2 3.19Å; L270-T273 PolarHBondContact O-N 3.07Å; T273-I275 VanDerWaalsContact C-N 3.35Å; T273-I275 HydrophobicContact CG2-CB 3.78Å; T273-I275 HydrophobicContact CG2-CD1 4.5Å; T273-I275 HydrophobicContact CG2-CG1 4.28Å; T273-I275 WeakPolarHBondContact OG1-CG1 3.44Å; T273-I275 PolarHBondContact OG1-N 3.25Å; T273-I275 VanDerWaalsContact OG1-N 3.15Å; T273-R277 PolarHBondContact O-NH1 3.47Å | ||
| 274 | Y | 94.9 | Very high | 88 | Confident | 137 Ų | 137 | 93.7 Ų | 93.7 | 54% | 0.537 | 51% | 0.507 | S | S | . | . | trans | -82 | -8.1 | 167.7 | -89.3 | -99.4 | 0 | 0 | 0 | 114.1 | E207 P276 Y473 N674 | E207-Y274 PolarHBondContact OE1-N 2.84Å; Y274-P276 WeakPolarHBondContact O-CD 3.47Å; Y274-Y473 HydrophobicContact CE2-CE2 4.38Å; Y274-N674 WeakPolarHBondContact CE2-OD1 3.46Å; Y274-N674 VanDerWaalsContact CZ-OD1 3.3Å; Y274-N674 PolarHBondContact OH-OD1 2.76Å | ||
| 275 | I | 94.6 | Very high | 88.5 | Confident | 115 Ų | 115 | 94 Ų | 94 | 59% | 0.59 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -55.4 | 123.9 | 177.3 | -63.8 | 168 | 0 | 0 | 0 | 109.5 | T273 R277 | T273-I275 VanDerWaalsContact C-N 3.35Å; T273-I275 HydrophobicContact CG2-CB 3.78Å; T273-I275 HydrophobicContact CG2-CD1 4.5Å; T273-I275 HydrophobicContact CG2-CG1 4.28Å; T273-I275 WeakPolarHBondContact OG1-CG1 3.44Å; T273-I275 PolarHBondContact OG1-N 3.25Å; T273-I275 VanDerWaalsContact OG1-N 3.15Å; I275-R277 PolarHBondContact O-N 3.12Å |
| 276 | P | 92.9 | Very high | 89.4 | Confident | 126 Ų | 126 | 98.5 Ų | 98.5 | 82% | 0.818 | 54% | 0.538 | S | S | * | . | trans | -58.6 | 135.1 | -179.2 | -25.6 | 34.4 | 0 | 0 | 0 | 112.1 | Y274 | Y274-P276 WeakPolarHBondContact O-CD 3.47Š| ||
| 277 | R | 92.4 | Very high | 89.7 | Confident | 121 Ų | 121 | 102.3 Ų | 102.3 | 46% | 0.457 | 55% | 0.552 | S | S | . | * | trans | -143.1 | 161.5 | 178.1 | 59.9 | -174.3 | -179.9 | -92.1 | 3.1 | 110.9 | Y271 T273 I275 | Y271-R277 PolarHBondContact O-NH2 2.8Å; T273-R277 PolarHBondContact O-NH1 3.47Å; I275-R277 PolarHBondContact O-N 3.12Å | ||
| 278 | G | 89.6 | Confident | 90.4 | Very high | 83 Ų | 83 | 100.2 Ų | 100.2 | 86% | 0.856 | 55% | 0.553 | S | S | * | * | S | Bend | trans | 87.1 | -170.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 279 | H | 90.1 | Very high | 91 | Very high | 156 Ų | 156 | 98.1 Ų | 98.1 | 72% | 0.722 | 56% | 0.556 | S | S | * | * | trans | -135 | 135.8 | -178.5 | -176.6 | 41.9 | 0 | 0 | 0 | 110.9 | ||||
| 280 | S | 89.6 | Confident | 91.2 | Very high | 62 Ų | 62 | 98 Ų | 98 | 43% | 0.434 | 55% | 0.55 | S | S | . | * | trans | -97.2 | 135.6 | 169 | 175.1 | 0 | 0 | 0 | 0 | 109.6 | T282 P283 | S280-T282 PolarHBondContact O-N 2.82Å; S280-T282 VanDerWaalsContact O-N 3.12Å; S280-T282 PolarHBondContact OG-N 3.39Å; S280-T282 PolarHBondContact OG-O 3.04Å; S280-P283 WeakPolarHBondContact O-CD 3.2Å | ||
| 281 | N | 91.2 | Very high | 91.2 | Very high | 155 Ų | 155 | 99.5 Ų | 99.5 | 83% | 0.829 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -62.3 | -17.5 | 174.5 | -66.5 | -26.2 | 0 | 0 | 0 | 112.9 | ||
| 282 | T | 90.6 | Very high | 91 | Very high | 115 Ų | 115 | 100.8 Ų | 100.8 | 71% | 0.706 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -127.5 | 74.7 | 175.5 | 51.4 | 0 | 0 | 0 | 0 | 109.3 | S280 | S280-T282 PolarHBondContact O-N 2.82Å; S280-T282 VanDerWaalsContact O-N 3.12Å; S280-T282 PolarHBondContact OG-N 3.39Å; S280-T282 PolarHBondContact OG-O 3.04Å |
| 283 | P | 85.9 | Confident | 90.8 | Very high | 96 Ų | 96 | 102.2 Ų | 102.2 | 62% | 0.623 | 58% | 0.575 | S | S | * | * | trans | -67.6 | 142.5 | 179.6 | 29.7 | -33 | 0 | 0 | 0 | 110 | S280 | S280-P283 WeakPolarHBondContact O-CD 3.2Š| ||
| 284 | T | 88.1 | Confident | 90.5 | Very high | 97 Ų | 97 | 104.1 Ų | 104.1 | 60% | 0.595 | 59% | 0.588 | S | S | * | * | trans | -151.1 | 139.9 | 176 | -167.6 | 0 | 0 | 0 | 0 | 110.7 | I286 | T284-I286 WeakPolarHBondContact OG1-CD1 3.5Å; T284-I286 VanDerWaalsContact OG1-CG1 3.23Å; T284-I286 WeakPolarHBondContact OG1-CG1 3.38Å; T284-I286 PolarHBondContact OG1-N 2.89Å | ||
| 285 | D | 87.8 | Confident | 90.2 | Very high | 158 Ų | 158 | 104.2 Ų | 104.2 | 85% | 0.845 | 59% | 0.593 | S | S | * | * | trans | -106.5 | 7.2 | 175.4 | 60.9 | -17.9 | 0 | 0 | 0 | 111.8 | ||||
| 286 | I | 91.9 | Very high | 90 | Very high | 123 Ų | 123 | 100.5 Ų | 100.5 | 63% | 0.631 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -86.4 | 140.1 | 177.5 | 79.6 | -163.9 | 0 | 0 | 0 | 110 | T284 | T284-I286 WeakPolarHBondContact OG1-CD1 3.5Å; T284-I286 VanDerWaalsContact OG1-CG1 3.23Å; T284-I286 WeakPolarHBondContact OG1-CG1 3.38Å; T284-I286 PolarHBondContact OG1-N 2.89Å |
| 287 | H | 86.3 | Confident | 90 | Very high | 165 Ų | 165 | 99 Ų | 99 | 76% | 0.764 | 57% | 0.565 | S | S | * | * | trans | -63.1 | 141.5 | 173 | -69.4 | -67.8 | 0 | 0 | 0 | 111.3 | ||||
| 288 | G | 90.6 | Very high | 90.1 | Very high | 52 Ų | 52 | 99 Ų | 99 | 54% | 0.536 | 57% | 0.565 | S | S | . | * | trans | -65.9 | 176.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K290 | G288-K290 PolarHBondContact O-N 3.3Š| ||
| 289 | P | 91.5 | Very high | 90.5 | Very high | 139 Ų | 139 | 95.9 Ų | 95.9 | 90% | 0.903 | 53% | 0.528 | S | S | * | . | trans | -56 | 138.4 | 178.6 | -23.4 | 33.5 | 0 | 0 | 0 | 112.3 | ||||
| 290 | K | 90.3 | Very high | 90.8 | Very high | 106 Ų | 106 | 91.3 Ų | 91.3 | 46% | 0.461 | 51% | 0.513 | S | S | . | . | trans | -114.8 | 145.7 | 176.3 | -65.5 | -64.9 | -171.8 | 167.1 | 0 | 110.6 | G288 E382 | G288-K290 PolarHBondContact O-N 3.3Å; K290-E382 WeakPolarHBondContact CD-OE1 3.26Å; K290-E382 VanDerWaalsContact CE-OE1 3.27Å; K290-E382 WeakPolarHBondContact CE-OE1 3.33Å; K290-E382 IonicContact NZ-OE1 2.71Å; K290-E382 PolarHBondContact NZ-OE1 3.33Å | ||
| 291 | L | 91.8 | Very high | 91.1 | Very high | 47 Ų | 47 | 90.9 Ų | 90.9 | 25% | 0.246 | 51% | 0.506 | C | S | . | . | trans | -83.8 | 135.6 | 176.2 | -172.4 | 67.4 | 0 | 0 | 0 | 109.8 | P381 I383 E409 M410 | L291-P381 HydrophobicContact CB-CB 4.35Å; L291-P381 HydrophobicContact CD2-CB 4.08Å; L291-P381 HydrophobicContact CD2-CG 3.86Å; L291-I383 HydrophobicContact CB-CD1 4.49Å; L291-I383 HydrophobicContact CD2-CD1 3.96Å; L291-I383 HydrophobicContact CG-CD1 3.89Å; L291-E409 VanDerWaalsContact CD2-O 3.26Å; L291-E409 WeakPolarHBondContact CD2-O 3.35Å; L291-M410 HydrophobicContact CD2-CB 3.72Å | ||
| 292 | V | 90.5 | Very high | 91.2 | Very high | 55 Ų | 55 | 85.8 Ų | 85.8 | 33% | 0.333 | 48% | 0.478 | S | S | . | . | trans | -135.6 | 150.9 | -178.7 | -59.9 | 0 | 0 | 0 | 0 | 110.4 | P294 C727 | V292-P294 HydrophobicContact CG2-CG 4.3Å; V292-C727 WeakPolarHBondContact CB-O 3.34Å; V292-C727 WeakPolarHBondContact CG1-O 3.48Å | ||
| 293 | E | 90.6 | Very high | 91.3 | Very high | 29 Ų | 29 | 89.4 Ų | 89.4 | 14% | 0.136 | 48% | 0.479 | C | S | . | . | trans | -122.2 | 85.2 | 177.9 | -82.6 | 177.4 | 173.9 | 0 | 0 | 110.6 | Q295 G296 H297 I383 | E293-Q295 PolarHBondContact O-N 2.94Å; E293-G296 PolarHBondContact O-N 3.25Å; E293-H297 IonicContact OE1-ND1 2.92Å; E293-H297 IonicContact OE2-CE1 3.02Å; E293-H297 PolarHBondContact OE2-CE1 3.34Å; E293-H297 VanDerWaalsContact OE2-CE1 3.31Å; E293-H297 IonicContact OE2-CG 2.87Å; E293-H297 IonicContact OE2-ND1 3.79Å; E293-H297 PolarHBondContact OE2-ND1 3.08Å; E293-I383 HydrophobicContact CB-CD1 4.21Å; E293-I383 HydrophobicContact CG-CD1 3.53Å | ||
| 294 | P | 89.3 | Confident | 91.8 | Very high | 50 Ų | 50 | 85.4 Ų | 85.4 | 33% | 0.325 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -10.7 | -169.6 | -16.9 | 29.2 | 0 | 0 | 0 | 115.9 | V292 V724 G725 C727 | V292-P294 HydrophobicContact CG2-CG 4.3Å; P294-V724 HydrophobicContact CB-CG1 3.95Å; P294-V724 HydrophobicContact CG-CG1 3.98Å; P294-G725 WeakPolarHBondContact CB-O 3.35Å; P294-G725 WeakPolarHBondContact CG-O 3.38Å; P294-C727 WeakPolarHBondContact CA-SG 3.19Å |
| 295 | Q | 89.2 | Confident | 92.2 | Very high | 139 Ų | 139 | 81.4 Ų | 81.4 | 65% | 0.65 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.6 | 15.8 | 177.6 | -56.5 | -171.5 | -67.8 | 0 | 0 | 111.9 | E293 V724 | E293-Q295 PolarHBondContact O-N 2.94Å; Q295-V724 HydrophobicContact CG-CG1 4.08Å |
| 296 | G | 89.5 | Confident | 92.7 | Very high | 37 Ų | 37 | 73.9 Ų | 73.9 | 38% | 0.381 | 39% | 0.387 | S | S | . | . | trans | 73.7 | -175.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | E293 | E293-G296 PolarHBondContact O-N 3.25Š| ||
| 297 | H | 94 | Very high | 93 | Very high | 95 Ų | 95 | 70.3 Ų | 70.3 | 44% | 0.44 | 37% | 0.367 | S | S | . | . | trans | -62.4 | 137.5 | -177.9 | -56.4 | -46.7 | 0 | 0 | 0 | 112.2 | E293 Y299 I383 | E293-H297 IonicContact OE1-ND1 2.92Å; E293-H297 IonicContact OE2-CE1 3.02Å; E293-H297 PolarHBondContact OE2-CE1 3.34Å; E293-H297 VanDerWaalsContact OE2-CE1 3.31Å; E293-H297 IonicContact OE2-CG 2.87Å; E293-H297 IonicContact OE2-ND1 3.79Å; E293-H297 PolarHBondContact OE2-ND1 3.08Å; H297-Y299 HydrophobicContact CB-CD1 4.12Å; H297-Y299 HydrophobicContact CB-CE1 3.87Å; H297-Y299 HydrophobicContact CB-CE2 4.46Å; H297-Y299 PolarHBondContact CE1-OH 3.36Å; H297-Y299 AromaticContact CG-CE1 3.93Å; H297-Y299 AromaticContact CG-CZ 3.76Å; H297-Y299 AromaticContact ND1-CE1 3.67Å; H297-Y299 AromaticContact ND1-CZ 3.58Å; H297-Y299 PolarHBondContact ND1-OH 3.31Å; H297-I383 PolarHBondContact CE1-O 2.77Å; H297-I383 VanDerWaalsContact CE1-O 3.23Å | ||
| 298 | R | 95 | Very high | 93.5 | Very high | 121 Ų | 121 | 62.7 Ų | 62.7 | 46% | 0.457 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -99.5 | 7.8 | 172.2 | -55.3 | -165.5 | -59.5 | 156.8 | -7.6 | 113.5 | E409 T437 | R298-E409 IonicContact CZ-OE1 2.69Å; R298-E409 IonicContact CZ-OE2 2.56Å; R298-E409 IonicContact NE-OE1 3.54Å; R298-E409 IonicContact NE-OE2 3.58Å; R298-E409 PolarHBondContact NE-OE2 3.44Å; R298-E409 IonicContact NH2-OE1 2.67Å; R298-E409 PolarHBondContact NH2-OE1 3.12Å; R298-E409 IonicContact NH2-OE2 3.82Å; R298-E409 PolarHBondContact NH2-OE2 3.12Å; R298-T437 PolarHBondContact NH2-OG1 3.18Å |
| 299 | Y | 96.8 | Very high | 93.7 | Very high | 16 Ų | 16 | 64.1 Ų | 64.1 | 6% | 0.063 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 157.2 | 173.7 | 60.7 | -88.8 | 0 | 0 | 0 | 109.2 | H297 I301 E307 T385 I407 E409 L439 | H297-Y299 HydrophobicContact CB-CD1 4.12Å; H297-Y299 HydrophobicContact CB-CE1 3.87Å; H297-Y299 HydrophobicContact CB-CE2 4.46Å; H297-Y299 PolarHBondContact CE1-OH 3.36Å; H297-Y299 AromaticContact CG-CE1 3.93Å; H297-Y299 AromaticContact CG-CZ 3.76Å; H297-Y299 AromaticContact ND1-CE1 3.67Å; H297-Y299 AromaticContact ND1-CZ 3.58Å; H297-Y299 PolarHBondContact ND1-OH 3.31Å; Y299-I301 HydrophobicContact CD2-CD1 4Å; Y299-I301 HydrophobicContact CD2-CG1 4.01Å; Y299-I301 HydrophobicContact CE2-CD1 3.63Å; Y299-I301 HydrophobicContact CE2-CG1 4.15Å; Y299-E307 CarbonylContact C-O 3.57Å; Y299-E307 WeakPolarHBondContact CA-O 3.25Å; Y299-E307 WeakPolarHBondContact CB-O 3.1Å; Y299-T385 PolarHBondContact OH-OG1 2.89Å; Y299-T385 VanDerWaalsContact OH-OG1 3.09Å; Y299-I407 HydrophobicContact CD2-CG2 4.05Å; Y299-I407 HydrophobicContact CE2-CB 4.49Å; Y299-I407 HydrophobicContact CE2-CG2 3.84Å; Y299-I407 PolarHBondContact OH-O 3.02Å; Y299-I407 VanDerWaalsContact OH-O 3.07Å; Y299-E409 HydrophobicContact CD1-CB 4.32Å; Y299-E409 HydrophobicContact CE1-CB 4.38Å; Y299-L439 HydrophobicContact CD1-CD1 3.63Å; Y299-L439 HydrophobicContact CD2-CD1 4.23Å; Y299-L439 HydrophobicContact CE1-CD1 4.26Å; Y299-L439 HydrophobicContact CG-CD1 3.63Å |
| 300 | S | 96.1 | Very high | 93.8 | Very high | 61 Ų | 61 | 58.1 Ų | 58.1 | 43% | 0.427 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 139.7 | 174.3 | 55.1 | 0 | 0 | 0 | 0 | 110.5 | V306 E307 | S300-V306 WeakPolarHBondContact O-CA 3.16Å; S300-E307 PolarHBondContact N-O 2.86Å; S300-E307 PolarHBondContact O-N 2.62Å |
| 301 | I | 95.6 | Very high | 94.2 | Very high | 53 Ų | 53 | 53.2 Ų | 53.2 | 27% | 0.272 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 129.5 | 177 | -58.9 | 161.8 | 0 | 0 | 0 | 108 | Y299 R303 F305 V306 T385 I407 | Y299-I301 HydrophobicContact CD2-CD1 4Å; Y299-I301 HydrophobicContact CD2-CG1 4.01Å; Y299-I301 HydrophobicContact CE2-CD1 3.63Å; Y299-I301 HydrophobicContact CE2-CG1 4.15Å; I301-R303 WeakPolarHBondContact CG2-O 3.14Å; I301-F305 WeakPolarHBondContact CA-O 3.47Å; I301-V306 HydrophobicContact CG1-CG2 4.31Å; I301-T385 HydrophobicContact CD1-CG2 3.67Å; I301-I407 HydrophobicContact CD1-CB 3.93Å; I301-I407 HydrophobicContact CD1-CD1 3.53Å; I301-I407 HydrophobicContact CD1-CG1 4.31Å; I301-I407 HydrophobicContact CD1-CG2 4.04Å; I301-I407 HydrophobicContact CG1-CD1 4.02Å |
| 302 | D | 94.1 | Very high | 94.5 | Very high | 47 Ų | 47 | 51.7 Ų | 51.7 | 25% | 0.251 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 105.3 | 167.1 | 179.8 | 9.5 | 0 | 0 | 0 | 108.6 | A24 H25 N304 F305 | A24-D302 HydrophobicContact CB-CB 4.22Å; H25-D302 IonicContact CE1-OD2 3.92Å; H25-D302 PolarHBondContact CE1-OD2 3.08Å; H25-D302 IonicContact ND1-OD2 2.92Å; H25-D302 PolarHBondContact ND1-OD2 3.4Å; H25-D302 VanDerWaalsContact ND1-OD2 3.1Å; H25-D302 IonicContact NE2-OD2 2.71Å; D302-N304 PolarHBondContact O-N 2.95Å; D302-F305 PolarHBondContact N-O 3.37Å; D302-F305 WeakPolarHBondContact O-CB 3.09Å; D302-F305 PolarHBondContact O-N 3.08Å |
| 303 | R | 92.2 | Very high | 94.8 | Very high | 192 Ų | 192 | 49.2 Ų | 49.2 | 73% | 0.725 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | -109.7 | -172 | -57.2 | 170.1 | -171 | -114.6 | 0.6 | 110.4 | I301 Y315 | I301-R303 WeakPolarHBondContact CG2-O 3.14Å; R303-Y315 PolarHBondContact O-OH 3.49Å |
| 304 | N | 96.4 | Very high | 95.2 | Very high | 11 Ų | 11 | 47.9 Ų | 47.9 | 6% | 0.059 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 11 | -179.7 | 79.3 | -51.4 | 0 | 0 | 0 | 113.3 | A28 A32 D302 A314 Y315 | A28-N304 PolarHBondContact O-ND2 3.31Å; A28-N304 PolarHBondContact O-OD1 2.66Å; A32-N304 WeakPolarHBondContact CA-ND2 3.4Å; A32-N304 HydrophobicContact CB-CB 4.25Å; A32-N304 PolarHBondContact N-ND2 2.78Å; D302-N304 PolarHBondContact O-N 2.95Å; N304-A314 CarbonylContact O-C 3.59Å; N304-A314 WeakPolarHBondContact O-CA 3.29Å; N304-Y315 HydrophobicContact CB-CD1 4.44Å; N304-Y315 HydrophobicContact CB-CE1 4.31Å; N304-Y315 WeakPolarHBondContact CB-O 3.48Å; N304-Y315 PolarHBondContact ND2-O 2.71Å; N304-Y315 WeakPolarHBondContact O-CD1 3.14Å; N304-Y315 PolarHBondContact O-N 2.75Å |
| 305 | F | 97.6 | Very high | 95.7 | Very high | 14 Ų | 14 | 46 Ų | 46 | 6% | 0.061 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 138.6 | 175 | -177.3 | -113.5 | 0 | 0 | 0 | 110.6 | A24 A28 I301 D302 E307 F313 | A24-F305 HydrophobicContact CB-CB 4.26Å; A24-F305 HydrophobicContact CB-CD1 3.36Å; A24-F305 HydrophobicContact CB-CE1 3.81Å; A24-F305 HydrophobicContact CB-CG 3.97Å; A28-F305 HydrophobicContact CB-CB 3.61Å; A28-F305 HydrophobicContact CB-CD2 3.93Å; A28-F305 HydrophobicContact CB-CG 4.12Å; I301-F305 WeakPolarHBondContact CA-O 3.47Å; D302-F305 PolarHBondContact N-O 3.37Å; D302-F305 WeakPolarHBondContact O-CB 3.09Å; D302-F305 PolarHBondContact O-N 3.08Å; F305-E307 HydrophobicContact CD1-CG 4.07Å; F305-E307 HydrophobicContact CE1-CG 3.21Å; F305-E307 HydrophobicContact CZ-CG 3.53Å; F305-F313 WeakPolarHBondContact CA-O 3.5Å; F305-F313 VanDerWaalsContact CD2-O 3.27Å; F305-F313 WeakPolarHBondContact CD2-O 3.41Å |
| 306 | V | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 135 | -179.6 | -175 | 0 | 0 | 0 | 0 | 109.7 | S300 I301 S312 F313 Y315 I407 L439 | S300-V306 WeakPolarHBondContact O-CA 3.16Å; I301-V306 HydrophobicContact CG1-CG2 4.31Å; V306-S312 VanDerWaalsContact O-CA 3.3Å; V306-S312 WeakPolarHBondContact O-CA 3.48Å; V306-F313 HydrophobicContact CB-CD1 4.44Å; V306-F313 HydrophobicContact CB-CD2 4.28Å; V306-F313 HydrophobicContact CB-CE1 3.92Å; V306-F313 HydrophobicContact CB-CE2 3.73Å; V306-F313 HydrophobicContact CB-CZ 3.54Å; V306-F313 HydrophobicContact CG1-CE1 3.98Å; V306-F313 HydrophobicContact CG1-CE2 4.38Å; V306-F313 HydrophobicContact CG1-CZ 3.7Å; V306-F313 HydrophobicContact CG2-CD2 4.49Å; V306-F313 HydrophobicContact CG2-CE2 3.77Å; V306-F313 HydrophobicContact CG2-CZ 3.93Å; V306-F313 PolarHBondContact N-O 3.46Å; V306-F313 PolarHBondContact O-N 3.48Å; V306-Y315 HydrophobicContact CG2-CD1 3.81Å; V306-Y315 HydrophobicContact CG2-CE1 3.79Å; V306-I407 HydrophobicContact CG2-CD1 4.01Å; V306-L439 HydrophobicContact CG1-CD2 3.75Å |
| 307 | E | 97.2 | Very high | 96.5 | Very high | 47 Ų | 47 | 37.9 Ų | 37.9 | 22% | 0.22 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 136.3 | 168.6 | -57.7 | -171.9 | 98.8 | 0 | 0 | 110.5 | T20 Y299 S300 F305 W311 | T20-E307 WeakPolarHBondContact CB-OE1 3.43Å; T20-E307 WeakPolarHBondContact CG2-OE1 3.48Å; Y299-E307 CarbonylContact C-O 3.57Å; Y299-E307 WeakPolarHBondContact CA-O 3.25Å; Y299-E307 WeakPolarHBondContact CB-O 3.1Å; S300-E307 PolarHBondContact N-O 2.86Å; S300-E307 PolarHBondContact O-N 2.62Å; F305-E307 HydrophobicContact CD1-CG 4.07Å; F305-E307 HydrophobicContact CE1-CG 3.21Å; F305-E307 HydrophobicContact CZ-CG 3.53Å; E307-W311 WeakPolarHBondContact CA-O 3.17Å |
| 308 | Y | 97.1 | Very high | 96.8 | Very high | 6 Ų | 6 | 34.3 Ų | 34.3 | 2% | 0.024 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 116.6 | 179.4 | 165.9 | -113.3 | 0 | 0 | 0 | 111.4 | G310 W311 E409 T437 L439 | Y308-G310 PolarHBondContact O-N 3.15Å; Y308-W311 AromaticContact CD1-CD1 3.77Å; Y308-W311 PolarHBondContact N-O 3.06Å; Y308-W311 WeakPolarHBondContact O-CA 3.19Å; Y308-W311 VanDerWaalsContact O-CB 3.29Å; Y308-W311 WeakPolarHBondContact O-CB 3.37Å; Y308-W311 PolarHBondContact O-N 3.3Å; Y308-E409 VanDerWaalsContact CE2-OE1 3.22Å; Y308-E409 WeakPolarHBondContact CE2-OE1 3.33Å; Y308-E409 PolarHBondContact OH-OE1 3.18Å; Y308-T437 PolarHBondContact OH-O 3.31Å; Y308-T437 VanDerWaalsContact OH-O 3.1Å; Y308-T437 PolarHBondContact OH-OG1 3.44Å; Y308-L439 HydrophobicContact CD1-CB 3.35Å; Y308-L439 HydrophobicContact CD1-CD2 4.18Å; Y308-L439 HydrophobicContact CD1-CG 4.27Å; Y308-L439 HydrophobicContact CD2-CB 4.35Å; Y308-L439 HydrophobicContact CE1-CB 3.61Å; Y308-L439 HydrophobicContact CG-CB 3.76Å; Y308-L439 HydrophobicContact CG-CD1 4.32Å; Y308-L439 HydrophobicContact CG-CD2 4.09Å; Y308-L439 HydrophobicContact CG-CG 4.28Å |
| 309 | A | 94.1 | Very high | 96.9 | Very high | 82 Ų | 82 | 28.8 Ų | 28.8 | 68% | 0.678 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | -111.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 310 | G | 94.8 | Very high | 97 | Very high | 12 Ų | 12 | 28.2 Ų | 28.2 | 12% | 0.124 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -12.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y308 F330 N331 | Y308-G310 PolarHBondContact O-N 3.15Å; G310-F330 CarbonylContact O-C 3.57Å; G310-F330 VanDerWaalsContact O-CA 3.26Å; G310-F330 WeakPolarHBondContact O-CA 3.43Å; G310-N331 WeakPolarHBondContact CA-OD1 3.46Å; G310-N331 PolarHBondContact O-N 3.33Å |
| 311 | W | 98.2 | Very high | 97.1 | Very high | 3 Ų | 3 | 25.3 Ų | 25.3 | 1% | 0.011 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 141.6 | -173.6 | -63 | 102.5 | 0 | 0 | 0 | 113 | E307 Y308 L328 R329 F330 I335 F458 Y459 G462 V463 V464 | E307-W311 WeakPolarHBondContact CA-O 3.17Å; Y308-W311 AromaticContact CD1-CD1 3.77Å; Y308-W311 PolarHBondContact N-O 3.06Å; Y308-W311 WeakPolarHBondContact O-CA 3.19Å; Y308-W311 VanDerWaalsContact O-CB 3.29Å; Y308-W311 WeakPolarHBondContact O-CB 3.37Å; Y308-W311 PolarHBondContact O-N 3.3Å; W311-L328 HydrophobicContact CE3-CD1 3.59Å; W311-L328 HydrophobicContact CE3-CG 4.29Å; W311-L328 HydrophobicContact CZ3-CD1 3.73Å; W311-L328 HydrophobicContact CZ3-CD2 4.2Å; W311-L328 HydrophobicContact CZ3-CG 3.99Å; W311-R329 WeakPolarHBondContact CA-O 3.2Å; W311-F330 AromaticContact CD2-CD2 3.64Å; W311-F330 HydrophobicContact CD2-CD2 3.64Å; W311-F330 HydrophobicContact CD2-CE2 4.28Å; W311-F330 AromaticContact CE2-CD2 3.5Å; W311-F330 AromaticContact CE2-CE2 3.83Å; W311-F330 HydrophobicContact CE3-CB 4.28Å; W311-F330 AromaticContact CE3-CD2 3.93Å; W311-F330 HydrophobicContact CE3-CD2 3.93Å; W311-F330 HydrophobicContact CG-CD2 4.16Å; W311-F330 AromaticContact CH2-CD2 3.98Å; W311-F330 HydrophobicContact CH2-CD2 3.98Å; W311-F330 AromaticContact CZ2-CD2 3.72Å; W311-F330 HydrophobicContact CZ2-CD2 3.72Å; W311-F330 HydrophobicContact CZ2-CE2 4.15Å; W311-F330 HydrophobicContact CZ3-CB 4.14Å; W311-F330 HydrophobicContact CZ3-CD2 4.09Å; W311-F330 AromaticContact NE1-CD2 3.89Å; W311-F330 AromaticContact NE1-CE2 3.77Å; W311-I335 HydrophobicContact CH2-CD1 4.11Å; W311-I335 HydrophobicContact CZ3-CD1 3.72Å; W311-F458 HydrophobicContact CD2-CB 4.09Å; W311-F458 HydrophobicContact CD2-CD1 4.07Å; W311-F458 HydrophobicContact CE3-CD1 4.16Å; W311-F458 HydrophobicContact CG-CB 3.97Å; W311-F458 HydrophobicContact CG-CD1 4.44Å; W311-Y459 WeakPolarHBondContact CZ2-O 3.22Å; W311-Y459 PolarHBondContact NE1-O 2.97Å; W311-G462 VanDerWaalsContact CH2-C 3.5Å; W311-G462 WeakPolarHBondContact CH2-O 3.4Å; W311-G462 VanDerWaalsContact CZ2-CA 3.4Å; W311-V463 VanDerWaalsContact CZ2-O 3.31Å; W311-V463 WeakPolarHBondContact CZ2-O 3.05Å; W311-V464 HydrophobicContact CE3-CG2 4.42Å; W311-V464 HydrophobicContact CH2-CG2 3.23Å; W311-V464 HydrophobicContact CZ2-CG2 3.83Å; W311-V464 HydrophobicContact CZ3-CG2 3.58Å |
| 312 | S | 97.7 | Very high | 97.2 | Very high | 16 Ų | 16 | 22.8 Ų | 22.8 | 11% | 0.112 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 135.7 | 161.1 | 65.8 | 0 | 0 | 0 | 0 | 109.8 | V306 R329 | V306-S312 VanDerWaalsContact O-CA 3.3Å; V306-S312 WeakPolarHBondContact O-CA 3.48Å; S312-R329 PolarHBondContact N-O 2.97Å; S312-R329 VanDerWaalsContact N-O 3.11Å; S312-R329 PolarHBondContact O-N 3.19Å |
| 313 | F | 98.3 | Very high | 97.4 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.009 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 161.2 | 178.1 | 59.5 | -90.3 | 0 | 0 | 0 | 111.9 | F305 V306 V325 L328 L439 L441 F458 | F305-F313 WeakPolarHBondContact CA-O 3.5Å; F305-F313 VanDerWaalsContact CD2-O 3.27Å; F305-F313 WeakPolarHBondContact CD2-O 3.41Å; V306-F313 HydrophobicContact CB-CD1 4.44Å; V306-F313 HydrophobicContact CB-CD2 4.28Å; V306-F313 HydrophobicContact CB-CE1 3.92Å; V306-F313 HydrophobicContact CB-CE2 3.73Å; V306-F313 HydrophobicContact CB-CZ 3.54Å; V306-F313 HydrophobicContact CG1-CE1 3.98Å; V306-F313 HydrophobicContact CG1-CE2 4.38Å; V306-F313 HydrophobicContact CG1-CZ 3.7Å; V306-F313 HydrophobicContact CG2-CD2 4.49Å; V306-F313 HydrophobicContact CG2-CE2 3.77Å; V306-F313 HydrophobicContact CG2-CZ 3.93Å; V306-F313 PolarHBondContact N-O 3.46Å; V306-F313 PolarHBondContact O-N 3.48Å; F313-V325 HydrophobicContact CB-CG1 3.77Å; F313-V325 HydrophobicContact CD2-CG1 3.86Å; F313-V325 HydrophobicContact CG-CG1 3.97Å; F313-L328 HydrophobicContact CB-CD1 3.95Å; F313-L328 HydrophobicContact CD1-CD1 4.2Å; F313-L328 HydrophobicContact CG-CD1 4.36Å; F313-L439 HydrophobicContact CE1-CD2 4.06Å; F313-L439 HydrophobicContact CZ-CD2 4.06Å; F313-L441 HydrophobicContact CE2-CD2 4.13Å; F313-F458 HydrophobicContact CD1-CD1 4.36Å; F313-F458 AromaticContact CD1-CE1 3.92Å; F313-F458 HydrophobicContact CD1-CE1 3.92Å; F313-F458 HydrophobicContact CD1-CE2 4.41Å; F313-F458 AromaticContact CD1-CZ 3.94Å; F313-F458 HydrophobicContact CD1-CZ 3.94Å; F313-F458 HydrophobicContact CD2-CZ 4.31Å; F313-F458 HydrophobicContact CE1-CD1 4.13Å; F313-F458 AromaticContact CE1-CD2 3.88Å; F313-F458 HydrophobicContact CE1-CD2 3.88Å; F313-F458 AromaticContact CE1-CE1 3.84Å; F313-F458 HydrophobicContact CE1-CE1 3.84Å; F313-F458 AromaticContact CE1-CE2 3.57Å; F313-F458 HydrophobicContact CE1-CE2 3.57Å; F313-F458 HydrophobicContact CE1-CG 4.14Å; F313-F458 AromaticContact CE1-CZ 3.54Å; F313-F458 HydrophobicContact CE1-CZ 3.54Å; F313-F458 HydrophobicContact CE2-CE2 4.12Å; F313-F458 AromaticContact CE2-CZ 3.95Å; F313-F458 HydrophobicContact CE2-CZ 3.95Å; F313-F458 HydrophobicContact CG-CE1 4.46Å; F313-F458 HydrophobicContact CG-CZ 4.31Å; F313-F458 HydrophobicContact CZ-CD2 4.03Å; F313-F458 HydrophobicContact CZ-CE1 4.31Å; F313-F458 AromaticContact CZ-CE2 3.38Å; F313-F458 HydrophobicContact CZ-CE2 3.38Å; F313-F458 AromaticContact CZ-CZ 3.54Å; F313-F458 HydrophobicContact CZ-CZ 3.54Å |
| 314 | A | 98.4 | Very high | 97.7 | Very high | 2 Ų | 2 | 11.7 Ų | 11.7 | 2% | 0.017 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 153.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | A28 F31 N304 V325 F326 | A28-A314 HydrophobicContact CB-CB 3.76Å; F31-A314 HydrophobicContact CB-CB 4.36Å; F31-A314 HydrophobicContact CD2-CB 3.94Å; N304-A314 CarbonylContact O-C 3.59Å; N304-A314 WeakPolarHBondContact O-CA 3.29Å; A314-V325 CarbonylContact O-C 3.59Å; A314-V325 WeakPolarHBondContact O-CA 3.42Å; A314-F326 HydrophobicContact CB-CB 4.26Å; A314-F326 PolarHBondContact N-O 2.88Å; A314-F326 PolarHBondContact O-N 2.88Å |
| 315 | Y | 98.6 | Very high | 97.8 | Very high | 11 Ų | 11 | 11.2 Ų | 11.2 | 4% | 0.043 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 165.8 | 173.4 | 70.9 | -90.8 | 0 | 0 | 0 | 112.4 | R303 N304 V306 Q324 L405 I407 L441 | R303-Y315 PolarHBondContact O-OH 3.49Å; N304-Y315 HydrophobicContact CB-CD1 4.44Å; N304-Y315 HydrophobicContact CB-CE1 4.31Å; N304-Y315 WeakPolarHBondContact CB-O 3.48Å; N304-Y315 PolarHBondContact ND2-O 2.71Å; N304-Y315 WeakPolarHBondContact O-CD1 3.14Å; N304-Y315 PolarHBondContact O-N 2.75Å; V306-Y315 HydrophobicContact CG2-CD1 3.81Å; V306-Y315 HydrophobicContact CG2-CE1 3.79Å; Y315-Q324 VanDerWaalsContact CA-O 3.26Å; Y315-Q324 WeakPolarHBondContact CA-O 3.25Å; Y315-L405 HydrophobicContact CD2-CD1 3.98Å; Y315-L405 HydrophobicContact CE2-CD1 3.87Å; Y315-L405 HydrophobicContact CE2-CD2 3.87Å; Y315-I407 HydrophobicContact CE1-CD1 3.92Å; Y315-L441 HydrophobicContact CD1-CD1 4.37Å; Y315-L441 HydrophobicContact CD2-CD1 4.39Å; Y315-L441 HydrophobicContact CG-CD1 4.23Å; Y315-L441 HydrophobicContact CG-CD2 4.24Å |
| 316 | R | 98.4 | Very high | 97.9 | Very high | 3 Ų | 3 | 10.6 Ų | 10.6 | 1% | 0.011 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 165.7 | 166.2 | 66.3 | 171.4 | -64.8 | -160.6 | -0.1 | 110.8 | F31 D33 L72 Q324 F326 | F31-R316 WeakPolarHBondContact O-CB 3.5Å; F31-R316 WeakPolarHBondContact O-CD 3.48Å; D33-R316 IonicContact OD1-CZ 2.68Å; D33-R316 IonicContact OD1-NE 2.79Å; D33-R316 PolarHBondContact OD1-NE 3.4Å; D33-R316 IonicContact OD1-NH2 3.15Å; D33-R316 PolarHBondContact OD1-NH2 3.06Å; D33-R316 WeakPolarHBondContact OD2-CB 3.26Å; L72-R316 PolarHBondContact O-NH1 2.7Å; R316-Q324 VanDerWaalsContact CD-OE1 3.3Å; R316-Q324 HydrophobicContact CG-CB 3.91Å; R316-Q324 HydrophobicContact CG-CG 4.3Å; R316-Q324 PolarHBondContact N-O 2.82Å; R316-Q324 PolarHBondContact O-N 3.04Å; R316-F326 HydrophobicContact CG-CD2 4.24Å; R316-F326 HydrophobicContact CG-CE2 3.65Å |
| 317 | V | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 11.2 Ų | 11.2 | 1% | 0.006 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 96.7 | 172.1 | -174.8 | 0 | 0 | 0 | 0 | 108.1 | D33 S319 L323 T371 L389 L405 | D33-V317 PolarHBondContact OD2-N 3.34Å; V317-S319 PolarHBondContact O-N 3.28Å; V317-L323 HydrophobicContact CG2-CD1 3.74Å; V317-T371 HydrophobicContact CG1-CG2 3.88Å; V317-L389 HydrophobicContact CB-CD1 3.81Å; V317-L389 HydrophobicContact CB-CD2 4.41Å; V317-L389 HydrophobicContact CG1-CD1 3.98Å; V317-L389 HydrophobicContact CG2-CD1 3.7Å; V317-L389 HydrophobicContact CG2-CD2 4.19Å; V317-L405 HydrophobicContact CG2-CD1 3.71Å |
| 318 | R | 98.7 | Very high | 97.9 | Very high | 21 Ų | 21 | 9 Ų | 9 | 8% | 0.079 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 115.5 | -176.6 | 179 | -179.6 | 177.2 | -135.6 | -1.8 | 109.7 | E71 S320 A321 G322 | E71-R318 IonicContact OE1-CZ 2.97Å; E71-R318 IonicContact OE1-NE 3.1Å; E71-R318 PolarHBondContact OE1-NE 2.9Å; E71-R318 IonicContact OE1-NH2 2.71Å; E71-R318 PolarHBondContact OE1-NH2 2.91Å; E71-R318 VanDerWaalsContact OE2-CG 3.24Å; E71-R318 WeakPolarHBondContact OE2-CG 3.09Å; E71-R318 IonicContact OE2-NE 2.67Å; R318-S320 PolarHBondContact NE-OG 3.31Å; R318-S320 PolarHBondContact NH1-OG 2.82Å; R318-S320 PolarHBondContact NH2-OG 3.47Å; R318-S320 PolarHBondContact O-N 3.23Å; R318-A321 CarbonylContact O-C 3.58Å; R318-A321 PolarHBondContact O-N 3.26Å; R318-G322 PolarHBondContact N-O 3.34Å; R318-G322 PolarHBondContact O-N 3.31Å |
| 319 | S | 98.7 | Very high | 97.9 | Very high | 5 Ų | 5 | 9.5 Ų | 9.5 | 4% | 0.035 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -43.9 | -44.3 | -179.6 | -56.1 | 0 | 0 | 0 | 0 | 114 | V317 A321 A366 G368 T369 H391 | V317-S319 PolarHBondContact O-N 3.28Å; S319-A321 VanDerWaalsContact C-N 3.31Å; S319-A321 PolarHBondContact O-N 2.71Å; S319-A366 CarbonylContact O-C 3.54Å; S319-G368 CarbonylContact O-C 3.54Å; S319-G368 WeakPolarHBondContact O-CA 3.46Å; S319-G368 PolarHBondContact O-N 3.04Å; S319-G368 VanDerWaalsContact O-N 3.12Å; S319-T369 PolarHBondContact O-N 2.86Å; S319-H391 PolarHBondContact OG-ND1 3.03Å |
| 320 | S | 98.2 | Very high | 98.1 | Very high | 3 Ų | 3 | 5.8 Ų | 5.8 | 2% | 0.021 | 3% | 0.032 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -18.7 | -178.8 | 75.8 | 0 | 0 | 0 | 0 | 115.9 | E71 R318 | E71-S320 WeakPolarHBondContact OE2-CB 3.42Å; E71-S320 PolarHBondContact OE2-N 3.01Å; E71-S320 PolarHBondContact OE2-OG 3.11Å; R318-S320 PolarHBondContact NE-OG 3.31Å; R318-S320 PolarHBondContact NH1-OG 2.82Å; R318-S320 PolarHBondContact NH2-OG 3.47Å; R318-S320 PolarHBondContact O-N 3.23Å |
| 321 | A | 97.2 | Very high | 98.1 | Very high | 1 Ų | 1 | 10.1 Ų | 10.1 | 1% | 0.008 | 5% | 0.052 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -144.3 | -45.6 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115 | R318 S319 L341 M367 | R318-A321 CarbonylContact O-C 3.58Å; R318-A321 PolarHBondContact O-N 3.26Å; S319-A321 VanDerWaalsContact C-N 3.31Å; S319-A321 PolarHBondContact O-N 2.71Å; A321-L341 WeakPolarHBondContact O-CD2 3.28Å; A321-M367 WeakPolarHBondContact O-CG 2.94Å |
| 322 | G | 98 | Very high | 97.8 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 133.3 | -150.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115 | R318 Q324 | R318-G322 PolarHBondContact N-O 3.34Å; R318-G322 PolarHBondContact O-N 3.31Å; G322-Q324 WeakPolarHBondContact O-CG 3.33Å |
| 323 | L | 98.8 | Very high | 97.7 | Very high | 2 Ų | 2 | 14.9 Ų | 14.9 | 1% | 0.01 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 137.4 | -165.6 | -168.5 | 61.1 | 0 | 0 | 0 | 113.8 | V317 L341 L405 L441 T443 W454 F456 | V317-L323 HydrophobicContact CG2-CD1 3.74Å; L323-L341 PolarHBondContact O-N 2.89Å; L323-L405 HydrophobicContact CD1-CD1 3.83Å; L323-L441 HydrophobicContact CD1-CD2 4.03Å; L323-L441 HydrophobicContact CD1-CG 4.3Å; L323-L441 HydrophobicContact CD2-CD2 4.35Å; L323-L441 HydrophobicContact CD2-CG 4.31Å; L323-L441 HydrophobicContact CG-CD2 4.46Å; L323-T443 HydrophobicContact CB-CG2 3.78Å; L323-T443 HydrophobicContact CD1-CG2 4.24Å; L323-T443 HydrophobicContact CD2-CG2 4.08Å; L323-T443 HydrophobicContact CG-CG2 4.26Å; L323-W454 HydrophobicContact CD2-CB 4.3Å; L323-F456 HydrophobicContact CB-CE2 4.44Å; L323-F456 HydrophobicContact CD2-CD2 3.6Å; L323-F456 HydrophobicContact CD2-CE2 3.9Å; L323-F456 HydrophobicContact CG-CD2 3.98Å; L323-F456 HydrophobicContact CG-CE2 3.85Å |
| 324 | Q | 98.9 | Very high | 97.6 | Very high | 4 Ų | 4 | 15.7 Ų | 15.7 | 2% | 0.019 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 144.1 | -179.5 | -46.3 | -170.9 | -39.4 | 0 | 0 | 111.3 | Y315 R316 G322 F326 I339 S340 | Y315-Q324 VanDerWaalsContact CA-O 3.26Å; Y315-Q324 WeakPolarHBondContact CA-O 3.25Å; R316-Q324 VanDerWaalsContact CD-OE1 3.3Å; R316-Q324 HydrophobicContact CG-CB 3.91Å; R316-Q324 HydrophobicContact CG-CG 4.3Å; R316-Q324 PolarHBondContact N-O 2.82Å; R316-Q324 PolarHBondContact O-N 3.04Å; G322-Q324 WeakPolarHBondContact O-CG 3.33Å; Q324-F326 HydrophobicContact CB-CD2 4.31Å; Q324-F326 HydrophobicContact CB-CE2 3.54Å; Q324-F326 HydrophobicContact CB-CZ 4.19Å; Q324-F326 HydrophobicContact CG-CE2 4.47Å; Q324-I339 WeakPolarHBondContact CA-O 2.93Å; Q324-S340 VanDerWaalsContact CG-CB 3.49Å |
| 325 | V | 98.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.006 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 135.2 | 174.7 | 175 | 0 | 0 | 0 | 0 | 109.3 | F313 A314 L328 E338 I339 L441 F456 F458 | F313-V325 HydrophobicContact CB-CG1 3.77Å; F313-V325 HydrophobicContact CD2-CG1 3.86Å; F313-V325 HydrophobicContact CG-CG1 3.97Å; A314-V325 CarbonylContact O-C 3.59Å; A314-V325 WeakPolarHBondContact O-CA 3.42Å; V325-L328 HydrophobicContact CG1-CB 4.33Å; V325-L328 HydrophobicContact CG1-CD1 4.37Å; V325-E338 CarbonylContact O-C 3.06Å; V325-E338 WeakPolarHBondContact O-CA 3.42Å; V325-I339 PolarHBondContact N-O 2.9Å; V325-I339 PolarHBondContact O-N 2.94Å; V325-L441 HydrophobicContact CG2-CD2 3.9Å; V325-F456 HydrophobicContact CB-CE1 4.45Å; V325-F456 HydrophobicContact CB-CZ 4.49Å; V325-F456 HydrophobicContact CG2-CB 4.44Å; V325-F456 HydrophobicContact CG2-CD1 3.97Å; V325-F456 HydrophobicContact CG2-CD2 3.73Å; V325-F456 HydrophobicContact CG2-CE1 4.1Å; V325-F456 HydrophobicContact CG2-CE2 3.88Å; V325-F456 HydrophobicContact CG2-CG 3.79Å; V325-F456 HydrophobicContact CG2-CZ 4.05Å; V325-F458 HydrophobicContact CG1-CZ 4.49Å; V325-F458 HydrophobicContact CG2-CZ 4.27Å |
| 326 | F | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 0% | 0.004 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 151.3 | -175.9 | -70.9 | -86.1 | 0 | 0 | 0 | 112.3 | F31 L74 A314 R316 Q324 L328 Y337 E338 | F31-F326 HydrophobicContact CB-CB 4.2Å; F31-F326 HydrophobicContact CB-CD2 4.01Å; F31-F326 HydrophobicContact CB-CG 4.09Å; F31-F326 HydrophobicContact CD1-CB 4.02Å; F31-F326 AromaticContact CD1-CD1 3.68Å; F31-F326 HydrophobicContact CD1-CD1 3.68Å; F31-F326 HydrophobicContact CD1-CD2 4.31Å; F31-F326 HydrophobicContact CD1-CE1 4.23Å; F31-F326 AromaticContact CD1-CG 3.73Å; F31-F326 HydrophobicContact CD1-CG 3.73Å; F31-F326 HydrophobicContact CD2-CB 3.76Å; F31-F326 HydrophobicContact CD2-CG 4.34Å; F31-F326 HydrophobicContact CE1-CB 4.33Å; F31-F326 AromaticContact CE1-CD1 3.84Å; F31-F326 HydrophobicContact CE1-CD1 3.84Å; F31-F326 HydrophobicContact CE1-CG 4.21Å; F31-F326 HydrophobicContact CE2-CB 4.08Å; F31-F326 HydrophobicContact CG-CB 3.72Å; F31-F326 HydrophobicContact CG-CD1 4.24Å; F31-F326 HydrophobicContact CG-CD2 4.23Å; F31-F326 AromaticContact CG-CG 3.8Å; F31-F326 HydrophobicContact CG-CG 3.8Å; F31-F326 HydrophobicContact CZ-CB 4.35Å; F31-F326 HydrophobicContact CZ-CD1 4.5Å; L74-F326 HydrophobicContact CD1-CE1 3.91Å; L74-F326 HydrophobicContact CD1-CZ 3.56Å; L74-F326 HydrophobicContact CD2-CE1 4.3Å; L74-F326 HydrophobicContact CD2-CZ 4.07Å; L74-F326 HydrophobicContact CG-CZ 4.5Å; A314-F326 HydrophobicContact CB-CB 4.26Å; A314-F326 PolarHBondContact N-O 2.88Å; A314-F326 PolarHBondContact O-N 2.88Å; R316-F326 HydrophobicContact CG-CD2 4.24Å; R316-F326 HydrophobicContact CG-CE2 3.65Å; Q324-F326 HydrophobicContact CB-CD2 4.31Å; Q324-F326 HydrophobicContact CB-CE2 3.54Å; Q324-F326 HydrophobicContact CB-CZ 4.19Å; Q324-F326 HydrophobicContact CG-CE2 4.47Å; F326-L328 VanDerWaalsContact C-N 3.26Å; F326-L328 PolarHBondContact O-N 3.01Å; F326-Y337 CarbonylContact C-O 3.41Å; F326-Y337 VanDerWaalsContact CA-O 3.26Å; F326-Y337 WeakPolarHBondContact CA-O 3.49Å; F326-E338 HydrophobicContact CD1-CB 4.02Å; F326-E338 HydrophobicContact CD1-CG 4.12Å; F326-E338 HydrophobicContact CE1-CB 3.82Å; F326-E338 HydrophobicContact CE1-CG 3.51Å; F326-E338 HydrophobicContact CZ-CG 3.86Å |
| 327 | D | 97.4 | Very high | 97.6 | Very high | 13 Ų | 13 | 15.3 Ų | 15.3 | 7% | 0.07 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 46.5 | 50.5 | 178.7 | -166.5 | 33.3 | 0 | 0 | 0 | 112 | F31 L84 R329 R334 Y337 | F31-D327 HydrophobicContact CE2-CB 4.37Å; L84-D327 HydrophobicContact CD1-CB 4.23Å; D327-R329 VanDerWaalsContact CG-NE 3.33Å; D327-R329 WeakPolarHBondContact O-CG 3.23Å; D327-R329 PolarHBondContact O-N 2.76Å; D327-R329 IonicContact OD1-CZ 3.03Å; D327-R329 IonicContact OD1-NE 3.99Å; D327-R329 PolarHBondContact OD1-NE 2.9Å; D327-R329 VanDerWaalsContact OD1-NE 3.07Å; D327-R329 IonicContact OD1-NH2 2.71Å; D327-R329 PolarHBondContact OD1-NH2 2.86Å; D327-R329 IonicContact OD2-CZ 3.4Å; D327-R329 IonicContact OD2-NE 3.04Å; D327-R329 PolarHBondContact OD2-NE 3.16Å; D327-R329 IonicContact OD2-NH2 2.9Å; D327-R329 PolarHBondContact OD2-NH2 3.37Å; D327-R334 IonicContact OD1-CZ 3.32Å; D327-R334 IonicContact OD1-NE 3.25Å; D327-R334 PolarHBondContact OD1-NE 2.89Å; D327-R334 IonicContact OD1-NH2 2.82Å; D327-R334 PolarHBondContact OD1-NH2 3.2Å; D327-R334 IonicContact OD2-NH2 2.75Å; D327-Y337 PolarHBondContact N-O 2.86Å |
| 328 | L | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 117.8 | -178.3 | 177.2 | 67.5 | 0 | 0 | 0 | 109.8 | W311 F313 V325 F326 I335 A336 I339 F458 V464 | W311-L328 HydrophobicContact CE3-CD1 3.59Å; W311-L328 HydrophobicContact CE3-CG 4.29Å; W311-L328 HydrophobicContact CZ3-CD1 3.73Å; W311-L328 HydrophobicContact CZ3-CD2 4.2Å; W311-L328 HydrophobicContact CZ3-CG 3.99Å; F313-L328 HydrophobicContact CB-CD1 3.95Å; F313-L328 HydrophobicContact CD1-CD1 4.2Å; F313-L328 HydrophobicContact CG-CD1 4.36Å; V325-L328 HydrophobicContact CG1-CB 4.33Å; V325-L328 HydrophobicContact CG1-CD1 4.37Å; F326-L328 VanDerWaalsContact C-N 3.26Å; F326-L328 PolarHBondContact O-N 3.01Å; L328-I335 PolarHBondContact O-N 3.14Å; L328-A336 HydrophobicContact CB-CB 4.21Å; L328-A336 HydrophobicContact CD2-CB 4.31Å; L328-A336 PolarHBondContact N-O 2.98Å; L328-A336 PolarHBondContact O-N 3.05Å; L328-I339 HydrophobicContact CD2-CD1 3.83Å; L328-F458 HydrophobicContact CD1-CD1 4.07Å; L328-F458 HydrophobicContact CD1-CE1 3.64Å; L328-V464 HydrophobicContact CD2-CG2 3.75Å |
| 329 | R | 97.8 | Very high | 97.6 | Very high | 16 Ų | 16 | 14.8 Ų | 14.8 | 6% | 0.06 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 152.8 | 179.6 | -47.1 | -178.3 | -177.1 | -144.7 | 6.4 | 111.9 | D85 W311 S312 D327 E333 R334 | D85-R329 IonicContact OD1-NH2 3.61Å; D85-R329 PolarHBondContact OD1-NH2 3.4Å; W311-R329 WeakPolarHBondContact CA-O 3.2Å; S312-R329 PolarHBondContact N-O 2.97Å; S312-R329 VanDerWaalsContact N-O 3.11Å; S312-R329 PolarHBondContact O-N 3.19Å; D327-R329 VanDerWaalsContact CG-NE 3.33Å; D327-R329 WeakPolarHBondContact O-CG 3.23Å; D327-R329 PolarHBondContact O-N 2.76Å; D327-R329 IonicContact OD1-CZ 3.03Å; D327-R329 IonicContact OD1-NE 3.99Å; D327-R329 PolarHBondContact OD1-NE 2.9Å; D327-R329 VanDerWaalsContact OD1-NE 3.07Å; D327-R329 IonicContact OD1-NH2 2.71Å; D327-R329 PolarHBondContact OD1-NH2 2.86Å; D327-R329 IonicContact OD2-CZ 3.4Å; D327-R329 IonicContact OD2-NE 3.04Å; D327-R329 PolarHBondContact OD2-NE 3.16Å; D327-R329 IonicContact OD2-NH2 2.9Å; D327-R329 PolarHBondContact OD2-NH2 3.37Å; R329-E333 CarbonylContact C-O 3.53Å; R329-E333 WeakPolarHBondContact CA-O 3.23Å; R329-E333 WeakPolarHBondContact CB-O 3.38Å; R329-R334 HydrophobicContact CG-CB 4.29Å |
| 330 | F | 97.4 | Very high | 97.6 | Very high | 4 Ų | 4 | 14.6 Ų | 14.6 | 2% | 0.018 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 123.6 | 167 | -167.2 | -84.4 | 0 | 0 | 0 | 109.9 | G310 W311 G332 E333 I335 P460 F692 P696 | G310-F330 CarbonylContact O-C 3.57Å; G310-F330 VanDerWaalsContact O-CA 3.26Å; G310-F330 WeakPolarHBondContact O-CA 3.43Å; W311-F330 AromaticContact CD2-CD2 3.64Å; W311-F330 HydrophobicContact CD2-CD2 3.64Å; W311-F330 HydrophobicContact CD2-CE2 4.28Å; W311-F330 AromaticContact CE2-CD2 3.5Å; W311-F330 AromaticContact CE2-CE2 3.83Å; W311-F330 HydrophobicContact CE3-CB 4.28Å; W311-F330 AromaticContact CE3-CD2 3.93Å; W311-F330 HydrophobicContact CE3-CD2 3.93Å; W311-F330 HydrophobicContact CG-CD2 4.16Å; W311-F330 AromaticContact CH2-CD2 3.98Å; W311-F330 HydrophobicContact CH2-CD2 3.98Å; W311-F330 AromaticContact CZ2-CD2 3.72Å; W311-F330 HydrophobicContact CZ2-CD2 3.72Å; W311-F330 HydrophobicContact CZ2-CE2 4.15Å; W311-F330 HydrophobicContact CZ3-CB 4.14Å; W311-F330 HydrophobicContact CZ3-CD2 4.09Å; W311-F330 AromaticContact NE1-CD2 3.89Å; W311-F330 AromaticContact NE1-CE2 3.77Å; F330-G332 PolarHBondContact O-N 3.04Å; F330-E333 PolarHBondContact N-O 2.96Å; F330-E333 PolarHBondContact O-N 2.68Å; F330-E333 VanDerWaalsContact O-N 3.11Å; F330-I335 HydrophobicContact CB-CD1 3.56Å; F330-P460 WeakPolarHBondContact CZ-O 2.95Å; F330-F692 HydrophobicContact CB-CZ 4.32Å; F330-F692 AromaticContact CD1-CE1 3.77Å; F330-F692 HydrophobicContact CD1-CE1 3.77Å; F330-F692 HydrophobicContact CD1-CE2 4.41Å; F330-F692 AromaticContact CD1-CZ 3.42Å; F330-F692 HydrophobicContact CD1-CZ 3.42Å; F330-F692 VanDerWaalsContact CD1-CZ 3.42Å; F330-F692 HydrophobicContact CE1-CE1 4.28Å; F330-F692 AromaticContact CE1-CZ 3.99Å; F330-F692 HydrophobicContact CE1-CZ 3.99Å; F330-F692 HydrophobicContact CG-CZ 4.07Å; F330-P696 HydrophobicContact CE1-CB 3.56Å; F330-P696 HydrophobicContact CE1-CG 4.07Å; F330-P696 HydrophobicContact CZ-CB 3.99Å; F330-P696 HydrophobicContact CZ-CG 4.25Å |
| 331 | N | 94.6 | Very high | 97.6 | Very high | 102 Ų | 102 | 14.5 Ų | 14.5 | 55% | 0.545 | 8% | 0.083 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50 | 38.4 | -173.1 | -66.6 | -18.6 | 0 | 0 | 0 | 112.9 | G310 E333 | G310-N331 WeakPolarHBondContact CA-OD1 3.46Å; G310-N331 PolarHBondContact O-N 3.33Å; N331-E333 VanDerWaalsContact C-N 3.29Å; N331-E333 PolarHBondContact O-N 3.32Å |
| 332 | G | 92.6 | Very high | 97.7 | Very high | 48 Ų | 48 | 14.6 Ų | 14.6 | 50% | 0.495 | 8% | 0.083 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | -12.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | F330 | F330-G332 PolarHBondContact O-N 3.04Š|
| 333 | E | 94.5 | Very high | 97.7 | Very high | 71 Ų | 71 | 14.6 Ų | 14.6 | 33% | 0.332 | 8% | 0.083 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 127.1 | 173.7 | -66.3 | -170.7 | -157 | 0 | 0 | 110.3 | R329 F330 N331 K581 F691 | R329-E333 CarbonylContact C-O 3.53Å; R329-E333 WeakPolarHBondContact CA-O 3.23Å; R329-E333 WeakPolarHBondContact CB-O 3.38Å; F330-E333 PolarHBondContact N-O 2.96Å; F330-E333 PolarHBondContact O-N 2.68Å; F330-E333 VanDerWaalsContact O-N 3.11Å; N331-E333 VanDerWaalsContact C-N 3.29Å; N331-E333 PolarHBondContact O-N 3.32Å; E333-K581 IonicContact OE1-NZ 3.79Å; E333-K581 PolarHBondContact OE1-NZ 3.01Å; E333-K581 IonicContact OE2-NZ 3.85Å; E333-K581 PolarHBondContact OE2-NZ 3.38Å; E333-F691 HydrophobicContact CB-CE1 4.36Å; E333-F691 HydrophobicContact CB-CZ 4.04Å; E333-F691 WeakPolarHBondContact OE2-CZ 3.23Å |
| 334 | R | 96.3 | Very high | 97.7 | Very high | 19 Ų | 19 | 14.5 Ų | 14.5 | 7% | 0.072 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 138.2 | 175.6 | -174.7 | -178.7 | -64.1 | 116.1 | 3.3 | 111.1 | L81 D85 D327 R329 D510 V512 | L81-R334 VanDerWaalsContact CD2-CZ 3.49Å; D85-R334 IonicContact OD1-CZ 2.74Å; D85-R334 IonicContact OD1-NH1 2.8Å; D85-R334 PolarHBondContact OD1-NH1 3.11Å; D85-R334 IonicContact OD1-NH2 3.97Å; D85-R334 PolarHBondContact OD1-NH2 3.45Å; D85-R334 IonicContact OD2-CZ 2.68Å; D85-R334 IonicContact OD2-NH1 2.88Å; D85-R334 PolarHBondContact OD2-NH1 3.16Å; D85-R334 IonicContact OD2-NH2 3.18Å; D85-R334 PolarHBondContact OD2-NH2 2.87Å; D327-R334 IonicContact OD1-CZ 3.32Å; D327-R334 IonicContact OD1-NE 3.25Å; D327-R334 PolarHBondContact OD1-NE 2.89Å; D327-R334 IonicContact OD1-NH2 2.82Å; D327-R334 PolarHBondContact OD1-NH2 3.2Å; D327-R334 IonicContact OD2-NH2 2.75Å; R329-R334 HydrophobicContact CG-CB 4.29Å; R334-D510 HydrophobicContact CG-CB 4.17Å; R334-D510 VanDerWaalsContact O-O 3.07Å; R334-V512 PolarHBondContact O-N 2.88Å |
| 335 | I | 98.3 | Very high | 97.7 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.005 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | -46.6 | 175.7 | -62.5 | 158.9 | 0 | 0 | 0 | 109.9 | W311 L328 F330 D510 I511 Y583 F691 | W311-I335 HydrophobicContact CH2-CD1 4.11Å; W311-I335 HydrophobicContact CZ3-CD1 3.72Å; L328-I335 PolarHBondContact O-N 3.14Å; F330-I335 HydrophobicContact CB-CD1 3.56Å; I335-D510 CarbonylContact O-C 3.41Å; I335-D510 PolarHBondContact O-N 2.76Å; I335-I511 HydrophobicContact CG2-CD1 4.23Å; I335-I511 WeakPolarHBondContact O-CD1 3.45Å; I335-Y583 HydrophobicContact CB-CE2 4.45Å; I335-Y583 HydrophobicContact CD1-CE1 4.26Å; I335-Y583 HydrophobicContact CD1-CE2 4.08Å; I335-Y583 WeakPolarHBondContact CD1-OH 3.5Å; I335-Y583 HydrophobicContact CG1-CE2 3.78Å; I335-Y583 HydrophobicContact CG2-CD1 3.9Å; I335-Y583 HydrophobicContact CG2-CD2 3.94Å; I335-Y583 HydrophobicContact CG2-CE1 3.83Å; I335-Y583 HydrophobicContact CG2-CE2 3.86Å; I335-Y583 HydrophobicContact CG2-CG 3.96Å; I335-F691 HydrophobicContact CG1-CZ 4.45Å |
| 336 | A | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 138.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | L328 I339 D508 L509 | L328-A336 HydrophobicContact CB-CB 4.21Å; L328-A336 HydrophobicContact CD2-CB 4.31Å; L328-A336 PolarHBondContact N-O 2.98Å; L328-A336 PolarHBondContact O-N 3.05Å; A336-I339 HydrophobicContact CB-CD1 4.08Å; A336-I339 HydrophobicContact CB-CG1 3.85Å; A336-D508 CarbonylContact C-O 3.46Å; A336-D508 VanDerWaalsContact CA-O 3.24Å; A336-D508 WeakPolarHBondContact CA-O 3.32Å; A336-D508 WeakPolarHBondContact CB-O 3.37Å; A336-L509 HydrophobicContact CB-CD2 4.07Å |
| 337 | Y | 98.7 | Very high | 97.6 | Very high | 8 Ų | 8 | 14.9 Ų | 14.9 | 3% | 0.031 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | -41.4 | 169.4 | 174.7 | -100.6 | 0 | 0 | 0 | 110.9 | F31 K77 A80 L81 F326 D327 D508 | F31-Y337 HydrophobicContact CE1-CE2 4.39Å; F31-Y337 HydrophobicContact CZ-CE2 4.1Å; K77-Y337 HydrophobicContact CB-CE1 4.03Å; K77-Y337 HydrophobicContact CD-CD1 3.78Å; K77-Y337 HydrophobicContact CD-CD2 4.46Å; K77-Y337 HydrophobicContact CD-CE1 4.1Å; K77-Y337 HydrophobicContact CD-CG 3.98Å; K77-Y337 HydrophobicContact CG-CD1 3.92Å; K77-Y337 HydrophobicContact CG-CD2 4.06Å; K77-Y337 HydrophobicContact CG-CE1 3.79Å; K77-Y337 HydrophobicContact CG-CE2 3.93Å; K77-Y337 HydrophobicContact CG-CG 4.05Å; A80-Y337 HydrophobicContact CB-CE2 4.15Å; A80-Y337 WeakPolarHBondContact CB-OH 3.2Å; L81-Y337 HydrophobicContact CD2-CD2 3.99Å; L81-Y337 HydrophobicContact CD2-CE2 4.3Å; L81-Y337 HydrophobicContact CG-CD2 4.41Å; L81-Y337 HydrophobicContact CG-CE2 4.41Å; F326-Y337 CarbonylContact C-O 3.41Å; F326-Y337 VanDerWaalsContact CA-O 3.26Å; F326-Y337 WeakPolarHBondContact CA-O 3.49Å; D327-Y337 PolarHBondContact N-O 2.86Å; Y337-D508 WeakPolarHBondContact CD1-OD2 3.33Å; Y337-D508 PolarHBondContact N-O 2.88Å |
| 338 | E | 98.9 | Very high | 97.6 | Very high | 10 Ų | 10 | 15 Ų | 15 | 5% | 0.047 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 134.3 | -178 | 179.2 | -177.4 | 172.8 | 0 | 0 | 110.4 | V325 F326 S340 K506 D508 | V325-E338 CarbonylContact O-C 3.06Å; V325-E338 WeakPolarHBondContact O-CA 3.42Å; F326-E338 HydrophobicContact CD1-CB 4.02Å; F326-E338 HydrophobicContact CD1-CG 4.12Å; F326-E338 HydrophobicContact CE1-CB 3.82Å; F326-E338 HydrophobicContact CE1-CG 3.51Å; F326-E338 HydrophobicContact CZ-CG 3.86Å; E338-S340 VanDerWaalsContact OE1-CB 3.28Å; E338-S340 WeakPolarHBondContact OE1-CB 3.4Å; E338-S340 PolarHBondContact OE1-OG 3.07Å; E338-K506 IonicContact OE1-NZ 3.26Å; E338-K506 WeakPolarHBondContact OE2-CE 3.36Å; E338-K506 IonicContact OE2-NZ 3.83Å; E338-K506 PolarHBondContact OE2-NZ 2.9Å; E338-D508 HydrophobicContact CB-CB 4.02Å; E338-D508 PolarHBondContact O-N 2.79Å |
| 339 | I | 98.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 117.6 | 160.4 | -47 | 172.9 | 0 | 0 | 0 | 107.3 | Q324 V325 L328 A336 F456 V466 K506 V507 F684 L686 | Q324-I339 WeakPolarHBondContact CA-O 2.93Å; V325-I339 PolarHBondContact N-O 2.9Å; V325-I339 PolarHBondContact O-N 2.94Å; L328-I339 HydrophobicContact CD2-CD1 3.83Å; A336-I339 HydrophobicContact CB-CD1 4.08Å; A336-I339 HydrophobicContact CB-CG1 3.85Å; I339-F456 HydrophobicContact CB-CE1 3.83Å; I339-F456 HydrophobicContact CB-CZ 4.18Å; I339-F456 HydrophobicContact CD1-CE1 4.48Å; I339-F456 HydrophobicContact CG2-CE1 3.58Å; I339-F456 HydrophobicContact CG2-CZ 3.95Å; I339-V466 HydrophobicContact CG2-CG2 4.13Å; I339-K506 CarbonylContact C-O 3.12Å; I339-K506 VanDerWaalsContact CA-O 3.31Å; I339-K506 WeakPolarHBondContact CA-O 3.4Å; I339-V507 HydrophobicContact CG1-CG1 4.26Å; I339-V507 HydrophobicContact CG2-CG2 4.28Å; I339-F684 HydrophobicContact CG2-CZ 4.24Å; I339-L686 HydrophobicContact CD1-CD1 3.49Å; I339-L686 VanDerWaalsContact CD1-CD1 3.49Å; I339-L686 HydrophobicContact CG1-CD1 4.45Å |
| 340 | S | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 139.4 | -170.6 | 57.2 | 0 | 0 | 0 | 0 | 113.6 | Q324 E338 Q342 Y505 K506 | Q324-S340 VanDerWaalsContact CG-CB 3.49Å; E338-S340 VanDerWaalsContact OE1-CB 3.28Å; E338-S340 WeakPolarHBondContact OE1-CB 3.4Å; E338-S340 PolarHBondContact OE1-OG 3.07Å; S340-Q342 PolarHBondContact OG-NE2 3.2Å; S340-Y505 WeakPolarHBondContact O-CA 3.45Å; S340-K506 PolarHBondContact N-O 3.15Å; S340-K506 PolarHBondContact O-N 3.37Å |
| 341 | L | 98.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 132.8 | 165.3 | 178.7 | 60.6 | 0 | 0 | 0 | 109.3 | A321 L323 M367 W454 I503 Y505 | A321-L341 WeakPolarHBondContact O-CD2 3.28Å; L323-L341 PolarHBondContact O-N 2.89Å; L341-M367 HydrophobicContact CD2-SD 3.98Å; L341-W454 HydrophobicContact CD1-CE3 4.39Å; L341-W454 HydrophobicContact CD1-CH2 4.07Å; L341-W454 HydrophobicContact CD1-CZ3 3.87Å; L341-W454 HydrophobicContact CD2-CD2 3.85Å; L341-W454 HydrophobicContact CD2-CE3 3.97Å; L341-W454 HydrophobicContact CD2-CH2 3.88Å; L341-W454 HydrophobicContact CD2-CZ2 3.72Å; L341-W454 HydrophobicContact CD2-CZ3 3.98Å; L341-I503 HydrophobicContact CD1-CG2 3.52Å; L341-Y505 HydrophobicContact CB-CD1 4.46Å; L341-Y505 HydrophobicContact CB-CE1 4.17Å; L341-Y505 HydrophobicContact CD1-CE1 4.08Å |
| 342 | Q | 98.8 | Very high | 97.8 | Very high | 4 Ų | 4 | 12.4 Ų | 12.4 | 2% | 0.019 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | -41.7 | -178 | -64.5 | -66.1 | -49.6 | 0 | 0 | 112.8 | S340 H504 K506 S624 W658 | S340-Q342 PolarHBondContact OG-NE2 3.2Å; Q342-H504 HydrophobicContact CB-CB 4.27Å; Q342-H504 WeakPolarHBondContact CB-O 3.42Å; Q342-H504 PolarHBondContact N-O 2.89Å; Q342-K506 HydrophobicContact CG-CB 3.78Å; Q342-S624 VanDerWaalsContact CB-OG 3.25Å; Q342-S624 WeakPolarHBondContact CB-OG 3.41Å; Q342-W658 HydrophobicContact CG-CZ3 4.18Å |
| 343 | E | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.5 | 154.6 | -178 | -170.3 | 56.2 | -84.6 | 0 | 0 | 111 | I345 I361 D362 A363 M367 I503 H504 W607 S625 | E343-I345 HydrophobicContact CG-CG2 3.97Å; E343-I361 VanDerWaalsContact CD-CG2 3.4Å; E343-I361 HydrophobicContact CG-CG2 4.06Å; E343-I361 WeakPolarHBondContact OE2-CG2 3.41Å; E343-D362 PolarHBondContact OE1-N 2.96Å; E343-A363 WeakPolarHBondContact OE1-CB 3.3Å; E343-A363 PolarHBondContact OE1-N 3.15Å; E343-A363 WeakPolarHBondContact OE2-CB 3.5Å; E343-M367 WeakPolarHBondContact OE1-CE 3.32Å; E343-I503 WeakPolarHBondContact O-CA 3.24Å; E343-H504 HydrophobicContact CB-CB 4.38Å; E343-H504 PolarHBondContact N-O 3.01Å; E343-H504 PolarHBondContact O-N 3.36Å; E343-W607 HydrophobicContact CB-CH2 4.45Å; E343-W607 HydrophobicContact CB-CZ2 3.84Å; E343-W607 HydrophobicContact CG-CH2 4.28Å; E343-W607 HydrophobicContact CG-CZ2 3.51Å; E343-S625 WeakPolarHBondContact OE2-CB 3.12Å; E343-S625 PolarHBondContact OE2-OG 2.8Å |
| 344 | A | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.038 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 137.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | D362 M367 W454 L502 I503 | A344-D362 HydrophobicContact CB-CB 4.31Å; A344-D362 PolarHBondContact O-N 3.08Å; A344-M367 HydrophobicContact CB-CE 3.93Å; A344-M367 HydrophobicContact CB-SD 4.08Å; A344-W454 HydrophobicContact CB-CH2 4Å; A344-W454 HydrophobicContact CB-CZ2 4.46Å; A344-L502 CarbonylContact C-O 3.49Å; A344-L502 WeakPolarHBondContact CA-O 3.42Å; A344-I503 HydrophobicContact CB-CG1 4.32Å |
| 345 | I | 98.2 | Very high | 98.3 | Very high | 1 Ų | 1 | 5.9 Ų | 5.9 | 1% | 0.005 | 4% | 0.035 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 148.7 | 177.2 | 74.4 | 177.5 | 0 | 0 | 0 | 110.7 | E343 F347 Y360 I361 H501 L502 V594 I605 W607 | E343-I345 HydrophobicContact CG-CG2 3.97Å; I345-F347 HydrophobicContact CB-CD1 3.76Å; I345-F347 HydrophobicContact CB-CE1 3.67Å; I345-F347 HydrophobicContact CD1-CD1 3.75Å; I345-F347 HydrophobicContact CD1-CE1 3.75Å; I345-F347 HydrophobicContact CD1-CG 4.21Å; I345-F347 HydrophobicContact CD1-CZ 4.19Å; I345-F347 HydrophobicContact CG1-CD1 3.94Å; I345-F347 HydrophobicContact CG1-CE1 4.12Å; I345-F347 HydrophobicContact CG2-CE1 4.07Å; I345-Y360 WeakPolarHBondContact CA-O 3.36Å; I345-Y360 WeakPolarHBondContact CB-O 3.42Å; I345-I361 HydrophobicContact CG2-CB 4.49Å; I345-I361 HydrophobicContact CG2-CG1 4.15Å; I345-I361 HydrophobicContact CG2-CG2 4.5Å; I345-H501 WeakPolarHBondContact O-CA 3.37Å; I345-L502 HydrophobicContact CD1-CB 3.85Å; I345-L502 HydrophobicContact CD1-CD1 4Å; I345-L502 HydrophobicContact CD1-CG 4.19Å; I345-L502 HydrophobicContact CG1-CB 3.72Å; I345-L502 HydrophobicContact CG1-CG 4.4Å; I345-L502 PolarHBondContact N-O 3.41Å; I345-L502 PolarHBondContact O-N 2.83Å; I345-L502 VanDerWaalsContact O-N 3.14Å; I345-V594 HydrophobicContact CD1-CG1 4.24Å; I345-I605 HydrophobicContact CD1-CD1 3.92Å; I345-I605 HydrophobicContact CG2-CG2 4.23Å; I345-W607 HydrophobicContact CB-CH2 4.45Å; I345-W607 HydrophobicContact CD1-CH2 3.91Å; I345-W607 HydrophobicContact CD1-CZ2 4.43Å; I345-W607 HydrophobicContact CG1-CH2 4.04Å; I345-W607 HydrophobicContact CG2-CH2 3.66Å; I345-W607 HydrophobicContact CG2-CZ2 3.55Å |
| 346 | A | 97.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 10 Ų | 10 | 2% | 0.017 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 107.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | Y348 Y360 T500 | A346-Y348 HydrophobicContact CB-CE2 3.6Å; A346-Y348 WeakPolarHBondContact O-CD2 3.38Å; A346-Y348 WeakPolarHBondContact O-CE2 3.33Å; A346-Y360 PolarHBondContact N-O 3.11Å; A346-Y360 VanDerWaalsContact N-O 3.12Å; A346-Y360 PolarHBondContact O-N 3Å; A346-T500 WeakPolarHBondContact CA-O 3.36Å |
| 347 | F | 97.3 | Very high | 98.2 | Very high | 10 Ų | 10 | 11 Ų | 11 | 4% | 0.044 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 113.7 | -173.2 | -88.1 | 39.4 | 0 | 0 | 0 | 109.5 | I345 K359 Y360 I361 H499 T500 V594 L595 I605 | I345-F347 HydrophobicContact CB-CD1 3.76Å; I345-F347 HydrophobicContact CB-CE1 3.67Å; I345-F347 HydrophobicContact CD1-CD1 3.75Å; I345-F347 HydrophobicContact CD1-CE1 3.75Å; I345-F347 HydrophobicContact CD1-CG 4.21Å; I345-F347 HydrophobicContact CD1-CZ 4.19Å; I345-F347 HydrophobicContact CG1-CD1 3.94Å; I345-F347 HydrophobicContact CG1-CE1 4.12Å; I345-F347 HydrophobicContact CG2-CE1 4.07Å; F347-K359 HydrophobicContact CD1-CB 3.94Å; F347-K359 HydrophobicContact CD2-CB 4.11Å; F347-K359 HydrophobicContact CD2-CG 3.96Å; F347-K359 HydrophobicContact CE1-CB 3.75Å; F347-K359 HydrophobicContact CE2-CB 3.94Å; F347-K359 HydrophobicContact CE2-CD 4.41Å; F347-K359 HydrophobicContact CE2-CG 4.05Å; F347-K359 HydrophobicContact CG-CB 4.11Å; F347-K359 HydrophobicContact CG-CG 4.21Å; F347-K359 HydrophobicContact CZ-CB 3.75Å; F347-K359 HydrophobicContact CZ-CG 4.38Å; F347-Y360 WeakPolarHBondContact CE1-O 3.25Å; F347-I361 HydrophobicContact CE1-CG1 3.99Å; F347-I361 HydrophobicContact CZ-CD1 4.47Å; F347-I361 HydrophobicContact CZ-CG1 4.33Å; F347-H499 CarbonylContact O-C 3.57Å; F347-H499 WeakPolarHBondContact O-CA 3.36Å; F347-H499 VanDerWaalsContact O-CB 3.24Å; F347-H499 WeakPolarHBondContact O-CB 3.17Å; F347-T500 PolarHBondContact N-O 3.04Å; F347-T500 VanDerWaalsContact N-O 3.12Å; F347-T500 PolarHBondContact O-N 2.92Å; F347-V594 HydrophobicContact CB-CG2 3.59Å; F347-V594 HydrophobicContact CD2-CG1 3.97Å; F347-V594 HydrophobicContact CD2-CG2 3.96Å; F347-V594 HydrophobicContact CE2-CG1 4.4Å; F347-V594 HydrophobicContact CG-CG1 4.5Å; F347-V594 HydrophobicContact CG-CG2 4.11Å; F347-L595 HydrophobicContact CD2-CD1 4.05Å; F347-L595 HydrophobicContact CD2-CG 3.99Å; F347-L595 HydrophobicContact CE2-CD1 3.57Å; F347-L595 HydrophobicContact CE2-CG 3.98Å; F347-I605 HydrophobicContact CD2-CD1 4.21Å; F347-I605 HydrophobicContact CE1-CD1 4.34Å; F347-I605 HydrophobicContact CE2-CD1 3.33Å; F347-I605 HydrophobicContact CE2-CG1 4.31Å; F347-I605 HydrophobicContact CZ-CD1 3.42Å; F347-I605 VanDerWaalsContact CZ-CD1 3.42Å; F347-I605 HydrophobicContact CZ-CG1 4.14Å; F347-I605 HydrophobicContact CZ-CG2 4.14Å |
| 348 | Y | 98.2 | Very high | 98.2 | Very high | 16 Ų | 16 | 10.7 Ų | 10.7 | 6% | 0.063 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 161.4 | -171 | -66.3 | -97.4 | 0 | 0 | 0 | 112.6 | A346 T358 Y360 Y450 H475 N497 L498 H499 | A346-Y348 HydrophobicContact CB-CE2 3.6Å; A346-Y348 WeakPolarHBondContact O-CD2 3.38Å; A346-Y348 WeakPolarHBondContact O-CE2 3.33Å; Y348-T358 HydrophobicContact CD2-CG2 3.38Å; Y348-T358 HydrophobicContact CE2-CG2 3.94Å; Y348-T358 HydrophobicContact CG-CG2 4.1Å; Y348-T358 PolarHBondContact N-O 3.31Å; Y348-Y360 HydrophobicContact CD2-CD2 4.45Å; Y348-Y360 AromaticContact CE2-CD2 3.86Å; Y348-Y360 HydrophobicContact CE2-CD2 3.86Å; Y348-Y360 HydrophobicContact CE2-CE2 4.25Å; Y348-Y450 WeakPolarHBondContact OH-CE2 3.41Å; Y348-H475 HydrophobicContact CD1-CB 4.46Å; Y348-H475 AromaticContact CD1-CD2 3.83Å; Y348-H475 HydrophobicContact CE1-CB 3.64Å; Y348-H475 AromaticContact CE1-CD2 3.87Å; Y348-H475 HydrophobicContact CE2-CB 4.4Å; Y348-N497 HydrophobicContact CD1-CB 3.81Å; Y348-L498 CarbonylContact C-O 3.45Å; Y348-L498 WeakPolarHBondContact CA-O 3.24Å; Y348-H499 HydrophobicContact CD1-CB 3.44Å; Y348-H499 VanDerWaalsContact CD1-CB 3.44Å; Y348-H499 AromaticContact CD1-CG 3.75Å; Y348-H499 AromaticContact CD1-ND1 3.84Å; Y348-H499 HydrophobicContact CD2-CB 4.17Å; Y348-H499 HydrophobicContact CE1-CB 3.54Å; Y348-H499 AromaticContact CE1-CD2 3.93Å; Y348-H499 AromaticContact CE1-CE1 3.94Å; Y348-H499 AromaticContact CE1-CG 3.31Å; Y348-H499 AromaticContact CE1-ND1 3.32Å; Y348-H499 VanDerWaalsContact CE1-ND1 3.32Å; Y348-H499 WeakPolarHBondContact CE1-ND1 3.43Å; Y348-H499 HydrophobicContact CE2-CB 4.28Å; Y348-H499 HydrophobicContact CG-CB 3.74Å; Y348-H499 AromaticContact CZ-CD2 3.91Å; Y348-H499 AromaticContact CZ-CG 3.71Å |
| 349 | A | 97.3 | Very high | 98.1 | Very high | 30 Ų | 30 | 11.3 Ų | 11.3 | 25% | 0.248 | 6% | 0.061 | C | C | . | . | trans | -125.6 | 153.7 | 160.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y486 N497 L498 | A349-Y486 HydrophobicContact CB-CD1 3.96Å; A349-N497 PolarHBondContact O-ND2 2.88Å; A349-L498 PolarHBondContact N-O 2.74Å | ||
| 350 | G | 97.5 | Very high | 98.1 | Very high | 5 Ų | 5 | 12 Ų | 12 | 5% | 0.052 | 6% | 0.063 | C | C | . | . | trans | -171.3 | 167.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 351 | D | 97.9 | Very high | 98.1 | Very high | 33 Ų | 33 | 12 Ų | 12 | 18% | 0.176 | 6% | 0.064 | C | C | . | . | S | Bend | trans | -84.3 | -29.8 | 173.1 | -174.4 | 62.8 | 0 | 0 | 0 | 111.8 | M356 T480 N482 Y486 | D351-M356 WeakPolarHBondContact O-CE 3.2Å; D351-T480 PolarHBondContact OD2-OG1 3.3Å; D351-N482 HydrophobicContact CB-CB 4.41Å; D351-N482 VanDerWaalsContact OD1-CB 3.25Å; D351-N482 WeakPolarHBondContact OD1-CB 3.21Å; D351-Y486 HydrophobicContact CB-CD2 4.07Å; D351-Y486 HydrophobicContact CB-CE2 4.33Å |
| 352 | T | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.066 | C | C | . | . | S | Bend | trans | -78.7 | 150.2 | 177.6 | 83.6 | 0 | 0 | 0 | 0 | 111.5 | E217 W236 A354 A355 M356 | E217-T352 WeakPolarHBondContact OE1-CB 3.3Å; E217-T352 PolarHBondContact OE1-OG1 2.78Å; W236-T352 HydrophobicContact CH2-CG2 3.53Å; W236-T352 HydrophobicContact CZ2-CG2 3.84Å; W236-T352 HydrophobicContact CZ3-CG2 4.03Å; T352-A354 VanDerWaalsContact C-N 3.26Å; T352-A354 PolarHBondContact O-N 3.14Å; T352-A355 PolarHBondContact O-N 2.9Å; T352-A355 PolarHBondContact OG1-N 3.19Å; T352-M356 WeakPolarHBondContact O-CG 3.26Å; T352-M356 PolarHBondContact O-N 2.77Å |
| 353 | P | 98.4 | Very high | 98 | Very high | 2 Ų | 2 | 12.4 Ų | 12.4 | 1% | 0.013 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -54.1 | -41.5 | 177.8 | -17.2 | 21.1 | 0 | 0 | 0 | 113.2 | W199 E217 W236 Y241 M356 Q357 | W199-P353 HydrophobicContact CD2-CB 3.56Å; W199-P353 HydrophobicContact CD2-CG 4.48Å; W199-P353 HydrophobicContact CE3-CB 3.89Å; W199-P353 HydrophobicContact CE3-CG 4.36Å; W199-P353 HydrophobicContact CG-CB 4.19Å; W199-P353 HydrophobicContact CH2-CB 3.68Å; W199-P353 HydrophobicContact CH2-CG 3.71Å; W199-P353 HydrophobicContact CZ2-CB 3.33Å; W199-P353 HydrophobicContact CZ2-CG 3.83Å; W199-P353 HydrophobicContact CZ3-CB 3.94Å; W199-P353 HydrophobicContact CZ3-CG 3.99Å; E217-P353 VanDerWaalsContact OE2-CD 3.26Å; E217-P353 WeakPolarHBondContact OE2-CD 3.42Å; W236-P353 HydrophobicContact CB-CG 3.7Å; W236-P353 HydrophobicContact CD2-CG 4.32Å; W236-P353 HydrophobicContact CG-CG 3.61Å; Y241-P353 HydrophobicContact CE1-CB 4.4Å; Y241-P353 HydrophobicContact CE1-CG 3.59Å; Y241-P353 WeakPolarHBondContact OH-CG 3.41Å; P353-M356 WeakPolarHBondContact O-CG 3.36Å; P353-Q357 VanDerWaalsContact O-CB 3.26Å; P353-Q357 WeakPolarHBondContact O-CB 3.43Å; P353-Q357 PolarHBondContact O-N 3.18Å |
| 354 | A | 97.9 | Very high | 98 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -55.6 | -61.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | I186 W199 M201 E217 T352 M356 Q357 T358 | I186-A354 HydrophobicContact CD1-CB 4.1Å; I186-A354 HydrophobicContact CG1-CB 3.66Å; W199-A354 HydrophobicContact CB-CB 4.47Å; M201-A354 HydrophobicContact CB-CB 4.44Å; M201-A354 HydrophobicContact SD-CB 4.46Å; E217-A354 VanDerWaalsContact CD-CB 3.43Å; E217-A354 HydrophobicContact CG-CB 4.5Å; E217-A354 WeakPolarHBondContact OE1-CB 3.32Å; E217-A354 WeakPolarHBondContact OE2-CB 3.42Å; E217-A354 PolarHBondContact OE2-N 2.75Å; T352-A354 VanDerWaalsContact C-N 3.26Å; T352-A354 PolarHBondContact O-N 3.14Å; A354-M356 PolarHBondContact O-N 2.67Å; A354-Q357 WeakPolarHBondContact O-CB 3.46Å; A354-Q357 PolarHBondContact O-N 2.86Å; A354-T358 PolarHBondContact O-N 2.95Å; A354-T358 PolarHBondContact O-OG1 2.61Å |
| 355 | A | 97.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63.7 | -36.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | T352 Q357 T358 T477 N497 | T352-A355 PolarHBondContact O-N 2.9Å; T352-A355 PolarHBondContact OG1-N 3.19Å; A355-Q357 PolarHBondContact O-N 3.39Å; A355-T358 PolarHBondContact O-N 2.85Å; A355-T477 HydrophobicContact CB-CG2 3.6Å; A355-N497 WeakPolarHBondContact CB-ND2 3.18Å |
| 356 | M | 97.4 | Very high | 97.9 | Very high | 87 Ų | 87 | 15 Ų | 15 | 43% | 0.429 | 8% | 0.077 | S | C | . | . | H | α-helix | trans | -70.2 | -25.4 | 177 | 72 | 176.8 | 71.5 | 0 | 0 | 112.7 | D351 T352 P353 A354 K359 | D351-M356 WeakPolarHBondContact O-CE 3.2Å; T352-M356 WeakPolarHBondContact O-CG 3.26Å; T352-M356 PolarHBondContact O-N 2.77Å; P353-M356 WeakPolarHBondContact O-CG 3.36Å; A354-M356 PolarHBondContact O-N 2.67Å; M356-K359 PolarHBondContact O-NZ 2.96Å |
| 357 | Q | 98.1 | Very high | 97.9 | Very high | 22 Ų | 22 | 14.9 Ų | 14.9 | 10% | 0.103 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -80.6 | -34.1 | 175.9 | -173.1 | 63.8 | 19.3 | 0 | 0 | 111.6 | I186 P188 G190 P353 A354 A355 K359 | I186-Q357 HydrophobicContact CG2-CB 4.07Å; I186-Q357 HydrophobicContact CG2-CG 4.18Å; P188-Q357 PolarHBondContact O-NE2 3.42Å; G190-Q357 PolarHBondContact O-NE2 3.24Å; P353-Q357 VanDerWaalsContact O-CB 3.26Å; P353-Q357 WeakPolarHBondContact O-CB 3.43Å; P353-Q357 PolarHBondContact O-N 3.18Å; A354-Q357 WeakPolarHBondContact O-CB 3.46Å; A354-Q357 PolarHBondContact O-N 2.86Å; A355-Q357 PolarHBondContact O-N 3.39Å; Q357-K359 PolarHBondContact O-N 2.72Å; Q357-K359 VanDerWaalsContact O-N 3.12Å; Q357-K359 PolarHBondContact O-NZ 3.46Å |
| 358 | T | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.074 | C | C | . | . | trans | -58 | 109.6 | -171.3 | -48.8 | 0 | 0 | 0 | 0 | 114.4 | I186 A187 Y348 A354 A355 Y360 H475 | I186-T358 HydrophobicContact CG2-CG2 4.35Å; I186-T358 WeakPolarHBondContact CG2-OG1 3.42Å; A187-T358 WeakPolarHBondContact O-CA 3.47Å; Y348-T358 HydrophobicContact CD2-CG2 3.38Å; Y348-T358 HydrophobicContact CE2-CG2 3.94Å; Y348-T358 HydrophobicContact CG-CG2 4.1Å; Y348-T358 PolarHBondContact N-O 3.31Å; A354-T358 PolarHBondContact O-N 2.95Å; A354-T358 PolarHBondContact O-OG1 2.61Å; A355-T358 PolarHBondContact O-N 2.85Å; T358-Y360 HydrophobicContact CG2-CD1 4.21Å; T358-Y360 HydrophobicContact CG2-CD2 3.5Å; T358-Y360 HydrophobicContact CG2-CE1 3.94Å; T358-Y360 HydrophobicContact CG2-CE2 3.18Å; T358-Y360 HydrophobicContact CG2-CG 4Å; T358-Y360 VanDerWaalsContact CG2-CZ 3.41Å; T358-H475 PolarHBondContact OG1-NE2 3.26Å | ||
| 359 | K | 97.9 | Very high | 98 | Very high | 23 Ų | 23 | 14.4 Ų | 14.4 | 10% | 0.1 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 81.9 | 172.8 | -61.2 | 157.5 | -165.7 | 70.3 | 0 | 107.4 | A187 F347 M356 Q357 E601 Q630 | A187-K359 PolarHBondContact O-N 3.13Å; F347-K359 HydrophobicContact CD1-CB 3.94Å; F347-K359 HydrophobicContact CD2-CB 4.11Å; F347-K359 HydrophobicContact CD2-CG 3.96Å; F347-K359 HydrophobicContact CE1-CB 3.75Å; F347-K359 HydrophobicContact CE2-CB 3.94Å; F347-K359 HydrophobicContact CE2-CD 4.41Å; F347-K359 HydrophobicContact CE2-CG 4.05Å; F347-K359 HydrophobicContact CG-CB 4.11Å; F347-K359 HydrophobicContact CG-CG 4.21Å; F347-K359 HydrophobicContact CZ-CB 3.75Å; F347-K359 HydrophobicContact CZ-CG 4.38Å; M356-K359 PolarHBondContact O-NZ 2.96Å; Q357-K359 PolarHBondContact O-N 2.72Å; Q357-K359 VanDerWaalsContact O-N 3.12Å; Q357-K359 PolarHBondContact O-NZ 3.46Å; K359-E601 HydrophobicContact CD-CB 4.25Å; K359-E601 HydrophobicContact CD-CG 4.01Å; K359-Q630 PolarHBondContact O-NE2 3.03Å |
| 360 | Y | 98.5 | Very high | 98 | Very high | 15 Ų | 15 | 13.4 Ų | 13.4 | 6% | 0.059 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 135.8 | -176.6 | -67.8 | -47.5 | 0 | 0 | 0 | 111.3 | D185 I186 A187 I345 A346 F347 Y348 T358 | D185-Y360 PolarHBondContact O-OH 3Å; I186-Y360 WeakPolarHBondContact CD1-OH 3.24Å; A187-Y360 HydrophobicContact CB-CD1 4.36Å; A187-Y360 HydrophobicContact CB-CE1 4.34Å; I345-Y360 WeakPolarHBondContact CA-O 3.36Å; I345-Y360 WeakPolarHBondContact CB-O 3.42Å; A346-Y360 PolarHBondContact N-O 3.11Å; A346-Y360 VanDerWaalsContact N-O 3.12Å; A346-Y360 PolarHBondContact O-N 3Å; F347-Y360 WeakPolarHBondContact CE1-O 3.25Å; Y348-Y360 HydrophobicContact CD2-CD2 4.45Å; Y348-Y360 AromaticContact CE2-CD2 3.86Å; Y348-Y360 HydrophobicContact CE2-CD2 3.86Å; Y348-Y360 HydrophobicContact CE2-CE2 4.25Å; T358-Y360 HydrophobicContact CG2-CD1 4.21Å; T358-Y360 HydrophobicContact CG2-CD2 3.5Å; T358-Y360 HydrophobicContact CG2-CE1 3.94Å; T358-Y360 HydrophobicContact CG2-CE2 3.18Å; T358-Y360 HydrophobicContact CG2-CG 4Å; T358-Y360 VanDerWaalsContact CG2-CZ 3.41Å |
| 361 | I | 98.5 | Very high | 98 | Very high | 2 Ų | 2 | 13.2 Ų | 13.2 | 1% | 0.01 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 91.9 | 178.8 | -57.5 | 177.2 | 0 | 0 | 0 | 105.1 | E343 I345 F347 A363 G364 I605 T629 Q630 P633 | E343-I361 VanDerWaalsContact CD-CG2 3.4Å; E343-I361 HydrophobicContact CG-CG2 4.06Å; E343-I361 WeakPolarHBondContact OE2-CG2 3.41Å; I345-I361 HydrophobicContact CG2-CB 4.49Å; I345-I361 HydrophobicContact CG2-CG1 4.15Å; I345-I361 HydrophobicContact CG2-CG2 4.5Å; F347-I361 HydrophobicContact CE1-CG1 3.99Å; F347-I361 HydrophobicContact CZ-CD1 4.47Å; F347-I361 HydrophobicContact CZ-CG1 4.33Å; I361-A363 VanDerWaalsContact C-N 3.26Å; I361-A363 PolarHBondContact O-N 3.39Å; I361-A363 VanDerWaalsContact O-N 3.16Å; I361-G364 PolarHBondContact O-N 3.39Å; I361-I605 HydrophobicContact CD1-CG2 3.76Å; I361-I605 HydrophobicContact CG1-CG2 4.18Å; I361-T629 HydrophobicContact CD1-CG2 3.99Å; I361-T629 HydrophobicContact CG2-CG2 4.37Å; I361-Q630 HydrophobicContact CB-CB 4.2Å; I361-Q630 PolarHBondContact O-OE1 3.01Å; I361-P633 HydrophobicContact CD1-CB 4.26Å |
| 362 | D | 98.6 | Very high | 98 | Very high | 9 Ų | 9 | 15.1 Ų | 15.1 | 5% | 0.048 | 7% | 0.069 | C | C | . | . | G | 310 helix | trans | -67.7 | -22.8 | -157 | -69.1 | -24.5 | 0 | 0 | 0 | 113.4 | E343 A344 G364 W365 M367 V447 Y452 | E343-D362 PolarHBondContact OE1-N 2.96Å; A344-D362 HydrophobicContact CB-CB 4.31Å; A344-D362 PolarHBondContact O-N 3.08Å; D362-G364 PolarHBondContact O-N 2.93Å; D362-G364 VanDerWaalsContact O-N 3.16Å; D362-W365 WeakPolarHBondContact O-CB 3.21Å; D362-W365 PolarHBondContact O-N 3.27Å; D362-M367 HydrophobicContact CB-CB 4.09Å; D362-M367 HydrophobicContact CB-CE 3.53Å; D362-M367 HydrophobicContact CB-SD 4.09Å; D362-M367 PolarHBondContact O-N 3.38Å; D362-V447 HydrophobicContact CB-CG2 4.21Å; D362-Y452 VanDerWaalsContact OD2-CE2 3.26Å; D362-Y452 WeakPolarHBondContact OD2-CE2 2.95Å |
| 363 | A | 97.4 | Very high | 98 | Very high | 3 Ų | 3 | 15.8 Ų | 15.8 | 3% | 0.025 | 7% | 0.073 | C | C | . | . | G | 310 helix | trans | -61 | -24.3 | 172 | 0 | 0 | 0 | 0 | 0 | 111.9 | E343 I361 W365 A366 M367 I627 | E343-A363 WeakPolarHBondContact OE1-CB 3.3Å; E343-A363 PolarHBondContact OE1-N 3.15Å; E343-A363 WeakPolarHBondContact OE2-CB 3.5Å; I361-A363 VanDerWaalsContact C-N 3.26Å; I361-A363 PolarHBondContact O-N 3.39Å; I361-A363 VanDerWaalsContact O-N 3.16Å; A363-W365 PolarHBondContact O-N 3.07Å; A363-A366 WeakPolarHBondContact O-CA 3.36Å; A363-A366 PolarHBondContact O-N 3.39Å; A363-M367 HydrophobicContact CB-CE 4.28Å; A363-I627 WeakPolarHBondContact O-CA 3.47Å; A363-I627 WeakPolarHBondContact O-CB 3.42Å; A363-I627 WeakPolarHBondContact O-CG2 3.28Å |
| 364 | G | 97.6 | Very high | 98 | Very high | 2 Ų | 2 | 15.7 Ų | 15.7 | 2% | 0.021 | 7% | 0.072 | C | C | . | . | G | 310 helix | trans | -61.3 | -18.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | P140 I361 D362 I627 | P140-G364 WeakPolarHBondContact CB-O 3.4Å; P140-G364 WeakPolarHBondContact CG-O 3.26Å; I361-G364 PolarHBondContact O-N 3.39Å; D362-G364 PolarHBondContact O-N 2.93Å; D362-G364 VanDerWaalsContact O-N 3.16Å; G364-I627 WeakPolarHBondContact CA-O 3.43Å |
| 365 | W | 97.8 | Very high | 98.1 | Very high | 54 Ų | 54 | 16.2 Ų | 16.2 | 21% | 0.205 | 8% | 0.076 | C | C | . | . | G | 310 helix | trans | -104 | 10 | 175.6 | -60.9 | 88.8 | 0 | 0 | 0 | 112.5 | I141 Y146 D362 A363 M367 V447 | I141-W365 HydrophobicContact CG2-CE3 4.31Å; I141-W365 HydrophobicContact CG2-CH2 4.01Å; I141-W365 HydrophobicContact CG2-CZ3 3.75Å; Y146-W365 HydrophobicContact CE2-CZ3 4.27Å; Y146-W365 WeakPolarHBondContact OH-CH2 3.19Å; Y146-W365 WeakPolarHBondContact OH-CZ3 3.41Å; D362-W365 WeakPolarHBondContact O-CB 3.21Å; D362-W365 PolarHBondContact O-N 3.27Å; A363-W365 PolarHBondContact O-N 3.07Å; W365-M367 PolarHBondContact O-N 3.43Å; W365-V447 HydrophobicContact CB-CG1 3.64Å; W365-V447 HydrophobicContact CG-CG1 3.89Å |
| 366 | A | 97.8 | Very high | 98 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 55.9 | -170.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | S319 A363 G368 T369 F393 | S319-A366 CarbonylContact O-C 3.54Å; A363-A366 WeakPolarHBondContact O-CA 3.36Å; A363-A366 PolarHBondContact O-N 3.39Å; A366-G368 PolarHBondContact O-N 3.15Å; A366-T369 HydrophobicContact CB-CG2 4.23Å; A366-T369 PolarHBondContact O-N 3.46Å; A366-T369 PolarHBondContact O-OG1 3.37Å; A366-F393 HydrophobicContact CB-CD1 4.03Å; A366-F393 HydrophobicContact CB-CD2 3.81Å; A366-F393 HydrophobicContact CB-CE1 3.96Å; A366-F393 HydrophobicContact CB-CE2 3.73Å; A366-F393 HydrophobicContact CB-CG 3.95Å; A366-F393 HydrophobicContact CB-CZ 3.81Å |
| 367 | M | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.075 | C | C | . | . | G | 310 helix | trans | -50.8 | -23.3 | -171.8 | 85.5 | 177.5 | 87.2 | 0 | 0 | 115.7 | A321 L341 E343 A344 D362 A363 W365 T369 S370 S445 V447 W454 | A321-M367 WeakPolarHBondContact O-CG 2.94Å; L341-M367 HydrophobicContact CD2-SD 3.98Å; E343-M367 WeakPolarHBondContact OE1-CE 3.32Å; A344-M367 HydrophobicContact CB-CE 3.93Å; A344-M367 HydrophobicContact CB-SD 4.08Å; D362-M367 HydrophobicContact CB-CB 4.09Å; D362-M367 HydrophobicContact CB-CE 3.53Å; D362-M367 HydrophobicContact CB-SD 4.09Å; D362-M367 PolarHBondContact O-N 3.38Å; A363-M367 HydrophobicContact CB-CE 4.28Å; W365-M367 PolarHBondContact O-N 3.43Å; M367-T369 PolarHBondContact O-N 3.02Å; M367-S370 WeakPolarHBondContact O-CB 3.1Å; M367-S370 PolarHBondContact O-N 3.46Å; M367-S370 VanDerWaalsContact O-N 3.15Å; M367-S445 WeakPolarHBondContact O-CB 3.21Å; M367-S445 PolarHBondContact O-OG 2.96Å; M367-V447 HydrophobicContact CB-CG2 3.66Å; M367-W454 HydrophobicContact SD-CZ2 4.06Å |
| 368 | G | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -70.7 | -10.6 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | S319 A366 T371 H391 | S319-G368 CarbonylContact O-C 3.54Å; S319-G368 WeakPolarHBondContact O-CA 3.46Å; S319-G368 PolarHBondContact O-N 3.04Å; S319-G368 VanDerWaalsContact O-N 3.12Å; A366-G368 PolarHBondContact O-N 3.15Å; G368-T371 WeakPolarHBondContact O-CG2 3.47Å; G368-H391 PolarHBondContact O-CE1 3.19Å; G368-H391 PolarHBondContact O-NE2 3.33Å |
| 369 | T | 98 | Very high | 97.8 | Very high | 16 Ų | 16 | 21.8 Ų | 21.8 | 10% | 0.098 | 11% | 0.114 | C | C | . | . | G | 310 helix | trans | -92.2 | -11.6 | 169.7 | 66.9 | 0 | 0 | 0 | 0 | 113 | S319 A366 M367 T371 H391 F393 H401 | S319-T369 PolarHBondContact O-N 2.86Å; A366-T369 HydrophobicContact CB-CG2 4.23Å; A366-T369 PolarHBondContact O-N 3.46Å; A366-T369 PolarHBondContact O-OG1 3.37Å; M367-T369 PolarHBondContact O-N 3.02Å; T369-T371 PolarHBondContact O-N 3.42Å; T369-H391 HydrophobicContact CG2-CB 3.75Å; T369-F393 HydrophobicContact CG2-CB 3.8Å; T369-F393 HydrophobicContact CG2-CG 4.41Å; T369-H401 PolarHBondContact O-CE1 3.01Å |
| 370 | S | 97.9 | Very high | 97.8 | Very high | 9 Ų | 9 | 20.9 Ų | 20.9 | 6% | 0.063 | 11% | 0.11 | C | C | . | . | trans | -83.8 | 26.2 | 176.8 | -54.6 | 0 | 0 | 0 | 0 | 112.6 | M367 Y372 S445 T446 | M367-S370 WeakPolarHBondContact O-CB 3.1Å; M367-S370 PolarHBondContact O-N 3.46Å; M367-S370 VanDerWaalsContact O-N 3.15Å; S370-Y372 PolarHBondContact O-N 3.31Å; S370-S445 WeakPolarHBondContact O-CA 3.3Å; S370-T446 WeakPolarHBondContact CB-O 3.47Å; S370-T446 PolarHBondContact O-N 2.93Å | ||
| 371 | T | 97.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | -89 | 84.5 | 179.3 | 58.6 | 0 | 0 | 0 | 0 | 108.5 | V317 G368 T369 L389 H391 H401 A404 T443 T444 | V317-T371 HydrophobicContact CG1-CG2 3.88Å; G368-T371 WeakPolarHBondContact O-CG2 3.47Å; T369-T371 PolarHBondContact O-N 3.42Å; T371-L389 HydrophobicContact CG2-CD1 4.44Å; T371-H391 PolarHBondContact OG1-NE2 3.27Å; T371-H401 WeakPolarHBondContact O-CB 3.1Å; T371-H401 PolarHBondContact O-ND1 3.12Å; T371-A404 VanDerWaalsContact O-CB 3.3Å; T371-A404 WeakPolarHBondContact O-CB 3.45Å; T371-T443 WeakPolarHBondContact CG2-OG1 3.22Å; T371-T444 VanDerWaalsContact CA-O 3.29Å; T371-T444 WeakPolarHBondContact CA-O 3.33Å; T371-T444 WeakPolarHBondContact CB-O 3.32Å; T371-T444 WeakPolarHBondContact CG2-O 3.47Å | ||
| 372 | Y | 98.3 | Very high | 97.4 | Very high | 73 Ų | 73 | 23.9 Ų | 23.9 | 29% | 0.286 | 13% | 0.127 | S | C | . | . | trans | -82.1 | 179.1 | -178.2 | -59.2 | -63 | 0 | 0 | 0 | 112.6 | S370 L374 T446 Y739 | S370-Y372 PolarHBondContact O-N 3.31Å; Y372-L374 PolarHBondContact O-N 3.48Å; Y372-T446 WeakPolarHBondContact CE2-O 3.11Å; Y372-Y739 AromaticContact CD1-CD1 3.77Å; Y372-Y739 HydrophobicContact CD1-CD1 3.77Å; Y372-Y739 HydrophobicContact CD1-CE1 4.03Å; Y372-Y739 HydrophobicContact CD1-CG 4.45Å; Y372-Y739 AromaticContact CE1-CD1 3.69Å; Y372-Y739 HydrophobicContact CE1-CD1 3.69Å; Y372-Y739 AromaticContact CE1-CE1 3.53Å; Y372-Y739 HydrophobicContact CE1-CE1 3.53Å; Y372-Y739 HydrophobicContact CE1-CG 4.31Å | ||
| 373 | E | 98.6 | Very high | 97.2 | Very high | 14 Ų | 14 | 24.9 Ų | 24.9 | 7% | 0.065 | 13% | 0.132 | C | C | . | . | trans | -62.6 | 121.1 | -175.6 | -173 | 175.6 | -170.3 | 0 | 0 | 111.6 | K402 N403 Y735 N736 G737 | E373-K402 WeakPolarHBondContact CA-O 3.46Å; E373-K402 WeakPolarHBondContact CB-O 3.48Å; E373-K402 WeakPolarHBondContact CG-O 3.26Å; E373-N403 HydrophobicContact CG-CB 3.99Å; E373-N403 PolarHBondContact OE1-ND2 3.16Å; E373-Y735 HydrophobicContact CB-CE2 3.89Å; E373-Y735 HydrophobicContact CG-CD2 4.11Å; E373-Y735 HydrophobicContact CG-CE2 3.82Å; E373-Y735 VanDerWaalsContact O-CE2 3.29Å; E373-Y735 WeakPolarHBondContact O-CE2 3.49Å; E373-Y735 PolarHBondContact O-OH 3.16Å; E373-N736 VanDerWaalsContact CD-N 3.33Å; E373-N736 PolarHBondContact OE1-N 3.06Å; E373-N736 VanDerWaalsContact OE1-N 3.11Å; E373-N736 VanDerWaalsContact OE2-CA 3.29Å; E373-N736 WeakPolarHBondContact OE2-CA 3.19Å; E373-N736 WeakPolarHBondContact OE2-CB 3.34Å; E373-N736 PolarHBondContact OE2-N 3.06Å; E373-G737 PolarHBondContact OE2-N 3.38Å | ||
| 374 | L | 98.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | trans | -77.2 | 128.7 | 172.8 | -59.5 | 168.7 | 0 | 0 | 0 | 109.6 | Y372 P376 D379 F386 N403 C406 T444 | Y372-L374 PolarHBondContact O-N 3.48Å; L374-P376 VanDerWaalsContact O-CD 3.31Å; L374-P376 WeakPolarHBondContact O-CD 3.48Å; L374-D379 WeakPolarHBondContact CA-OD2 3.4Å; L374-D379 HydrophobicContact CB-CB 4.06Å; L374-D379 HydrophobicContact CD2-CB 3.97Å; L374-F386 HydrophobicContact CB-CD1 4.21Å; L374-F386 HydrophobicContact CB-CE1 3.88Å; L374-N403 VanDerWaalsContact CB-O 3.23Å; L374-N403 WeakPolarHBondContact CB-O 3.22Å; L374-N403 VanDerWaalsContact CG-O 3.26Å; L374-N403 WeakPolarHBondContact CG-O 3.4Å; L374-N403 PolarHBondContact N-O 2.78Å; L374-C406 HydrophobicContact CD1-CB 3.96Å; L374-T444 HydrophobicContact CD2-CG2 3.55Å | ||
| 375 | A | 98.3 | Very high | 97.2 | Very high | 10 Ų | 10 | 27.2 Ų | 27.2 | 8% | 0.083 | 15% | 0.146 | C | C | . | . | trans | -80.4 | 114.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | G377 I378 D379 F733 Y735 | A375-G377 PolarHBondContact O-N 3.03Å; A375-I378 HydrophobicContact CB-CB 4.23Å; A375-I378 HydrophobicContact CB-CD1 4.38Å; A375-I378 PolarHBondContact O-N 2.99Å; A375-I378 VanDerWaalsContact O-N 3.15Å; A375-D379 WeakPolarHBondContact CB-OD2 3.2Å; A375-D379 PolarHBondContact N-OD2 3.17Å; A375-D379 PolarHBondContact O-N 3.25Å; A375-F733 HydrophobicContact CB-CE2 4.03Å; A375-F733 HydrophobicContact CB-CZ 4.22Å; A375-Y735 HydrophobicContact CB-CD2 4.04Å; A375-Y735 HydrophobicContact CB-CE2 4.08Å | ||
| 376 | P | 96.8 | Very high | 97.2 | Very high | 26 Ų | 26 | 26.7 Ų | 26.7 | 17% | 0.169 | 15% | 0.146 | C | C | . | . | B | Isolated β-bridge | trans | -62.8 | 132.1 | -179.8 | -21.8 | 34.1 | 0 | 0 | 0 | 112.7 | L374 I378 F386 F733 | L374-P376 VanDerWaalsContact O-CD 3.31Å; L374-P376 WeakPolarHBondContact O-CD 3.48Å; P376-I378 VanDerWaalsContact C-N 3.32Å; P376-F386 HydrophobicContact CB-CE2 3.82Å; P376-F386 HydrophobicContact CB-CZ 3.75Å; P376-F386 HydrophobicContact CG-CD2 4.45Å; P376-F386 HydrophobicContact CG-CE1 4.3Å; P376-F386 HydrophobicContact CG-CE2 3.84Å; P376-F386 HydrophobicContact CG-CZ 3.76Å; P376-F733 WeakPolarHBondContact O-CD2 3.47Å |
| 377 | G | 94.4 | Very high | 97.2 | Very high | 22 Ų | 22 | 28.2 Ų | 28.2 | 23% | 0.227 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.5 | -4.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | A375 C380 E382 | A375-G377 PolarHBondContact O-N 3.03Å; G377-C380 WeakPolarHBondContact CA-O 3.26Å; G377-C380 PolarHBondContact N-O 3.09Å; G377-E382 WeakPolarHBondContact CA-OE1 3.35Å |
| 378 | I | 96.8 | Very high | 97.2 | Very high | 129 Ų | 129 | 30.5 Ų | 30.5 | 66% | 0.662 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -120.1 | -69.8 | 176.6 | -56.5 | 175.2 | 0 | 0 | 0 | 109.2 | A375 P376 F733 | A375-I378 HydrophobicContact CB-CB 4.23Å; A375-I378 HydrophobicContact CB-CD1 4.38Å; A375-I378 PolarHBondContact O-N 2.99Å; A375-I378 VanDerWaalsContact O-N 3.15Å; P376-I378 VanDerWaalsContact C-N 3.32Å; I378-F733 HydrophobicContact CD1-CE2 4.32Å |
| 379 | D | 98.4 | Very high | 97.2 | Very high | 50 Ų | 50 | 31.1 Ų | 31.1 | 27% | 0.267 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -35.3 | -177.3 | -65.5 | -40.4 | 0 | 0 | 0 | 112.1 | L374 A375 R442 | L374-D379 WeakPolarHBondContact CA-OD2 3.4Å; L374-D379 HydrophobicContact CB-CB 4.06Å; L374-D379 HydrophobicContact CD2-CB 3.97Å; A375-D379 WeakPolarHBondContact CB-OD2 3.2Å; A375-D379 PolarHBondContact N-OD2 3.17Å; A375-D379 PolarHBondContact O-N 3.25Å; D379-R442 WeakPolarHBondContact O-CD 3.35Å; D379-R442 PolarHBondContact O-NH1 3.42Å |
| 380 | C | 98.1 | Very high | 97.2 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.02 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -138.8 | 154.3 | 172.9 | -45.9 | 0 | 0 | 0 | 0 | 109.3 | G377 A384 F386 C406 F408 | G377-C380 WeakPolarHBondContact CA-O 3.26Å; G377-C380 PolarHBondContact N-O 3.09Å; C380-A384 HydrophobicContact CB-CB 3.92Å; C380-F386 HydrophobicContact CB-CE1 3.93Å; C380-F386 HydrophobicContact CB-CZ 3.81Å; C380-C406 HydrophobicContact CB-CB 3.74Å; C380-C406 WeakPolarHBondContact CB-SG 3.44Å; C380-C406 WeakPolarHBondContact SG-CB 3.17Å; C380-C406 CovalentContact SG-SG 2.02Å; C380-C406 PolarHBondContact SG-SG 2.94Å; C380-F408 HydrophobicContact CB-CD1 4.18Å; C380-F408 HydrophobicContact CB-CE1 4.08Å |
| 381 | P | 95.9 | Very high | 97.3 | Very high | 23 Ų | 23 | 34 Ų | 34 | 15% | 0.149 | 18% | 0.179 | C | C | . | . | trans | -52.8 | 149.3 | 173.6 | -26.2 | 35.8 | 0 | 0 | 0 | 112.3 | L291 I383 A384 F408 | L291-P381 HydrophobicContact CB-CB 4.35Å; L291-P381 HydrophobicContact CD2-CB 4.08Å; L291-P381 HydrophobicContact CD2-CG 3.86Å; P381-I383 HydrophobicContact CB-CG1 3.83Å; P381-I383 PolarHBondContact O-N 3.14Å; P381-I383 VanDerWaalsContact O-N 3.08Å; P381-A384 WeakPolarHBondContact O-CB 3.13Å; P381-A384 PolarHBondContact O-N 3.27Å; P381-F408 HydrophobicContact CG-CD2 3.61Å; P381-F408 HydrophobicContact CG-CE2 3.76Å; P381-F408 HydrophobicContact CG-CG 4.09Å; P381-F408 HydrophobicContact CG-CZ 4.38Å | ||
| 382 | E | 93 | Very high | 97.3 | Very high | 58 Ų | 58 | 34 Ų | 34 | 27% | 0.271 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -26.7 | -178.7 | -63 | 86 | 168.1 | 0 | 0 | 113 | K290 G377 A384 T729 | K290-E382 WeakPolarHBondContact CD-OE1 3.26Å; K290-E382 VanDerWaalsContact CE-OE1 3.27Å; K290-E382 WeakPolarHBondContact CE-OE1 3.33Å; K290-E382 IonicContact NZ-OE1 2.71Å; K290-E382 PolarHBondContact NZ-OE1 3.33Å; G377-E382 WeakPolarHBondContact CA-OE1 3.35Å; E382-A384 VanDerWaalsContact C-N 3.29Å; E382-T729 HydrophobicContact CB-CG2 3.95Å; E382-T729 HydrophobicContact CG-CG2 4.4Å |
| 383 | I | 93.1 | Very high | 97.3 | Very high | 30 Ų | 30 | 32.5 Ų | 32.5 | 15% | 0.154 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -2.2 | 178.4 | 58.6 | 160.3 | 0 | 0 | 0 | 113.6 | L291 E293 H297 P381 | L291-I383 HydrophobicContact CB-CD1 4.49Å; L291-I383 HydrophobicContact CD2-CD1 3.96Å; L291-I383 HydrophobicContact CG-CD1 3.89Å; E293-I383 HydrophobicContact CB-CD1 4.21Å; E293-I383 HydrophobicContact CG-CD1 3.53Å; H297-I383 PolarHBondContact CE1-O 2.77Å; H297-I383 VanDerWaalsContact CE1-O 3.23Å; P381-I383 HydrophobicContact CB-CG1 3.83Å; P381-I383 PolarHBondContact O-N 3.14Å; P381-I383 VanDerWaalsContact O-N 3.08Å |
| 384 | A | 97 | Very high | 97.2 | Very high | 11 Ų | 11 | 32.9 Ų | 32.9 | 9% | 0.091 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -65.2 | 148.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | C380 P381 E382 F386 C406 F408 | C380-A384 HydrophobicContact CB-CB 3.92Å; P381-A384 WeakPolarHBondContact O-CB 3.13Å; P381-A384 PolarHBondContact O-N 3.27Å; E382-A384 VanDerWaalsContact C-N 3.29Å; A384-F386 HydrophobicContact CB-CD2 4.33Å; A384-F386 HydrophobicContact CB-CE2 3.8Å; A384-F386 HydrophobicContact CB-CZ 4.01Å; A384-F386 VanDerWaalsContact O-CD2 3.32Å; A384-F386 WeakPolarHBondContact O-CD2 3.26Å; A384-F386 PolarHBondContact O-N 3.4Å; A384-C406 HydrophobicContact CB-CB 4.16Å; A384-F408 HydrophobicContact CB-CB 3.76Å; A384-F408 HydrophobicContact CB-CD1 4.13Å; A384-F408 HydrophobicContact CB-CG 4.28Å |
| 385 | T | 97.8 | Very high | 97 | Very high | 42 Ų | 42 | 33.2 Ų | 33.2 | 26% | 0.258 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 110.6 | 164.9 | -59.2 | 0 | 0 | 0 | 0 | 108.5 | Y299 I301 C406 I407 | Y299-T385 PolarHBondContact OH-OG1 2.89Å; Y299-T385 VanDerWaalsContact OH-OG1 3.09Å; I301-T385 HydrophobicContact CD1-CG2 3.67Å; T385-C406 CarbonylContact O-C 3.54Å; T385-C406 WeakPolarHBondContact O-CA 3.35Å; T385-I407 PolarHBondContact N-O 3.19Å; T385-I407 PolarHBondContact O-N 2.82Å |
| 386 | F | 98.1 | Very high | 96.8 | Very high | 43 Ų | 43 | 34.5 Ų | 34.5 | 19% | 0.189 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 141.9 | 175.3 | -66.3 | -89.8 | 0 | 0 | 0 | 111.4 | L374 P376 C380 A384 N403 L405 C406 | L374-F386 HydrophobicContact CB-CD1 4.21Å; L374-F386 HydrophobicContact CB-CE1 3.88Å; P376-F386 HydrophobicContact CB-CE2 3.82Å; P376-F386 HydrophobicContact CB-CZ 3.75Å; P376-F386 HydrophobicContact CG-CD2 4.45Å; P376-F386 HydrophobicContact CG-CE1 4.3Å; P376-F386 HydrophobicContact CG-CE2 3.84Å; P376-F386 HydrophobicContact CG-CZ 3.76Å; C380-F386 HydrophobicContact CB-CE1 3.93Å; C380-F386 HydrophobicContact CB-CZ 3.81Å; A384-F386 HydrophobicContact CB-CD2 4.33Å; A384-F386 HydrophobicContact CB-CE2 3.8Å; A384-F386 HydrophobicContact CB-CZ 4.01Å; A384-F386 VanDerWaalsContact O-CD2 3.32Å; A384-F386 WeakPolarHBondContact O-CD2 3.26Å; A384-F386 PolarHBondContact O-N 3.4Å; F386-N403 HydrophobicContact CB-CB 3.87Å; F386-N403 WeakPolarHBondContact CB-OD1 3.44Å; F386-N403 HydrophobicContact CD1-CB 3.81Å; F386-N403 HydrophobicContact CG-CB 4.11Å; F386-L405 CarbonylContact C-O 3.55Å; F386-L405 WeakPolarHBondContact CA-O 3.15Å; F386-C406 HydrophobicContact CD1-CB 3.76Å; F386-C406 HydrophobicContact CE1-CB 3.8Å; F386-C406 HydrophobicContact CG-CB 4.44Å; F386-C406 HydrophobicContact CZ-CB 4.47Å |
| 387 | V | 98.3 | Very high | 96.8 | Very high | 32 Ų | 32 | 38.3 Ų | 38.3 | 19% | 0.194 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 128.6 | -174.4 | -177.2 | 0 | 0 | 0 | 0 | 109.4 | N403 A404 L405 | V387-N403 CarbonylContact O-C 3.47Å; V387-A404 PolarHBondContact O-N 3.1Å; V387-L405 HydrophobicContact CB-CB 4.33Å; V387-L405 HydrophobicContact CB-CD2 3.87Å; V387-L405 HydrophobicContact CG2-CD2 3.86Å; V387-L405 PolarHBondContact N-O 3.08Å; V387-L405 PolarHBondContact O-N 3.06Å; V387-L405 VanDerWaalsContact O-N 3.14Å |
| 388 | D | 98.3 | Very high | 96.9 | Very high | 49 Ų | 49 | 37.4 Ų | 37.4 | 26% | 0.262 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 139.9 | 171.7 | -68.9 | -3.3 | 0 | 0 | 0 | 110.5 | Y390 R400 H401 K402 N403 | D388-Y390 HydrophobicContact CB-CE2 4.22Å; D388-R400 HydrophobicContact CB-CG 4.38Å; D388-R400 WeakPolarHBondContact OD2-CD 3.23Å; D388-R400 IonicContact OD2-NE 3.31Å; D388-R400 IonicContact OD2-NH1 3.3Å; D388-H401 CarbonylContact C-O 3.13Å; D388-H401 WeakPolarHBondContact CA-O 3.21Å; D388-K402 VanDerWaalsContact OD1-CA 3.26Å; D388-K402 WeakPolarHBondContact OD1-CA 3.49Å; D388-K402 WeakPolarHBondContact OD1-CG 3.39Å; D388-N403 PolarHBondContact OD1-N 3.18Å |
| 389 | L | 98.2 | Very high | 97 | Very high | 13 Ų | 13 | 32.3 Ų | 32.3 | 7% | 0.068 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 157.5 | 172.5 | -61.2 | 178 | 0 | 0 | 0 | 110.9 | V317 T371 H401 A404 L405 | V317-L389 HydrophobicContact CB-CD1 3.81Å; V317-L389 HydrophobicContact CB-CD2 4.41Å; V317-L389 HydrophobicContact CG1-CD1 3.98Å; V317-L389 HydrophobicContact CG2-CD1 3.7Å; V317-L389 HydrophobicContact CG2-CD2 4.19Å; T371-L389 HydrophobicContact CG2-CD1 4.44Å; L389-H401 HydrophobicContact CB-CB 4.49Å; L389-H401 PolarHBondContact N-O 3.43Å; L389-H401 PolarHBondContact O-N 3.23Å; L389-A404 HydrophobicContact CB-CB 3.95Å; L389-A404 HydrophobicContact CD1-CB 3.7Å; L389-A404 HydrophobicContact CG-CB 3.77Å; L389-L405 HydrophobicContact CD1-CB 4.28Å; L389-L405 HydrophobicContact CD2-CB 4.48Å; L389-L405 HydrophobicContact CG-CB 4.42Å |
| 390 | Y | 98.5 | Very high | 97 | Very high | 79 Ų | 79 | 34.4 Ų | 34.4 | 31% | 0.31 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 125.5 | -178.7 | -61 | -92.7 | 0 | 0 | 0 | 110.5 | V36 D388 T399 R400 V742 | V36-Y390 HydrophobicContact CG2-CD1 3.26Å; V36-Y390 HydrophobicContact CG2-CD2 4.45Å; V36-Y390 HydrophobicContact CG2-CE1 3.51Å; V36-Y390 HydrophobicContact CG2-CG 3.78Å; D388-Y390 HydrophobicContact CB-CE2 4.22Å; Y390-T399 VanDerWaalsContact CA-O 3.31Å; Y390-T399 WeakPolarHBondContact CA-O 3.31Å; Y390-R400 HydrophobicContact CD1-CB 3.93Å; Y390-R400 HydrophobicContact CD1-CG 4.11Å; Y390-R400 HydrophobicContact CE1-CB 3.66Å; Y390-R400 HydrophobicContact CE1-CG 3.52Å; Y390-V742 HydrophobicContact CD1-CG2 4Å; Y390-V742 HydrophobicContact CE1-CG2 4Å |
| 391 | H | 98.4 | Very high | 97 | Very high | 5 Ų | 5 | 34.7 Ų | 34.7 | 2% | 0.023 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 152.1 | -176.8 | -60 | -68.5 | 0 | 0 | 0 | 111.2 | S319 G368 T369 T371 P398 T399 H401 | S319-H391 PolarHBondContact OG-ND1 3.03Å; G368-H391 PolarHBondContact O-CE1 3.19Å; G368-H391 PolarHBondContact O-NE2 3.33Å; T369-H391 HydrophobicContact CG2-CB 3.75Å; T371-H391 PolarHBondContact OG1-NE2 3.27Å; H391-P398 CarbonylContact O-C 3.58Å; H391-T399 PolarHBondContact N-O 3.3Å; H391-T399 PolarHBondContact O-N 3.37Å; H391-H401 AromaticContact CD2-CD2 3.6Å; H391-H401 AromaticContact CD2-CG 3.98Å; H391-H401 AromaticContact CD2-NE2 3.91Å |
| 392 | Y | 98.4 | Very high | 97.1 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 92.5 | 170.1 | -166.3 | -66.7 | 0 | 0 | 0 | 107 | R43 I67 L69 M70 T395 D396 P398 | R43-Y392 PolarHBondContact NE-OH 3.03Å; I67-Y392 HydrophobicContact CB-CE1 4.16Å; I67-Y392 HydrophobicContact CG2-CD1 4.36Å; I67-Y392 HydrophobicContact CG2-CE1 3.84Å; L69-Y392 CarbonylContact C-O 3.56Å; L69-Y392 VanDerWaalsContact CA-O 3.3Å; L69-Y392 WeakPolarHBondContact CA-O 3.47Å; M70-Y392 HydrophobicContact CB-CD1 4.41Å; M70-Y392 HydrophobicContact CB-CG 4.25Å; M70-Y392 HydrophobicContact CE-CD1 4.37Å; M70-Y392 HydrophobicContact CE-CD2 4.45Å; M70-Y392 HydrophobicContact CE-CE1 4.06Å; M70-Y392 HydrophobicContact CE-CE2 4.12Å; M70-Y392 HydrophobicContact CG-CD1 3.81Å; M70-Y392 HydrophobicContact CG-CE1 4.35Å; M70-Y392 HydrophobicContact CG-CG 3.94Å; M70-Y392 PolarHBondContact N-O 3Å; M70-Y392 HydrophobicContact SD-CD1 4.28Å; M70-Y392 HydrophobicContact SD-CD2 4.06Å; M70-Y392 HydrophobicContact SD-CE2 4.31Å; M70-Y392 HydrophobicContact SD-CG 4.05Å; Y392-T395 HydrophobicContact CD1-CG2 4.02Å; Y392-T395 HydrophobicContact CD2-CG2 4.24Å; Y392-T395 HydrophobicContact CE1-CG2 4.23Å; Y392-T395 WeakPolarHBondContact CE1-O 3.29Å; Y392-T395 HydrophobicContact CE2-CG2 4.47Å; Y392-T395 HydrophobicContact CG-CG2 4.01Å; Y392-T395 PolarHBondContact OH-O 3.49Å; Y392-D396 WeakPolarHBondContact OH-CA 3.23Å; Y392-D396 PolarHBondContact OH-O 2.77Å; Y392-P398 HydrophobicContact CD2-CG 4.3Å |
| 393 | F | 97.8 | Very high | 97.3 | Very high | 41 Ų | 41 | 34.2 Ų | 34.2 | 18% | 0.18 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 126.4 | 175.8 | 179 | -112.2 | 0 | 0 | 0 | 108.5 | L68 L69 P140 A366 T369 T395 | L68-F393 HydrophobicContact CD1-CD2 4.43Å; L68-F393 HydrophobicContact CD1-CE2 3.97Å; L68-F393 HydrophobicContact CG-CD2 4.43Å; L68-F393 HydrophobicContact CG-CE2 4.1Å; L68-F393 CarbonylContact O-C 3.58Å; L68-F393 VanDerWaalsContact O-CA 3.26Å; L68-F393 WeakPolarHBondContact O-CA 3.43Å; L69-F393 HydrophobicContact CB-CD2 4.32Å; L69-F393 HydrophobicContact CD1-CB 4.06Å; L69-F393 HydrophobicContact CD1-CD2 3.85Å; L69-F393 HydrophobicContact CD1-CG 4.38Å; P140-F393 HydrophobicContact CB-CE2 4.36Å; P140-F393 HydrophobicContact CB-CZ 4Å; P140-F393 HydrophobicContact CG-CE2 4.4Å; P140-F393 HydrophobicContact CG-CZ 4.45Å; A366-F393 HydrophobicContact CB-CD1 4.03Å; A366-F393 HydrophobicContact CB-CD2 3.81Å; A366-F393 HydrophobicContact CB-CE1 3.96Å; A366-F393 HydrophobicContact CB-CE2 3.73Å; A366-F393 HydrophobicContact CB-CG 3.95Å; A366-F393 HydrophobicContact CB-CZ 3.81Å; T369-F393 HydrophobicContact CG2-CB 3.8Å; T369-F393 HydrophobicContact CG2-CG 4.41Å; F393-T395 VanDerWaalsContact C-N 3.27Å; F393-T395 WeakPolarHBondContact O-CG2 3.31Å; F393-T395 PolarHBondContact O-N 2.96Å |
| 394 | D | 96.3 | Very high | 97.5 | Very high | 21 Ų | 21 | 32.8 Ų | 32.8 | 11% | 0.112 | 16% | 0.156 | C | C | . | . | S | Bend | trans | 46.6 | 48.3 | 179 | -165.5 | 33.5 | 0 | 0 | 0 | 113.9 | L68 T142 I143 | L68-D394 HydrophobicContact CD1-CB 4.4Å; L68-D394 PolarHBondContact O-N 2.94Å; T142-D394 VanDerWaalsContact CA-OD2 3.26Å; T142-D394 WeakPolarHBondContact CA-OD2 3.25Å; T142-D394 WeakPolarHBondContact CB-OD1 3.31Å; T142-D394 WeakPolarHBondContact CB-OD2 3.21Å; I143-D394 PolarHBondContact N-OD2 3.25Å |
| 395 | T | 95.9 | Very high | 97.6 | Very high | 9 Ų | 9 | 32.2 Ų | 32.2 | 6% | 0.055 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -149.7 | 164.1 | -173.1 | -176.6 | 0 | 0 | 0 | 0 | 110.5 | Y392 F393 K397 | Y392-T395 HydrophobicContact CD1-CG2 4.02Å; Y392-T395 HydrophobicContact CD2-CG2 4.24Å; Y392-T395 HydrophobicContact CE1-CG2 4.23Å; Y392-T395 WeakPolarHBondContact CE1-O 3.29Å; Y392-T395 HydrophobicContact CE2-CG2 4.47Å; Y392-T395 HydrophobicContact CG-CG2 4.01Å; Y392-T395 PolarHBondContact OH-O 3.49Å; F393-T395 VanDerWaalsContact C-N 3.27Å; F393-T395 WeakPolarHBondContact O-CG2 3.31Å; F393-T395 PolarHBondContact O-N 2.96Å; T395-K397 WeakPolarHBondContact CG2-O 3.25Å; T395-K397 PolarHBondContact OG1-N 3.45Å; T395-K397 PolarHBondContact OG1-O 2.57Å |
| 396 | D | 93.9 | Very high | 97.7 | Very high | 36 Ų | 36 | 30.2 Ų | 30.2 | 19% | 0.193 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -99.1 | -6.7 | 175.3 | -73.2 | -58.1 | 0 | 0 | 0 | 113.9 | R43 D56 A57 R58 Y392 | R43-D396 VanDerWaalsContact CD-O 3.24Å; R43-D396 WeakPolarHBondContact CD-O 3.29Å; R43-D396 PolarHBondContact NE-O 3.04Å; R43-D396 IonicContact NH2-OD1 2.91Å; R43-D396 PolarHBondContact NH2-OD1 3.14Å; D56-D396 WeakPolarHBondContact CA-OD1 3.35Å; D56-D396 WeakPolarHBondContact CB-OD2 3.34Å; A57-D396 VanDerWaalsContact N-CG 3.28Å; A57-D396 PolarHBondContact N-OD1 2.85Å; A57-D396 PolarHBondContact N-OD2 3.07Å; A57-D396 VanDerWaalsContact N-OD2 3.07Å; R58-D396 PolarHBondContact N-OD2 3.17Å; Y392-D396 WeakPolarHBondContact OH-CA 3.23Å; Y392-D396 PolarHBondContact OH-O 2.77Å |
| 397 | K | 95.9 | Very high | 97.7 | Very high | 107 Ų | 107 | 28.2 Ų | 28.2 | 47% | 0.465 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -147.7 | 150.7 | -178.4 | 51.2 | 176.6 | 176.6 | 162.2 | 0 | 110.7 | T395 T399 G741 | T395-K397 WeakPolarHBondContact CG2-O 3.25Å; T395-K397 PolarHBondContact OG1-N 3.45Å; T395-K397 PolarHBondContact OG1-O 2.57Å; K397-T399 PolarHBondContact O-N 2.75Å; K397-G741 PolarHBondContact NZ-O 2.85Å |
| 398 | P | 97.8 | Very high | 97.7 | Very high | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.019 | 12% | 0.122 | C | C | . | . | P | Polyproline II helix | trans | -55 | 132.8 | 174.4 | -24.4 | 35.9 | 0 | 0 | 0 | 111 | V36 M39 K40 H391 Y392 G741 V742 | V36-P398 HydrophobicContact CG1-CB 4.33Å; V36-P398 HydrophobicContact CG1-CG 4.18Å; V36-P398 HydrophobicContact CG2-CB 4.39Å; M39-P398 HydrophobicContact CB-CB 4.47Å; M39-P398 HydrophobicContact CB-CG 3.62Å; M39-P398 HydrophobicContact CE-CB 3.96Å; M39-P398 HydrophobicContact CE-CG 4.41Å; M39-P398 HydrophobicContact CG-CG 4.47Å; M39-P398 HydrophobicContact SD-CB 3.96Å; M39-P398 HydrophobicContact SD-CG 4.12Å; K40-P398 HydrophobicContact CG-CG 4.29Å; H391-P398 CarbonylContact O-C 3.58Å; Y392-P398 HydrophobicContact CD2-CG 4.3Å; P398-G741 CarbonylContact O-C 3.59Å; P398-G741 WeakPolarHBondContact O-CA 3.2Å; P398-V742 HydrophobicContact CB-CG2 4.27Å; P398-V742 WeakPolarHBondContact O-CG2 3.24Å; P398-V742 PolarHBondContact O-N 2.91Å |
| 399 | T | 97.8 | Very high | 97.7 | Very high | 21 Ų | 21 | 25.1 Ų | 25.1 | 13% | 0.129 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 127.6 | 178.7 | -57 | 0 | 0 | 0 | 0 | 109.5 | Y390 H391 K397 Y739 | Y390-T399 VanDerWaalsContact CA-O 3.31Å; Y390-T399 WeakPolarHBondContact CA-O 3.31Å; H391-T399 PolarHBondContact N-O 3.3Å; H391-T399 PolarHBondContact O-N 3.37Å; K397-T399 PolarHBondContact O-N 2.75Å; T399-Y739 HydrophobicContact CG2-CD2 3.94Å |
| 400 | R | 98.2 | Very high | 97.6 | Very high | 94 Ų | 94 | 27.4 Ų | 27.4 | 36% | 0.355 | 12% | 0.124 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 127 | 174 | -173.5 | -178.8 | 80 | 175.1 | 1.5 | 110.2 | D388 Y390 Y739 A740 V742 | D388-R400 HydrophobicContact CB-CG 4.38Å; D388-R400 WeakPolarHBondContact OD2-CD 3.23Å; D388-R400 IonicContact OD2-NE 3.31Å; D388-R400 IonicContact OD2-NH1 3.3Å; Y390-R400 HydrophobicContact CD1-CB 3.93Å; Y390-R400 HydrophobicContact CD1-CG 4.11Å; Y390-R400 HydrophobicContact CE1-CB 3.66Å; Y390-R400 HydrophobicContact CE1-CG 3.52Å; R400-Y739 WeakPolarHBondContact O-CA 3.43Å; R400-A740 PolarHBondContact N-O 2.84Å; R400-A740 PolarHBondContact O-N 3.04Å; R400-V742 HydrophobicContact CB-CG1 3.84Å; R400-V742 HydrophobicContact CB-CG2 4.37Å |
| 401 | H | 98.2 | Very high | 97.4 | Very high | 10 Ų | 10 | 26.3 Ų | 26.3 | 5% | 0.046 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 107 | 169.6 | -68.8 | -117.4 | 0 | 0 | 0 | 107.9 | T369 T371 D388 L389 H391 A404 | T369-H401 PolarHBondContact O-CE1 3.01Å; T371-H401 WeakPolarHBondContact O-CB 3.1Å; T371-H401 PolarHBondContact O-ND1 3.12Å; D388-H401 CarbonylContact C-O 3.13Å; D388-H401 WeakPolarHBondContact CA-O 3.21Å; L389-H401 HydrophobicContact CB-CB 4.49Å; L389-H401 PolarHBondContact N-O 3.43Å; L389-H401 PolarHBondContact O-N 3.23Å; H391-H401 AromaticContact CD2-CD2 3.6Å; H391-H401 AromaticContact CD2-CG 3.98Å; H391-H401 AromaticContact CD2-NE2 3.91Å; H401-A404 HydrophobicContact CB-CB 3.77Å |
| 402 | K | 97.5 | Very high | 97.2 | Very high | 47 Ų | 47 | 27.8 Ų | 27.8 | 20% | 0.204 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 141.4 | -175.1 | -171.7 | -179.4 | 177.1 | -177 | 0 | 110.2 | E373 D388 A404 N736 | E373-K402 WeakPolarHBondContact CA-O 3.46Å; E373-K402 WeakPolarHBondContact CB-O 3.48Å; E373-K402 WeakPolarHBondContact CG-O 3.26Å; D388-K402 VanDerWaalsContact OD1-CA 3.26Å; D388-K402 WeakPolarHBondContact OD1-CA 3.49Å; D388-K402 WeakPolarHBondContact OD1-CG 3.39Å; K402-A404 PolarHBondContact O-N 2.9Å; K402-N736 HydrophobicContact CD-CB 4.2Å |
| 403 | N | 97.8 | Very high | 96.9 | Very high | 23 Ų | 23 | 32.5 Ų | 32.5 | 12% | 0.123 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 46.7 | 35.9 | 177.9 | -55.1 | -27.3 | 0 | 0 | 0 | 113.9 | E373 L374 F386 V387 D388 L405 | E373-N403 HydrophobicContact CG-CB 3.99Å; E373-N403 PolarHBondContact OE1-ND2 3.16Å; L374-N403 VanDerWaalsContact CB-O 3.23Å; L374-N403 WeakPolarHBondContact CB-O 3.22Å; L374-N403 VanDerWaalsContact CG-O 3.26Å; L374-N403 WeakPolarHBondContact CG-O 3.4Å; L374-N403 PolarHBondContact N-O 2.78Å; F386-N403 HydrophobicContact CB-CB 3.87Å; F386-N403 WeakPolarHBondContact CB-OD1 3.44Å; F386-N403 HydrophobicContact CD1-CB 3.81Å; F386-N403 HydrophobicContact CG-CB 4.11Å; V387-N403 CarbonylContact O-C 3.47Å; D388-N403 PolarHBondContact OD1-N 3.18Å; N403-L405 VanDerWaalsContact C-N 3.28Å; N403-L405 PolarHBondContact O-N 2.91Å |
| 404 | A | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | -14 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | T371 V387 L389 H401 K402 T443 | T371-A404 VanDerWaalsContact O-CB 3.3Å; T371-A404 WeakPolarHBondContact O-CB 3.45Å; V387-A404 PolarHBondContact O-N 3.1Å; L389-A404 HydrophobicContact CB-CB 3.95Å; L389-A404 HydrophobicContact CD1-CB 3.7Å; L389-A404 HydrophobicContact CG-CB 3.77Å; H401-A404 HydrophobicContact CB-CB 3.77Å; K402-A404 PolarHBondContact O-N 2.9Å; A404-T443 PolarHBondContact O-OG1 3.19Å |
| 405 | L | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 146 | 174.9 | 176.6 | 142.8 | 0 | 0 | 0 | 109.7 | Y315 V317 L323 F386 V387 L389 N403 I407 L441 R442 | Y315-L405 HydrophobicContact CD2-CD1 3.98Å; Y315-L405 HydrophobicContact CE2-CD1 3.87Å; Y315-L405 HydrophobicContact CE2-CD2 3.87Å; V317-L405 HydrophobicContact CG2-CD1 3.71Å; L323-L405 HydrophobicContact CD1-CD1 3.83Å; F386-L405 CarbonylContact C-O 3.55Å; F386-L405 WeakPolarHBondContact CA-O 3.15Å; V387-L405 HydrophobicContact CB-CB 4.33Å; V387-L405 HydrophobicContact CB-CD2 3.87Å; V387-L405 HydrophobicContact CG2-CD2 3.86Å; V387-L405 PolarHBondContact N-O 3.08Å; V387-L405 PolarHBondContact O-N 3.06Å; V387-L405 VanDerWaalsContact O-N 3.14Å; L389-L405 HydrophobicContact CD1-CB 4.28Å; L389-L405 HydrophobicContact CD2-CB 4.48Å; L389-L405 HydrophobicContact CG-CB 4.42Å; N403-L405 VanDerWaalsContact C-N 3.28Å; N403-L405 PolarHBondContact O-N 2.91Å; L405-I407 HydrophobicContact CD2-CD1 4.07Å; L405-I407 HydrophobicContact CD2-CG1 3.97Å; L405-L441 HydrophobicContact CD1-CD1 3.93Å; L405-L441 HydrophobicContact CD2-CD1 3.77Å; L405-L441 HydrophobicContact CG-CD1 4.08Å; L405-R442 CarbonylContact C-O 3.58Å; L405-R442 WeakPolarHBondContact CA-O 3.46Å; L405-R442 WeakPolarHBondContact CG-O 3.48Å |
| 406 | C | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 146.8 | 176.1 | 78.3 | 0 | 0 | 0 | 0 | 111.7 | L374 C380 A384 T385 F386 R442 | L374-C406 HydrophobicContact CD1-CB 3.96Å; C380-C406 HydrophobicContact CB-CB 3.74Å; C380-C406 WeakPolarHBondContact CB-SG 3.44Å; C380-C406 WeakPolarHBondContact SG-CB 3.17Å; C380-C406 CovalentContact SG-SG 2.02Å; C380-C406 PolarHBondContact SG-SG 2.94Å; A384-C406 HydrophobicContact CB-CB 4.16Å; T385-C406 CarbonylContact O-C 3.54Å; T385-C406 WeakPolarHBondContact O-CA 3.35Å; F386-C406 HydrophobicContact CD1-CB 3.76Å; F386-C406 HydrophobicContact CE1-CB 3.8Å; F386-C406 HydrophobicContact CG-CB 4.44Å; F386-C406 HydrophobicContact CZ-CB 4.47Å; C406-R442 PolarHBondContact N-O 2.83Å; C406-R442 PolarHBondContact O-N 2.96Å |
| 407 | I | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 127.7 | 176.2 | -60.5 | 163.8 | 0 | 0 | 0 | 107.9 | Y299 I301 V306 Y315 T385 L405 L439 V440 L441 | Y299-I407 HydrophobicContact CD2-CG2 4.05Å; Y299-I407 HydrophobicContact CE2-CB 4.49Å; Y299-I407 HydrophobicContact CE2-CG2 3.84Å; Y299-I407 PolarHBondContact OH-O 3.02Å; Y299-I407 VanDerWaalsContact OH-O 3.07Å; I301-I407 HydrophobicContact CD1-CB 3.93Å; I301-I407 HydrophobicContact CD1-CD1 3.53Å; I301-I407 HydrophobicContact CD1-CG1 4.31Å; I301-I407 HydrophobicContact CD1-CG2 4.04Å; I301-I407 HydrophobicContact CG1-CD1 4.02Å; V306-I407 HydrophobicContact CG2-CD1 4.01Å; Y315-I407 HydrophobicContact CE1-CD1 3.92Å; T385-I407 PolarHBondContact N-O 3.19Å; T385-I407 PolarHBondContact O-N 2.82Å; L405-I407 HydrophobicContact CD2-CD1 4.07Å; L405-I407 HydrophobicContact CD2-CG1 3.97Å; I407-L439 HydrophobicContact CG2-CD1 3.88Å; I407-L439 HydrophobicContact CG2-CG 4.36Å; I407-V440 WeakPolarHBondContact CA-O 3.2Å; I407-L441 HydrophobicContact CD1-CD1 3.9Å; I407-L441 HydrophobicContact CG1-CD1 3.5Å; I407-L441 VanDerWaalsContact CG1-CD1 3.5Å |
| 408 | F | 98.6 | Very high | 97.3 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 1% | 0.013 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 154.5 | -179.3 | 60.9 | -84.6 | 0 | 0 | 0 | 112.2 | C380 P381 A384 M410 L439 V440 | C380-F408 HydrophobicContact CB-CD1 4.18Å; C380-F408 HydrophobicContact CB-CE1 4.08Å; P381-F408 HydrophobicContact CG-CD2 3.61Å; P381-F408 HydrophobicContact CG-CE2 3.76Å; P381-F408 HydrophobicContact CG-CG 4.09Å; P381-F408 HydrophobicContact CG-CZ 4.38Å; A384-F408 HydrophobicContact CB-CB 3.76Å; A384-F408 HydrophobicContact CB-CD1 4.13Å; A384-F408 HydrophobicContact CB-CG 4.28Å; F408-M410 HydrophobicContact CD2-CB 4.2Å; F408-M410 HydrophobicContact CD2-CG 4.39Å; F408-M410 HydrophobicContact CE2-CB 4.16Å; F408-M410 HydrophobicContact CE2-CG 4.01Å; F408-M410 HydrophobicContact CE2-SD 3.85Å; F408-L439 CarbonylContact O-C 3.56Å; F408-L439 WeakPolarHBondContact O-CA 3.27Å; F408-V440 HydrophobicContact CD1-CB 4.18Å; F408-V440 HydrophobicContact CD2-CB 4.25Å; F408-V440 HydrophobicContact CD2-CG2 4.32Å; F408-V440 HydrophobicContact CE1-CB 3.75Å; F408-V440 HydrophobicContact CE1-CG1 3.78Å; F408-V440 HydrophobicContact CE2-CB 3.84Å; F408-V440 HydrophobicContact CE2-CG1 4.4Å; F408-V440 HydrophobicContact CE2-CG2 3.74Å; F408-V440 HydrophobicContact CG-CB 4.42Å; F408-V440 HydrophobicContact CZ-CB 3.57Å; F408-V440 HydrophobicContact CZ-CG1 3.67Å; F408-V440 HydrophobicContact CZ-CG2 3.86Å; F408-V440 PolarHBondContact N-O 3.14Å; F408-V440 VanDerWaalsContact N-O 3.07Å; F408-V440 PolarHBondContact O-N 2.84Å |
| 409 | E | 97.8 | Very high | 97.3 | Very high | 13 Ų | 13 | 47.4 Ų | 47.4 | 6% | 0.061 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 142.8 | 166.8 | 176.4 | 167.7 | -138.5 | 0 | 0 | 109.6 | L291 R298 Y299 Y308 T437 V438 | L291-E409 VanDerWaalsContact CD2-O 3.26Å; L291-E409 WeakPolarHBondContact CD2-O 3.35Å; R298-E409 IonicContact CZ-OE1 2.69Å; R298-E409 IonicContact CZ-OE2 2.56Å; R298-E409 IonicContact NE-OE1 3.54Å; R298-E409 IonicContact NE-OE2 3.58Å; R298-E409 PolarHBondContact NE-OE2 3.44Å; R298-E409 IonicContact NH2-OE1 2.67Å; R298-E409 PolarHBondContact NH2-OE1 3.12Å; R298-E409 IonicContact NH2-OE2 3.82Å; R298-E409 PolarHBondContact NH2-OE2 3.12Å; Y299-E409 HydrophobicContact CD1-CB 4.32Å; Y299-E409 HydrophobicContact CE1-CB 4.38Å; Y308-E409 VanDerWaalsContact CE2-OE1 3.22Å; Y308-E409 WeakPolarHBondContact CE2-OE1 3.33Å; Y308-E409 PolarHBondContact OH-OE1 3.18Å; E409-T437 VanDerWaalsContact OE1-CB 3.24Å; E409-T437 WeakPolarHBondContact OE1-CB 3.48Å; E409-T437 PolarHBondContact OE1-OG1 2.93Å; E409-V438 CarbonylContact C-O 3.49Å; E409-V438 WeakPolarHBondContact CA-O 3.26Å |
| 410 | M | 96.2 | Very high | 97.3 | Very high | 61 Ų | 61 | 51.1 Ų | 51.1 | 30% | 0.3 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 150.9 | 172.2 | 62.2 | 170.6 | -83.9 | 0 | 0 | 112.6 | L291 F408 T437 V438 V440 | L291-M410 HydrophobicContact CD2-CB 3.72Å; F408-M410 HydrophobicContact CD2-CB 4.2Å; F408-M410 HydrophobicContact CD2-CG 4.39Å; F408-M410 HydrophobicContact CE2-CB 4.16Å; F408-M410 HydrophobicContact CE2-CG 4.01Å; F408-M410 HydrophobicContact CE2-SD 3.85Å; M410-T437 CarbonylContact O-C 3.57Å; M410-T437 WeakPolarHBondContact O-CA 3.3Å; M410-V438 HydrophobicContact CG-CG2 3.61Å; M410-V438 PolarHBondContact N-O 3.39Å; M410-V438 PolarHBondContact O-N 2.88Å; M410-V438 HydrophobicContact SD-CG2 4.42Å; M410-V440 HydrophobicContact CG-CG2 4.05Å; M410-V440 HydrophobicContact SD-CG2 4.09Å |
| 411 | T | 93.8 | Very high | 97.3 | Very high | 56 Ų | 56 | 49 Ų | 49 | 34% | 0.344 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 134.5 | 167.8 | 55 | 0 | 0 | 0 | 0 | 110 | A413 E435 N436 T437 | T411-A413 PolarHBondContact O-N 3.01Å; T411-E435 HydrophobicContact CG2-CG 4.3Å; T411-E435 WeakPolarHBondContact CG2-OE1 3.24Å; T411-N436 WeakPolarHBondContact CA-O 3.4Å; T411-T437 HydrophobicContact CG2-CG2 3.96Å |
| 412 | T | 95 | Very high | 97.3 | Very high | 37 Ų | 37 | 50 Ų | 50 | 23% | 0.227 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 10.5 | -179.5 | 81.4 | 0 | 0 | 0 | 0 | 113.8 | M414 N436 V438 | T412-M414 PolarHBondContact O-N 2.87Å; T412-N436 HydrophobicContact CG2-CB 4.26Å; T412-N436 VanDerWaalsContact CG2-ND2 3.34Å; T412-N436 WeakPolarHBondContact CG2-ND2 3.39Å; T412-N436 PolarHBondContact N-O 3.05Å; T412-N436 WeakPolarHBondContact OG1-CB 3.2Å; T412-N436 PolarHBondContact OG1-ND2 2.86Å; T412-V438 HydrophobicContact CG2-CB 4.46Å; T412-V438 HydrophobicContact CG2-CG1 3.72Å; T412-V438 HydrophobicContact CG2-CG2 3.87Å |
| 413 | A | 91.9 | Very high | 97.2 | Very high | 100 Ų | 100 | 50.5 Ų | 50.5 | 83% | 0.826 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 52.9 | 18.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | T411 | T411-A413 PolarHBondContact O-N 3.01Å |
| 414 | M | 95.3 | Very high | 97.2 | Very high | 130 Ų | 130 | 58.1 Ų | 58.1 | 64% | 0.64 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 145 | 174.8 | -68.1 | -175.3 | 66.7 | 0 | 0 | 109 | T412 N436 | T412-M414 PolarHBondContact O-N 2.87Å; M414-N436 WeakPolarHBondContact O-CB 3.26Å; M414-N436 PolarHBondContact O-N 3.18Å |
| 415 | P | 97.5 | Very high | 97.1 | Very high | 71 Ų | 71 | 67.1 Ų | 67.1 | 46% | 0.461 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 137.1 | 171 | 29.2 | -32.8 | 0 | 0 | 0 | 109.9 | R417 R418 L434 | P415-R417 PolarHBondContact O-N 2.98Å; P415-R418 HydrophobicContact CB-CB 4.15Å; P415-R418 HydrophobicContact CB-CG 4.29Å; P415-R418 HydrophobicContact CG-CB 4.21Å; P415-R418 HydrophobicContact CG-CG 3.8Å; P415-L434 CarbonylContact C-O 3.58Å; P415-L434 VanDerWaalsContact CA-O 3.28Å; P415-L434 WeakPolarHBondContact CA-O 3.35Å; P415-L434 WeakPolarHBondContact CB-O 3.23Å |
| 416 | L | 97.9 | Very high | 96.8 | Very high | 36 Ų | 36 | 71.4 Ų | 71.4 | 19% | 0.188 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | -39.8 | 174.1 | 179.2 | 61.2 | 0 | 0 | 0 | 110.3 | L434 N436 P460 N461 | L416-L434 HydrophobicContact CB-CG 4.36Å; L416-L434 HydrophobicContact CD2-CD2 3.84Å; L416-L434 HydrophobicContact CD2-CG 4.4Å; L416-L434 PolarHBondContact N-O 3.27Å; L416-N436 HydrophobicContact CB-CB 3.92Å; L416-P460 HydrophobicContact CD2-CB 4.26Å; L416-P460 HydrophobicContact CD2-CG 4.46Å; L416-N461 HydrophobicContact CD1-CB 4.36Å; L416-N461 HydrophobicContact CD2-CB 4.27Å |
| 417 | R | 98.1 | Very high | 96.6 | Very high | 66 Ų | 66 | 72.5 Ų | 72.5 | 25% | 0.249 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 148.2 | 171.7 | 55.3 | 176.1 | 174.9 | 72.5 | 6.8 | 110.3 | P415 G433 L434 D695 S697 T703 | P415-R417 PolarHBondContact O-N 2.98Å; R417-G433 WeakPolarHBondContact O-CA 3.45Å; R417-L434 HydrophobicContact CG-CB 4Å; R417-L434 PolarHBondContact O-N 3.06Å; R417-D695 WeakPolarHBondContact CD-OD2 3.42Å; R417-D695 IonicContact NE-OD2 3.39Å; R417-D695 PolarHBondContact NE-OD2 3.42Å; R417-S697 PolarHBondContact NE-OG 2.99Å; R417-S697 VanDerWaalsContact NE-OG 3.14Å; R417-T703 PolarHBondContact NH2-OG1 2.83Å |
| 418 | R | 98.1 | Very high | 96.4 | Very high | 134 Ų | 134 | 74.9 Ų | 74.9 | 51% | 0.506 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 150.4 | 176.7 | 66.1 | 117.1 | -43.1 | -151.6 | 13.5 | 111.8 | P415 G432 | P415-R418 HydrophobicContact CB-CB 4.15Å; P415-R418 HydrophobicContact CB-CG 4.29Å; P415-R418 HydrophobicContact CG-CB 4.21Å; P415-R418 HydrophobicContact CG-CG 3.8Å; R418-G432 CarbonylContact C-O 3.58Å; R418-G432 WeakPolarHBondContact CA-O 3.3Å |
| 419 | H | 98.5 | Very high | 96.4 | Very high | 94 Ų | 94 | 78.6 Ų | 78.6 | 44% | 0.435 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 149.4 | 173 | -175 | 70.8 | 0 | 0 | 0 | 111.1 | N421 F430 F431 G432 | H419-N421 PolarHBondContact NE2-ND2 3.44Å; H419-F430 AromaticContact CD2-CZ 3.95Å; H419-F431 WeakPolarHBondContact O-CA 3.47Å; H419-F431 WeakPolarHBondContact O-CD2 3.25Å; H419-G432 PolarHBondContact N-O 3.22Å; H419-G432 PolarHBondContact O-N 2.85Å |
| 420 | F | 98.3 | Very high | 96.4 | Very high | 99 Ų | 99 | 81.5 Ų | 81.5 | 43% | 0.434 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 107.1 | 177.3 | 176.5 | -88.8 | 0 | 0 | 0 | 104.6 | S422 Y428 F431 | F420-S422 PolarHBondContact O-N 3.24Å; F420-Y428 HydrophobicContact CE2-CG 4.14Å; F420-Y428 HydrophobicContact CZ-CG 4.25Å; F420-F431 HydrophobicContact CD2-CB 4.32Å |
| 421 | N | 98.1 | Very high | 96.5 | Very high | 49 Ų | 49 | 81.8 Ų | 81.8 | 26% | 0.262 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 91.2 | -177 | -165.4 | -113.5 | 0 | 0 | 0 | 107.8 | H419 Y428 N429 F430 | H419-N421 PolarHBondContact NE2-ND2 3.44Å; N421-Y428 CarbonylContact O-C 3.6Å; N421-Y428 WeakPolarHBondContact O-CA 3.2Å; N421-N429 HydrophobicContact CB-CB 4.39Å; N421-N429 PolarHBondContact O-N 3.15Å; N421-N429 VanDerWaalsContact OD1-CB 3.3Å; N421-N429 WeakPolarHBondContact OD1-CB 3.09Å; N421-N429 PolarHBondContact OD1-ND2 2.77Å; N421-F430 HydrophobicContact CB-CD1 3.66Å; N421-F430 HydrophobicContact CB-CD2 4.48Å; N421-F430 HydrophobicContact CB-CE1 3.47Å; N421-F430 VanDerWaalsContact CB-CE1 3.47Å; N421-F430 HydrophobicContact CB-CE2 4.32Å; N421-F430 HydrophobicContact CB-CG 4.17Å; N421-F430 HydrophobicContact CB-CZ 3.83Å; N421-F430 PolarHBondContact N-O 3.46Å |
| 422 | S | 97.6 | Very high | 96.7 | Very high | 30 Ų | 30 | 79.7 Ų | 79.7 | 21% | 0.21 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 145.8 | 174.6 | -175.4 | 0 | 0 | 0 | 0 | 110.3 | F420 F424 G427 | F420-S422 PolarHBondContact O-N 3.24Å; S422-F424 VanDerWaalsContact C-N 3.26Å; S422-F424 PolarHBondContact OG-N 3.03Å; S422-G427 PolarHBondContact OG-O 3.16Å |
| 423 | N | 96.3 | Very high | 96.8 | Very high | 58 Ų | 58 | 78.3 Ų | 78.3 | 31% | 0.31 | 42% | 0.417 | S | S | . | . | trans | -86.8 | -1.1 | 166.5 | 71.5 | 5.5 | 0 | 0 | 0 | 112.4 | K425 G427 | N423-K425 PolarHBondContact O-N 2.99Å; N423-K425 WeakPolarHBondContact OD1-CA 3.2Å; N423-K425 PolarHBondContact OD1-N 2.89Å; N423-G427 VanDerWaalsContact CG-C 3.46Å; N423-G427 PolarHBondContact N-O 2.58Å; N423-G427 VanDerWaalsContact N-O 3.13Å; N423-G427 VanDerWaalsContact OD1-C 3.24Å; N423-G427 WeakPolarHBondContact OD1-CA 3.33Å; N423-G427 PolarHBondContact OD1-N 2.86Å; N423-G427 PolarHBondContact OD1-O 3.44Å; N423-G427 VanDerWaalsContact OD1-O 3.11Å | ||
| 424 | F | 96.4 | Very high | 97.1 | Very high | 184 Ų | 184 | 73.8 Ų | 73.8 | 81% | 0.807 | 38% | 0.379 | S | S | * | . | S | Bend | trans | 59.7 | 21.4 | -176.9 | -52.5 | -79.1 | 0 | 0 | 0 | 115.1 | S422 | S422-F424 VanDerWaalsContact C-N 3.26Å; S422-F424 PolarHBondContact OG-N 3.03Å |
| 425 | K | 96.4 | Very high | 97 | Very high | 189 Ų | 189 | 72.9 Ų | 72.9 | 82% | 0.822 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -127.6 | 29.4 | 178.2 | -61.4 | -178.6 | -179.4 | -177.4 | 0 | 112 | N423 | N423-K425 PolarHBondContact O-N 2.99Å; N423-K425 WeakPolarHBondContact OD1-CA 3.2Å; N423-K425 PolarHBondContact OD1-N 2.89Å |
| 426 | G | 93.6 | Very high | 97 | Very high | 89 Ų | 89 | 70.2 Ų | 70.2 | 92% | 0.918 | 36% | 0.355 | S | S | * | . | S | Bend | trans | 81 | 8.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 427 | G | 93.4 | Very high | 96.9 | Very high | 23 Ų | 23 | 69.2 Ų | 69.2 | 24% | 0.237 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -131.9 | -163 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S422 N423 | S422-G427 PolarHBondContact OG-O 3.16Å; N423-G427 VanDerWaalsContact CG-C 3.46Å; N423-G427 PolarHBondContact N-O 2.58Å; N423-G427 VanDerWaalsContact N-O 3.13Å; N423-G427 VanDerWaalsContact OD1-C 3.24Å; N423-G427 WeakPolarHBondContact OD1-CA 3.33Å; N423-G427 PolarHBondContact OD1-N 2.86Å; N423-G427 PolarHBondContact OD1-O 3.44Å; N423-G427 VanDerWaalsContact OD1-O 3.11Å |
| 428 | Y | 96.6 | Very high | 96.9 | Very high | 50 Ų | 50 | 66.1 Ų | 66.1 | 20% | 0.196 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 151.8 | -177 | 69.9 | -72.5 | 0 | 0 | 0 | 111.1 | F420 N421 V706 P708 P714 | F420-Y428 HydrophobicContact CE2-CG 4.14Å; F420-Y428 HydrophobicContact CZ-CG 4.25Å; N421-Y428 CarbonylContact O-C 3.6Å; N421-Y428 WeakPolarHBondContact O-CA 3.2Å; Y428-V706 HydrophobicContact CE2-CG1 4.21Å; Y428-P708 HydrophobicContact CE1-CG 4.43Å; Y428-P708 HydrophobicContact CE2-CG 4.25Å; Y428-P708 WeakPolarHBondContact O-CG 3.41Å; Y428-P714 WeakPolarHBondContact OH-CB 3.24Å |
| 429 | N | 97 | Very high | 96.9 | Very high | 82 Ų | 82 | 59.7 Ų | 59.7 | 44% | 0.439 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | -41 | 171.1 | -57.7 | -39.1 | 0 | 0 | 0 | 110.6 | N421 P708 | N421-N429 HydrophobicContact CB-CB 4.39Å; N421-N429 PolarHBondContact O-N 3.15Å; N421-N429 VanDerWaalsContact OD1-CB 3.3Å; N421-N429 WeakPolarHBondContact OD1-CB 3.09Å; N421-N429 PolarHBondContact OD1-ND2 2.77Å; N429-P708 WeakPolarHBondContact O-CD 3.37Å |
| 430 | F | 98 | Very high | 96.9 | Very high | 73 Ų | 73 | 55.3 Ų | 55.3 | 32% | 0.32 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.6 | 158.3 | 170.1 | 68.5 | -86.7 | 0 | 0 | 0 | 112.6 | H419 N421 V706 R707 | H419-F430 AromaticContact CD2-CZ 3.95Å; N421-F430 HydrophobicContact CB-CD1 3.66Å; N421-F430 HydrophobicContact CB-CD2 4.48Å; N421-F430 HydrophobicContact CB-CE1 3.47Å; N421-F430 VanDerWaalsContact CB-CE1 3.47Å; N421-F430 HydrophobicContact CB-CE2 4.32Å; N421-F430 HydrophobicContact CB-CG 4.17Å; N421-F430 HydrophobicContact CB-CZ 3.83Å; N421-F430 PolarHBondContact N-O 3.46Å; F430-V706 CarbonylContact C-O 3.58Å; F430-V706 WeakPolarHBondContact CA-O 3.25Å; F430-V706 WeakPolarHBondContact CB-O 3.44Å; F430-R707 HydrophobicContact CB-CG 3.96Å |
| 431 | F | 98.4 | Very high | 97 | Very high | 68 Ų | 68 | 50.6 Ų | 50.6 | 30% | 0.298 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 142.8 | 157.9 | 165.4 | -92.9 | 0 | 0 | 0 | 108.9 | H419 F420 I705 V706 | H419-F431 WeakPolarHBondContact O-CA 3.47Å; H419-F431 WeakPolarHBondContact O-CD2 3.25Å; F420-F431 HydrophobicContact CD2-CB 4.32Å; F431-I705 CarbonylContact O-C 3.38Å; F431-I705 VanDerWaalsContact O-CA 3.29Å; F431-I705 WeakPolarHBondContact O-CA 3.23Å; F431-I705 WeakPolarHBondContact O-CG2 3.31Å; F431-V706 HydrophobicContact CB-CB 4.28Å; F431-V706 HydrophobicContact CD1-CG2 4.12Å; F431-V706 PolarHBondContact N-O 2.93Å; F431-V706 PolarHBondContact O-N 3.49Å |
| 432 | G | 98.3 | Very high | 97 | Very high | 11 Ų | 11 | 50.4 Ų | 50.4 | 11% | 0.113 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 135.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | R418 H419 V704 | R418-G432 CarbonylContact C-O 3.58Å; R418-G432 WeakPolarHBondContact CA-O 3.3Å; H419-G432 PolarHBondContact N-O 3.22Å; H419-G432 PolarHBondContact O-N 2.85Å; G432-V704 WeakPolarHBondContact CA-O 3.42Å |
| 433 | G | 97.9 | Very high | 97.1 | Very high | 9 Ų | 9 | 49 Ų | 49 | 9% | 0.093 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 149.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R417 V704 | R417-G433 WeakPolarHBondContact O-CA 3.45Å; G433-V704 PolarHBondContact N-O 2.97Å; G433-V704 PolarHBondContact O-N 3.23Å |
| 434 | L | 97.4 | Very high | 97.2 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 125.2 | 170.9 | 175.7 | 58.7 | 0 | 0 | 0 | 108 | P415 L416 R417 | P415-L434 CarbonylContact C-O 3.58Å; P415-L434 VanDerWaalsContact CA-O 3.28Å; P415-L434 WeakPolarHBondContact CA-O 3.35Å; P415-L434 WeakPolarHBondContact CB-O 3.23Å; L416-L434 HydrophobicContact CB-CG 4.36Å; L416-L434 HydrophobicContact CD2-CD2 3.84Å; L416-L434 HydrophobicContact CD2-CG 4.4Å; L416-L434 PolarHBondContact N-O 3.27Å; R417-L434 HydrophobicContact CG-CB 4Å; R417-L434 PolarHBondContact O-N 3.06Å |
| 435 | E | 94.3 | Very high | 97.3 | Very high | 111 Ų | 111 | 38 Ų | 38 | 52% | 0.519 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 145.2 | 173 | -177 | 171.7 | -135.4 | 0 | 0 | 110.9 | T411 T437 | T411-E435 HydrophobicContact CG2-CG 4.3Å; T411-E435 WeakPolarHBondContact CG2-OE1 3.24Å; E435-T437 HydrophobicContact CG-CG2 4.25Å |
| 436 | N | 96.3 | Very high | 97.4 | Very high | 15 Ų | 15 | 30.3 Ų | 30.3 | 8% | 0.08 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 105.4 | 174.8 | -166.4 | 20.5 | 0 | 0 | 0 | 110.3 | T411 T412 M414 L416 | T411-N436 WeakPolarHBondContact CA-O 3.4Å; T412-N436 HydrophobicContact CG2-CB 4.26Å; T412-N436 VanDerWaalsContact CG2-ND2 3.34Å; T412-N436 WeakPolarHBondContact CG2-ND2 3.39Å; T412-N436 PolarHBondContact N-O 3.05Å; T412-N436 WeakPolarHBondContact OG1-CB 3.2Å; T412-N436 PolarHBondContact OG1-ND2 2.86Å; M414-N436 WeakPolarHBondContact O-CB 3.26Å; M414-N436 PolarHBondContact O-N 3.18Å; L416-N436 HydrophobicContact CB-CB 3.92Å |
| 437 | T | 95.5 | Very high | 97.4 | Very high | 16 Ų | 16 | 27.2 Ų | 27.2 | 10% | 0.098 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 135.3 | 170.5 | 64.4 | 0 | 0 | 0 | 0 | 109.8 | R298 Y308 E409 M410 T411 E435 P460 | R298-T437 PolarHBondContact NH2-OG1 3.18Å; Y308-T437 PolarHBondContact OH-O 3.31Å; Y308-T437 VanDerWaalsContact OH-O 3.1Å; Y308-T437 PolarHBondContact OH-OG1 3.44Å; E409-T437 VanDerWaalsContact OE1-CB 3.24Å; E409-T437 WeakPolarHBondContact OE1-CB 3.48Å; E409-T437 PolarHBondContact OE1-OG1 2.93Å; M410-T437 CarbonylContact O-C 3.57Å; M410-T437 WeakPolarHBondContact O-CA 3.3Å; T411-T437 HydrophobicContact CG2-CG2 3.96Å; E435-T437 HydrophobicContact CG-CG2 4.25Å; T437-P460 WeakPolarHBondContact O-CD 3.46Å; T437-P460 WeakPolarHBondContact O-CG 3.17Å |
| 438 | V | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 142.1 | -178.3 | -61.7 | 0 | 0 | 0 | 0 | 109.8 | E409 M410 T412 V440 L457 Y459 | E409-V438 CarbonylContact C-O 3.49Å; E409-V438 WeakPolarHBondContact CA-O 3.26Å; M410-V438 HydrophobicContact CG-CG2 3.61Å; M410-V438 PolarHBondContact N-O 3.39Å; M410-V438 PolarHBondContact O-N 2.88Å; M410-V438 HydrophobicContact SD-CG2 4.42Å; T412-V438 HydrophobicContact CG2-CB 4.46Å; T412-V438 HydrophobicContact CG2-CG1 3.72Å; T412-V438 HydrophobicContact CG2-CG2 3.87Å; V438-V440 HydrophobicContact CG2-CG2 4.21Å; V438-L457 HydrophobicContact CG2-CD2 4.3Å; V438-Y459 HydrophobicContact CG1-CD1 3.34Å; V438-Y459 HydrophobicContact CG1-CD2 4.21Å; V438-Y459 HydrophobicContact CG1-CE1 3.42Å; V438-Y459 VanDerWaalsContact CG1-CE1 3.42Å; V438-Y459 HydrophobicContact CG1-CE2 4.27Å; V438-Y459 HydrophobicContact CG1-CG 3.76Å |
| 439 | L | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 135.8 | 165.8 | -176.4 | 82.7 | 0 | 0 | 0 | 108.7 | Y299 V306 Y308 F313 I407 F408 L457 F458 | Y299-L439 HydrophobicContact CD1-CD1 3.63Å; Y299-L439 HydrophobicContact CD2-CD1 4.23Å; Y299-L439 HydrophobicContact CE1-CD1 4.26Å; Y299-L439 HydrophobicContact CG-CD1 3.63Å; V306-L439 HydrophobicContact CG1-CD2 3.75Å; Y308-L439 HydrophobicContact CD1-CB 3.35Å; Y308-L439 HydrophobicContact CD1-CD2 4.18Å; Y308-L439 HydrophobicContact CD1-CG 4.27Å; Y308-L439 HydrophobicContact CD2-CB 4.35Å; Y308-L439 HydrophobicContact CE1-CB 3.61Å; Y308-L439 HydrophobicContact CG-CB 3.76Å; Y308-L439 HydrophobicContact CG-CD1 4.32Å; Y308-L439 HydrophobicContact CG-CD2 4.09Å; Y308-L439 HydrophobicContact CG-CG 4.28Å; F313-L439 HydrophobicContact CE1-CD2 4.06Å; F313-L439 HydrophobicContact CZ-CD2 4.06Å; I407-L439 HydrophobicContact CG2-CD1 3.88Å; I407-L439 HydrophobicContact CG2-CG 4.36Å; F408-L439 CarbonylContact O-C 3.56Å; F408-L439 WeakPolarHBondContact O-CA 3.27Å; L439-L457 CarbonylContact O-C 3.51Å; L439-L457 VanDerWaalsContact O-CA 3.3Å; L439-L457 WeakPolarHBondContact O-CA 3.46Å; L439-F458 HydrophobicContact CB-CB 4.31Å; L439-F458 HydrophobicContact CB-CD2 4.36Å; L439-F458 HydrophobicContact CD2-CD2 4.07Å; L439-F458 HydrophobicContact CG-CD2 4.47Å; L439-F458 PolarHBondContact N-O 3.25Å; L439-F458 PolarHBondContact O-N 3.09Å |
| 440 | V | 98.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 130.4 | 177.1 | -173.2 | 0 | 0 | 0 | 0 | 109.2 | I407 F408 M410 V438 R442 F456 L457 | I407-V440 WeakPolarHBondContact CA-O 3.2Å; F408-V440 HydrophobicContact CD1-CB 4.18Å; F408-V440 HydrophobicContact CD2-CB 4.25Å; F408-V440 HydrophobicContact CD2-CG2 4.32Å; F408-V440 HydrophobicContact CE1-CB 3.75Å; F408-V440 HydrophobicContact CE1-CG1 3.78Å; F408-V440 HydrophobicContact CE2-CB 3.84Å; F408-V440 HydrophobicContact CE2-CG1 4.4Å; F408-V440 HydrophobicContact CE2-CG2 3.74Å; F408-V440 HydrophobicContact CG-CB 4.42Å; F408-V440 HydrophobicContact CZ-CB 3.57Å; F408-V440 HydrophobicContact CZ-CG1 3.67Å; F408-V440 HydrophobicContact CZ-CG2 3.86Å; F408-V440 PolarHBondContact N-O 3.14Å; F408-V440 VanDerWaalsContact N-O 3.07Å; F408-V440 PolarHBondContact O-N 2.84Å; M410-V440 HydrophobicContact CG-CG2 4.05Å; M410-V440 HydrophobicContact SD-CG2 4.09Å; V438-V440 HydrophobicContact CG2-CG2 4.21Å; V440-R442 HydrophobicContact CG1-CB 4.27Å; V440-F456 WeakPolarHBondContact CA-O 3.32Å; V440-L457 HydrophobicContact CG2-CD2 4.18Å; V440-L457 HydrophobicContact CG2-CG 4.14Å |
| 441 | L | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 117.2 | 165.4 | 174.2 | 74 | 0 | 0 | 0 | 107.1 | F313 Y315 L323 V325 L405 I407 F456 F458 | F313-L441 HydrophobicContact CE2-CD2 4.13Å; Y315-L441 HydrophobicContact CD1-CD1 4.37Å; Y315-L441 HydrophobicContact CD2-CD1 4.39Å; Y315-L441 HydrophobicContact CG-CD1 4.23Å; Y315-L441 HydrophobicContact CG-CD2 4.24Å; L323-L441 HydrophobicContact CD1-CD2 4.03Å; L323-L441 HydrophobicContact CD1-CG 4.3Å; L323-L441 HydrophobicContact CD2-CD2 4.35Å; L323-L441 HydrophobicContact CD2-CG 4.31Å; L323-L441 HydrophobicContact CG-CD2 4.46Å; V325-L441 HydrophobicContact CG2-CD2 3.9Å; L405-L441 HydrophobicContact CD1-CD1 3.93Å; L405-L441 HydrophobicContact CD2-CD1 3.77Å; L405-L441 HydrophobicContact CG-CD1 4.08Å; I407-L441 HydrophobicContact CD1-CD1 3.9Å; I407-L441 HydrophobicContact CG1-CD1 3.5Å; I407-L441 VanDerWaalsContact CG1-CD1 3.5Å; L441-F456 HydrophobicContact CB-CB 4.33Å; L441-F456 HydrophobicContact CD2-CD2 4.44Å; L441-F456 PolarHBondContact N-O 3.14Å; L441-F456 PolarHBondContact O-N 3.14Å; L441-F458 HydrophobicContact CB-CE2 4.2Å |
| 442 | R | 98.9 | Very high | 97.4 | Very high | 45 Ų | 45 | 19.8 Ų | 19.8 | 17% | 0.17 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 139.7 | -173.7 | 170.6 | 176.7 | -66.5 | 175.9 | -2.9 | 112.5 | D379 L405 C406 V440 I453 W454 D455 | D379-R442 WeakPolarHBondContact O-CD 3.35Å; D379-R442 PolarHBondContact O-NH1 3.42Å; L405-R442 CarbonylContact C-O 3.58Å; L405-R442 WeakPolarHBondContact CA-O 3.46Å; L405-R442 WeakPolarHBondContact CG-O 3.48Å; C406-R442 PolarHBondContact N-O 2.83Å; C406-R442 PolarHBondContact O-N 2.96Å; V440-R442 HydrophobicContact CG1-CB 4.27Å; R442-I453 HydrophobicContact CG-CG2 3.99Å; R442-W454 VanDerWaalsContact CA-O 3.32Å; R442-W454 WeakPolarHBondContact CA-O 3.38Å; R442-D455 WeakPolarHBondContact CB-OD1 3.14Å; R442-D455 IonicContact CZ-OD1 2.71Å; R442-D455 IonicContact CZ-OD2 3.19Å; R442-D455 IonicContact NE-OD1 2.64Å; R442-D455 PolarHBondContact NE-OD1 2.8Å; R442-D455 IonicContact NE-OD2 3.85Å; R442-D455 VanDerWaalsContact NH2-CG 3.34Å; R442-D455 IonicContact NH2-OD1 3.31Å; R442-D455 PolarHBondContact NH2-OD1 2.77Å; R442-D455 VanDerWaalsContact NH2-OD1 3.14Å; R442-D455 IonicContact NH2-OD2 2.76Å; R442-D455 PolarHBondContact NH2-OD2 3.47Å |
| 443 | T | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 167.5 | 163.5 | -164 | 0 | 0 | 0 | 0 | 108.6 | L323 T371 A404 W454 | L323-T443 HydrophobicContact CB-CG2 3.78Å; L323-T443 HydrophobicContact CD1-CG2 4.24Å; L323-T443 HydrophobicContact CD2-CG2 4.08Å; L323-T443 HydrophobicContact CG-CG2 4.26Å; T371-T443 WeakPolarHBondContact CG2-OG1 3.22Å; A404-T443 PolarHBondContact O-OG1 3.19Å; T443-W454 HydrophobicContact CG2-CB 4.13Å; T443-W454 HydrophobicContact CG2-CG 4.39Å; T443-W454 PolarHBondContact N-O 3.18Å; T443-W454 PolarHBondContact O-N 2.78Å |
| 444 | T | 98.8 | Very high | 97.5 | Very high | 13 Ų | 13 | 20.2 Ų | 20.2 | 8% | 0.08 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 163.6 | 173 | 53.4 | 0 | 0 | 0 | 0 | 112.1 | T371 L374 Y452 I453 | T371-T444 VanDerWaalsContact CA-O 3.29Å; T371-T444 WeakPolarHBondContact CA-O 3.33Å; T371-T444 WeakPolarHBondContact CB-O 3.32Å; T371-T444 WeakPolarHBondContact CG2-O 3.47Å; L374-T444 HydrophobicContact CD2-CG2 3.55Å; T444-Y452 CarbonylContact C-O 3.55Å; T444-Y452 WeakPolarHBondContact CA-O 3.33Å; T444-Y452 WeakPolarHBondContact CB-O 3.4Å; T444-I453 HydrophobicContact CG2-CG1 4.16Å |
| 445 | S | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 107 | 163.9 | -66.6 | 0 | 0 | 0 | 0 | 109.1 | M367 S370 Y452 W454 | M367-S445 WeakPolarHBondContact O-CB 3.21Å; M367-S445 PolarHBondContact O-OG 2.96Å; S370-S445 WeakPolarHBondContact O-CA 3.3Å; S445-Y452 PolarHBondContact N-O 3.43Å; S445-Y452 PolarHBondContact O-N 3.32Å; S445-W454 PolarHBondContact OG-NE1 2.61Å |
| 446 | T | 98.4 | Very high | 97.8 | Very high | 26 Ų | 26 | 15 Ų | 15 | 16% | 0.16 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 78.3 | 172.8 | -43.7 | 0 | 0 | 0 | 0 | 108.6 | S370 Y372 Y448 Y450 D451 | S370-T446 WeakPolarHBondContact CB-O 3.47Å; S370-T446 PolarHBondContact O-N 2.93Å; Y372-T446 WeakPolarHBondContact CE2-O 3.11Å; T446-Y448 VanDerWaalsContact C-N 3.31Å; T446-Y448 PolarHBondContact O-N 2.69Å; T446-Y450 WeakPolarHBondContact CA-O 3.44Å; T446-D451 WeakPolarHBondContact CB-OD1 3.27Å; T446-D451 WeakPolarHBondContact CG2-OD1 3.49Å; T446-D451 PolarHBondContact OG1-OD1 3.15Å |
| 447 | V | 93.1 | Very high | 97.9 | Very high | 25 Ų | 25 | 14.7 Ų | 14.7 | 15% | 0.152 | 7% | 0.072 | C | C | . | . | trans | -62.4 | -44.3 | -172.3 | -178.5 | 0 | 0 | 0 | 0 | 110.6 | D362 W365 M367 | D362-V447 HydrophobicContact CB-CG2 4.21Å; W365-V447 HydrophobicContact CB-CG1 3.64Å; W365-V447 HydrophobicContact CG-CG1 3.89Å; M367-V447 HydrophobicContact CB-CG2 3.66Å | ||
| 448 | Y | 95.1 | Very high | 98.1 | Very high | 74 Ų | 74 | 14 Ų | 14 | 29% | 0.29 | 7% | 0.067 | S | C | . | . | S | Bend | trans | -154.6 | -88.4 | 176.3 | -178 | -121.1 | 0 | 0 | 0 | 109.8 | F183 S184 Y209 F210 T446 | F183-Y448 PolarHBondContact O-OH 3.07Å; S184-Y448 PolarHBondContact OG-OH 3.15Å; Y209-Y448 HydrophobicContact CE2-CE2 4.5Å; Y209-Y448 AromaticContact CE2-CZ 3.97Å; Y209-Y448 WeakPolarHBondContact CE2-OH 3.48Å; Y209-Y448 WeakPolarHBondContact OH-CE2 3.32Å; Y209-Y448 PolarHBondContact OH-OH 3.09Å; F210-Y448 HydrophobicContact CD1-CD1 4.05Å; F210-Y448 AromaticContact CD1-CE1 3.55Å; F210-Y448 HydrophobicContact CD1-CE1 3.55Å; F210-Y448 HydrophobicContact CD1-CE2 4.46Å; F210-Y448 AromaticContact CD1-CZ 3.81Å; F210-Y448 AromaticContact CE1-CD1 3.83Å; F210-Y448 HydrophobicContact CE1-CD1 3.83Å; F210-Y448 AromaticContact CE1-CD2 3.96Å; F210-Y448 HydrophobicContact CE1-CD2 3.96Å; F210-Y448 AromaticContact CE1-CE1 3.56Å; F210-Y448 HydrophobicContact CE1-CE1 3.56Å; F210-Y448 AromaticContact CE1-CE2 3.71Å; F210-Y448 HydrophobicContact CE1-CE2 3.71Å; F210-Y448 HydrophobicContact CE1-CG 4.03Å; F210-Y448 AromaticContact CE1-CZ 3.52Å; T446-Y448 VanDerWaalsContact C-N 3.31Å; T446-Y448 PolarHBondContact O-N 2.69Å |
| 449 | N | 96.6 | Very high | 98.1 | Very high | 10 Ų | 10 | 15.6 Ų | 15.6 | 5% | 0.053 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -90.4 | -34.2 | -178.2 | 63.6 | -65.1 | 0 | 0 | 0 | 113.4 | F210 Y473 H475 | F210-N449 HydrophobicContact CB-CB 4.34Å; F210-N449 HydrophobicContact CD1-CB 3.63Å; F210-N449 HydrophobicContact CD2-CB 4.38Å; F210-N449 HydrophobicContact CE1-CB 3.91Å; F210-N449 HydrophobicContact CG-CB 3.87Å; F210-N449 HydrophobicContact CZ-CB 4.4Å; N449-Y473 CarbonylContact C-O 3.49Å; N449-Y473 PolarHBondContact ND2-O 2.88Å; N449-Y473 PolarHBondContact O-N 3.42Å; N449-H475 PolarHBondContact ND2-N 3.14Å; N449-H475 VanDerWaalsContact ND2-N 3.19Å |
| 450 | Y | 96.5 | Very high | 98.1 | Very high | 7 Ų | 7 | 16.4 Ų | 16.4 | 3% | 0.027 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 144.3 | 177.1 | -84.4 | -82.5 | 0 | 0 | 0 | 112 | Y348 T446 A470 T471 H499 H501 | Y348-Y450 WeakPolarHBondContact OH-CE2 3.41Å; T446-Y450 WeakPolarHBondContact CA-O 3.44Å; Y450-A470 HydrophobicContact CD1-CB 4.44Å; Y450-T471 WeakPolarHBondContact CD1-O 3.31Å; Y450-H499 AromaticContact CZ-NE2 3.67Å; Y450-H499 PolarHBondContact OH-CE1 2.84Å; Y450-H499 PolarHBondContact OH-NE2 2.8Å; Y450-H501 AromaticContact CD1-CE1 3.91Å; Y450-H501 AromaticContact CE1-CE1 3.63Å; Y450-H501 AromaticContact CE1-NE2 3.68Å; Y450-H501 AromaticContact CZ-CE1 3.83Å; Y450-H501 AromaticContact CZ-NE2 3.85Å |
| 451 | D | 98.4 | Very high | 98 | Very high | 44 Ų | 44 | 18 Ų | 18 | 24% | 0.235 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 111.1 | 168.4 | -66 | -91.7 | 0 | 0 | 0 | 108.6 | T446 T471 G472 | T446-D451 WeakPolarHBondContact CB-OD1 3.27Å; T446-D451 WeakPolarHBondContact CG2-OD1 3.49Å; T446-D451 PolarHBondContact OG1-OD1 3.15Å; D451-T471 HydrophobicContact CB-CG2 3.67Å; D451-T471 PolarHBondContact N-O 2.92Å; D451-T471 PolarHBondContact O-N 3.27Å; D451-G472 VanDerWaalsContact OD2-CA 3.25Å; D451-G472 WeakPolarHBondContact OD2-CA 3.24Å |
| 452 | Y | 98.8 | Very high | 98 | Very high | 4 Ų | 4 | 18 Ų | 18 | 2% | 0.016 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 129.1 | 170.7 | -61.5 | -67.8 | 0 | 0 | 0 | 110.4 | D362 T444 S445 W454 V468 A470 H501 | D362-Y452 VanDerWaalsContact OD2-CE2 3.26Å; D362-Y452 WeakPolarHBondContact OD2-CE2 2.95Å; T444-Y452 CarbonylContact C-O 3.55Å; T444-Y452 WeakPolarHBondContact CA-O 3.33Å; T444-Y452 WeakPolarHBondContact CB-O 3.4Å; S445-Y452 PolarHBondContact N-O 3.43Å; S445-Y452 PolarHBondContact O-N 3.32Å; Y452-W454 VanDerWaalsContact CB-CE2 3.49Å; Y452-W454 HydrophobicContact CD1-CH2 4.44Å; Y452-W454 HydrophobicContact CD1-CZ2 4.48Å; Y452-W454 HydrophobicContact CD2-CH2 4.47Å; Y452-W454 AromaticContact CD2-CZ2 3.91Å; Y452-W454 HydrophobicContact CD2-CZ2 3.91Å; Y452-W454 HydrophobicContact CG-CH2 4.06Å; Y452-W454 AromaticContact CG-CZ2 3.67Å; Y452-W454 HydrophobicContact CG-CZ2 3.67Å; Y452-V468 HydrophobicContact CD1-CG2 4.17Å; Y452-A470 HydrophobicContact CD1-CB 4.17Å; Y452-A470 HydrophobicContact CE1-CB 4.16Å; Y452-H501 AromaticContact CE1-ND1 3.75Å; Y452-H501 AromaticContact CZ-ND1 3.93Å; Y452-H501 PolarHBondContact OH-ND1 3.03Å |
| 453 | I | 98.9 | Very high | 98 | Very high | 26 Ų | 26 | 16.3 Ų | 16.3 | 13% | 0.133 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 115.7 | 173.8 | -52.9 | 174 | 0 | 0 | 0 | 108.2 | R442 T444 V468 S469 T471 T677 | R442-I453 HydrophobicContact CG-CG2 3.99Å; T444-I453 HydrophobicContact CG2-CG1 4.16Å; I453-V468 VanDerWaalsContact O-CA 3.27Å; I453-V468 WeakPolarHBondContact O-CA 3.28Å; I453-S469 PolarHBondContact N-O 3Å; I453-S469 PolarHBondContact O-N 3.28Å; I453-T471 HydrophobicContact CD1-CG2 4.35Å; I453-T677 HydrophobicContact CD1-CG2 4.07Å |
| 454 | W | 98.8 | Very high | 98 | Very high | 4 Ų | 4 | 16.3 Ų | 16.3 | 2% | 0.015 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 115.3 | -176.6 | -50.1 | 106.5 | 0 | 0 | 0 | 110.7 | L323 L341 A344 M367 R442 T443 S445 Y452 V468 I503 | L323-W454 HydrophobicContact CD2-CB 4.3Å; L341-W454 HydrophobicContact CD1-CE3 4.39Å; L341-W454 HydrophobicContact CD1-CH2 4.07Å; L341-W454 HydrophobicContact CD1-CZ3 3.87Å; L341-W454 HydrophobicContact CD2-CD2 3.85Å; L341-W454 HydrophobicContact CD2-CE3 3.97Å; L341-W454 HydrophobicContact CD2-CH2 3.88Å; L341-W454 HydrophobicContact CD2-CZ2 3.72Å; L341-W454 HydrophobicContact CD2-CZ3 3.98Å; A344-W454 HydrophobicContact CB-CH2 4Å; A344-W454 HydrophobicContact CB-CZ2 4.46Å; M367-W454 HydrophobicContact SD-CZ2 4.06Å; R442-W454 VanDerWaalsContact CA-O 3.32Å; R442-W454 WeakPolarHBondContact CA-O 3.38Å; T443-W454 HydrophobicContact CG2-CB 4.13Å; T443-W454 HydrophobicContact CG2-CG 4.39Å; T443-W454 PolarHBondContact N-O 3.18Å; T443-W454 PolarHBondContact O-N 2.78Å; S445-W454 PolarHBondContact OG-NE1 2.61Å; Y452-W454 VanDerWaalsContact CB-CE2 3.49Å; Y452-W454 HydrophobicContact CD1-CH2 4.44Å; Y452-W454 HydrophobicContact CD1-CZ2 4.48Å; Y452-W454 HydrophobicContact CD2-CH2 4.47Å; Y452-W454 AromaticContact CD2-CZ2 3.91Å; Y452-W454 HydrophobicContact CD2-CZ2 3.91Å; Y452-W454 HydrophobicContact CG-CH2 4.06Å; Y452-W454 AromaticContact CG-CZ2 3.67Å; Y452-W454 HydrophobicContact CG-CZ2 3.67Å; W454-V468 HydrophobicContact CD2-CG2 4.32Å; W454-V468 HydrophobicContact CE3-CB 3.67Å; W454-V468 HydrophobicContact CE3-CG2 3.54Å; W454-V468 HydrophobicContact CH2-CG2 3.81Å; W454-V468 HydrophobicContact CZ3-CB 3.55Å; W454-V468 HydrophobicContact CZ3-CG1 4.27Å; W454-V468 HydrophobicContact CZ3-CG2 3.23Å; W454-I503 HydrophobicContact CH2-CG1 4.26Å; W454-I503 HydrophobicContact CH2-CG2 4.19Å; W454-I503 HydrophobicContact CZ3-CG1 4.26Å; W454-I503 HydrophobicContact CZ3-CG2 3.77Å |
| 455 | D | 98.9 | Very high | 98 | Very high | 2 Ų | 2 | 16.6 Ų | 16.6 | 1% | 0.011 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 135 | -178.4 | -71.1 | -15.8 | 0 | 0 | 0 | 112.4 | R442 L457 K467 | R442-D455 WeakPolarHBondContact CB-OD1 3.14Å; R442-D455 IonicContact CZ-OD1 2.71Å; R442-D455 IonicContact CZ-OD2 3.19Å; R442-D455 IonicContact NE-OD1 2.64Å; R442-D455 PolarHBondContact NE-OD1 2.8Å; R442-D455 IonicContact NE-OD2 3.85Å; R442-D455 VanDerWaalsContact NH2-CG 3.34Å; R442-D455 IonicContact NH2-OD1 3.31Å; R442-D455 PolarHBondContact NH2-OD1 2.77Å; R442-D455 VanDerWaalsContact NH2-OD1 3.14Å; R442-D455 IonicContact NH2-OD2 2.76Å; R442-D455 PolarHBondContact NH2-OD2 3.47Å; D455-L457 HydrophobicContact CB-CD1 3.63Å; D455-K467 HydrophobicContact CB-CB 4.23Å; D455-K467 PolarHBondContact N-O 3.32Å; D455-K467 PolarHBondContact O-N 2.93Å; D455-K467 WeakPolarHBondContact OD2-CE 3.49Å; D455-K467 IonicContact OD2-NZ 2.78Å; D455-K467 PolarHBondContact OD2-NZ 3.32Å; D455-K467 VanDerWaalsContact OD2-NZ 3.16Å |
| 456 | F | 98.9 | Very high | 98 | Very high | 4 Ų | 4 | 16.6 Ų | 16.6 | 2% | 0.018 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 124.3 | 151.2 | -73.2 | -89.8 | 0 | 0 | 0 | 109.4 | L323 V325 I339 V440 L441 F458 V464 E465 V466 | L323-F456 HydrophobicContact CB-CE2 4.44Å; L323-F456 HydrophobicContact CD2-CD2 3.6Å; L323-F456 HydrophobicContact CD2-CE2 3.9Å; L323-F456 HydrophobicContact CG-CD2 3.98Å; L323-F456 HydrophobicContact CG-CE2 3.85Å; V325-F456 HydrophobicContact CB-CE1 4.45Å; V325-F456 HydrophobicContact CB-CZ 4.49Å; V325-F456 HydrophobicContact CG2-CB 4.44Å; V325-F456 HydrophobicContact CG2-CD1 3.97Å; V325-F456 HydrophobicContact CG2-CD2 3.73Å; V325-F456 HydrophobicContact CG2-CE1 4.1Å; V325-F456 HydrophobicContact CG2-CE2 3.88Å; V325-F456 HydrophobicContact CG2-CG 3.79Å; V325-F456 HydrophobicContact CG2-CZ 4.05Å; I339-F456 HydrophobicContact CB-CE1 3.83Å; I339-F456 HydrophobicContact CB-CZ 4.18Å; I339-F456 HydrophobicContact CD1-CE1 4.48Å; I339-F456 HydrophobicContact CG2-CE1 3.58Å; I339-F456 HydrophobicContact CG2-CZ 3.95Å; V440-F456 WeakPolarHBondContact CA-O 3.32Å; L441-F456 HydrophobicContact CB-CB 4.33Å; L441-F456 HydrophobicContact CD2-CD2 4.44Å; L441-F456 PolarHBondContact N-O 3.14Å; L441-F456 PolarHBondContact O-N 3.14Å; F456-F458 HydrophobicContact CB-CE2 3.74Å; F456-F458 HydrophobicContact CB-CZ 3.7Å; F456-F458 HydrophobicContact CG-CZ 4.44Å; F456-V464 HydrophobicContact CD1-CG1 4.3Å; F456-E465 CarbonylContact C-O 3.47Å; F456-E465 WeakPolarHBondContact CA-O 3.24Å; F456-V466 HydrophobicContact CD1-CG2 3.75Å; F456-V466 HydrophobicContact CE1-CB 4.36Å; F456-V466 HydrophobicContact CE1-CG1 4.09Å; F456-V466 HydrophobicContact CE1-CG2 3.5Å; F456-V466 HydrophobicContact CZ-CG1 4.29Å; F456-V466 HydrophobicContact CZ-CG2 4.45Å |
| 457 | L | 98.9 | Very high | 98 | Very high | 8 Ų | 8 | 17.2 Ų | 17.2 | 4% | 0.042 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 130.2 | 175.1 | -51.7 | 83.9 | 0 | 0 | 0 | 110.7 | V438 L439 V440 D455 Y459 V464 E465 K467 | V438-L457 HydrophobicContact CG2-CD2 4.3Å; L439-L457 CarbonylContact O-C 3.51Å; L439-L457 VanDerWaalsContact O-CA 3.3Å; L439-L457 WeakPolarHBondContact O-CA 3.46Å; V440-L457 HydrophobicContact CG2-CD2 4.18Å; V440-L457 HydrophobicContact CG2-CG 4.14Å; D455-L457 HydrophobicContact CB-CD1 3.63Å; L457-Y459 HydrophobicContact CB-CE2 4Å; L457-V464 CarbonylContact O-C 3.58Å; L457-V464 WeakPolarHBondContact O-CA 3.35Å; L457-E465 HydrophobicContact CB-CB 4.15Å; L457-E465 HydrophobicContact CD1-CB 4.12Å; L457-E465 HydrophobicContact CD1-CG 4.04Å; L457-E465 PolarHBondContact N-O 2.89Å; L457-E465 PolarHBondContact O-N 3.24Å; L457-K467 HydrophobicContact CD1-CB 4.24Å |
| 458 | F | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 111.2 | -176 | -54.1 | -87.2 | 0 | 0 | 0 | 110.2 | W311 F313 V325 L328 L439 L441 F456 V464 | W311-F458 HydrophobicContact CD2-CB 4.09Å; W311-F458 HydrophobicContact CD2-CD1 4.07Å; W311-F458 HydrophobicContact CE3-CD1 4.16Å; W311-F458 HydrophobicContact CG-CB 3.97Å; W311-F458 HydrophobicContact CG-CD1 4.44Å; F313-F458 HydrophobicContact CD1-CD1 4.36Å; F313-F458 AromaticContact CD1-CE1 3.92Å; F313-F458 HydrophobicContact CD1-CE1 3.92Å; F313-F458 HydrophobicContact CD1-CE2 4.41Å; F313-F458 AromaticContact CD1-CZ 3.94Å; F313-F458 HydrophobicContact CD1-CZ 3.94Å; F313-F458 HydrophobicContact CD2-CZ 4.31Å; F313-F458 HydrophobicContact CE1-CD1 4.13Å; F313-F458 AromaticContact CE1-CD2 3.88Å; F313-F458 HydrophobicContact CE1-CD2 3.88Å; F313-F458 AromaticContact CE1-CE1 3.84Å; F313-F458 HydrophobicContact CE1-CE1 3.84Å; F313-F458 AromaticContact CE1-CE2 3.57Å; F313-F458 HydrophobicContact CE1-CE2 3.57Å; F313-F458 HydrophobicContact CE1-CG 4.14Å; F313-F458 AromaticContact CE1-CZ 3.54Å; F313-F458 HydrophobicContact CE1-CZ 3.54Å; F313-F458 HydrophobicContact CE2-CE2 4.12Å; F313-F458 AromaticContact CE2-CZ 3.95Å; F313-F458 HydrophobicContact CE2-CZ 3.95Å; F313-F458 HydrophobicContact CG-CE1 4.46Å; F313-F458 HydrophobicContact CG-CZ 4.31Å; F313-F458 HydrophobicContact CZ-CD2 4.03Å; F313-F458 HydrophobicContact CZ-CE1 4.31Å; F313-F458 AromaticContact CZ-CE2 3.38Å; F313-F458 HydrophobicContact CZ-CE2 3.38Å; F313-F458 AromaticContact CZ-CZ 3.54Å; F313-F458 HydrophobicContact CZ-CZ 3.54Å; V325-F458 HydrophobicContact CG1-CZ 4.49Å; V325-F458 HydrophobicContact CG2-CZ 4.27Å; L328-F458 HydrophobicContact CD1-CD1 4.07Å; L328-F458 HydrophobicContact CD1-CE1 3.64Å; L439-F458 HydrophobicContact CB-CB 4.31Å; L439-F458 HydrophobicContact CB-CD2 4.36Å; L439-F458 HydrophobicContact CD2-CD2 4.07Å; L439-F458 HydrophobicContact CG-CD2 4.47Å; L439-F458 PolarHBondContact N-O 3.25Å; L439-F458 PolarHBondContact O-N 3.09Å; L441-F458 HydrophobicContact CB-CE2 4.2Å; F456-F458 HydrophobicContact CB-CE2 3.74Å; F456-F458 HydrophobicContact CB-CZ 3.7Å; F456-F458 HydrophobicContact CG-CZ 4.44Å; F458-V464 HydrophobicContact CD1-CG1 4.28Å; F458-V464 HydrophobicContact CD1-CG2 3.81Å; F458-V464 HydrophobicContact CE1-CG1 4.18Å; F458-V464 HydrophobicContact CE1-CG2 4.19Å |
| 459 | Y | 98.7 | Very high | 98.4 | Very high | 34 Ų | 34 | 13.2 Ų | 13.2 | 13% | 0.133 | 7% | 0.067 | C | C | . | . | trans | -92.1 | 148.6 | -175.4 | -67.9 | -104.9 | 0 | 0 | 0 | 111.8 | W311 V438 L457 N461 G462 V463 E465 F685 | W311-Y459 WeakPolarHBondContact CZ2-O 3.22Å; W311-Y459 PolarHBondContact NE1-O 2.97Å; V438-Y459 HydrophobicContact CG1-CD1 3.34Å; V438-Y459 HydrophobicContact CG1-CD2 4.21Å; V438-Y459 HydrophobicContact CG1-CE1 3.42Å; V438-Y459 VanDerWaalsContact CG1-CE1 3.42Å; V438-Y459 HydrophobicContact CG1-CE2 4.27Å; V438-Y459 HydrophobicContact CG1-CG 3.76Å; L457-Y459 HydrophobicContact CB-CE2 4Å; Y459-N461 VanDerWaalsContact CB-OD1 3.26Å; Y459-N461 WeakPolarHBondContact CB-OD1 3.33Å; Y459-N461 PolarHBondContact O-N 2.85Å; Y459-G462 PolarHBondContact O-N 3.49Å; Y459-G462 VanDerWaalsContact O-N 3.15Å; Y459-V463 WeakPolarHBondContact CB-O 3.28Å; Y459-V463 HydrophobicContact CD2-CB 4.22Å; Y459-V463 HydrophobicContact CD2-CG1 4.01Å; Y459-V463 WeakPolarHBondContact CD2-O 3.11Å; Y459-V463 HydrophobicContact CG-CB 4.27Å; Y459-V463 HydrophobicContact CG-CG1 4.46Å; Y459-V463 PolarHBondContact N-O 3.43Å; Y459-E465 HydrophobicContact CE2-CB 3.79Å; Y459-E465 WeakPolarHBondContact CE2-OE2 3.24Å; Y459-E465 PolarHBondContact OH-OE2 3.29Å; Y459-F685 HydrophobicContact CE2-CE1 4.44Å | ||
| 460 | P | 97.3 | Very high | 98.5 | Very high | 18 Ų | 18 | 12.9 Ų | 12.9 | 12% | 0.117 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -12.2 | -175.7 | -20.3 | 34.3 | 0 | 0 | 0 | 114.4 | F330 L416 T437 G462 | F330-P460 WeakPolarHBondContact CZ-O 2.95Å; L416-P460 HydrophobicContact CD2-CB 4.26Å; L416-P460 HydrophobicContact CD2-CG 4.46Å; T437-P460 WeakPolarHBondContact O-CD 3.46Å; T437-P460 WeakPolarHBondContact O-CG 3.17Å; P460-G462 VanDerWaalsContact C-N 3.35Å |
| 461 | N | 98.2 | Very high | 98.6 | Very high | 34 Ų | 34 | 14 Ų | 14 | 18% | 0.182 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 13.8 | 176.9 | 67.9 | -12.2 | 0 | 0 | 0 | 113.6 | L416 Y459 V463 P696 | L416-N461 HydrophobicContact CD1-CB 4.36Å; L416-N461 HydrophobicContact CD2-CB 4.27Å; Y459-N461 VanDerWaalsContact CB-OD1 3.26Å; Y459-N461 WeakPolarHBondContact CB-OD1 3.33Å; Y459-N461 PolarHBondContact O-N 2.85Å; N461-V463 WeakPolarHBondContact OD1-CB 3.42Å; N461-V463 VanDerWaalsContact OD1-CG2 3.32Å; N461-V463 WeakPolarHBondContact OD1-CG2 3.11Å; N461-V463 PolarHBondContact OD1-N 3.2Å; N461-P696 VanDerWaalsContact C-CG 3.46Å; N461-P696 WeakPolarHBondContact O-CG 3.46Å |
| 462 | G | 98.3 | Very high | 98.6 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.061 | C | C | . | . | S | Bend | trans | 81.2 | 11.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | W311 Y459 P460 Y583 P688 | W311-G462 VanDerWaalsContact CH2-C 3.5Å; W311-G462 WeakPolarHBondContact CH2-O 3.4Å; W311-G462 VanDerWaalsContact CZ2-CA 3.4Å; Y459-G462 PolarHBondContact O-N 3.49Å; Y459-G462 VanDerWaalsContact O-N 3.15Å; P460-G462 VanDerWaalsContact C-N 3.35Å; G462-Y583 WeakPolarHBondContact O-CE1 3.47Å; G462-Y583 PolarHBondContact O-OH 3.07Å; G462-P688 WeakPolarHBondContact O-CD 3.4Å |
| 463 | V | 98.9 | Very high | 98.6 | Very high | 9 Ų | 9 | 12.8 Ų | 12.8 | 6% | 0.055 | 7% | 0.065 | C | C | . | . | trans | -85.8 | 137.2 | 171.3 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | W311 Y459 N461 F685 L686 R687 | W311-V463 VanDerWaalsContact CZ2-O 3.31Å; W311-V463 WeakPolarHBondContact CZ2-O 3.05Å; Y459-V463 WeakPolarHBondContact CB-O 3.28Å; Y459-V463 HydrophobicContact CD2-CB 4.22Å; Y459-V463 HydrophobicContact CD2-CG1 4.01Å; Y459-V463 WeakPolarHBondContact CD2-O 3.11Å; Y459-V463 HydrophobicContact CG-CB 4.27Å; Y459-V463 HydrophobicContact CG-CG1 4.46Å; Y459-V463 PolarHBondContact N-O 3.43Å; N461-V463 WeakPolarHBondContact OD1-CB 3.42Å; N461-V463 VanDerWaalsContact OD1-CG2 3.32Å; N461-V463 WeakPolarHBondContact OD1-CG2 3.11Å; N461-V463 PolarHBondContact OD1-N 3.2Å; V463-F685 HydrophobicContact CG1-CB 4.43Å; V463-F685 HydrophobicContact CG1-CD1 3.89Å; V463-L686 WeakPolarHBondContact CA-O 3.24Å; V463-R687 HydrophobicContact CG1-CG 4.04Å; V463-R687 HydrophobicContact CG2-CB 4.22Å; V463-R687 HydrophobicContact CG2-CG 3.98Å | ||
| 464 | V | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 11.5 Ų | 11.5 | 1% | 0.006 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 139.3 | 164.3 | -179.3 | 0 | 0 | 0 | 0 | 109.1 | W311 L328 F456 L457 F458 F685 L686 | W311-V464 HydrophobicContact CE3-CG2 4.42Å; W311-V464 HydrophobicContact CH2-CG2 3.23Å; W311-V464 HydrophobicContact CZ2-CG2 3.83Å; W311-V464 HydrophobicContact CZ3-CG2 3.58Å; L328-V464 HydrophobicContact CD2-CG2 3.75Å; F456-V464 HydrophobicContact CD1-CG1 4.3Å; L457-V464 CarbonylContact O-C 3.58Å; L457-V464 WeakPolarHBondContact O-CA 3.35Å; F458-V464 HydrophobicContact CD1-CG1 4.28Å; F458-V464 HydrophobicContact CD1-CG2 3.81Å; F458-V464 HydrophobicContact CE1-CG1 4.18Å; F458-V464 HydrophobicContact CE1-CG2 4.19Å; V464-F685 CarbonylContact O-C 3.56Å; V464-F685 VanDerWaalsContact O-CA 3.25Å; V464-F685 WeakPolarHBondContact O-CA 3.25Å; V464-L686 HydrophobicContact CB-CB 4.4Å; V464-L686 PolarHBondContact N-O 3.43Å; V464-L686 PolarHBondContact O-N 3.34Å |
| 465 | E | 98.8 | Very high | 98.5 | Very high | 18 Ų | 18 | 11.5 Ų | 11.5 | 8% | 0.084 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 130.6 | 169.1 | -179.5 | -178.4 | 176.7 | 0 | 0 | 109 | F456 L457 Y459 K467 F685 | F456-E465 CarbonylContact C-O 3.47Å; F456-E465 WeakPolarHBondContact CA-O 3.24Å; L457-E465 HydrophobicContact CB-CB 4.15Å; L457-E465 HydrophobicContact CD1-CB 4.12Å; L457-E465 HydrophobicContact CD1-CG 4.04Å; L457-E465 PolarHBondContact N-O 2.89Å; L457-E465 PolarHBondContact O-N 3.24Å; Y459-E465 HydrophobicContact CE2-CB 3.79Å; Y459-E465 WeakPolarHBondContact CE2-OE2 3.24Å; Y459-E465 PolarHBondContact OH-OE2 3.29Å; E465-K467 HydrophobicContact CG-CB 4.36Å; E465-F685 HydrophobicContact CB-CD1 3.61Å; E465-F685 HydrophobicContact CB-CE1 3.55Å; E465-F685 HydrophobicContact CB-CG 4.45Å; E465-F685 HydrophobicContact CB-CZ 4.31Å; E465-F685 HydrophobicContact CG-CD1 3.84Å; E465-F685 HydrophobicContact CG-CE1 3.42Å; E465-F685 VanDerWaalsContact CG-CE1 3.42Å; E465-F685 HydrophobicContact CG-CE2 4.3Å; E465-F685 HydrophobicContact CG-CG 4.44Å; E465-F685 HydrophobicContact CG-CZ 3.67Å; E465-F685 VanDerWaalsContact OE2-CE1 3.27Å; E465-F685 WeakPolarHBondContact OE2-CE1 3.02Å |
| 466 | V | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 11.4 Ų | 11.4 | 1% | 0.006 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 124.2 | 169.7 | -173.8 | 0 | 0 | 0 | 0 | 106.3 | I339 F456 Y505 G683 F684 | I339-V466 HydrophobicContact CG2-CG2 4.13Å; F456-V466 HydrophobicContact CD1-CG2 3.75Å; F456-V466 HydrophobicContact CE1-CB 4.36Å; F456-V466 HydrophobicContact CE1-CG1 4.09Å; F456-V466 HydrophobicContact CE1-CG2 3.5Å; F456-V466 HydrophobicContact CZ-CG1 4.29Å; F456-V466 HydrophobicContact CZ-CG2 4.45Å; V466-Y505 HydrophobicContact CG1-CD1 3.94Å; V466-Y505 HydrophobicContact CG1-CE1 3.51Å; V466-Y505 HydrophobicContact CG1-CE2 4.39Å; V466-G683 CarbonylContact O-C 3.37Å; V466-G683 WeakPolarHBondContact O-CA 3.2Å; V466-F684 HydrophobicContact CB-CD1 4.14Å; V466-F684 HydrophobicContact CB-CD2 4.46Å; V466-F684 HydrophobicContact CB-CE1 3.72Å; V466-F684 HydrophobicContact CB-CE2 4.07Å; V466-F684 HydrophobicContact CB-CG 4.49Å; V466-F684 HydrophobicContact CB-CZ 3.68Å; V466-F684 HydrophobicContact CG1-CE1 3.9Å; V466-F684 HydrophobicContact CG1-CZ 4.06Å; V466-F684 HydrophobicContact CG2-CD2 4.3Å; V466-F684 HydrophobicContact CG2-CE1 4.06Å; V466-F684 HydrophobicContact CG2-CE2 3.6Å; V466-F684 HydrophobicContact CG2-CZ 3.47Å; V466-F684 VanDerWaalsContact CG2-CZ 3.47Å; V466-F684 PolarHBondContact N-O 3.48Å; V466-F684 PolarHBondContact O-N 2.9Å |
| 467 | K | 98.8 | Very high | 98.5 | Very high | 39 Ų | 39 | 11.2 Ų | 11.2 | 17% | 0.17 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 138 | -172.8 | -179.5 | -176.2 | 70.9 | -167.5 | 0 | 110.4 | D455 L457 E465 A681 V682 | D455-K467 HydrophobicContact CB-CB 4.23Å; D455-K467 PolarHBondContact N-O 3.32Å; D455-K467 PolarHBondContact O-N 2.93Å; D455-K467 WeakPolarHBondContact OD2-CE 3.49Å; D455-K467 IonicContact OD2-NZ 2.78Å; D455-K467 PolarHBondContact OD2-NZ 3.32Å; D455-K467 VanDerWaalsContact OD2-NZ 3.16Å; L457-K467 HydrophobicContact CD1-CB 4.24Å; E465-K467 HydrophobicContact CG-CB 4.36Å; K467-A681 HydrophobicContact CD-CB 4.2Å; K467-A681 HydrophobicContact CG-CB 4.24Å; K467-V682 WeakPolarHBondContact CA-O 3.45Å |
| 468 | V | 98.6 | Very high | 98.4 | Very high | 3 Ų | 3 | 11 Ų | 11 | 2% | 0.018 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 139 | 167.2 | 56.2 | 0 | 0 | 0 | 0 | 109.1 | Y452 I453 W454 I503 A681 V682 | Y452-V468 HydrophobicContact CD1-CG2 4.17Å; I453-V468 VanDerWaalsContact O-CA 3.27Å; I453-V468 WeakPolarHBondContact O-CA 3.28Å; W454-V468 HydrophobicContact CD2-CG2 4.32Å; W454-V468 HydrophobicContact CE3-CB 3.67Å; W454-V468 HydrophobicContact CE3-CG2 3.54Å; W454-V468 HydrophobicContact CH2-CG2 3.81Å; W454-V468 HydrophobicContact CZ3-CB 3.55Å; W454-V468 HydrophobicContact CZ3-CG1 4.27Å; W454-V468 HydrophobicContact CZ3-CG2 3.23Å; V468-I503 HydrophobicContact CG1-CD1 3.98Å; V468-I503 HydrophobicContact CG1-CG1 4.1Å; V468-A681 CarbonylContact O-C 3.53Å; V468-A681 VanDerWaalsContact O-CA 3.27Å; V468-A681 WeakPolarHBondContact O-CA 3.37Å; V468-V682 HydrophobicContact CG1-CG2 3.58Å; V468-V682 WeakPolarHBondContact CG1-O 3.49Å; V468-V682 PolarHBondContact N-O 3.09Å; V468-V682 PolarHBondContact O-N 3.36Å |
| 469 | S | 98.6 | Very high | 98.4 | Very high | 12 Ų | 12 | 12.7 Ų | 12.7 | 8% | 0.084 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 134.1 | 167.8 | -60.3 | 0 | 0 | 0 | 0 | 109.4 | I453 A681 | I453-S469 PolarHBondContact N-O 3Å; I453-S469 PolarHBondContact O-N 3.28Å; S469-A681 WeakPolarHBondContact OG-CB 3.41Å |
| 470 | A | 97.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 11.1 Ų | 11.1 | 2% | 0.017 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 135.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y450 Y452 F663 N680 | Y450-A470 HydrophobicContact CD1-CB 4.44Å; Y452-A470 HydrophobicContact CD1-CB 4.17Å; Y452-A470 HydrophobicContact CE1-CB 4.16Å; A470-F663 HydrophobicContact CB-CZ 4.06Å; A470-N680 PolarHBondContact N-O 3.32Å |
| 471 | T | 98.6 | Very high | 98.2 | Very high | 30 Ų | 30 | 14.9 Ų | 14.9 | 18% | 0.184 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | -163.8 | 169.1 | -168.6 | 0 | 0 | 0 | 0 | 108.7 | Y450 D451 I453 T675 T677 | Y450-T471 WeakPolarHBondContact CD1-O 3.31Å; D451-T471 HydrophobicContact CB-CG2 3.67Å; D451-T471 PolarHBondContact N-O 2.92Å; D451-T471 PolarHBondContact O-N 3.27Å; I453-T471 HydrophobicContact CD1-CG2 4.35Å; T471-T675 VanDerWaalsContact CA-O 3.23Å; T471-T675 WeakPolarHBondContact CA-O 3.47Å; T471-T675 VanDerWaalsContact CB-O 3.29Å; T471-T675 WeakPolarHBondContact CB-O 3.45Å; T471-T675 PolarHBondContact OG1-O 3.27Å; T471-T677 HydrophobicContact CG2-CG2 4.31Å |
| 472 | G | 98.2 | Very high | 98.1 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 89.1 | -169.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D451 N674 T675 | D451-G472 VanDerWaalsContact OD2-CA 3.25Å; D451-G472 WeakPolarHBondContact OD2-CA 3.24Å; G472-N674 VanDerWaalsContact C-OD1 3.25Å; G472-N674 WeakPolarHBondContact CA-OD1 3.29Å; G472-N674 CarbonylContact O-C 3.54Å; G472-N674 VanDerWaalsContact O-CA 3.25Å; G472-N674 WeakPolarHBondContact O-CA 3.29Å; G472-N674 WeakPolarHBondContact O-CB 3.42Å; G472-N674 PolarHBondContact O-ND2 2.84Å; G472-T675 PolarHBondContact O-N 3.14Å |
| 473 | Y | 98.8 | Very high | 98.1 | Very high | 23 Ų | 23 | 17.8 Ų | 17.8 | 9% | 0.09 | 10% | 0.098 | C | C | . | . | P | Polyproline II helix | trans | -81.4 | 141.7 | -179.6 | -70.5 | -88.6 | 0 | 0 | 0 | 111 | F210 I211 S272 Y274 N449 P673 N674 | F210-Y473 HydrophobicContact CB-CG 4.45Å; F210-Y473 HydrophobicContact CD2-CD1 4.23Å; F210-Y473 AromaticContact CD2-CD2 3.53Å; F210-Y473 HydrophobicContact CD2-CD2 3.53Å; F210-Y473 HydrophobicContact CD2-CE2 4.25Å; F210-Y473 AromaticContact CD2-CG 3.52Å; F210-Y473 HydrophobicContact CD2-CG 3.52Å; F210-Y473 AromaticContact CE2-CD2 3.72Å; F210-Y473 HydrophobicContact CE2-CD2 3.72Å; F210-Y473 HydrophobicContact CE2-CE2 4.3Å; F210-Y473 HydrophobicContact CE2-CG 4.2Å; F210-Y473 HydrophobicContact CG-CG 4.37Å; I211-Y473 HydrophobicContact CD1-CD1 4.03Å; I211-Y473 HydrophobicContact CD1-CE1 4.15Å; I211-Y473 HydrophobicContact CG1-CD1 4.25Å; S272-Y473 WeakPolarHBondContact O-CE1 3.28Å; S272-Y473 PolarHBondContact O-OH 3.35Å; Y274-Y473 HydrophobicContact CE2-CE2 4.38Å; N449-Y473 CarbonylContact C-O 3.49Å; N449-Y473 PolarHBondContact ND2-O 2.88Å; N449-Y473 PolarHBondContact O-N 3.42Å; Y473-P673 VanDerWaalsContact CD1-O 3.25Å; Y473-P673 WeakPolarHBondContact CD1-O 3.46Å; Y473-P673 HydrophobicContact CE1-CB 4.22Å; Y473-P673 WeakPolarHBondContact CE1-O 3.28Å; Y473-N674 WeakPolarHBondContact CD1-ND2 3.31Å; Y473-N674 WeakPolarHBondContact CD2-ND2 3.02Å; Y473-N674 WeakPolarHBondContact CE1-ND2 3.38Å; Y473-N674 VanDerWaalsContact CE2-ND2 3.33Å; Y473-N674 WeakPolarHBondContact CE2-ND2 3.43Å; Y473-N674 VanDerWaalsContact CZ-ND2 3.31Å; Y473-N674 PolarHBondContact N-ND2 3.32Å |
| 474 | I | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.119 | C | C | . | . | P | Polyproline II helix | trans | -67.7 | 151.8 | 169 | 62.7 | 175.1 | 0 | 0 | 0 | 111 | I211 A476 V490 P667 D671 T675 | I211-I474 HydrophobicContact CG2-CD1 4.47Å; I211-I474 HydrophobicContact CG2-CG1 3.78Å; I474-A476 HydrophobicContact CD1-CB 4.41Å; I474-A476 HydrophobicContact CG1-CB 4.31Å; I474-A476 PolarHBondContact O-N 3.44Å; I474-V490 HydrophobicContact CD1-CG2 4.24Å; I474-P667 HydrophobicContact CD1-CB 3.94Å; I474-P667 HydrophobicContact CD1-CG 4.48Å; I474-P667 HydrophobicContact CG2-CB 4.38Å; I474-P667 HydrophobicContact CG2-CG 4.46Å; I474-D671 HydrophobicContact CG2-CB 4Å; I474-T675 WeakPolarHBondContact CG2-OG1 3.29Å |
| 475 | H | 98 | Very high | 98 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 1% | 0.014 | 15% | 0.152 | C | C | . | . | P | Polyproline II helix | trans | -79 | 116.8 | 164.2 | 176.1 | 62.3 | 0 | 0 | 0 | 107.9 | Y348 T358 N449 | Y348-H475 HydrophobicContact CD1-CB 4.46Å; Y348-H475 AromaticContact CD1-CD2 3.83Å; Y348-H475 HydrophobicContact CE1-CB 3.64Å; Y348-H475 AromaticContact CE1-CD2 3.87Å; Y348-H475 HydrophobicContact CE2-CB 4.4Å; T358-H475 PolarHBondContact OG1-NE2 3.26Å; N449-H475 PolarHBondContact ND2-N 3.14Å; N449-H475 VanDerWaalsContact ND2-N 3.19Å |
| 476 | A | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 143.3 | -174 | 0 | 0 | 0 | 0 | 0 | 111.6 | M201 I211 I474 V494 L495 | M201-A476 WeakPolarHBondContact CE-O 3.23Å; I211-A476 HydrophobicContact CB-CB 4.49Å; I211-A476 HydrophobicContact CG2-CB 3.93Å; I474-A476 HydrophobicContact CD1-CB 4.41Å; I474-A476 HydrophobicContact CG1-CB 4.31Å; I474-A476 PolarHBondContact O-N 3.44Å; A476-V494 HydrophobicContact CB-CG1 3.66Å; A476-L495 VanDerWaalsContact CA-O 3.29Å; A476-L495 WeakPolarHBondContact CA-O 3.45Å; A476-L495 VanDerWaalsContact CB-O 3.31Å; A476-L495 WeakPolarHBondContact CB-O 3.4Å |
| 477 | T | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 169.2 | 174.7 | 61.8 | 0 | 0 | 0 | 0 | 112 | M201 P213 A355 F479 L495 N497 | M201-T477 HydrophobicContact CE-CG2 4.42Å; M201-T477 HydrophobicContact SD-CG2 4.26Å; P213-T477 VanDerWaalsContact CG-C 3.42Å; P213-T477 WeakPolarHBondContact CG-O 3.43Å; A355-T477 HydrophobicContact CB-CG2 3.6Å; T477-F479 PolarHBondContact O-N 3.11Å; T477-L495 PolarHBondContact N-O 3.02Å; T477-L495 VanDerWaalsContact N-O 3.15Å; T477-L495 PolarHBondContact O-N 3.32Å; T477-N497 PolarHBondContact N-OD1 2.71Å; T477-N497 PolarHBondContact OG1-ND2 3.33Å; T477-N497 VanDerWaalsContact OG1-ND2 3.07Å; T477-N497 PolarHBondContact OG1-OD1 2.59Å; T477-N497 VanDerWaalsContact OG1-OD1 3.08Å |
| 478 | F | 98.1 | Very high | 98 | Very high | 3 Ų | 3 | 34 Ų | 34 | 1% | 0.013 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 133.9 | 178 | -172.3 | -107.2 | 0 | 0 | 0 | 110.7 | P213 G215 W236 L260 L262 T480 Y493 | P213-F478 HydrophobicContact CB-CB 4.22Å; P213-F478 HydrophobicContact CG-CB 4.43Å; G215-F478 VanDerWaalsContact CA-CB 3.46Å; W236-F478 HydrophobicContact CH2-CB 4.48Å; W236-F478 HydrophobicContact CH2-CD1 4.28Å; W236-F478 HydrophobicContact CZ3-CB 4.46Å; L260-F478 HydrophobicContact CD1-CE1 3.82Å; L260-F478 HydrophobicContact CD1-CE2 4.44Å; L260-F478 HydrophobicContact CD1-CZ 3.52Å; L260-F478 HydrophobicContact CD2-CZ 4.49Å; L262-F478 HydrophobicContact CD2-CE2 3.67Å; L262-F478 HydrophobicContact CD2-CZ 4.25Å; F478-T480 HydrophobicContact CD1-CG2 4.43Å; F478-T480 PolarHBondContact O-N 3.47Å; F478-Y493 AromaticContact CE2-CD1 3.66Å; F478-Y493 HydrophobicContact CE2-CD1 3.66Å; F478-Y493 HydrophobicContact CE2-CG 4.13Å; F478-Y493 AromaticContact CZ-CD1 3.66Å; F478-Y493 HydrophobicContact CZ-CD1 3.66Å; F478-Y493 HydrophobicContact CZ-CE1 4.38Å |
| 479 | F | 97.8 | Very high | 98 | Very high | 36 Ų | 36 | 38 Ų | 38 | 16% | 0.158 | 20% | 0.196 | C | C | . | . | trans | -70.8 | 126.5 | 179.5 | 170.3 | -102.6 | 0 | 0 | 0 | 111.4 | T477 L484 K489 Y493 L495 | T477-F479 PolarHBondContact O-N 3.11Å; F479-L484 HydrophobicContact CE2-CD1 4.46Å; F479-L484 HydrophobicContact CE2-CD2 3.93Å; F479-L484 HydrophobicContact CE2-CG 3.98Å; F479-K489 HydrophobicContact CD1-CD 4.15Å; F479-K489 HydrophobicContact CD2-CB 3.88Å; F479-K489 HydrophobicContact CD2-CD 4Å; F479-K489 HydrophobicContact CD2-CG 3.81Å; F479-K489 HydrophobicContact CE1-CD 3.97Å; F479-K489 HydrophobicContact CE2-CB 3.83Å; F479-K489 HydrophobicContact CE2-CD 3.81Å; F479-K489 HydrophobicContact CE2-CG 3.98Å; F479-K489 HydrophobicContact CG-CD 4.17Å; F479-K489 HydrophobicContact CG-CG 4.16Å; F479-K489 HydrophobicContact CZ-CD 3.8Å; F479-K489 HydrophobicContact CZ-CG 4.47Å; F479-Y493 VanDerWaalsContact CB-C 3.42Å; F479-Y493 PolarHBondContact N-O 3.11Å; F479-L495 HydrophobicContact CB-CB 4.48Å; F479-L495 HydrophobicContact CD2-CD1 4.16Å | ||
| 480 | T | 96 | Very high | 97.9 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | trans | -123.7 | 155.6 | 165.7 | 72.3 | 0 | 0 | 0 | 0 | 108.4 | W236 S239 D351 F478 N482 G483 | W236-T480 HydrophobicContact CH2-CG2 4.07Å; W236-T480 HydrophobicContact CZ2-CG2 4.08Å; S239-T480 VanDerWaalsContact OG-CG2 3.23Å; S239-T480 WeakPolarHBondContact OG-CG2 3.33Å; D351-T480 PolarHBondContact OD2-OG1 3.3Å; F478-T480 HydrophobicContact CD1-CG2 4.43Å; F478-T480 PolarHBondContact O-N 3.47Å; T480-N482 PolarHBondContact O-N 3.27Å; T480-G483 WeakPolarHBondContact O-CA 3.45Å; T480-G483 PolarHBondContact O-N 2.87Å; T480-G483 PolarHBondContact OG1-N 3.03Å | ||
| 481 | P | 96.1 | Very high | 97.9 | Very high | 97 Ų | 97 | 42.7 Ų | 42.7 | 63% | 0.63 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -55.6 | -38.1 | 174.2 | -27.6 | 36 | 0 | 0 | 0 | 113.5 | G483 L484 | P481-G483 VanDerWaalsContact C-N 3.27Å; P481-G483 PolarHBondContact O-N 2.71Å; P481-L484 PolarHBondContact O-N 2.78Å |
| 482 | N | 97 | Very high | 97.6 | Very high | 95 Ų | 95 | 45.4 Ų | 45.4 | 51% | 0.508 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -68.7 | -26.3 | 176.7 | -73.6 | -11.1 | 0 | 0 | 0 | 112.7 | D351 T480 L484 H485 | D351-N482 HydrophobicContact CB-CB 4.41Å; D351-N482 VanDerWaalsContact OD1-CB 3.25Å; D351-N482 WeakPolarHBondContact OD1-CB 3.21Å; T480-N482 PolarHBondContact O-N 3.27Å; N482-L484 PolarHBondContact O-N 3.21Å; N482-L484 VanDerWaalsContact O-N 3.09Å; N482-H485 PolarHBondContact O-CD2 2.99Å; N482-H485 PolarHBondContact O-N 3.39Å; N482-H485 VanDerWaalsContact O-N 3.09Å |
| 483 | G | 97.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -54.5 | -25.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | T480 P481 H485 Y486 G487 L495 | T480-G483 WeakPolarHBondContact O-CA 3.45Å; T480-G483 PolarHBondContact O-N 2.87Å; T480-G483 PolarHBondContact OG1-N 3.03Å; P481-G483 VanDerWaalsContact C-N 3.27Å; P481-G483 PolarHBondContact O-N 2.71Å; G483-H485 PolarHBondContact O-N 3.44Å; G483-H485 VanDerWaalsContact O-N 3.14Å; G483-Y486 CarbonylContact O-C 3.48Å; G483-Y486 WeakPolarHBondContact O-CA 3.43Å; G483-Y486 PolarHBondContact O-N 2.83Å; G483-G487 PolarHBondContact O-N 3.46Å; G483-L495 WeakPolarHBondContact O-CD2 3.26Å |
| 484 | L | 98.1 | Very high | 97.3 | Very high | 97 Ų | 97 | 48.3 Ų | 48.3 | 51% | 0.508 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -64.1 | -15.9 | 177.3 | -66 | 176.8 | 0 | 0 | 0 | 114.1 | F479 P481 N482 Y486 K489 | F479-L484 HydrophobicContact CE2-CD1 4.46Å; F479-L484 HydrophobicContact CE2-CD2 3.93Å; F479-L484 HydrophobicContact CE2-CG 3.98Å; P481-L484 PolarHBondContact O-N 2.78Å; N482-L484 PolarHBondContact O-N 3.21Å; N482-L484 VanDerWaalsContact O-N 3.09Å; L484-Y486 PolarHBondContact O-N 3.48Å; L484-K489 HydrophobicContact CD2-CB 4.12Å |
| 485 | H | 98 | Very high | 97.4 | Very high | 152 Ų | 152 | 48.4 Ų | 48.4 | 70% | 0.704 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -74.4 | -15.8 | 170.2 | -68.4 | -59.1 | 0 | 0 | 0 | 113.3 | N482 G483 | N482-H485 PolarHBondContact O-CD2 2.99Å; N482-H485 PolarHBondContact O-N 3.39Å; N482-H485 VanDerWaalsContact O-N 3.09Å; G483-H485 PolarHBondContact O-N 3.44Å; G483-H485 VanDerWaalsContact O-N 3.14Å |
| 486 | Y | 98.3 | Very high | 97.4 | Very high | 97 Ų | 97 | 48.2 Ų | 48.2 | 38% | 0.38 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -128.6 | 15.9 | -169.9 | -53.4 | -70.8 | 0 | 0 | 0 | 112.9 | A349 D351 G483 L484 L498 | A349-Y486 HydrophobicContact CB-CD1 3.96Å; D351-Y486 HydrophobicContact CB-CD2 4.07Å; D351-Y486 HydrophobicContact CB-CE2 4.33Å; G483-Y486 CarbonylContact O-C 3.48Å; G483-Y486 WeakPolarHBondContact O-CA 3.43Å; G483-Y486 PolarHBondContact O-N 2.83Å; L484-Y486 PolarHBondContact O-N 3.48Å; Y486-L498 WeakPolarHBondContact O-CB 3.36Å; Y486-L498 PolarHBondContact O-N 3.22Å |
| 487 | G | 98.2 | Very high | 97.4 | Very high | 14 Ų | 14 | 48.2 Ų | 48.2 | 14% | 0.144 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165.6 | -167.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G483 G496 | G483-G487 PolarHBondContact O-N 3.46Å; G487-G496 WeakPolarHBondContact CA-O 3.42Å |
| 488 | T | 98.7 | Very high | 97.4 | Very high | 48 Ų | 48 | 50.5 Ų | 50.5 | 29% | 0.294 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 137.7 | -179.9 | -51.2 | 0 | 0 | 0 | 0 | 109.7 | V490 G496 P667 | T488-V490 PolarHBondContact O-N 3.1Å; T488-V490 VanDerWaalsContact O-N 3.15Å; T488-G496 PolarHBondContact N-O 3.32Å; T488-G496 VanDerWaalsContact N-O 3.07Å; T488-G496 PolarHBondContact O-N 2.71Å; T488-P667 WeakPolarHBondContact CB-O 3.49Å; T488-P667 PolarHBondContact OG1-O 3.12Å |
| 489 | K | 98.4 | Very high | 97.4 | Very high | 88 Ų | 88 | 50.4 Ų | 50.4 | 38% | 0.383 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 107.5 | 166.9 | -175.3 | -178.7 | -176.9 | 170.1 | 0 | 108.6 | F479 L484 Y491 D492 | F479-K489 HydrophobicContact CD1-CD 4.15Å; F479-K489 HydrophobicContact CD2-CB 3.88Å; F479-K489 HydrophobicContact CD2-CD 4Å; F479-K489 HydrophobicContact CD2-CG 3.81Å; F479-K489 HydrophobicContact CE1-CD 3.97Å; F479-K489 HydrophobicContact CE2-CB 3.83Å; F479-K489 HydrophobicContact CE2-CD 3.81Å; F479-K489 HydrophobicContact CE2-CG 3.98Å; F479-K489 HydrophobicContact CG-CD 4.17Å; F479-K489 HydrophobicContact CG-CG 4.16Å; F479-K489 HydrophobicContact CZ-CD 3.8Å; F479-K489 HydrophobicContact CZ-CG 4.47Å; L484-K489 HydrophobicContact CD2-CB 4.12Å; K489-Y491 WeakPolarHBondContact CE-O 3.28Å; K489-Y491 WeakPolarHBondContact CG-O 3.42Å; K489-D492 VanDerWaalsContact CE-C 3.44Å; K489-D492 WeakPolarHBondContact CE-O 3.38Å; K489-D492 PolarHBondContact NZ-O 3.45Å |
| 490 | V | 98 | Very high | 97.4 | Very high | 14 Ų | 14 | 49.7 Ų | 49.7 | 9% | 0.085 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | -16.4 | -176.5 | -64.4 | 0 | 0 | 0 | 0 | 112.8 | I474 T488 V494 I672 | I474-V490 HydrophobicContact CD1-CG2 4.24Å; T488-V490 PolarHBondContact O-N 3.1Å; T488-V490 VanDerWaalsContact O-N 3.15Å; V490-V494 HydrophobicContact CG2-CB 4.04Å; V490-V494 HydrophobicContact CG2-CG1 3.7Å; V490-V494 PolarHBondContact N-O 3.44Å; V490-I672 HydrophobicContact CB-CD1 4.17Å; V490-I672 HydrophobicContact CB-CG1 4.06Å; V490-I672 HydrophobicContact CG2-CD1 3.93Å; V490-I672 HydrophobicContact CG2-CG1 4.36Å |
| 491 | Y | 96.1 | Very high | 97.6 | Very high | 98 Ų | 98 | 49.6 Ų | 49.6 | 38% | 0.384 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 175.9 | 171.3 | -155.3 | -106.5 | 0 | 0 | 0 | 109.8 | Y271 K489 Y493 V494 | Y271-Y491 AromaticContact CD1-CD1 3.78Å; Y271-Y491 HydrophobicContact CD1-CD1 3.78Å; Y271-Y491 HydrophobicContact CD1-CD2 4.15Å; Y271-Y491 AromaticContact CD1-CE1 3.37Å; Y271-Y491 HydrophobicContact CD1-CE1 3.37Å; Y271-Y491 AromaticContact CD1-CE2 3.78Å; Y271-Y491 HydrophobicContact CD1-CE2 3.78Å; Y271-Y491 HydrophobicContact CD1-CG 4.15Å; Y271-Y491 AromaticContact CD1-CZ 3.36Å; Y271-Y491 HydrophobicContact CD2-CD1 4.36Å; Y271-Y491 AromaticContact CD2-CD2 3.96Å; Y271-Y491 HydrophobicContact CD2-CD2 3.96Å; Y271-Y491 HydrophobicContact CD2-CE2 4.27Å; Y271-Y491 HydrophobicContact CD2-CG 4Å; Y271-Y491 AromaticContact CE1-CD1 3.55Å; Y271-Y491 HydrophobicContact CE1-CD1 3.55Å; Y271-Y491 AromaticContact CE1-CE1 3.44Å; Y271-Y491 HydrophobicContact CE1-CE1 3.44Å; Y271-Y491 VanDerWaalsContact CE1-CE1 3.44Å; Y271-Y491 HydrophobicContact CE1-CG 4.17Å; Y271-Y491 AromaticContact CE1-CZ 3.97Å; Y271-Y491 HydrophobicContact CE2-CD1 4.14Å; Y271-Y491 HydrophobicContact CE2-CD2 4.41Å; Y271-Y491 AromaticContact CE2-CG 3.98Å; Y271-Y491 HydrophobicContact CE2-CG 3.98Å; Y271-Y491 HydrophobicContact CG-CD1 4.19Å; Y271-Y491 AromaticContact CG-CD2 3.81Å; Y271-Y491 HydrophobicContact CG-CD2 3.81Å; Y271-Y491 HydrophobicContact CG-CE1 4.05Å; Y271-Y491 AromaticContact CG-CE2 3.64Å; Y271-Y491 HydrophobicContact CG-CE2 3.64Å; Y271-Y491 HydrophobicContact CG-CG 4.08Å; Y271-Y491 AromaticContact CG-CZ 3.75Å; Y271-Y491 AromaticContact CZ-CD1 3.75Å; K489-Y491 WeakPolarHBondContact CE-O 3.28Å; K489-Y491 WeakPolarHBondContact CG-O 3.42Å; Y491-Y493 VanDerWaalsContact C-N 3.25Å; Y491-Y493 PolarHBondContact O-N 3.32Å; Y491-V494 HydrophobicContact CD1-CG2 4.49Å; Y491-V494 PolarHBondContact N-O 3.3Å; Y491-V494 PolarHBondContact O-N 3.29Å |
| 492 | D | 92.6 | Very high | 97.7 | Very high | 87 Ų | 87 | 45 Ų | 45 | 47% | 0.465 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -39.3 | -169.1 | -75.4 | -15.1 | 0 | 0 | 0 | 115 | K489 | K489-D492 VanDerWaalsContact CE-C 3.44Å; K489-D492 WeakPolarHBondContact CE-O 3.38Å; K489-D492 PolarHBondContact NZ-O 3.45Å |
| 493 | Y | 94.6 | Very high | 97.8 | Very high | 81 Ų | 81 | 40.6 Ų | 40.6 | 32% | 0.318 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -126.1 | 19 | -179.2 | -67 | -85.4 | 0 | 0 | 0 | 113 | L262 P263 F478 F479 Y491 | L262-Y493 HydrophobicContact CD2-CD1 3.8Å; L262-Y493 HydrophobicContact CD2-CD2 4.25Å; L262-Y493 HydrophobicContact CD2-CE1 4.18Å; L262-Y493 HydrophobicContact CD2-CG 3.81Å; P263-Y493 VanDerWaalsContact CD-CD2 3.49Å; P263-Y493 HydrophobicContact CG-CD2 3.92Å; P263-Y493 HydrophobicContact CG-CE2 3.6Å; F478-Y493 AromaticContact CE2-CD1 3.66Å; F478-Y493 HydrophobicContact CE2-CD1 3.66Å; F478-Y493 HydrophobicContact CE2-CG 4.13Å; F478-Y493 AromaticContact CZ-CD1 3.66Å; F478-Y493 HydrophobicContact CZ-CD1 3.66Å; F478-Y493 HydrophobicContact CZ-CE1 4.38Å; F479-Y493 VanDerWaalsContact CB-C 3.42Å; F479-Y493 PolarHBondContact N-O 3.11Å; Y491-Y493 VanDerWaalsContact C-N 3.25Å; Y491-Y493 PolarHBondContact O-N 3.32Å |
| 494 | V | 97.6 | Very high | 97.8 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.018 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 120.1 | -171.3 | -170.4 | 0 | 0 | 0 | 0 | 109.8 | I211 Y271 A476 V490 Y491 | I211-V494 HydrophobicContact CB-CG1 4.2Å; I211-V494 WeakPolarHBondContact O-CG2 3.48Å; Y271-V494 HydrophobicContact CE2-CG2 4.42Å; Y271-V494 WeakPolarHBondContact OH-CG2 3.47Å; A476-V494 HydrophobicContact CB-CG1 3.66Å; V490-V494 HydrophobicContact CG2-CB 4.04Å; V490-V494 HydrophobicContact CG2-CG1 3.7Å; V490-V494 PolarHBondContact N-O 3.44Å; Y491-V494 HydrophobicContact CD1-CG2 4.49Å; Y491-V494 PolarHBondContact N-O 3.3Å; Y491-V494 PolarHBondContact O-N 3.29Å |
| 495 | L | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 121.2 | 169.9 | -172.5 | 80.3 | 0 | 0 | 0 | 108.7 | A476 T477 F479 G483 N497 | A476-L495 VanDerWaalsContact CA-O 3.29Å; A476-L495 WeakPolarHBondContact CA-O 3.45Å; A476-L495 VanDerWaalsContact CB-O 3.31Å; A476-L495 WeakPolarHBondContact CB-O 3.4Å; T477-L495 PolarHBondContact N-O 3.02Å; T477-L495 VanDerWaalsContact N-O 3.15Å; T477-L495 PolarHBondContact O-N 3.32Å; F479-L495 HydrophobicContact CB-CB 4.48Å; F479-L495 HydrophobicContact CD2-CD1 4.16Å; G483-L495 WeakPolarHBondContact O-CD2 3.26Å; L495-N497 PolarHBondContact O-N 3.07Å; L495-N497 PolarHBondContact O-OD1 2.75Å; L495-N497 VanDerWaalsContact O-OD1 3.11Å |
| 496 | G | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 109.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | G487 T488 | G487-G496 WeakPolarHBondContact CA-O 3.42Å; T488-G496 PolarHBondContact N-O 3.32Å; T488-G496 VanDerWaalsContact N-O 3.07Å; T488-G496 PolarHBondContact O-N 2.71Å |
| 497 | N | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 135.5 | -173.5 | -65.5 | 81.6 | 0 | 0 | 0 | 112 | Y348 A349 A355 T477 L495 H499 P667 | Y348-N497 HydrophobicContact CD1-CB 3.81Å; A349-N497 PolarHBondContact O-ND2 2.88Å; A355-N497 WeakPolarHBondContact CB-ND2 3.18Å; T477-N497 PolarHBondContact N-OD1 2.71Å; T477-N497 PolarHBondContact OG1-ND2 3.33Å; T477-N497 VanDerWaalsContact OG1-ND2 3.07Å; T477-N497 PolarHBondContact OG1-OD1 2.59Å; T477-N497 VanDerWaalsContact OG1-OD1 3.08Å; L495-N497 PolarHBondContact O-N 3.07Å; L495-N497 PolarHBondContact O-OD1 2.75Å; L495-N497 VanDerWaalsContact O-OD1 3.11Å; N497-H499 PolarHBondContact O-N 2.87Å; N497-H499 PolarHBondContact O-ND1 2.92Å; N497-P667 VanDerWaalsContact O-CD 3.24Å; N497-P667 WeakPolarHBondContact O-CD 3.21Å; N497-P667 VanDerWaalsContact O-CG 3.28Å; N497-P667 WeakPolarHBondContact O-CG 3.4Å |
| 498 | L | 98.1 | Very high | 98 | Very high | 48 Ų | 48 | 24.2 Ų | 24.2 | 25% | 0.251 | 12% | 0.115 | S | C | . | . | trans | -57 | 132.4 | 170.6 | 176.1 | 66.1 | 0 | 0 | 0 | 110.2 | Y348 A349 Y486 L664 V666 | Y348-L498 CarbonylContact C-O 3.45Å; Y348-L498 WeakPolarHBondContact CA-O 3.24Å; A349-L498 PolarHBondContact N-O 2.74Å; Y486-L498 WeakPolarHBondContact O-CB 3.36Å; Y486-L498 PolarHBondContact O-N 3.22Å; L498-L664 HydrophobicContact CD1-CD1 3.71Å; L498-L664 HydrophobicContact CD1-CG 4.19Å; L498-L664 HydrophobicContact CG-CD1 4.44Å; L498-V666 HydrophobicContact CD1-CB 4.27Å; L498-V666 HydrophobicContact CD1-CG2 3.51Å | ||
| 499 | H | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 164.9 | 174.1 | 57.5 | -75.3 | 0 | 0 | 0 | 113.3 | F347 Y348 Y450 N497 H501 H665 | F347-H499 CarbonylContact O-C 3.57Å; F347-H499 WeakPolarHBondContact O-CA 3.36Å; F347-H499 VanDerWaalsContact O-CB 3.24Å; F347-H499 WeakPolarHBondContact O-CB 3.17Å; Y348-H499 HydrophobicContact CD1-CB 3.44Å; Y348-H499 VanDerWaalsContact CD1-CB 3.44Å; Y348-H499 AromaticContact CD1-CG 3.75Å; Y348-H499 AromaticContact CD1-ND1 3.84Å; Y348-H499 HydrophobicContact CD2-CB 4.17Å; Y348-H499 HydrophobicContact CE1-CB 3.54Å; Y348-H499 AromaticContact CE1-CD2 3.93Å; Y348-H499 AromaticContact CE1-CE1 3.94Å; Y348-H499 AromaticContact CE1-CG 3.31Å; Y348-H499 AromaticContact CE1-ND1 3.32Å; Y348-H499 VanDerWaalsContact CE1-ND1 3.32Å; Y348-H499 WeakPolarHBondContact CE1-ND1 3.43Å; Y348-H499 HydrophobicContact CE2-CB 4.28Å; Y348-H499 HydrophobicContact CG-CB 3.74Å; Y348-H499 AromaticContact CZ-CD2 3.91Å; Y348-H499 AromaticContact CZ-CG 3.71Å; Y450-H499 AromaticContact CZ-NE2 3.67Å; Y450-H499 PolarHBondContact OH-CE1 2.84Å; Y450-H499 PolarHBondContact OH-NE2 2.8Å; N497-H499 PolarHBondContact O-N 2.87Å; N497-H499 PolarHBondContact O-ND1 2.92Å; H499-H501 AromaticContact CD2-CD2 3.81Å; H499-H501 AromaticContact CD2-NE2 3.46Å; H499-H501 PolarHBondContact CD2-NE2 2.86Å; H499-H501 AromaticContact NE2-CD2 3.83Å; H499-H501 AromaticContact NE2-CE1 3.91Å; H499-H501 AromaticContact NE2-NE2 3.15Å; H499-H501 PolarHBondContact NE2-NE2 2.86Å; H499-H501 VanDerWaalsContact NE2-NE2 3.15Å; H499-H665 AromaticContact CE1-CG 3.68Å; H499-H665 AromaticContact CE1-ND1 3.25Å; H499-H665 PolarHBondContact CE1-ND1 3.35Å; H499-H665 VanDerWaalsContact CE1-ND1 3.25Å; H499-H665 PolarHBondContact N-O 3.47Å; H499-H665 AromaticContact NE2-CG 3.76Å; H499-H665 AromaticContact NE2-ND1 3.22Å; H499-H665 PolarHBondContact NE2-ND1 2.93Å; H499-H665 PolarHBondContact O-N 3.11Å; H499-H665 VanDerWaalsContact O-O 3.09Å |
| 500 | T | 98.4 | Very high | 98 | Very high | 20 Ų | 20 | 17.7 Ų | 17.7 | 12% | 0.123 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 129 | 174.2 | -56 | 0 | 0 | 0 | 0 | 109.8 | A346 F347 L502 L664 | A346-T500 WeakPolarHBondContact CA-O 3.36Å; F347-T500 PolarHBondContact N-O 3.04Å; F347-T500 VanDerWaalsContact N-O 3.12Å; F347-T500 PolarHBondContact O-N 2.92Å; T500-L502 HydrophobicContact CG2-CD2 4.09Å; T500-L502 HydrophobicContact CG2-CG 4.04Å; T500-L664 WeakPolarHBondContact OG1-CD1 3.31Å |
| 501 | H | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 126 | 165.8 | -67.1 | -84.2 | 0 | 0 | 0 | 109.3 | I345 Y450 Y452 H499 I503 G662 F663 | I345-H501 WeakPolarHBondContact O-CA 3.37Å; Y450-H501 AromaticContact CD1-CE1 3.91Å; Y450-H501 AromaticContact CE1-CE1 3.63Å; Y450-H501 AromaticContact CE1-NE2 3.68Å; Y450-H501 AromaticContact CZ-CE1 3.83Å; Y450-H501 AromaticContact CZ-NE2 3.85Å; Y452-H501 AromaticContact CE1-ND1 3.75Å; Y452-H501 AromaticContact CZ-ND1 3.93Å; Y452-H501 PolarHBondContact OH-ND1 3.03Å; H499-H501 AromaticContact CD2-CD2 3.81Å; H499-H501 AromaticContact CD2-NE2 3.46Å; H499-H501 PolarHBondContact CD2-NE2 2.86Å; H499-H501 AromaticContact NE2-CD2 3.83Å; H499-H501 AromaticContact NE2-CE1 3.91Å; H499-H501 AromaticContact NE2-NE2 3.15Å; H499-H501 PolarHBondContact NE2-NE2 2.86Å; H499-H501 VanDerWaalsContact NE2-NE2 3.15Å; H501-I503 HydrophobicContact CB-CD1 4.3Å; H501-G662 CarbonylContact O-C 3.35Å; H501-G662 WeakPolarHBondContact O-CA 3.46Å; H501-F663 HydrophobicContact CB-CD1 4.41Å; H501-F663 HydrophobicContact CB-CE1 4.13Å; H501-F663 HydrophobicContact CB-CZ 4.28Å; H501-F663 AromaticContact CD2-CE2 3.58Å; H501-F663 AromaticContact CD2-CZ 3.52Å; H501-F663 PolarHBondContact N-O 2.92Å; H501-F663 PolarHBondContact O-N 2.89Å |
| 502 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 137.8 | 164.4 | -58 | 176.7 | 0 | 0 | 0 | 110.1 | A344 I345 T500 A591 V594 W607 T660 V661 | A344-L502 CarbonylContact C-O 3.49Å; A344-L502 WeakPolarHBondContact CA-O 3.42Å; I345-L502 HydrophobicContact CD1-CB 3.85Å; I345-L502 HydrophobicContact CD1-CD1 4Å; I345-L502 HydrophobicContact CD1-CG 4.19Å; I345-L502 HydrophobicContact CG1-CB 3.72Å; I345-L502 HydrophobicContact CG1-CG 4.4Å; I345-L502 PolarHBondContact N-O 3.41Å; I345-L502 PolarHBondContact O-N 2.83Å; I345-L502 VanDerWaalsContact O-N 3.14Å; T500-L502 HydrophobicContact CG2-CD2 4.09Å; T500-L502 HydrophobicContact CG2-CG 4.04Å; L502-A591 HydrophobicContact CD2-CB 3.51Å; L502-V594 HydrophobicContact CD1-CB 4.24Å; L502-V594 HydrophobicContact CD1-CG1 3.97Å; L502-W607 HydrophobicContact CB-CH2 4.14Å; L502-W607 HydrophobicContact CB-CZ3 3.92Å; L502-T660 HydrophobicContact CB-CG2 4.17Å; L502-T660 HydrophobicContact CD2-CG2 4.24Å; L502-V661 CarbonylContact C-O 3.58Å; L502-V661 WeakPolarHBondContact CA-O 3.36Å |
| 503 | I | 98.8 | Very high | 98 | Very high | 3 Ų | 3 | 11.4 Ų | 11.4 | 2% | 0.015 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 132.9 | -177.7 | -59.2 | 87.5 | 0 | 0 | 0 | 107.9 | L341 E343 A344 W454 V468 H501 Y505 T660 V661 V682 | L341-I503 HydrophobicContact CD1-CG2 3.52Å; E343-I503 WeakPolarHBondContact O-CA 3.24Å; A344-I503 HydrophobicContact CB-CG1 4.32Å; W454-I503 HydrophobicContact CH2-CG1 4.26Å; W454-I503 HydrophobicContact CH2-CG2 4.19Å; W454-I503 HydrophobicContact CZ3-CG1 4.26Å; W454-I503 HydrophobicContact CZ3-CG2 3.77Å; V468-I503 HydrophobicContact CG1-CD1 3.98Å; V468-I503 HydrophobicContact CG1-CG1 4.1Å; H501-I503 HydrophobicContact CB-CD1 4.3Å; I503-Y505 HydrophobicContact CB-CE2 4.17Å; I503-Y505 HydrophobicContact CG2-CD2 3.99Å; I503-Y505 HydrophobicContact CG2-CE2 3.29Å; I503-T660 WeakPolarHBondContact O-CA 3.33Å; I503-V661 HydrophobicContact CB-CG2 4.1Å; I503-V661 PolarHBondContact N-O 3.49Å; I503-V661 PolarHBondContact O-N 2.77Å; I503-V682 HydrophobicContact CD1-CG2 4.4Å |
| 504 | H | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 12.2 Ų | 12.2 | 1% | 0.005 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 134.8 | -178.4 | -159.9 | -127.7 | 0 | 0 | 0 | 112 | Q342 E343 W607 S624 W658 V659 T660 | Q342-H504 HydrophobicContact CB-CB 4.27Å; Q342-H504 WeakPolarHBondContact CB-O 3.42Å; Q342-H504 PolarHBondContact N-O 2.89Å; E343-H504 HydrophobicContact CB-CB 4.38Å; E343-H504 PolarHBondContact N-O 3.01Å; E343-H504 PolarHBondContact O-N 3.36Å; H504-W607 HydrophobicContact CB-CD2 3.85Å; H504-W607 HydrophobicContact CB-CE3 3.55Å; H504-W607 HydrophobicContact CB-CG 4.47Å; H504-W607 HydrophobicContact CB-CH2 4.32Å; H504-W607 HydrophobicContact CB-CZ3 3.81Å; H504-W607 AromaticContact CD2-CE3 3.82Å; H504-W607 AromaticContact CG-CD2 3.84Å; H504-W607 AromaticContact CG-CE3 3.69Å; H504-W607 AromaticContact ND1-CG 3.89Å; H504-S624 PolarHBondContact CE1-OG 2.96Å; H504-S624 WeakPolarHBondContact ND1-CB 3.12Å; H504-S624 PolarHBondContact ND1-OG 2.88Å; H504-W658 AromaticContact CE1-CE3 3.62Å; H504-V659 WeakPolarHBondContact CA-O 3.25Å; H504-V659 PolarHBondContact CD2-O 3.05Å; H504-T660 PolarHBondContact CD2-OG1 3.1Å |
| 505 | Y | 98.9 | Very high | 98.1 | Very high | 5 Ų | 5 | 16.1 Ų | 16.1 | 2% | 0.02 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 141.6 | 178.6 | -68.2 | -89.4 | 0 | 0 | 0 | 111.3 | S340 L341 V466 I503 W658 V659 V661 F684 | S340-Y505 WeakPolarHBondContact O-CA 3.45Å; L341-Y505 HydrophobicContact CB-CD1 4.46Å; L341-Y505 HydrophobicContact CB-CE1 4.17Å; L341-Y505 HydrophobicContact CD1-CE1 4.08Å; V466-Y505 HydrophobicContact CG1-CD1 3.94Å; V466-Y505 HydrophobicContact CG1-CE1 3.51Å; V466-Y505 HydrophobicContact CG1-CE2 4.39Å; I503-Y505 HydrophobicContact CB-CE2 4.17Å; I503-Y505 HydrophobicContact CG2-CD2 3.99Å; I503-Y505 HydrophobicContact CG2-CE2 3.29Å; Y505-W658 WeakPolarHBondContact O-CA 3.4Å; Y505-V659 PolarHBondContact N-O 2.9Å; Y505-V659 PolarHBondContact O-N 3.13Å; Y505-V661 HydrophobicContact CD2-CG2 4.39Å; Y505-V661 HydrophobicContact CE2-CG2 3.97Å; Y505-F684 HydrophobicContact CD1-CE1 4.38Å; Y505-F684 AromaticContact CD2-CE1 3.78Å; Y505-F684 HydrophobicContact CD2-CE1 3.78Å; Y505-F684 HydrophobicContact CE2-CE1 4.41Å; Y505-F684 AromaticContact CG-CE1 3.75Å; Y505-F684 HydrophobicContact CG-CE1 3.75Å; Y505-F684 HydrophobicContact CG-CZ 4.34Å |
| 506 | K | 98.9 | Very high | 98.1 | Very high | 9 Ų | 9 | 16.1 Ų | 16.1 | 4% | 0.039 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 132 | 164.3 | -178.2 | -173.7 | 176.6 | -169.7 | 0 | 108.3 | E338 I339 S340 Q342 V656 W658 | E338-K506 IonicContact OE1-NZ 3.26Å; E338-K506 WeakPolarHBondContact OE2-CE 3.36Å; E338-K506 IonicContact OE2-NZ 3.83Å; E338-K506 PolarHBondContact OE2-NZ 2.9Å; I339-K506 CarbonylContact C-O 3.12Å; I339-K506 VanDerWaalsContact CA-O 3.31Å; I339-K506 WeakPolarHBondContact CA-O 3.4Å; S340-K506 PolarHBondContact N-O 3.15Å; S340-K506 PolarHBondContact O-N 3.37Å; Q342-K506 HydrophobicContact CG-CB 3.78Å; K506-V656 HydrophobicContact CD-CG1 4.4Å; K506-V656 HydrophobicContact CG-CG1 3.57Å; K506-W658 HydrophobicContact CB-CE3 3.92Å; K506-W658 HydrophobicContact CB-CH2 4.34Å; K506-W658 HydrophobicContact CB-CZ3 3.69Å; K506-W658 HydrophobicContact CD-CH2 3.98Å; K506-W658 HydrophobicContact CD-CZ3 4.15Å; K506-W658 HydrophobicContact CG-CE3 4.17Å; K506-W658 HydrophobicContact CG-CH2 3.96Å; K506-W658 HydrophobicContact CG-CZ2 4.43Å; K506-W658 HydrophobicContact CG-CZ3 3.82Å |
| 507 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 86.8 | -179.2 | -166.8 | 0 | 0 | 0 | 0 | 108.1 | I339 L509 A657 V659 F684 L686 | I339-V507 HydrophobicContact CG1-CG1 4.26Å; I339-V507 HydrophobicContact CG2-CG2 4.28Å; V507-L509 HydrophobicContact CG1-CD2 3.89Å; V507-L509 HydrophobicContact CG1-CG 4.02Å; V507-L509 PolarHBondContact O-N 3.39Å; V507-A657 WeakPolarHBondContact CA-O 3.45Å; V507-A657 HydrophobicContact CB-CB 4.15Å; V507-A657 PolarHBondContact N-O 2.83Å; V507-A657 PolarHBondContact O-N 2.96Å; V507-V659 HydrophobicContact CG2-CB 4.42Å; V507-V659 HydrophobicContact CG2-CG2 3.77Å; V507-F684 HydrophobicContact CG2-CE1 4.46Å; V507-F684 HydrophobicContact CG2-CE2 3.83Å; V507-F684 HydrophobicContact CG2-CZ 3.54Å; V507-L686 HydrophobicContact CG1-CD1 3.98Å; V507-L686 HydrophobicContact CG1-CD2 4.06Å |
| 508 | D | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 96 | -179.6 | -173.5 | -0.1 | 0 | 0 | 0 | 109.7 | K77 A336 Y337 E338 H617 V656 | K77-D508 WeakPolarHBondContact CD-OD2 3.3Å; K77-D508 WeakPolarHBondContact CE-OD2 3.41Å; K77-D508 IonicContact NZ-OD1 3.14Å; K77-D508 PolarHBondContact NZ-OD1 3.39Å; K77-D508 IonicContact NZ-OD2 2.75Å; K77-D508 PolarHBondContact NZ-OD2 2.97Å; A336-D508 CarbonylContact C-O 3.46Å; A336-D508 VanDerWaalsContact CA-O 3.24Å; A336-D508 WeakPolarHBondContact CA-O 3.32Å; A336-D508 WeakPolarHBondContact CB-O 3.37Å; Y337-D508 WeakPolarHBondContact CD1-OD2 3.33Å; Y337-D508 PolarHBondContact N-O 2.88Å; E338-D508 HydrophobicContact CB-CB 4.02Å; E338-D508 PolarHBondContact O-N 2.79Å; D508-H617 IonicContact OD2-CD2 3.83Å; D508-V656 HydrophobicContact CB-CG1 4.5Å; D508-V656 HydrophobicContact CB-CG2 4.21Å |
| 509 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 122.1 | -174.4 | -65.8 | 175.3 | 0 | 0 | 0 | 110.2 | A336 V507 I511 N516 F568 I585 L655 L686 | A336-L509 HydrophobicContact CB-CD2 4.07Å; V507-L509 HydrophobicContact CG1-CD2 3.89Å; V507-L509 HydrophobicContact CG1-CG 4.02Å; V507-L509 PolarHBondContact O-N 3.39Å; L509-I511 HydrophobicContact CB-CD1 4.13Å; L509-I511 HydrophobicContact CB-CG1 4.31Å; L509-I511 HydrophobicContact CD2-CD1 4.34Å; L509-N516 PolarHBondContact O-OD1 2.91Å; L509-N516 VanDerWaalsContact O-OD1 3.12Å; L509-F568 HydrophobicContact CD1-CB 3.86Å; L509-F568 HydrophobicContact CD1-CD1 4.04Å; L509-F568 HydrophobicContact CD1-CD2 3.57Å; L509-F568 HydrophobicContact CD1-CE1 4.49Å; L509-F568 HydrophobicContact CD1-CE2 4.09Å; L509-F568 HydrophobicContact CD1-CG 3.55Å; L509-I585 HydrophobicContact CD1-CD1 4.41Å; L509-L655 PolarHBondContact N-O 3.3Å; L509-L686 HydrophobicContact CD2-CD1 3.92Å; L509-L686 HydrophobicContact CD2-CD2 4.46Å |
| 510 | D | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.08 | C | C | . | . | trans | -116.9 | 66.9 | 175.4 | -86 | 1.1 | 0 | 0 | 0 | 108.4 | K77 R334 I335 V512 G513 | K77-D510 WeakPolarHBondContact CE-OD2 3.46Å; K77-D510 IonicContact NZ-OD1 3.33Å; K77-D510 PolarHBondContact NZ-OD1 3.37Å; K77-D510 IonicContact NZ-OD2 3.45Å; K77-D510 PolarHBondContact NZ-OD2 3.03Å; R334-D510 HydrophobicContact CG-CB 4.17Å; R334-D510 VanDerWaalsContact O-O 3.07Å; I335-D510 CarbonylContact O-C 3.41Å; I335-D510 PolarHBondContact O-N 2.76Å; D510-V512 PolarHBondContact O-N 2.89Å; D510-G513 CarbonylContact C-O 3.56Å; D510-G513 VanDerWaalsContact CA-O 3.28Å; D510-G513 WeakPolarHBondContact CA-O 3.29Å; D510-G513 PolarHBondContact O-N 3.43Å | ||
| 511 | I | 98.2 | Very high | 98.2 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | 99.7 | -175.1 | -52.1 | -55 | 0 | 0 | 0 | 109.8 | I335 L509 G513 N516 F568 N570 Y583 F691 | I335-I511 HydrophobicContact CG2-CD1 4.23Å; I335-I511 WeakPolarHBondContact O-CD1 3.45Å; L509-I511 HydrophobicContact CB-CD1 4.13Å; L509-I511 HydrophobicContact CB-CG1 4.31Å; L509-I511 HydrophobicContact CD2-CD1 4.34Å; I511-G513 PolarHBondContact N-O 2.87Å; I511-G513 PolarHBondContact O-N 3.35Å; I511-N516 WeakPolarHBondContact CB-OD1 3.05Å; I511-N516 WeakPolarHBondContact CG1-OD1 3.02Å; I511-N516 PolarHBondContact N-OD1 2.85Å; I511-N516 PolarHBondContact O-ND2 2.8Å; I511-F568 HydrophobicContact CG1-CB 4.39Å; I511-N570 HydrophobicContact CG2-CB 4.47Å; I511-N570 WeakPolarHBondContact O-CB 3.19Å; I511-N570 PolarHBondContact O-ND2 2.86Å; I511-Y583 HydrophobicContact CD1-CD2 3.9Å; I511-Y583 HydrophobicContact CD1-CG 4.08Å; I511-F691 HydrophobicContact CG2-CD2 3.86Å; I511-F691 HydrophobicContact CG2-CE2 3.79Å |
| 512 | V | 94.4 | Very high | 98 | Very high | 40 Ų | 40 | 15.7 Ų | 15.7 | 24% | 0.242 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 43.9 | -174.2 | -161.1 | 0 | 0 | 0 | 0 | 111.2 | R334 D510 N570 E573 K581 F691 | R334-V512 PolarHBondContact O-N 2.88Å; D510-V512 PolarHBondContact O-N 2.89Å; V512-N570 PolarHBondContact O-ND2 2.94Å; V512-N570 VanDerWaalsContact O-ND2 3.16Å; V512-E573 HydrophobicContact CB-CG 4.17Å; V512-E573 HydrophobicContact CG1-CG 3.93Å; V512-K581 HydrophobicContact CG2-CD 3.8Å; V512-F691 HydrophobicContact CG2-CD2 4.36Å; V512-F691 HydrophobicContact CG2-CE2 3.44Å; V512-F691 VanDerWaalsContact CG2-CE2 3.44Å; V512-F691 HydrophobicContact CG2-CZ 3.71Å |
| 513 | G | 94.7 | Very high | 97.8 | Very high | 26 Ų | 26 | 19.5 Ų | 19.5 | 27% | 0.268 | 10% | 0.103 | S | C | . | . | S | Bend | trans | 109.8 | 177.5 | -177 | 0 | 0 | 0 | 0 | 0 | 113.1 | D510 I511 N516 | D510-G513 CarbonylContact C-O 3.56Å; D510-G513 VanDerWaalsContact CA-O 3.28Å; D510-G513 WeakPolarHBondContact CA-O 3.29Å; D510-G513 PolarHBondContact O-N 3.43Å; I511-G513 PolarHBondContact N-O 2.87Å; I511-G513 PolarHBondContact O-N 3.35Å; G513-N516 PolarHBondContact O-ND2 2.87Å |
| 514 | R | 97.1 | Very high | 97.6 | Very high | 98 Ų | 98 | 25.7 Ų | 25.7 | 37% | 0.37 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -80 | -24.1 | -167.4 | -67.3 | -176.9 | -67.5 | 173.4 | 8 | 114.5 | L81 N516 Q653 D654 | L81-R514 HydrophobicContact CD1-CG 4.02Å; R514-N516 PolarHBondContact O-N 2.82Å; R514-Q653 CarbonylContact O-C 3.44Å; R514-D654 HydrophobicContact CB-CB 4.18Å; R514-D654 WeakPolarHBondContact CD-OD2 3.48Å; R514-D654 WeakPolarHBondContact O-CA 3.44Å; R514-D654 PolarHBondContact O-N 3.45Å |
| 515 | D | 98 | Very high | 97.5 | Very high | 86 Ų | 86 | 33.3 Ų | 33.3 | 46% | 0.46 | 16% | 0.16 | S | C | . | . | trans | -83.9 | 92.5 | -171.7 | -57.8 | -43.3 | 0 | 0 | 0 | 109.6 | P571 N652 | D515-P571 WeakPolarHBondContact O-CD 3.43Å; D515-N652 WeakPolarHBondContact CB-OD1 3.34Å | ||
| 516 | N | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | B | Isolated β-bridge | trans | -121.2 | 158.3 | -174.6 | -67.2 | 176.9 | 0 | 0 | 0 | 111.6 | L509 I511 G513 R514 Y569 N652 Q653 L655 | L509-N516 PolarHBondContact O-OD1 2.91Å; L509-N516 VanDerWaalsContact O-OD1 3.12Å; I511-N516 WeakPolarHBondContact CB-OD1 3.05Å; I511-N516 WeakPolarHBondContact CG1-OD1 3.02Å; I511-N516 PolarHBondContact N-OD1 2.85Å; I511-N516 PolarHBondContact O-ND2 2.8Å; G513-N516 PolarHBondContact O-ND2 2.87Å; R514-N516 PolarHBondContact O-N 2.82Å; N516-Y569 CarbonylContact C-O 3.08Å; N516-Y569 WeakPolarHBondContact CA-O 3.35Å; N516-N652 CarbonylContact O-C 3.53Å; N516-N652 WeakPolarHBondContact O-CA 3.15Å; N516-N652 PolarHBondContact O-N 3.46Å; N516-Q653 PolarHBondContact N-O 3.28Å; N516-Q653 PolarHBondContact O-N 2.77Å; N516-Q653 VanDerWaalsContact O-O 3.11Å; N516-L655 HydrophobicContact CB-CD1 4.38Å; N516-L655 HydrophobicContact CB-CG 4.4Å |
| 517 | S | 98.8 | Very high | 97.3 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.014 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 160.9 | 174.2 | -73.4 | 0 | 0 | 0 | 0 | 109.9 | F568 Y569 N652 | S517-F568 WeakPolarHBondContact O-CA 3.49Å; S517-Y569 VanDerWaalsContact CB-CZ 3.49Å; S517-Y569 PolarHBondContact N-O 2.78Å; S517-Y569 WeakPolarHBondContact O-CD1 3.49Å; S517-Y569 PolarHBondContact O-N 2.67Å; S517-N652 PolarHBondContact OG-N 2.9Å |
| 518 | F | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 132.6 | -178.2 | 178.3 | -113 | 0 | 0 | 0 | 111.8 | T520 H548 A554 F556 V566 H567 F568 L612 V614 I650 L655 | F518-T520 HydrophobicContact CE1-CG2 4.15Å; F518-T520 HydrophobicContact CZ-CG2 3.86Å; F518-H548 HydrophobicContact CD1-CB 3.72Å; F518-H548 AromaticContact CD1-CD2 3.91Å; F518-H548 AromaticContact CD1-CG 3.96Å; F518-H548 HydrophobicContact CE1-CB 4.24Å; F518-H548 AromaticContact CE1-CD2 3.68Å; F518-H548 AromaticContact CE1-CG 3.98Å; F518-H548 PolarHBondContact O-N 2.7Å; F518-A554 HydrophobicContact CD1-CB 3.61Å; F518-A554 HydrophobicContact CE1-CB 3.79Å; F518-F556 AromaticContact CE1-CE2 3.72Å; F518-F556 HydrophobicContact CE1-CE2 3.72Å; F518-F556 AromaticContact CE1-CZ 3.93Å; F518-F556 HydrophobicContact CE1-CZ 3.93Å; F518-F556 AromaticContact CZ-CE2 3.83Å; F518-F556 HydrophobicContact CZ-CE2 3.83Å; F518-F556 HydrophobicContact CZ-CZ 4.2Å; F518-V566 HydrophobicContact CE2-CB 4.31Å; F518-V566 HydrophobicContact CE2-CG1 3.46Å; F518-V566 VanDerWaalsContact CE2-CG1 3.46Å; F518-V566 HydrophobicContact CZ-CB 4.5Å; F518-V566 HydrophobicContact CZ-CG1 3.8Å; F518-H567 VanDerWaalsContact CD2-O 3.29Å; F518-H567 WeakPolarHBondContact CD2-O 3.33Å; F518-F568 HydrophobicContact CB-CE1 4.46Å; F518-F568 HydrophobicContact CD2-CD1 4.21Å; F518-F568 AromaticContact CD2-CD2 3.93Å; F518-F568 HydrophobicContact CD2-CD2 3.93Å; F518-F568 HydrophobicContact CD2-CE1 4.01Å; F518-F568 AromaticContact CD2-CE2 3.7Å; F518-F568 HydrophobicContact CD2-CE2 3.7Å; F518-F568 HydrophobicContact CD2-CG 4.17Å; F518-F568 AromaticContact CD2-CZ 3.74Å; F518-F568 HydrophobicContact CD2-CZ 3.74Å; F518-F568 HydrophobicContact CE2-CD2 4.25Å; F518-F568 AromaticContact CE2-CE2 3.81Å; F518-F568 HydrophobicContact CE2-CE2 3.81Å; F518-F568 HydrophobicContact CE2-CZ 4.13Å; F518-F568 HydrophobicContact CG-CE1 4.47Å; F518-F568 HydrophobicContact CG-CZ 4.46Å; F518-L612 HydrophobicContact CZ-CD2 4.15Å; F518-V614 HydrophobicContact CD1-CG2 4.02Å; F518-V614 HydrophobicContact CD2-CG2 4.3Å; F518-V614 HydrophobicContact CE1-CG2 4.18Å; F518-V614 HydrophobicContact CE2-CG2 4.43Å; F518-V614 HydrophobicContact CG-CG2 4.12Å; F518-V614 HydrophobicContact CZ-CG2 4.39Å; F518-I650 HydrophobicContact CB-CD1 4.37Å; F518-L655 HydrophobicContact CB-CD1 4.16Å |
| 519 | E | 98.7 | Very high | 97.1 | Very high | 9 Ų | 9 | 46.7 Ų | 46.7 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 158.9 | 172.4 | 71.1 | 177.4 | 165.8 | 0 | 0 | 111.8 | I521 R545 T546 H567 Y569 | E519-I521 HydrophobicContact CG-CG1 4.32Å; E519-R545 IonicContact OE1-CZ 2.62Å; E519-R545 IonicContact OE1-NH1 3.55Å; E519-R545 PolarHBondContact OE1-NH1 2.83Å; E519-R545 IonicContact OE2-CZ 3.96Å; E519-R545 IonicContact OE2-NH1 2.93Å; E519-R545 PolarHBondContact OE2-NH1 2.79Å; E519-T546 CarbonylContact C-O 3.46Å; E519-T546 VanDerWaalsContact CA-O 3.23Å; E519-T546 WeakPolarHBondContact CA-O 3.33Å; E519-T546 WeakPolarHBondContact CB-O 3.09Å; E519-H567 HydrophobicContact CG-CB 3.98Å; E519-H567 PolarHBondContact N-O 2.9Å; E519-H567 PolarHBondContact O-N 2.86Å; E519-H567 IonicContact OE1-CE1 3.96Å; E519-H567 IonicContact OE1-CG 3.69Å; E519-H567 IonicContact OE1-ND1 3.79Å; E519-H567 PolarHBondContact OE1-ND1 2.92Å; E519-Y569 HydrophobicContact CB-CE1 3.99Å; E519-Y569 HydrophobicContact CG-CD1 4.06Å; E519-Y569 HydrophobicContact CG-CE1 3.86Å |
| 520 | T | 98.6 | Very high | 97 | Very high | 14 Ų | 14 | 47 Ų | 47 | 9% | 0.086 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 147.2 | 165.3 | 56.5 | 0 | 0 | 0 | 0 | 110.8 | F518 R545 T546 H548 F556 P563 Y565 | F518-T520 HydrophobicContact CE1-CG2 4.15Å; F518-T520 HydrophobicContact CZ-CG2 3.86Å; T520-R545 WeakPolarHBondContact O-CA 3.38Å; T520-T546 PolarHBondContact N-O 3.24Å; T520-T546 PolarHBondContact O-N 3.36Å; T520-H548 VanDerWaalsContact CG2-NE2 3.31Å; T520-H548 WeakPolarHBondContact CG2-NE2 3.47Å; T520-H548 PolarHBondContact OG1-NE2 2.97Å; T520-F556 HydrophobicContact CG2-CE1 4.29Å; T520-F556 HydrophobicContact CG2-CE2 4.46Å; T520-F556 HydrophobicContact CG2-CZ 3.65Å; T520-P563 HydrophobicContact CG2-CB 3.58Å; T520-P563 HydrophobicContact CG2-CG 3.47Å; T520-P563 VanDerWaalsContact CG2-CG 3.47Å; T520-Y565 VanDerWaalsContact CA-O 3.25Å; T520-Y565 WeakPolarHBondContact CA-O 3.37Å |
| 521 | I | 97.6 | Very high | 96.9 | Very high | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 127.9 | 179.2 | -42.4 | 178.4 | 0 | 0 | 0 | 109.5 | E519 L543 H544 R545 Y565 F689 | E519-I521 HydrophobicContact CG-CG1 4.32Å; I521-L543 HydrophobicContact CG2-CD1 3.3Å; I521-L543 HydrophobicContact CG2-CD2 4.27Å; I521-L543 HydrophobicContact CG2-CG 3.73Å; I521-H544 WeakPolarHBondContact CA-O 3.44Å; I521-R545 HydrophobicContact CG1-CG 4.22Å; I521-R545 HydrophobicContact CG2-CG 4.16Å; I521-Y565 HydrophobicContact CB-CG 4.26Å; I521-Y565 PolarHBondContact N-O 3.26Å; I521-Y565 WeakPolarHBondContact O-CB 3.38Å; I521-Y565 PolarHBondContact O-N 2.76Å; I521-F689 HydrophobicContact CD1-CE1 3.86Å; I521-F689 HydrophobicContact CD1-CZ 4.23Å |
| 522 | D | 95.5 | Very high | 96.9 | Very high | 33 Ų | 33 | 61.3 Ų | 61.3 | 18% | 0.176 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 174.4 | 176.1 | -153.8 | -14.1 | 0 | 0 | 0 | 110.3 | H544 K561 R564 | D522-H544 PolarHBondContact N-O 3.41Å; D522-H544 PolarHBondContact O-N 3.31Å; D522-K561 WeakPolarHBondContact OD2-CE 3.45Å; D522-K561 IonicContact OD2-NZ 2.73Å; D522-K561 PolarHBondContact OD2-NZ 2.57Å; D522-R564 WeakPolarHBondContact OD1-CD 3.47Å; D522-R564 IonicContact OD1-NE 3.61Å |
| 523 | L | 94.7 | Very high | 97 | Very high | 79 Ų | 79 | 61 Ų | 61 | 41% | 0.414 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 136.1 | 172.5 | -59.4 | 179 | 0 | 0 | 0 | 109.7 | ||
| 524 | K | 94.3 | Very high | 96.9 | Very high | 134 Ų | 134 | 64.4 Ų | 64.4 | 58% | 0.583 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 130.1 | 166.5 | -173 | 175.5 | -179 | 177.7 | 0 | 109.1 | K542 H544 | K524-K542 PolarHBondContact N-O 3.44Å; K524-K542 PolarHBondContact O-N 3.09Å; K524-H544 HydrophobicContact CB-CB 4.17Å |
| 525 | Y | 96 | Very high | 96.9 | Very high | 160 Ų | 160 | 67 Ų | 67 | 63% | 0.627 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 136.5 | 173.2 | -66.5 | -74.8 | 0 | 0 | 0 | 110.5 | V539 Q540 S541 | Y525-V539 HydrophobicContact CD1-CG1 4.2Å; Y525-Q540 CarbonylContact C-O 3.54Å; Y525-Q540 WeakPolarHBondContact CA-O 3.34Å; Y525-S541 WeakPolarHBondContact CE1-OG 2.95Å |
| 526 | V | 96.4 | Very high | 96.9 | Very high | 46 Ų | 46 | 67 Ų | 67 | 28% | 0.279 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 142 | 169.9 | -62.9 | 0 | 0 | 0 | 0 | 108.5 | F528 V539 Q540 K542 | V526-F528 HydrophobicContact CG2-CD1 4.18Å; V526-F528 HydrophobicContact CG2-CE1 4.32Å; V526-V539 WeakPolarHBondContact O-CA 3.37Å; V526-Q540 HydrophobicContact CG2-CG 3.83Å; V526-Q540 PolarHBondContact N-O 3.5Å; V526-Q540 PolarHBondContact O-N 2.95Å; V526-K542 HydrophobicContact CG1-CB 3.93Å; V526-K542 HydrophobicContact CG1-CD 4.08Å; V526-K542 HydrophobicContact CG2-CB 4.37Å |
| 527 | N | 97.1 | Very high | 96.8 | Very high | 109 Ų | 109 | 73.7 Ų | 73.7 | 58% | 0.583 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 125.2 | 173.6 | -175.2 | 4.1 | 0 | 0 | 0 | 107.9 | I538 V539 | N527-I538 WeakPolarHBondContact CA-O 3.11Å; N527-V539 HydrophobicContact CB-CG2 4.16Å |
| 528 | F | 96.4 | Very high | 96.7 | Very high | 69 Ų | 69 | 75.6 Ų | 75.6 | 30% | 0.303 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 155 | -178.7 | 64.5 | -73.2 | 0 | 0 | 0 | 110.5 | V526 N530 P531 F537 I538 Q540 | V526-F528 HydrophobicContact CG2-CD1 4.18Å; V526-F528 HydrophobicContact CG2-CE1 4.32Å; F528-N530 PolarHBondContact O-N 2.96Å; F528-P531 HydrophobicContact CD2-CG 4.33Å; F528-P531 HydrophobicContact CE2-CG 3.9Å; F528-F537 WeakPolarHBondContact O-CA 3.45Å; F528-I538 WeakPolarHBondContact CD1-O 3.47Å; F528-I538 HydrophobicContact CE1-CB 4.11Å; F528-I538 HydrophobicContact CE1-CG2 3.97Å; F528-I538 HydrophobicContact CZ-CB 4.14Å; F528-I538 HydrophobicContact CZ-CG2 4.11Å; F528-I538 PolarHBondContact N-O 3Å; F528-I538 VanDerWaalsContact N-O 3.16Å; F528-I538 PolarHBondContact O-N 3.38Å; F528-Q540 HydrophobicContact CE1-CG 3.89Å |
| 529 | T | 97.5 | Very high | 96.7 | Very high | 71 Ų | 71 | 80.2 Ų | 80.2 | 44% | 0.436 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 131.5 | 173.5 | -57.7 | 0 | 0 | 0 | 0 | 109.8 | P531 P534 | T529-P531 WeakPolarHBondContact O-CD 3.39Å; T529-P534 HydrophobicContact CG2-CB 4.39Å; T529-P534 VanDerWaalsContact CG2-O 3.24Å; T529-P534 WeakPolarHBondContact CG2-O 3.27Å |
| 530 | N | 97.5 | Very high | 96.6 | Very high | 6 Ų | 6 | 84.4 Ų | 84.4 | 3% | 0.032 | 43% | 0.427 | C | S | . | . | trans | -63.2 | 114.7 | 179.1 | -180 | -10.1 | 0 | 0 | 0 | 109.9 | F528 W532 S533 N536 I538 | F528-N530 PolarHBondContact O-N 2.96Å; N530-W532 VanDerWaalsContact ND2-CE2 3.29Å; N530-W532 VanDerWaalsContact ND2-CH2 3.34Å; N530-W532 WeakPolarHBondContact ND2-CH2 3.04Å; N530-W532 WeakPolarHBondContact ND2-CZ2 3.44Å; N530-W532 PolarHBondContact O-N 3.2Å; N530-W532 VanDerWaalsContact O-N 3.14Å; N530-W532 PolarHBondContact OD1-N 2.8Å; N530-W532 VanDerWaalsContact OD1-N 3.12Å; N530-W532 PolarHBondContact OD1-NE1 2.92Å; N530-S533 WeakPolarHBondContact CB-O 3.3Å; N530-S533 CarbonylContact O-C 3.28Å; N530-S533 PolarHBondContact O-N 3.05Å; N530-S533 PolarHBondContact OD1-N 2.9Å; N530-N536 HydrophobicContact CB-CB 4.19Å; N530-N536 WeakPolarHBondContact CB-O 3.27Å; N530-N536 PolarHBondContact N-O 3.04Å; N530-I538 HydrophobicContact CB-CD1 3.91Å; N530-I538 HydrophobicContact CB-CG1 3.96Å; N530-I538 VanDerWaalsContact CG-CD1 3.48Å | ||
| 531 | P | 96.8 | Very high | 96.5 | Very high | 100 Ų | 100 | 86.3 Ų | 86.3 | 65% | 0.649 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -23.1 | -173.9 | -23.3 | 34.8 | 0 | 0 | 0 | 114.3 | F528 T529 | F528-P531 HydrophobicContact CD2-CG 4.33Å; F528-P531 HydrophobicContact CE2-CG 3.9Å; T529-P531 WeakPolarHBondContact O-CD 3.39Å |
| 532 | W | 96.6 | Very high | 96.4 | Very high | 202 Ų | 202 | 92.7 Ų | 92.7 | 77% | 0.765 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | 1.2 | 178.2 | 52.1 | -93.8 | 0 | 0 | 0 | 112.8 | N530 I538 | N530-W532 VanDerWaalsContact ND2-CE2 3.29Å; N530-W532 VanDerWaalsContact ND2-CH2 3.34Å; N530-W532 WeakPolarHBondContact ND2-CH2 3.04Å; N530-W532 WeakPolarHBondContact ND2-CZ2 3.44Å; N530-W532 PolarHBondContact O-N 3.2Å; N530-W532 VanDerWaalsContact O-N 3.14Å; N530-W532 PolarHBondContact OD1-N 2.8Å; N530-W532 VanDerWaalsContact OD1-N 3.12Å; N530-W532 PolarHBondContact OD1-NE1 2.92Å; W532-I538 HydrophobicContact CZ2-CD1 4.21Å |
| 533 | S | 97.1 | Very high | 96.4 | Very high | 34 Ų | 34 | 95.9 Ų | 95.9 | 24% | 0.238 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -152.7 | 79.7 | 173.3 | -166.8 | 0 | 0 | 0 | 0 | 111 | N530 N535 N536 | N530-S533 WeakPolarHBondContact CB-O 3.3Å; N530-S533 CarbonylContact O-C 3.28Å; N530-S533 PolarHBondContact O-N 3.05Å; N530-S533 PolarHBondContact OD1-N 2.9Å; S533-N535 PolarHBondContact O-N 2.9Å; S533-N536 PolarHBondContact O-N 3.49Å; S533-N536 PolarHBondContact OG-ND2 2.96Å |
| 534 | P | 93.4 | Very high | 96.5 | Very high | 96 Ų | 96 | 96.5 Ų | 96.5 | 62% | 0.623 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -16.2 | -165.3 | -28.2 | 36.4 | 0 | 0 | 0 | 117 | T529 N536 | T529-P534 HydrophobicContact CG2-CB 4.39Å; T529-P534 VanDerWaalsContact CG2-O 3.24Å; T529-P534 WeakPolarHBondContact CG2-O 3.27Å; P534-N536 VanDerWaalsContact C-N 3.29Å |
| 535 | N | 96.8 | Very high | 96.7 | Very high | 152 Ų | 152 | 94.6 Ų | 94.6 | 81% | 0.813 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -4.6 | 175.1 | -65.4 | -24.7 | 0 | 0 | 0 | 113.3 | S533 | S533-N535 PolarHBondContact O-N 2.9Š|
| 536 | N | 97.6 | Very high | 96.8 | Very high | 87 Ų | 87 | 89.7 Ų | 89.7 | 47% | 0.465 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -115.5 | 160.2 | -178.1 | -66.9 | -72.5 | 0 | 0 | 0 | 110.8 | N530 S533 P534 | N530-N536 HydrophobicContact CB-CB 4.19Å; N530-N536 WeakPolarHBondContact CB-O 3.27Å; N530-N536 PolarHBondContact N-O 3.04Å; S533-N536 PolarHBondContact O-N 3.49Å; S533-N536 PolarHBondContact OG-ND2 2.96Å; P534-N536 VanDerWaalsContact C-N 3.29Å |
| 537 | F | 96.7 | Very high | 96.9 | Very high | 141 Ų | 141 | 91.1 Ų | 91.1 | 62% | 0.618 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 147.3 | 175.7 | -63.7 | -86.7 | 0 | 0 | 0 | 110.3 | F528 | F528-F537 WeakPolarHBondContact O-CA 3.45Å |
| 538 | I | 97.4 | Very high | 96.9 | Very high | 42 Ų | 42 | 86.9 Ų | 86.9 | 22% | 0.215 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 126.7 | 171.5 | -69.1 | 171.8 | 0 | 0 | 0 | 108.4 | N527 F528 N530 W532 Q540 | N527-I538 WeakPolarHBondContact CA-O 3.11Å; F528-I538 WeakPolarHBondContact CD1-O 3.47Å; F528-I538 HydrophobicContact CE1-CB 4.11Å; F528-I538 HydrophobicContact CE1-CG2 3.97Å; F528-I538 HydrophobicContact CZ-CB 4.14Å; F528-I538 HydrophobicContact CZ-CG2 4.11Å; F528-I538 PolarHBondContact N-O 3Å; F528-I538 VanDerWaalsContact N-O 3.16Å; F528-I538 PolarHBondContact O-N 3.38Å; N530-I538 HydrophobicContact CB-CD1 3.91Å; N530-I538 HydrophobicContact CB-CG1 3.96Å; N530-I538 VanDerWaalsContact CG-CD1 3.48Å; W532-I538 HydrophobicContact CZ2-CD1 4.21Å; I538-Q540 HydrophobicContact CG2-CB 4.18Å |
| 539 | V | 97.4 | Very high | 97.1 | Very high | 96 Ų | 96 | 89.4 Ų | 89.4 | 58% | 0.582 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100 | 121.4 | 165.2 | -177.9 | 0 | 0 | 0 | 0 | 108 | Y525 V526 N527 | Y525-V539 HydrophobicContact CD1-CG1 4.2Å; V526-V539 WeakPolarHBondContact O-CA 3.37Å; N527-V539 HydrophobicContact CB-CG2 4.16Å |
| 540 | Q | 96.6 | Very high | 97.1 | Very high | 98 Ų | 98 | 88.1 Ų | 88.1 | 46% | 0.458 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 163.2 | 177.4 | 76.5 | -174.4 | 3.9 | 0 | 0 | 111.8 | Y525 V526 F528 I538 | Y525-Q540 CarbonylContact C-O 3.54Å; Y525-Q540 WeakPolarHBondContact CA-O 3.34Å; V526-Q540 HydrophobicContact CG2-CG 3.83Å; V526-Q540 PolarHBondContact N-O 3.5Å; V526-Q540 PolarHBondContact O-N 2.95Å; F528-Q540 HydrophobicContact CE1-CG 3.89Å; I538-Q540 HydrophobicContact CG2-CB 4.18Å |
| 541 | S | 96.7 | Very high | 97.2 | Very high | 54 Ų | 54 | 87.8 Ų | 87.8 | 38% | 0.378 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 140.7 | 174.7 | -56 | 0 | 0 | 0 | 0 | 111.6 | Y525 | Y525-S541 WeakPolarHBondContact CE1-OG 2.95Å |
| 542 | K | 96 | Very high | 97.3 | Very high | 137 Ų | 137 | 89.8 Ų | 89.8 | 60% | 0.596 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 142.2 | 169.1 | -170.2 | 174.6 | -177.6 | 177.5 | 0 | 109.2 | K524 V526 H544 | K524-K542 PolarHBondContact N-O 3.44Å; K524-K542 PolarHBondContact O-N 3.09Å; V526-K542 HydrophobicContact CG1-CB 3.93Å; V526-K542 HydrophobicContact CG1-CD 4.08Å; V526-K542 HydrophobicContact CG2-CB 4.37Å; K542-H544 PolarHBondContact O-N 2.77Å |
| 543 | L | 96.4 | Very high | 97.3 | Very high | 100 Ų | 100 | 82.5 Ų | 82.5 | 52% | 0.524 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 131.1 | 175.1 | -161.6 | 70.5 | 0 | 0 | 0 | 110.1 | I521 R545 | I521-L543 HydrophobicContact CG2-CD1 3.3Å; I521-L543 HydrophobicContact CG2-CD2 4.27Å; I521-L543 HydrophobicContact CG2-CG 3.73Å; L543-R545 HydrophobicContact CD2-CG 4.34Å; L543-R545 HydrophobicContact CG-CG 4.47Å |
| 544 | H | 96.5 | Very high | 97.4 | Very high | 92 Ų | 92 | 80.9 Ų | 80.9 | 43% | 0.426 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 123.5 | 173.8 | -173.1 | 56.1 | 0 | 0 | 0 | 109.1 | I521 D522 K524 K542 | I521-H544 WeakPolarHBondContact CA-O 3.44Å; D522-H544 PolarHBondContact N-O 3.41Å; D522-H544 PolarHBondContact O-N 3.31Å; K524-H544 HydrophobicContact CB-CB 4.17Å; K542-H544 PolarHBondContact O-N 2.77Å |
| 545 | R | 97.1 | Very high | 97.6 | Very high | 94 Ų | 94 | 77.1 Ų | 77.1 | 36% | 0.355 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 135.3 | -178.1 | -66.8 | 172.4 | 169.5 | -99.6 | -0.9 | 109.1 | E519 T520 I521 L543 | E519-R545 IonicContact OE1-CZ 2.62Å; E519-R545 IonicContact OE1-NH1 3.55Å; E519-R545 PolarHBondContact OE1-NH1 2.83Å; E519-R545 IonicContact OE2-CZ 3.96Å; E519-R545 IonicContact OE2-NH1 2.93Å; E519-R545 PolarHBondContact OE2-NH1 2.79Å; T520-R545 WeakPolarHBondContact O-CA 3.38Å; I521-R545 HydrophobicContact CG1-CG 4.22Å; I521-R545 HydrophobicContact CG2-CG 4.16Å; L543-R545 HydrophobicContact CD2-CG 4.34Å; L543-R545 HydrophobicContact CG-CG 4.47Å |
| 546 | T | 98.3 | Very high | 97.7 | Very high | 57 Ų | 57 | 71.4 Ų | 71.4 | 35% | 0.35 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 108 | 176.9 | -56.5 | 0 | 0 | 0 | 0 | 108.5 | E519 T520 H548 | E519-T546 CarbonylContact C-O 3.46Å; E519-T546 VanDerWaalsContact CA-O 3.23Å; E519-T546 WeakPolarHBondContact CA-O 3.33Å; E519-T546 WeakPolarHBondContact CB-O 3.09Å; T520-T546 PolarHBondContact N-O 3.24Å; T520-T546 PolarHBondContact O-N 3.36Å; T546-H548 PolarHBondContact O-CD2 2.76Å; T546-H548 VanDerWaalsContact O-CD2 3.26Å |
| 547 | E | 98.4 | Very high | 97.7 | Very high | 77 Ų | 77 | 72.6 Ų | 72.6 | 36% | 0.36 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 131 | 169.8 | -176.9 | -176.7 | -127.6 | 0 | 0 | 109.5 | K549 Y569 | E547-K549 HydrophobicContact CG-CG 4.49Å; E547-K549 VanDerWaalsContact OE2-CE 3.24Å; E547-K549 WeakPolarHBondContact OE2-CE 3.49Å; E547-Y569 PolarHBondContact OE1-OH 3.45Å |
| 548 | H | 98.6 | Very high | 97.6 | Very high | 20 Ų | 20 | 67.4 Ų | 67.4 | 9% | 0.093 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 120.7 | 176.6 | -68.6 | -92.9 | 0 | 0 | 0 | 108.7 | F518 T520 T546 S553 A554 F556 I650 | F518-H548 HydrophobicContact CD1-CB 3.72Å; F518-H548 AromaticContact CD1-CD2 3.91Å; F518-H548 AromaticContact CD1-CG 3.96Å; F518-H548 HydrophobicContact CE1-CB 4.24Å; F518-H548 AromaticContact CE1-CD2 3.68Å; F518-H548 AromaticContact CE1-CG 3.98Å; F518-H548 PolarHBondContact O-N 2.7Å; T520-H548 VanDerWaalsContact CG2-NE2 3.31Å; T520-H548 WeakPolarHBondContact CG2-NE2 3.47Å; T520-H548 PolarHBondContact OG1-NE2 2.97Å; T546-H548 PolarHBondContact O-CD2 2.76Å; T546-H548 VanDerWaalsContact O-CD2 3.26Å; H548-S553 WeakPolarHBondContact CB-OG 3.35Å; H548-S553 PolarHBondContact CE1-O 3.31Å; H548-S553 VanDerWaalsContact CE1-O 3.26Å; H548-S553 PolarHBondContact ND1-O 2.86Å; H548-A554 HydrophobicContact CB-CB 4.05Å; H548-F556 AromaticContact CE1-CZ 3.8Å; H548-F556 AromaticContact NE2-CZ 3.89Å; H548-I650 HydrophobicContact CB-CD1 4.26Å; H548-I650 WeakPolarHBondContact O-CD1 3.42Å; H548-I650 WeakPolarHBondContact O-CG1 3.39Å |
| 549 | K | 98.7 | Very high | 97.3 | Very high | 122 Ų | 122 | 68.2 Ų | 68.2 | 53% | 0.53 | 35% | 0.345 | S | S | . | . | trans | -96.9 | -20.7 | -171.2 | -59.9 | -171.9 | 177.3 | -175.8 | 0 | 113.9 | E547 S553 N649 I650 V651 | E547-K549 HydrophobicContact CG-CG 4.49Å; E547-K549 VanDerWaalsContact OE2-CE 3.24Å; E547-K549 WeakPolarHBondContact OE2-CE 3.49Å; K549-S553 PolarHBondContact N-OG 2.71Å; K549-N649 WeakPolarHBondContact O-CA 3.4Å; K549-N649 PolarHBondContact O-OD1 3.24Å; K549-I650 VanDerWaalsContact C-CG1 3.49Å; K549-I650 WeakPolarHBondContact O-CG1 3.44Å; K549-I650 PolarHBondContact O-N 3.45Å; K549-V651 HydrophobicContact CB-CG2 3.88Å; K549-V651 HydrophobicContact CG-CG2 3.82Å | ||
| 550 | T | 98.8 | Very high | 97.1 | Very high | 43 Ų | 43 | 71.4 Ų | 71.4 | 26% | 0.264 | 35% | 0.351 | S | S | . | . | B | Isolated β-bridge | trans | -131.7 | 157.5 | -179.3 | 76.3 | 0 | 0 | 0 | 0 | 112.5 | R552 S553 A554 N647 E648 | T550-R552 VanDerWaalsContact C-N 3.34Å; T550-R552 PolarHBondContact O-N 3.45Å; T550-S553 PolarHBondContact N-OG 3.07Å; T550-S553 WeakPolarHBondContact O-CB 3.21Å; T550-S553 PolarHBondContact O-N 3.39Å; T550-S553 PolarHBondContact O-OG 3.17Å; T550-A554 PolarHBondContact O-N 3.35Å; T550-N647 WeakPolarHBondContact CB-OD1 3.33Å; T550-N647 PolarHBondContact OG1-OD1 2.94Å; T550-E648 WeakPolarHBondContact CA-O 3.27Å |
| 551 | E | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -54.8 | -46 | -179.4 | -60.2 | 174.1 | 137.8 | 0 | 0 | 112.3 | S553 A554 A555 V614 T615 R616 N646 N647 E648 I650 | E551-S553 VanDerWaalsContact C-N 3.25Å; E551-S553 PolarHBondContact O-N 3.37Å; E551-A554 CarbonylContact O-C 3.48Å; E551-A554 WeakPolarHBondContact O-CA 3.47Å; E551-A554 PolarHBondContact O-N 3.11Å; E551-A555 PolarHBondContact O-N 3.29Å; E551-V614 WeakPolarHBondContact CA-O 3.2Å; E551-T615 WeakPolarHBondContact OE1-CA 3.46Å; E551-R616 PolarHBondContact OE1-N 2.77Å; E551-N646 VanDerWaalsContact OE2-CG 3.31Å; E551-N646 PolarHBondContact OE2-ND2 2.86Å; E551-N646 PolarHBondContact OE2-OD1 3.28Å; E551-N647 PolarHBondContact OE2-N 2.83Å; E551-E648 HydrophobicContact CG-CB 4.32Å; E551-E648 PolarHBondContact N-O 3.39Å; E551-E648 VanDerWaalsContact N-O 3.11Å; E551-E648 PolarHBondContact OE2-N 3.33Å; E551-I650 HydrophobicContact CG-CG2 3.55Å |
| 552 | R | 98.4 | Very high | 96.8 | Very high | 142 Ų | 142 | 74.8 Ų | 74.8 | 54% | 0.536 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -63 | -32.6 | 178.4 | -65.9 | -179.8 | -178.3 | -174.8 | 3.8 | 112.8 | T550 A554 A555 I644 R645 N647 | T550-R552 VanDerWaalsContact C-N 3.34Å; T550-R552 PolarHBondContact O-N 3.45Å; R552-A554 PolarHBondContact O-N 3.1Å; R552-A555 PolarHBondContact O-N 3.22Å; R552-I644 HydrophobicContact CG-CG2 3.91Å; R552-I644 WeakPolarHBondContact CG-O 3.35Å; R552-R645 PolarHBondContact NH2-O 3.15Å; R552-N647 WeakPolarHBondContact CB-OD1 3.2Å; R552-N647 HydrophobicContact CG-CB 3.85Å; R552-N647 WeakPolarHBondContact CG-OD1 3.27Å; R552-N647 PolarHBondContact N-OD1 3.3Å; R552-N647 VanDerWaalsContact N-OD1 3.15Å |
| 553 | S | 98.3 | Very high | 96.6 | Very high | 48 Ų | 48 | 69.1 Ų | 69.1 | 34% | 0.336 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -70 | -24.2 | 176.9 | 75.8 | 0 | 0 | 0 | 0 | 111.9 | H548 K549 T550 E551 | H548-S553 WeakPolarHBondContact CB-OG 3.35Å; H548-S553 PolarHBondContact CE1-O 3.31Å; H548-S553 VanDerWaalsContact CE1-O 3.26Å; H548-S553 PolarHBondContact ND1-O 2.86Å; K549-S553 PolarHBondContact N-OG 2.71Å; T550-S553 PolarHBondContact N-OG 3.07Å; T550-S553 WeakPolarHBondContact O-CB 3.21Å; T550-S553 PolarHBondContact O-N 3.39Å; T550-S553 PolarHBondContact O-OG 3.17Å; E551-S553 VanDerWaalsContact C-N 3.25Å; E551-S553 PolarHBondContact O-N 3.37Å |
| 554 | A | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -104.1 | 11.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | F518 H548 T550 E551 R552 F556 A613 V614 I650 | F518-A554 HydrophobicContact CD1-CB 3.61Å; F518-A554 HydrophobicContact CE1-CB 3.79Å; H548-A554 HydrophobicContact CB-CB 4.05Å; T550-A554 PolarHBondContact O-N 3.35Å; E551-A554 CarbonylContact O-C 3.48Å; E551-A554 WeakPolarHBondContact O-CA 3.47Å; E551-A554 PolarHBondContact O-N 3.11Å; R552-A554 PolarHBondContact O-N 3.1Å; A554-F556 WeakPolarHBondContact O-CD2 3.44Å; A554-F556 WeakPolarHBondContact O-CE2 3.24Å; A554-A613 WeakPolarHBondContact O-CA 3.47Å; A554-V614 HydrophobicContact CB-CB 3.73Å; A554-V614 HydrophobicContact CB-CG2 3.93Å; A554-V614 PolarHBondContact O-N 2.78Å; A554-I650 HydrophobicContact CB-CD1 3.6Å |
| 555 | A | 98.4 | Very high | 96.5 | Very high | 18 Ų | 18 | 71.7 Ų | 71.7 | 15% | 0.149 | 33% | 0.334 | C | S | . | . | trans | -99.4 | 91.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | E551 R552 Y610 A613 I644 | E551-A555 PolarHBondContact O-N 3.29Å; R552-A555 PolarHBondContact O-N 3.22Å; A555-Y610 HydrophobicContact CB-CD1 4.08Å; A555-Y610 HydrophobicContact CB-CE1 3.92Å; A555-A613 HydrophobicContact CB-CB 4.2Å; A555-I644 HydrophobicContact CB-CD1 4.08Å; A555-I644 HydrophobicContact CB-CG2 3.86Å | ||
| 556 | F | 98.1 | Very high | 96.6 | Very high | 31 Ų | 31 | 67.2 Ų | 67.2 | 14% | 0.136 | 32% | 0.318 | C | S | . | . | B | Isolated β-bridge | trans | -83.5 | 129.8 | -178.2 | -56.3 | -83.3 | 0 | 0 | 0 | 109.8 | F518 T520 H548 A554 F562 P563 Y610 P611 L612 | F518-F556 AromaticContact CE1-CE2 3.72Å; F518-F556 HydrophobicContact CE1-CE2 3.72Å; F518-F556 AromaticContact CE1-CZ 3.93Å; F518-F556 HydrophobicContact CE1-CZ 3.93Å; F518-F556 AromaticContact CZ-CE2 3.83Å; F518-F556 HydrophobicContact CZ-CE2 3.83Å; F518-F556 HydrophobicContact CZ-CZ 4.2Å; T520-F556 HydrophobicContact CG2-CE1 4.29Å; T520-F556 HydrophobicContact CG2-CE2 4.46Å; T520-F556 HydrophobicContact CG2-CZ 3.65Å; H548-F556 AromaticContact CE1-CZ 3.8Å; H548-F556 AromaticContact NE2-CZ 3.89Å; A554-F556 WeakPolarHBondContact O-CD2 3.44Å; A554-F556 WeakPolarHBondContact O-CE2 3.24Å; F556-F562 HydrophobicContact CB-CD2 4.04Å; F556-F562 HydrophobicContact CB-CE2 3.95Å; F556-F562 HydrophobicContact CD2-CE2 4.36Å; F556-F562 HydrophobicContact CG-CD2 4.41Å; F556-F562 HydrophobicContact CG-CE2 4.19Å; F556-P563 HydrophobicContact CD1-CG 3.85Å; F556-P563 HydrophobicContact CE1-CG 3.39Å; F556-P563 HydrophobicContact CE2-CG 4.46Å; F556-P563 HydrophobicContact CZ-CG 3.75Å; F556-Y610 VanDerWaalsContact O-CA 3.23Å; F556-Y610 WeakPolarHBondContact O-CA 3.19Å; F556-Y610 WeakPolarHBondContact O-CB 3.29Å; F556-Y610 WeakPolarHBondContact O-CD1 3.41Å; F556-P611 HydrophobicContact CB-CG 4.41Å; F556-P611 WeakPolarHBondContact O-CD 3.44Å; F556-L612 HydrophobicContact CD2-CB 4.1Å; F556-L612 HydrophobicContact CD2-CD2 3.91Å; F556-L612 HydrophobicContact CD2-CG 4.41Å; F556-L612 HydrophobicContact CE2-CD2 3.97Å; F556-L612 PolarHBondContact N-O 3.36Å |
| 557 | R | 96.6 | Very high | 96.6 | Very high | 112 Ų | 112 | 64.7 Ų | 64.7 | 42% | 0.423 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -99.5 | 149.7 | 179.3 | -69.5 | -177 | 178.4 | 156.3 | 7.5 | 112.1 | K560 R609 Y610 | R557-K560 PolarHBondContact O-N 2.86Å; R557-R609 VanDerWaalsContact CA-O 3.31Å; R557-R609 WeakPolarHBondContact CA-O 3.42Å; R557-Y610 HydrophobicContact CG-CD1 3.69Å; R557-Y610 HydrophobicContact CG-CE1 3.45Å; R557-Y610 VanDerWaalsContact CG-CE1 3.45Å; R557-Y610 PolarHBondContact NH2-OH 2.85Å |
| 558 | F | 95.6 | Very high | 96.6 | Very high | 32 Ų | 32 | 61 Ų | 61 | 14% | 0.14 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 153.1 | 166.9 | -71.1 | -65.7 | 0 | 0 | 0 | 111.4 | K560 A591 S608 R609 P611 T660 | F558-K560 PolarHBondContact O-N 2.91Å; F558-A591 WeakPolarHBondContact CD1-O 3.16Å; F558-A591 HydrophobicContact CE1-CB 3.65Å; F558-A591 VanDerWaalsContact CE1-O 3.27Å; F558-A591 WeakPolarHBondContact CE1-O 3.45Å; F558-A591 HydrophobicContact CZ-CB 3.53Å; F558-S608 VanDerWaalsContact CD2-O 3.23Å; F558-S608 WeakPolarHBondContact CD2-O 3.46Å; F558-S608 VanDerWaalsContact CE2-O 3.23Å; F558-S608 WeakPolarHBondContact CE2-O 3.4Å; F558-R609 PolarHBondContact N-O 3.39Å; F558-R609 VanDerWaalsContact N-O 3.07Å; F558-P611 HydrophobicContact CD1-CB 4.26Å; F558-P611 HydrophobicContact CD1-CG 4.13Å; F558-P611 HydrophobicContact CE1-CB 3.67Å; F558-P611 HydrophobicContact CE1-CG 4.05Å; F558-P611 HydrophobicContact CZ-CB 3.84Å; F558-P611 HydrophobicContact CZ-CG 4.37Å; F558-T660 HydrophobicContact CE2-CG2 4.19Å; F558-T660 HydrophobicContact CZ-CG2 4.2Å |
| 559 | G | 90.4 | Very high | 96.6 | Very high | 59 Ų | 59 | 60.6 Ų | 60.6 | 61% | 0.608 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | 1.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 560 | K | 93.4 | Very high | 96.6 | Very high | 164 Ų | 164 | 55.2 Ų | 55.2 | 71% | 0.713 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -109.6 | 158.6 | 170.7 | -59.8 | -60 | -177.5 | -172.2 | 0 | 110.6 | R557 F558 F562 | R557-K560 PolarHBondContact O-N 2.86Å; F558-K560 PolarHBondContact O-N 2.91Å; K560-F562 PolarHBondContact O-N 3.36Å; K560-F562 VanDerWaalsContact O-N 3.08Å |
| 561 | K | 92.2 | Very high | 96.5 | Very high | 159 Ų | 159 | 55 Ų | 55 | 69% | 0.691 | 26% | 0.258 | S | S | * | . | trans | -60.2 | 115.5 | 175.5 | -176.6 | -176.3 | 172.2 | -163.8 | 0 | 109.1 | D522 | D522-K561 WeakPolarHBondContact OD2-CE 3.45Å; D522-K561 IonicContact OD2-NZ 2.73Å; D522-K561 PolarHBondContact OD2-NZ 2.57Å | ||
| 562 | F | 94.3 | Very high | 96.5 | Very high | 64 Ų | 64 | 59.2 Ų | 59.2 | 28% | 0.281 | 29% | 0.288 | S | S | . | . | trans | -80.7 | 139.8 | 175.5 | -165 | -104.8 | 0 | 0 | 0 | 110.8 | F556 K560 V566 F587 P611 L612 | F556-F562 HydrophobicContact CB-CD2 4.04Å; F556-F562 HydrophobicContact CB-CE2 3.95Å; F556-F562 HydrophobicContact CD2-CE2 4.36Å; F556-F562 HydrophobicContact CG-CD2 4.41Å; F556-F562 HydrophobicContact CG-CE2 4.19Å; K560-F562 PolarHBondContact O-N 3.36Å; K560-F562 VanDerWaalsContact O-N 3.08Å; F562-V566 HydrophobicContact CE1-CG2 3.85Å; F562-V566 HydrophobicContact CZ-CG2 3.78Å; F562-F587 AromaticContact CE1-CD2 3.49Å; F562-F587 HydrophobicContact CE1-CD2 3.49Å; F562-F587 VanDerWaalsContact CE1-CD2 3.49Å; F562-F587 AromaticContact CE1-CE2 3.64Å; F562-F587 HydrophobicContact CE1-CE2 3.64Å; F562-F587 HydrophobicContact CE1-CG 4.16Å; F562-F587 HydrophobicContact CE1-CZ 4.38Å; F562-F587 HydrophobicContact CE2-CE2 4.44Å; F562-F587 AromaticContact CZ-CD2 3.69Å; F562-F587 HydrophobicContact CZ-CD2 3.69Å; F562-F587 HydrophobicContact CZ-CE1 4.42Å; F562-F587 AromaticContact CZ-CE2 3.32Å; F562-F587 HydrophobicContact CZ-CE2 3.32Å; F562-F587 HydrophobicContact CZ-CG 4.43Å; F562-F587 AromaticContact CZ-CZ 3.74Å; F562-F587 HydrophobicContact CZ-CZ 3.74Å; F562-P611 HydrophobicContact CD2-CB 4.23Å; F562-P611 HydrophobicContact CD2-CG 3.79Å; F562-P611 HydrophobicContact CE2-CB 3.99Å; F562-P611 HydrophobicContact CE2-CG 3.84Å; F562-L612 HydrophobicContact CE2-CB 3.87Å; F562-L612 HydrophobicContact CZ-CB 4.01Å; F562-L612 HydrophobicContact CZ-CD2 4.46Å | ||
| 563 | P | 93.3 | Very high | 96.5 | Very high | 18 Ų | 18 | 56.2 Ų | 56.2 | 12% | 0.117 | 28% | 0.28 | C | S | . | . | trans | -63.3 | 145.1 | 178.3 | -19.3 | 30.7 | 0 | 0 | 0 | 112.9 | T520 F556 V566 | T520-P563 HydrophobicContact CG2-CB 3.58Å; T520-P563 HydrophobicContact CG2-CG 3.47Å; T520-P563 VanDerWaalsContact CG2-CG 3.47Å; F556-P563 HydrophobicContact CD1-CG 3.85Å; F556-P563 HydrophobicContact CE1-CG 3.39Å; F556-P563 HydrophobicContact CE2-CG 4.46Å; F556-P563 HydrophobicContact CZ-CG 3.75Å; P563-V566 HydrophobicContact CB-CG2 4.24Å; P563-V566 HydrophobicContact CG-CG2 4.5Å | ||
| 564 | R | 93.7 | Very high | 96.5 | Very high | 161 Ų | 161 | 60 Ų | 60 | 61% | 0.608 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -71.4 | -34.1 | 177.6 | -65.8 | -175.7 | -178.8 | -172.2 | 0.6 | 112.8 | D522 | D522-R564 WeakPolarHBondContact OD1-CD 3.47Å; D522-R564 IonicContact OD1-NE 3.61Å |
| 565 | Y | 97.4 | Very high | 96.4 | Very high | 84 Ų | 84 | 60.3 Ų | 60.3 | 33% | 0.329 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 122.9 | 177.1 | -77.3 | -119 | 0 | 0 | 0 | 108.4 | T520 I521 R584 F689 | T520-Y565 VanDerWaalsContact CA-O 3.25Å; T520-Y565 WeakPolarHBondContact CA-O 3.37Å; I521-Y565 HydrophobicContact CB-CG 4.26Å; I521-Y565 PolarHBondContact N-O 3.26Å; I521-Y565 WeakPolarHBondContact O-CB 3.38Å; I521-Y565 PolarHBondContact O-N 2.76Å; Y565-R584 PolarHBondContact OH-NH1 2.97Å; Y565-R584 VanDerWaalsContact OH-NH1 3.1Å; Y565-F689 HydrophobicContact CD1-CE2 4.36Å; Y565-F689 HydrophobicContact CE1-CD2 4.41Å; Y565-F689 AromaticContact CE1-CE2 3.94Å; Y565-F689 HydrophobicContact CE1-CE2 3.94Å; Y565-F689 HydrophobicContact CE1-CZ 4.47Å |
| 566 | V | 98.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 108 | 175.4 | 167.3 | 0 | 0 | 0 | 0 | 105.8 | F518 F562 P563 F568 R584 I585 L612 | F518-V566 HydrophobicContact CE2-CB 4.31Å; F518-V566 HydrophobicContact CE2-CG1 3.46Å; F518-V566 VanDerWaalsContact CE2-CG1 3.46Å; F518-V566 HydrophobicContact CZ-CB 4.5Å; F518-V566 HydrophobicContact CZ-CG1 3.8Å; F562-V566 HydrophobicContact CE1-CG2 3.85Å; F562-V566 HydrophobicContact CZ-CG2 3.78Å; P563-V566 HydrophobicContact CB-CG2 4.24Å; P563-V566 HydrophobicContact CG-CG2 4.5Å; V566-F568 HydrophobicContact CG1-CE2 4.17Å; V566-R584 CarbonylContact O-C 3.56Å; V566-R584 WeakPolarHBondContact O-CA 3.09Å; V566-R584 VanDerWaalsContact O-CB 3.29Å; V566-R584 WeakPolarHBondContact O-CB 3.49Å; V566-I585 HydrophobicContact CG1-CB 4.06Å; V566-I585 HydrophobicContact CG1-CG1 4.45Å; V566-I585 PolarHBondContact O-N 3.22Å; V566-L612 HydrophobicContact CB-CD2 4.3Å; V566-L612 HydrophobicContact CG1-CD2 3.23Å; V566-L612 HydrophobicContact CG2-CD2 4.07Å |
| 567 | H | 98.6 | Very high | 96.5 | Very high | 3 Ų | 3 | 72.7 Ų | 72.7 | 1% | 0.014 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 123.3 | -164 | -179.6 | -130.9 | 0 | 0 | 0 | 112.1 | F518 E519 G582 Y583 F689 | F518-H567 VanDerWaalsContact CD2-O 3.29Å; F518-H567 WeakPolarHBondContact CD2-O 3.33Å; E519-H567 HydrophobicContact CG-CB 3.98Å; E519-H567 PolarHBondContact N-O 2.9Å; E519-H567 PolarHBondContact O-N 2.86Å; E519-H567 IonicContact OE1-CE1 3.96Å; E519-H567 IonicContact OE1-CG 3.69Å; E519-H567 IonicContact OE1-ND1 3.79Å; E519-H567 PolarHBondContact OE1-ND1 2.92Å; H567-G582 WeakPolarHBondContact NE2-CA 3.19Å; H567-Y583 PolarHBondContact CD2-O 3.34Å; H567-F689 AromaticContact CD2-CD1 3.78Å; H567-F689 AromaticContact CE1-CD1 3.69Å; H567-F689 AromaticContact NE2-CD1 3.45Å; H567-F689 WeakPolarHBondContact NE2-CD1 3.47Å |
| 568 | F | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 133 | 171.8 | -68.6 | -101.9 | 0 | 0 | 0 | 108.7 | L509 I511 S517 F518 V566 G582 Y583 I585 V614 L655 A657 | L509-F568 HydrophobicContact CD1-CB 3.86Å; L509-F568 HydrophobicContact CD1-CD1 4.04Å; L509-F568 HydrophobicContact CD1-CD2 3.57Å; L509-F568 HydrophobicContact CD1-CE1 4.49Å; L509-F568 HydrophobicContact CD1-CE2 4.09Å; L509-F568 HydrophobicContact CD1-CG 3.55Å; I511-F568 HydrophobicContact CG1-CB 4.39Å; S517-F568 WeakPolarHBondContact O-CA 3.49Å; F518-F568 HydrophobicContact CB-CE1 4.46Å; F518-F568 HydrophobicContact CD2-CD1 4.21Å; F518-F568 AromaticContact CD2-CD2 3.93Å; F518-F568 HydrophobicContact CD2-CD2 3.93Å; F518-F568 HydrophobicContact CD2-CE1 4.01Å; F518-F568 AromaticContact CD2-CE2 3.7Å; F518-F568 HydrophobicContact CD2-CE2 3.7Å; F518-F568 HydrophobicContact CD2-CG 4.17Å; F518-F568 AromaticContact CD2-CZ 3.74Å; F518-F568 HydrophobicContact CD2-CZ 3.74Å; F518-F568 HydrophobicContact CE2-CD2 4.25Å; F518-F568 AromaticContact CE2-CE2 3.81Å; F518-F568 HydrophobicContact CE2-CE2 3.81Å; F518-F568 HydrophobicContact CE2-CZ 4.13Å; F518-F568 HydrophobicContact CG-CE1 4.47Å; F518-F568 HydrophobicContact CG-CZ 4.46Å; V566-F568 HydrophobicContact CG1-CE2 4.17Å; F568-G582 CarbonylContact O-C 3.52Å; F568-G582 WeakPolarHBondContact O-CA 3.2Å; F568-Y583 PolarHBondContact N-O 3.15Å; F568-Y583 PolarHBondContact O-N 3.11Å; F568-I585 HydrophobicContact CD2-CD1 4.3Å; F568-I585 HydrophobicContact CD2-CG1 4.29Å; F568-I585 HydrophobicContact CE2-CD1 3.66Å; F568-I585 HydrophobicContact CE2-CG1 4.06Å; F568-I585 HydrophobicContact CZ-CD1 4.42Å; F568-V614 HydrophobicContact CE1-CG1 3.7Å; F568-V614 HydrophobicContact CE1-CG2 4.09Å; F568-V614 HydrophobicContact CZ-CB 4.47Å; F568-V614 HydrophobicContact CZ-CG1 4.07Å; F568-V614 HydrophobicContact CZ-CG2 3.58Å; F568-L655 HydrophobicContact CD1-CB 4.41Å; F568-L655 HydrophobicContact CD1-CD1 4.19Å; F568-L655 HydrophobicContact CE1-CB 4.25Å; F568-L655 HydrophobicContact CE1-CD1 4.28Å; F568-A657 HydrophobicContact CE1-CB 4.2Å; F568-A657 HydrophobicContact CE2-CB 3.97Å; F568-A657 HydrophobicContact CZ-CB 3.44Å; F568-A657 VanDerWaalsContact CZ-CB 3.44Å |
| 569 | Y | 98.8 | Very high | 96.7 | Very high | 12 Ų | 12 | 72.2 Ų | 72.2 | 5% | 0.047 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 154 | -176.8 | 68.2 | -83.9 | 0 | 0 | 0 | 112.2 | N516 S517 E519 E547 P571 Q580 K581 | N516-Y569 CarbonylContact C-O 3.08Å; N516-Y569 WeakPolarHBondContact CA-O 3.35Å; S517-Y569 VanDerWaalsContact CB-CZ 3.49Å; S517-Y569 PolarHBondContact N-O 2.78Å; S517-Y569 WeakPolarHBondContact O-CD1 3.49Å; S517-Y569 PolarHBondContact O-N 2.67Å; E519-Y569 HydrophobicContact CB-CE1 3.99Å; E519-Y569 HydrophobicContact CG-CD1 4.06Å; E519-Y569 HydrophobicContact CG-CE1 3.86Å; E547-Y569 PolarHBondContact OE1-OH 3.45Å; Y569-P571 HydrophobicContact CE2-CB 4.13Å; Y569-Q580 HydrophobicContact CD2-CB 3.69Å; Y569-Q580 HydrophobicContact CD2-CG 3.87Å; Y569-Q580 HydrophobicContact CE2-CG 4.24Å; Y569-Q580 HydrophobicContact CG-CB 4.27Å; Y569-K581 VanDerWaalsContact CA-O 3.31Å; Y569-K581 WeakPolarHBondContact CA-O 3.23Å; Y569-K581 WeakPolarHBondContact CB-O 3.23Å |
| 570 | N | 98.6 | Very high | 97.1 | Very high | 8 Ų | 8 | 72.2 Ų | 72.2 | 4% | 0.043 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 117.8 | 171.5 | -173.4 | -40.4 | 0 | 0 | 0 | 109 | I511 V512 S572 E573 K581 | I511-N570 HydrophobicContact CG2-CB 4.47Å; I511-N570 WeakPolarHBondContact O-CB 3.19Å; I511-N570 PolarHBondContact O-ND2 2.86Å; V512-N570 PolarHBondContact O-ND2 2.94Å; V512-N570 VanDerWaalsContact O-ND2 3.16Å; N570-S572 VanDerWaalsContact C-N 3.25Å; N570-S572 PolarHBondContact O-N 3.46Å; N570-S572 WeakPolarHBondContact OD1-CB 3.48Å; N570-S572 PolarHBondContact OD1-N 2.86Å; N570-E573 HydrophobicContact CB-CB 4.09Å; N570-E573 HydrophobicContact CB-CG 4.44Å; N570-E573 PolarHBondContact OD1-N 2.93Å; N570-K581 PolarHBondContact N-O 3.29Å |
| 571 | P | 97.1 | Very high | 97.3 | Very high | 38 Ų | 38 | 65.7 Ų | 65.7 | 25% | 0.247 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | -21.7 | -176.4 | 29 | -34.2 | 0 | 0 | 0 | 113.2 | D515 Y569 N652 | D515-P571 WeakPolarHBondContact O-CD 3.43Å; Y569-P571 HydrophobicContact CE2-CB 4.13Å; P571-N652 HydrophobicContact CG-CB 4.18Å; P571-N652 WeakPolarHBondContact CG-OD1 3.48Å |
| 572 | S | 97.6 | Very high | 97.6 | Very high | 89 Ų | 89 | 58.1 Ų | 58.1 | 62% | 0.622 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -21.8 | -177.9 | -56.3 | 0 | 0 | 0 | 0 | 112.7 | N570 | N570-S572 VanDerWaalsContact C-N 3.25Å; N570-S572 PolarHBondContact O-N 3.46Å; N570-S572 WeakPolarHBondContact OD1-CB 3.48Å; N570-S572 PolarHBondContact OD1-N 2.86Å |
| 573 | E | 97.9 | Very high | 97.8 | Very high | 79 Ų | 79 | 55 Ų | 55 | 37% | 0.369 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 123.5 | -173.9 | -66.6 | -62.3 | 145.6 | 0 | 0 | 111.4 | V512 N570 Q580 K581 | V512-E573 HydrophobicContact CB-CG 4.17Å; V512-E573 HydrophobicContact CG1-CG 3.93Å; N570-E573 HydrophobicContact CB-CB 4.09Å; N570-E573 HydrophobicContact CB-CG 4.44Å; N570-E573 PolarHBondContact OD1-N 2.93Å; E573-Q580 WeakPolarHBondContact O-CA 3.33Å; E573-K581 HydrophobicContact CB-CB 4.41Å; E573-K581 HydrophobicContact CB-CD 4.26Å; E573-K581 HydrophobicContact CB-CG 4.41Å; E573-K581 PolarHBondContact O-N 3.19Å |
| 574 | K | 98.3 | Very high | 98 | Very high | 127 Ų | 127 | 55.9 Ų | 55.9 | 55% | 0.552 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 146.5 | -179.6 | -66.9 | 178 | 179.2 | -179.5 | 0 | 111.2 | H579 | K574-H579 CarbonylContact C-O 3.17Å; K574-H579 VanDerWaalsContact CA-O 3.23Å; K574-H579 WeakPolarHBondContact CA-O 3.31Å |
| 575 | N | 98.2 | Very high | 98.3 | Very high | 8 Ų | 8 | 48.4 Ų | 48.4 | 4% | 0.043 | 24% | 0.235 | C | C | . | . | trans | -73.7 | 174.2 | 165.6 | 74.2 | 7.2 | 0 | 0 | 0 | 111 | W577 G578 H579 N690 | N575-W577 PolarHBondContact O-N 2.66Å; N575-W577 WeakPolarHBondContact OD1-CA 3.5Å; N575-W577 WeakPolarHBondContact OD1-CB 3.11Å; N575-W577 PolarHBondContact OD1-N 3.46Å; N575-G578 PolarHBondContact O-N 2.72Å; N575-G578 PolarHBondContact OD1-N 2.8Å; N575-H579 PolarHBondContact N-O 3.34Å; N575-H579 PolarHBondContact OD1-N 3.02Å; N575-H579 VanDerWaalsContact OD1-N 3.09Å; N575-H579 PolarHBondContact OD1-O 3Å; N575-N690 WeakPolarHBondContact CB-O 3.49Å; N575-N690 PolarHBondContact ND2-O 3.02Å; N575-N690 VanDerWaalsContact ND2-O 3.12Å | ||
| 576 | K | 98.4 | Very high | 98.3 | Very high | 154 Ų | 154 | 47.7 Ų | 47.7 | 67% | 0.67 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -22.3 | 179.1 | -177.7 | 178.5 | 175.6 | -176.5 | 0 | 113.7 | N693 | K576-N693 HydrophobicContact CB-CB 4.32Å; K576-N693 VanDerWaalsContact CB-OD1 3.29Å; K576-N693 WeakPolarHBondContact CB-OD1 3.39Å; K576-N693 PolarHBondContact N-OD1 3.09Å |
| 577 | W | 98.4 | Very high | 98.2 | Very high | 154 Ų | 154 | 49.8 Ų | 49.8 | 58% | 0.583 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 3.6 | -178.3 | -43.8 | 121.1 | 0 | 0 | 0 | 113.3 | N575 H579 N693 | N575-W577 PolarHBondContact O-N 2.66Å; N575-W577 WeakPolarHBondContact OD1-CA 3.5Å; N575-W577 WeakPolarHBondContact OD1-CB 3.11Å; N575-W577 PolarHBondContact OD1-N 3.46Å; W577-H579 VanDerWaalsContact C-N 3.31Å; W577-H579 PolarHBondContact O-N 2.78Å; W577-N693 PolarHBondContact NE1-O 3Å |
| 578 | G | 98.2 | Very high | 98 | Very high | 43 Ų | 43 | 52.5 Ų | 52.5 | 44% | 0.443 | 26% | 0.258 | S | S | . | . | S | Bend | trans | 81.5 | 5.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | N575 | N575-G578 PolarHBondContact O-N 2.72Å; N575-G578 PolarHBondContact OD1-N 2.8Å |
| 579 | H | 98.4 | Very high | 98 | Very high | 91 Ų | 91 | 54.2 Ų | 54.2 | 42% | 0.421 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -84.9 | 143.5 | 173.1 | -64.5 | -63 | 0 | 0 | 0 | 110.5 | K574 N575 W577 N690 | K574-H579 CarbonylContact C-O 3.17Å; K574-H579 VanDerWaalsContact CA-O 3.23Å; K574-H579 WeakPolarHBondContact CA-O 3.31Å; N575-H579 PolarHBondContact N-O 3.34Å; N575-H579 PolarHBondContact OD1-N 3.02Å; N575-H579 VanDerWaalsContact OD1-N 3.09Å; N575-H579 PolarHBondContact OD1-O 3Å; W577-H579 VanDerWaalsContact C-N 3.31Å; W577-H579 PolarHBondContact O-N 2.78Å; H579-N690 HydrophobicContact CB-CB 3.73Å |
| 580 | Q | 98.4 | Very high | 97.8 | Very high | 60 Ų | 60 | 59.9 Ų | 59.9 | 28% | 0.28 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 137.5 | 175.8 | -67.1 | 138.2 | -24 | 0 | 0 | 110.3 | Y569 E573 | Y569-Q580 HydrophobicContact CD2-CB 3.69Å; Y569-Q580 HydrophobicContact CD2-CG 3.87Å; Y569-Q580 HydrophobicContact CE2-CG 4.24Å; Y569-Q580 HydrophobicContact CG-CB 4.27Å; E573-Q580 WeakPolarHBondContact O-CA 3.33Å |
| 581 | K | 98.7 | Very high | 97.7 | Very high | 26 Ų | 26 | 60.1 Ų | 60.1 | 11% | 0.113 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 130.8 | 174.3 | -70.7 | -168.9 | 168.7 | -176.1 | 0 | 109.3 | E333 V512 Y569 N570 E573 F691 | E333-K581 IonicContact OE1-NZ 3.79Å; E333-K581 PolarHBondContact OE1-NZ 3.01Å; E333-K581 IonicContact OE2-NZ 3.85Å; E333-K581 PolarHBondContact OE2-NZ 3.38Å; V512-K581 HydrophobicContact CG2-CD 3.8Å; Y569-K581 VanDerWaalsContact CA-O 3.31Å; Y569-K581 WeakPolarHBondContact CA-O 3.23Å; Y569-K581 WeakPolarHBondContact CB-O 3.23Å; N570-K581 PolarHBondContact N-O 3.29Å; E573-K581 HydrophobicContact CB-CB 4.41Å; E573-K581 HydrophobicContact CB-CD 4.26Å; E573-K581 HydrophobicContact CB-CG 4.41Å; E573-K581 PolarHBondContact O-N 3.19Å; K581-F691 HydrophobicContact CB-CD2 4.11Å; K581-F691 WeakPolarHBondContact CD-O 3.23Å; K581-F691 VanDerWaalsContact CE-O 3.32Å; K581-F691 WeakPolarHBondContact CE-O 3.37Å; K581-F691 WeakPolarHBondContact CG-O 3.21Å |
| 582 | G | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 165.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | H567 F568 F689 F691 | H567-G582 WeakPolarHBondContact NE2-CA 3.19Å; F568-G582 CarbonylContact O-C 3.52Å; F568-G582 WeakPolarHBondContact O-CA 3.2Å; G582-F689 CarbonylContact C-O 3.53Å; G582-F689 PolarHBondContact N-O 3.48Å; G582-F689 CarbonylContact O-C 3.55Å; G582-F689 PolarHBondContact O-N 3.25Å; G582-F691 WeakPolarHBondContact O-CB 3.37Å |
| 583 | Y | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 141.7 | 173.2 | -93.7 | -107.2 | 0 | 0 | 0 | 109.4 | I335 G462 I511 H567 F568 L686 R687 P688 F691 | I335-Y583 HydrophobicContact CB-CE2 4.45Å; I335-Y583 HydrophobicContact CD1-CE1 4.26Å; I335-Y583 HydrophobicContact CD1-CE2 4.08Å; I335-Y583 WeakPolarHBondContact CD1-OH 3.5Å; I335-Y583 HydrophobicContact CG1-CE2 3.78Å; I335-Y583 HydrophobicContact CG2-CD1 3.9Å; I335-Y583 HydrophobicContact CG2-CD2 3.94Å; I335-Y583 HydrophobicContact CG2-CE1 3.83Å; I335-Y583 HydrophobicContact CG2-CE2 3.86Å; I335-Y583 HydrophobicContact CG2-CG 3.96Å; G462-Y583 WeakPolarHBondContact O-CE1 3.47Å; G462-Y583 PolarHBondContact O-OH 3.07Å; I511-Y583 HydrophobicContact CD1-CD2 3.9Å; I511-Y583 HydrophobicContact CD1-CG 4.08Å; H567-Y583 PolarHBondContact CD2-O 3.34Å; F568-Y583 PolarHBondContact N-O 3.15Å; F568-Y583 PolarHBondContact O-N 3.11Å; Y583-L686 HydrophobicContact CD1-CB 4.08Å; Y583-R687 CarbonylContact C-O 3.48Å; Y583-R687 WeakPolarHBondContact CA-O 3.2Å; Y583-P688 HydrophobicContact CE1-CB 4.15Å; Y583-P688 HydrophobicContact CE1-CG 4.49Å; Y583-P688 HydrophobicContact CE2-CB 3.98Å; Y583-F691 HydrophobicContact CD2-CB 4.29Å; Y583-F691 AromaticContact CD2-CD2 3.66Å; Y583-F691 HydrophobicContact CD2-CD2 3.66Å; Y583-F691 HydrophobicContact CD2-CE2 4.18Å; Y583-F691 HydrophobicContact CD2-CG 4.06Å; Y583-F691 HydrophobicContact CE2-CB 4Å; Y583-F691 HydrophobicContact CE2-CD1 4.03Å; Y583-F691 AromaticContact CE2-CD2 3.51Å; Y583-F691 HydrophobicContact CE2-CD2 3.51Å; Y583-F691 HydrophobicContact CE2-CE1 4.38Å; Y583-F691 AromaticContact CE2-CE2 3.89Å; Y583-F691 HydrophobicContact CE2-CE2 3.89Å; Y583-F691 AromaticContact CE2-CG 3.57Å; Y583-F691 HydrophobicContact CE2-CG 3.57Å; Y583-F691 HydrophobicContact CE2-CZ 4.32Å |
| 584 | R | 98.1 | Very high | 97 | Very high | 35 Ų | 35 | 59.7 Ų | 59.7 | 13% | 0.132 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 142.6 | 173.8 | 75.8 | 177 | -157.6 | -167 | 10.3 | 111.3 | Y565 V566 L686 R687 | Y565-R584 PolarHBondContact OH-NH1 2.97Å; Y565-R584 VanDerWaalsContact OH-NH1 3.1Å; V566-R584 CarbonylContact O-C 3.56Å; V566-R584 WeakPolarHBondContact O-CA 3.09Å; V566-R584 VanDerWaalsContact O-CB 3.29Å; V566-R584 WeakPolarHBondContact O-CB 3.49Å; R584-L686 WeakPolarHBondContact O-CA 3.04Å; R584-R687 HydrophobicContact CG-CB 3.89Å; R584-R687 PolarHBondContact N-O 3.25Å; R584-R687 PolarHBondContact O-N 2.65Å |
| 585 | I | 98.8 | Very high | 96.7 | Very high | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 124.4 | 168.5 | -52.3 | -171.4 | 0 | 0 | 0 | 107.8 | L509 V566 F568 F587 L612 A657 V659 F684 F685 L686 | L509-I585 HydrophobicContact CD1-CD1 4.41Å; V566-I585 HydrophobicContact CG1-CB 4.06Å; V566-I585 HydrophobicContact CG1-CG1 4.45Å; V566-I585 PolarHBondContact O-N 3.22Å; F568-I585 HydrophobicContact CD2-CD1 4.3Å; F568-I585 HydrophobicContact CD2-CG1 4.29Å; F568-I585 HydrophobicContact CE2-CD1 3.66Å; F568-I585 HydrophobicContact CE2-CG1 4.06Å; F568-I585 HydrophobicContact CZ-CD1 4.42Å; I585-F587 HydrophobicContact CG2-CD2 4.23Å; I585-F587 HydrophobicContact CG2-CE2 3.74Å; I585-F587 HydrophobicContact CG2-CZ 4.35Å; I585-L612 HydrophobicContact CD1-CD1 4.15Å; I585-A657 HydrophobicContact CD1-CB 3.6Å; I585-V659 HydrophobicContact CD1-CG2 4.16Å; I585-V659 HydrophobicContact CG2-CG2 4.34Å; I585-F684 HydrophobicContact CG2-CB 4.2Å; I585-F684 HydrophobicContact CG2-CD2 4.08Å; I585-F684 HydrophobicContact CG2-CG 4.37Å; I585-F685 CarbonylContact C-O 3.45Å; I585-F685 WeakPolarHBondContact CA-O 3.25Å; I585-L686 HydrophobicContact CB-CD2 4.46Å; I585-L686 HydrophobicContact CD1-CD2 4.26Å; I585-L686 HydrophobicContact CG1-CD2 3.7Å |
| 586 | Q | 98.4 | Very high | 96.6 | Very high | 68 Ų | 68 | 58.8 Ų | 58.8 | 32% | 0.318 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 121.1 | 176 | 178.3 | -176.4 | -30.7 | 0 | 0 | 109.7 | F684 F685 R687 | Q586-F684 CarbonylContact O-C 3.59Å; Q586-F684 WeakPolarHBondContact O-CA 3.37Å; Q586-F684 WeakPolarHBondContact O-CB 3.44Å; Q586-F685 HydrophobicContact CB-CB 4.31Å; Q586-F685 PolarHBondContact N-O 3.2Å; Q586-F685 PolarHBondContact O-N 3.37Å; Q586-R687 VanDerWaalsContact OE1-CD 3.26Å |
| 587 | F | 94.6 | Very high | 96.3 | Very high | 46 Ų | 46 | 57.3 Ų | 57.3 | 20% | 0.202 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 146 | -174.4 | -75.5 | -107.3 | 0 | 0 | 0 | 112.6 | F562 I585 P611 L612 V659 V661 | F562-F587 AromaticContact CE1-CD2 3.49Å; F562-F587 HydrophobicContact CE1-CD2 3.49Å; F562-F587 VanDerWaalsContact CE1-CD2 3.49Å; F562-F587 AromaticContact CE1-CE2 3.64Å; F562-F587 HydrophobicContact CE1-CE2 3.64Å; F562-F587 HydrophobicContact CE1-CG 4.16Å; F562-F587 HydrophobicContact CE1-CZ 4.38Å; F562-F587 HydrophobicContact CE2-CE2 4.44Å; F562-F587 AromaticContact CZ-CD2 3.69Å; F562-F587 HydrophobicContact CZ-CD2 3.69Å; F562-F587 HydrophobicContact CZ-CE1 4.42Å; F562-F587 AromaticContact CZ-CE2 3.32Å; F562-F587 HydrophobicContact CZ-CE2 3.32Å; F562-F587 HydrophobicContact CZ-CG 4.43Å; F562-F587 AromaticContact CZ-CZ 3.74Å; F562-F587 HydrophobicContact CZ-CZ 3.74Å; I585-F587 HydrophobicContact CG2-CD2 4.23Å; I585-F587 HydrophobicContact CG2-CE2 3.74Å; I585-F587 HydrophobicContact CG2-CZ 4.35Å; F587-P611 HydrophobicContact CE1-CB 4.23Å; F587-P611 WeakPolarHBondContact CE1-O 3.28Å; F587-P611 VanDerWaalsContact CZ-O 3.3Å; F587-P611 WeakPolarHBondContact CZ-O 3.47Å; F587-L612 HydrophobicContact CE2-CB 4.45Å; F587-L612 HydrophobicContact CE2-CD1 4.4Å; F587-L612 HydrophobicContact CZ-CB 3.87Å; F587-L612 HydrophobicContact CZ-CD1 4Å; F587-L612 HydrophobicContact CZ-CG 4.47Å; F587-V659 HydrophobicContact CD1-CG1 4.41Å; F587-V659 HydrophobicContact CE1-CG1 3.58Å; F587-V659 HydrophobicContact CZ-CG1 3.77Å; F587-V659 HydrophobicContact CZ-CG2 4.48Å; F587-V661 HydrophobicContact CD1-CG1 4.36Å |
| 588 | N | 96.1 | Very high | 95.9 | Very high | 59 Ų | 59 | 52.4 Ų | 52.4 | 32% | 0.316 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 87.3 | 160.6 | 178.2 | 31.9 | 0 | 0 | 0 | 107.9 | A681 V682 G683 | N588-A681 PolarHBondContact ND2-O 3.3Å; N588-V682 CarbonylContact O-C 3.54Å; N588-V682 VanDerWaalsContact O-CA 3.3Å; N588-V682 WeakPolarHBondContact O-CA 3.12Å; N588-V682 WeakPolarHBondContact O-CB 3.3Å; N588-G683 CarbonylContact C-O 3.49Å; N588-G683 WeakPolarHBondContact CA-O 3.06Å; N588-G683 PolarHBondContact N-O 2.89Å; N588-G683 PolarHBondContact O-N 3.11Å; N588-G683 VanDerWaalsContact O-O 3.05Å |
| 589 | S | 96.9 | Very high | 95.7 | Very high | 36 Ų | 36 | 56.5 Ų | 56.5 | 25% | 0.252 | 29% | 0.292 | S | S | . | . | trans | -153.9 | 150.2 | -175.3 | 177.3 | 0 | 0 | 0 | 0 | 111.9 | A591 V661 G662 | S589-A591 WeakPolarHBondContact OG-CB 3.19Å; S589-A591 PolarHBondContact OG-N 3.15Å; S589-V661 WeakPolarHBondContact OG-CA 3.45Å; S589-G662 PolarHBondContact OG-N 2.83Å; S589-G662 VanDerWaalsContact OG-N 3.07Å; S589-G662 PolarHBondContact OG-O 3.32Å | ||
| 590 | H | 96.2 | Very high | 95.5 | Very high | 131 Ų | 131 | 58.2 Ų | 58.2 | 61% | 0.606 | 29% | 0.294 | S | S | * | . | trans | -115.8 | 23.7 | 172.1 | -53.3 | 98.5 | 0 | 0 | 0 | 111.1 | G662 F663 | H590-G662 CarbonylContact C-O 3.57Å; H590-G662 VanDerWaalsContact C-O 3.29Å; H590-G662 PolarHBondContact N-O 2.85Å; H590-F663 HydrophobicContact CB-CB 4.07Å | ||
| 591 | A | 95.1 | Very high | 95.4 | Very high | 14 Ų | 14 | 55.7 Ų | 55.7 | 12% | 0.116 | 28% | 0.283 | C | S | . | . | trans | -70.8 | 151.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112 | L502 F558 S589 G662 | L502-A591 HydrophobicContact CD2-CB 3.51Å; F558-A591 WeakPolarHBondContact CD1-O 3.16Å; F558-A591 HydrophobicContact CE1-CB 3.65Å; F558-A591 VanDerWaalsContact CE1-O 3.27Å; F558-A591 WeakPolarHBondContact CE1-O 3.45Å; F558-A591 HydrophobicContact CZ-CB 3.53Å; S589-A591 WeakPolarHBondContact OG-CB 3.19Å; S589-A591 PolarHBondContact OG-N 3.15Å; A591-G662 PolarHBondContact N-O 2.97Å | ||
| 592 | H | 95.1 | Very high | 95.3 | Very high | 109 Ų | 109 | 54.5 Ų | 54.5 | 51% | 0.505 | 28% | 0.277 | S | S | . | . | trans | -142.9 | 167.1 | 169 | -159.4 | -83.5 | 0 | 0 | 0 | 109.6 | V594 | H592-V594 PolarHBondContact O-N 3.15Š| ||
| 593 | S | 91.3 | Very high | 95.1 | Very high | 50 Ų | 50 | 56.7 Ų | 56.7 | 35% | 0.35 | 29% | 0.291 | S | S | . | . | trans | -56.6 | 132 | 171.2 | -166.3 | 0 | 0 | 0 | 0 | 110.2 | L595 | S593-L595 PolarHBondContact OG-O 2.89Š| ||
| 594 | V | 91.4 | Very high | 95 | Very high | 37 Ų | 37 | 56.7 Ų | 56.7 | 22% | 0.224 | 29% | 0.291 | C | S | . | . | trans | -97.2 | -42.9 | -176 | 65.8 | 0 | 0 | 0 | 0 | 113.4 | I345 F347 L502 H592 I605 | I345-V594 HydrophobicContact CD1-CG1 4.24Å; F347-V594 HydrophobicContact CB-CG2 3.59Å; F347-V594 HydrophobicContact CD2-CG1 3.97Å; F347-V594 HydrophobicContact CD2-CG2 3.96Å; F347-V594 HydrophobicContact CE2-CG1 4.4Å; F347-V594 HydrophobicContact CG-CG1 4.5Å; F347-V594 HydrophobicContact CG-CG2 4.11Å; L502-V594 HydrophobicContact CD1-CB 4.24Å; L502-V594 HydrophobicContact CD1-CG1 3.97Å; H592-V594 PolarHBondContact O-N 3.15Å; V594-I605 HydrophobicContact CG1-CD1 3.87Å | ||
| 595 | L | 93.6 | Very high | 95 | Very high | 28 Ų | 28 | 55 Ų | 55 | 15% | 0.147 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -115.9 | 154.8 | 175.7 | -70.5 | -176.2 | 0 | 0 | 0 | 111.4 | F347 S593 E601 E602 | F347-L595 HydrophobicContact CD2-CD1 4.05Å; F347-L595 HydrophobicContact CD2-CG 3.99Å; F347-L595 HydrophobicContact CE2-CD1 3.57Å; F347-L595 HydrophobicContact CE2-CG 3.98Å; S593-L595 PolarHBondContact OG-O 2.89Å; L595-E601 HydrophobicContact CD1-CB 4.35Å; L595-E602 HydrophobicContact CB-CB 3.75Å; L595-E602 HydrophobicContact CB-CG 3.69Å; L595-E602 HydrophobicContact CD1-CB 3.9Å |
| 596 | P | 94.5 | Very high | 94.9 | Very high | 88 Ų | 88 | 54.8 Ų | 54.8 | 57% | 0.571 | 28% | 0.284 | S | S | * | . | trans | -62 | 142.2 | 171.1 | -20 | 32.2 | 0 | 0 | 0 | 111.6 | G598 W599 | P596-G598 PolarHBondContact O-N 3.07Å; P596-W599 HydrophobicContact CB-CB 4.16Å; P596-W599 HydrophobicContact CG-CB 4.47Å; P596-W599 VanDerWaalsContact O-CB 3.25Å; P596-W599 WeakPolarHBondContact O-CB 3.27Å; P596-W599 PolarHBondContact O-N 3.29Å; P596-W599 VanDerWaalsContact O-N 3.11Å | ||
| 597 | K | 93.3 | Very high | 94.9 | Very high | 124 Ų | 124 | 51.6 Ų | 51.6 | 54% | 0.539 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 126.1 | 179.5 | -180 | 179 | -179.7 | 178.8 | 0 | 111.6 | W599 | K597-W599 PolarHBondContact O-N 3.15Š|
| 598 | G | 90.5 | Very high | 95 | Very high | 50 Ų | 50 | 49.4 Ų | 49.4 | 52% | 0.515 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79 | 4.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | P596 R600 E602 | P596-G598 PolarHBondContact O-N 3.07Å; G598-R600 PolarHBondContact O-N 2.99Å; G598-E602 PolarHBondContact N-OE2 3.05Å |
| 599 | W | 94 | Very high | 95.1 | Very high | 130 Ų | 130 | 47.7 Ų | 47.7 | 49% | 0.492 | 25% | 0.248 | S | C | . | . | trans | -75 | 110.1 | 174.6 | 178 | -97.1 | 0 | 0 | 0 | 110.3 | P596 K597 E601 E602 | P596-W599 HydrophobicContact CB-CB 4.16Å; P596-W599 HydrophobicContact CG-CB 4.47Å; P596-W599 VanDerWaalsContact O-CB 3.25Å; P596-W599 WeakPolarHBondContact O-CB 3.27Å; P596-W599 PolarHBondContact O-N 3.29Å; P596-W599 VanDerWaalsContact O-N 3.11Å; K597-W599 PolarHBondContact O-N 3.15Å; W599-E601 PolarHBondContact NE1-OE2 3.4Å; W599-E601 PolarHBondContact O-N 2.82Å; W599-E602 WeakPolarHBondContact O-CA 3.4Å; W599-E602 WeakPolarHBondContact O-CB 3.33Å; W599-E602 PolarHBondContact O-N 3.19Å | ||
| 600 | R | 93.9 | Very high | 95.1 | Very high | 126 Ų | 126 | 46.1 Ų | 46.1 | 48% | 0.475 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | 36.2 | -102 | 165.2 | -62.9 | -172.7 | -177.6 | -155 | 1.2 | 114.1 | G598 E602 V603 | G598-R600 PolarHBondContact O-N 2.99Å; R600-E602 VanDerWaalsContact C-N 3.25Å; R600-E602 PolarHBondContact O-N 2.79Å; R600-V603 WeakPolarHBondContact O-CG2 3.32Å; R600-V603 PolarHBondContact O-N 2.78Å |
| 601 | E | 95.4 | Very high | 95.2 | Very high | 8 Ų | 8 | 40.3 Ų | 40.3 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -67.5 | -21.7 | -174.8 | -53.6 | 72.9 | -153.9 | 0 | 0 | 113.4 | P188 K359 L595 W599 V603 G604 P633 W634 | P188-E601 HydrophobicContact CG-CG 4.2Å; K359-E601 HydrophobicContact CD-CB 4.25Å; K359-E601 HydrophobicContact CD-CG 4.01Å; L595-E601 HydrophobicContact CD1-CB 4.35Å; W599-E601 PolarHBondContact NE1-OE2 3.4Å; W599-E601 PolarHBondContact O-N 2.82Å; E601-V603 PolarHBondContact O-N 3.07Å; E601-V603 VanDerWaalsContact O-N 3.15Å; E601-G604 PolarHBondContact O-N 2.79Å; E601-G604 VanDerWaalsContact O-N 3.13Å; E601-P633 HydrophobicContact CB-CB 4.12Å; E601-P633 HydrophobicContact CB-CG 3.97Å; E601-P633 HydrophobicContact CG-CG 3.97Å; E601-W634 HydrophobicContact CG-CZ2 4.23Å; E601-W634 PolarHBondContact OE1-NE1 3.07Å |
| 602 | E | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -61.7 | -23.1 | 179.1 | -167.4 | -85.5 | 157.7 | 0 | 0 | 112.4 | L595 G598 W599 R600 G604 I605 S606 R609 | L595-E602 HydrophobicContact CB-CB 3.75Å; L595-E602 HydrophobicContact CB-CG 3.69Å; L595-E602 HydrophobicContact CD1-CB 3.9Å; G598-E602 PolarHBondContact N-OE2 3.05Å; W599-E602 WeakPolarHBondContact O-CA 3.4Å; W599-E602 WeakPolarHBondContact O-CB 3.33Å; W599-E602 PolarHBondContact O-N 3.19Å; R600-E602 VanDerWaalsContact C-N 3.25Å; R600-E602 PolarHBondContact O-N 2.79Å; E602-G604 VanDerWaalsContact C-N 3.27Å; E602-G604 PolarHBondContact O-N 3.22Å; E602-I605 CarbonylContact O-C 3.51Å; E602-I605 PolarHBondContact O-N 2.92Å; E602-I605 VanDerWaalsContact O-N 3.1Å; E602-S606 PolarHBondContact O-N 2.98Å; E602-S606 VanDerWaalsContact O-N 3.15Å; E602-R609 WeakPolarHBondContact OE1-CG 3.26Å; E602-R609 IonicContact OE1-CZ 2.58Å; E602-R609 IonicContact OE1-NE 3.16Å; E602-R609 PolarHBondContact OE1-NE 2.75Å; E602-R609 IonicContact OE1-NH2 2.88Å; E602-R609 PolarHBondContact OE1-NH2 2.98Å; E602-R609 IonicContact OE2-CZ 3.4Å; E602-R609 IonicContact OE2-NE 2.66Å; E602-R609 PolarHBondContact OE2-NE 2.61Å; E602-R609 IonicContact OE2-NH2 2.79Å; E602-R609 PolarHBondContact OE2-NH2 3.14Å |
| 603 | V | 95.3 | Very high | 95.6 | Very high | 46 Ų | 46 | 34.5 Ų | 34.5 | 28% | 0.279 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -58.6 | -40.8 | 175.6 | -179.4 | 0 | 0 | 0 | 0 | 111.1 | R600 E601 I605 P636 | R600-V603 WeakPolarHBondContact O-CG2 3.32Å; R600-V603 PolarHBondContact O-N 2.78Å; E601-V603 PolarHBondContact O-N 3.07Å; E601-V603 VanDerWaalsContact O-N 3.15Å; V603-I605 VanDerWaalsContact C-N 3.25Å; V603-I605 PolarHBondContact O-N 3.02Å; V603-P636 HydrophobicContact CG1-CG 4.04Å |
| 604 | G | 96.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -65.9 | -22.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | E601 E602 T629 P633 | E601-G604 PolarHBondContact O-N 2.79Å; E601-G604 VanDerWaalsContact O-N 3.13Å; E602-G604 VanDerWaalsContact C-N 3.27Å; E602-G604 PolarHBondContact O-N 3.22Å; G604-T629 WeakPolarHBondContact O-CG2 3.49Å; G604-P633 WeakPolarHBondContact CA-O 3.32Å; G604-P633 PolarHBondContact N-O 3.29Å |
| 605 | I | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -122.4 | 34.5 | -178.2 | 60.3 | 154.2 | 0 | 0 | 0 | 112.2 | I345 F347 I361 V594 E602 V603 W607 S608 | I345-I605 HydrophobicContact CD1-CD1 3.92Å; I345-I605 HydrophobicContact CG2-CG2 4.23Å; F347-I605 HydrophobicContact CD2-CD1 4.21Å; F347-I605 HydrophobicContact CE1-CD1 4.34Å; F347-I605 HydrophobicContact CE2-CD1 3.33Å; F347-I605 HydrophobicContact CE2-CG1 4.31Å; F347-I605 HydrophobicContact CZ-CD1 3.42Å; F347-I605 VanDerWaalsContact CZ-CD1 3.42Å; F347-I605 HydrophobicContact CZ-CG1 4.14Å; F347-I605 HydrophobicContact CZ-CG2 4.14Å; I361-I605 HydrophobicContact CD1-CG2 3.76Å; I361-I605 HydrophobicContact CG1-CG2 4.18Å; V594-I605 HydrophobicContact CG1-CD1 3.87Å; E602-I605 CarbonylContact O-C 3.51Å; E602-I605 PolarHBondContact O-N 2.92Å; E602-I605 VanDerWaalsContact O-N 3.1Å; V603-I605 VanDerWaalsContact C-N 3.25Å; V603-I605 PolarHBondContact O-N 3.02Å; I605-W607 HydrophobicContact CB-CZ2 4.15Å; I605-W607 HydrophobicContact CG2-CZ2 4.05Å; I605-W607 PolarHBondContact O-N 3.03Å; I605-S608 WeakPolarHBondContact O-CB 3.21Å; I605-S608 PolarHBondContact O-N 2.89Å; I605-S608 PolarHBondContact O-OG 2.8Å |
| 606 | S | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -59 | -14.9 | -175.9 | 55.2 | 0 | 0 | 0 | 0 | 115.1 | E602 S608 R609 Y610 F640 E641 | E602-S606 PolarHBondContact O-N 2.98Å; E602-S606 VanDerWaalsContact O-N 3.15Å; S606-S608 VanDerWaalsContact C-N 3.3Å; S606-R609 WeakPolarHBondContact O-CD 3.25Å; S606-R609 WeakPolarHBondContact O-CG 3.39Å; S606-Y610 WeakPolarHBondContact O-CE2 3.45Å; S606-F640 PolarHBondContact OG-N 2.81Å; S606-E641 PolarHBondContact OG-N 3.01Å |
| 607 | W | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -64.5 | -30.1 | 168.4 | 53.3 | -98.9 | 0 | 0 | 0 | 113.3 | E343 I345 L502 H504 I605 R609 Y610 F640 T660 | E343-W607 HydrophobicContact CB-CH2 4.45Å; E343-W607 HydrophobicContact CB-CZ2 3.84Å; E343-W607 HydrophobicContact CG-CH2 4.28Å; E343-W607 HydrophobicContact CG-CZ2 3.51Å; I345-W607 HydrophobicContact CB-CH2 4.45Å; I345-W607 HydrophobicContact CD1-CH2 3.91Å; I345-W607 HydrophobicContact CD1-CZ2 4.43Å; I345-W607 HydrophobicContact CG1-CH2 4.04Å; I345-W607 HydrophobicContact CG2-CH2 3.66Å; I345-W607 HydrophobicContact CG2-CZ2 3.55Å; L502-W607 HydrophobicContact CB-CH2 4.14Å; L502-W607 HydrophobicContact CB-CZ3 3.92Å; H504-W607 HydrophobicContact CB-CD2 3.85Å; H504-W607 HydrophobicContact CB-CE3 3.55Å; H504-W607 HydrophobicContact CB-CG 4.47Å; H504-W607 HydrophobicContact CB-CH2 4.32Å; H504-W607 HydrophobicContact CB-CZ3 3.81Å; H504-W607 AromaticContact CD2-CE3 3.82Å; H504-W607 AromaticContact CG-CD2 3.84Å; H504-W607 AromaticContact CG-CE3 3.69Å; H504-W607 AromaticContact ND1-CG 3.89Å; I605-W607 HydrophobicContact CB-CZ2 4.15Å; I605-W607 HydrophobicContact CG2-CZ2 4.05Å; I605-W607 PolarHBondContact O-N 3.03Å; W607-R609 PolarHBondContact O-N 3.03Å; W607-Y610 PolarHBondContact O-N 2.95Å; W607-F640 HydrophobicContact CB-CB 3.85Å; W607-F640 HydrophobicContact CB-CD1 3.6Å; W607-F640 HydrophobicContact CB-CD2 4.37Å; W607-F640 HydrophobicContact CB-CE1 4.22Å; W607-F640 HydrophobicContact CB-CG 3.66Å; W607-T660 HydrophobicContact CE3-CG2 4.18Å; W607-T660 HydrophobicContact CZ3-CG2 3.98Å; W607-T660 PolarHBondContact O-OG1 3.33Å |
| 608 | S | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -63 | -12.2 | -179.9 | 68.7 | 0 | 0 | 0 | 0 | 114.2 | F558 I605 S606 Y610 | F558-S608 VanDerWaalsContact CD2-O 3.23Å; F558-S608 WeakPolarHBondContact CD2-O 3.46Å; F558-S608 VanDerWaalsContact CE2-O 3.23Å; F558-S608 WeakPolarHBondContact CE2-O 3.4Å; I605-S608 WeakPolarHBondContact O-CB 3.21Å; I605-S608 PolarHBondContact O-N 2.89Å; I605-S608 PolarHBondContact O-OG 2.8Å; S606-S608 VanDerWaalsContact C-N 3.3Å; S608-Y610 PolarHBondContact O-N 2.92Å |
| 609 | R | 96.8 | Very high | 97.1 | Very high | 24 Ų | 24 | 30.7 Ų | 30.7 | 9% | 0.091 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -70.2 | -23.5 | 174 | -58.6 | 171.6 | -177.3 | 163.9 | 7.2 | 112.5 | R557 F558 E602 S606 W607 E641 | R557-R609 VanDerWaalsContact CA-O 3.31Å; R557-R609 WeakPolarHBondContact CA-O 3.42Å; F558-R609 PolarHBondContact N-O 3.39Å; F558-R609 VanDerWaalsContact N-O 3.07Å; E602-R609 WeakPolarHBondContact OE1-CG 3.26Å; E602-R609 IonicContact OE1-CZ 2.58Å; E602-R609 IonicContact OE1-NE 3.16Å; E602-R609 PolarHBondContact OE1-NE 2.75Å; E602-R609 IonicContact OE1-NH2 2.88Å; E602-R609 PolarHBondContact OE1-NH2 2.98Å; E602-R609 IonicContact OE2-CZ 3.4Å; E602-R609 IonicContact OE2-NE 2.66Å; E602-R609 PolarHBondContact OE2-NE 2.61Å; E602-R609 IonicContact OE2-NH2 2.79Å; E602-R609 PolarHBondContact OE2-NH2 3.14Å; S606-R609 WeakPolarHBondContact O-CD 3.25Å; S606-R609 WeakPolarHBondContact O-CG 3.39Å; W607-R609 PolarHBondContact O-N 3.03Å; R609-E641 IonicContact CZ-OE2 3.51Å; R609-E641 IonicContact NH1-OE1 3.82Å; R609-E641 IonicContact NH1-OE2 2.73Å; R609-E641 PolarHBondContact NH1-OE2 3.33Å |
| 610 | Y | 98.1 | Very high | 97 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.008 | 14% | 0.138 | C | C | . | . | trans | -121.7 | 112.7 | -162 | -54.8 | -76.8 | 0 | 0 | 0 | 111.1 | A555 F556 R557 S606 W607 S608 L612 A613 F640 E641 I644 T660 | A555-Y610 HydrophobicContact CB-CD1 4.08Å; A555-Y610 HydrophobicContact CB-CE1 3.92Å; F556-Y610 VanDerWaalsContact O-CA 3.23Å; F556-Y610 WeakPolarHBondContact O-CA 3.19Å; F556-Y610 WeakPolarHBondContact O-CB 3.29Å; F556-Y610 WeakPolarHBondContact O-CD1 3.41Å; R557-Y610 HydrophobicContact CG-CD1 3.69Å; R557-Y610 HydrophobicContact CG-CE1 3.45Å; R557-Y610 VanDerWaalsContact CG-CE1 3.45Å; R557-Y610 PolarHBondContact NH2-OH 2.85Å; S606-Y610 WeakPolarHBondContact O-CE2 3.45Å; W607-Y610 PolarHBondContact O-N 2.95Å; S608-Y610 PolarHBondContact O-N 2.92Å; Y610-L612 PolarHBondContact O-N 3.09Å; Y610-A613 HydrophobicContact CG-CB 4.4Å; Y610-F640 HydrophobicContact CD2-CD1 4.19Å; Y610-F640 AromaticContact CD2-CE1 3.91Å; Y610-F640 HydrophobicContact CD2-CE1 3.91Å; Y610-F640 HydrophobicContact CE2-CD1 4.47Å; Y610-F640 HydrophobicContact CE2-CE1 4.42Å; Y610-E641 WeakPolarHBondContact CE2-OE2 3.46Å; Y610-E641 PolarHBondContact OH-OE1 2.66Å; Y610-E641 PolarHBondContact OH-OE2 3.25Å; Y610-I644 HydrophobicContact CD2-CD1 4.06Å; Y610-I644 HydrophobicContact CE1-CD1 4.36Å; Y610-I644 HydrophobicContact CE2-CD1 3.73Å; Y610-T660 WeakPolarHBondContact O-CB 3.4Å; Y610-T660 PolarHBondContact O-OG1 3.42Å | ||
| 611 | P | 98.2 | Very high | 97.1 | Very high | 10 Ų | 10 | 23.5 Ų | 23.5 | 7% | 0.065 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -56.2 | -37.5 | 163.1 | 20.9 | -34.4 | 0 | 0 | 0 | 111.4 | F556 F558 F562 F587 T660 | F556-P611 HydrophobicContact CB-CG 4.41Å; F556-P611 WeakPolarHBondContact O-CD 3.44Å; F558-P611 HydrophobicContact CD1-CB 4.26Å; F558-P611 HydrophobicContact CD1-CG 4.13Å; F558-P611 HydrophobicContact CE1-CB 3.67Å; F558-P611 HydrophobicContact CE1-CG 4.05Å; F558-P611 HydrophobicContact CZ-CB 3.84Å; F558-P611 HydrophobicContact CZ-CG 4.37Å; F562-P611 HydrophobicContact CD2-CB 4.23Å; F562-P611 HydrophobicContact CD2-CG 3.79Å; F562-P611 HydrophobicContact CE2-CB 3.99Å; F562-P611 HydrophobicContact CE2-CG 3.84Å; F587-P611 HydrophobicContact CE1-CB 4.23Å; F587-P611 WeakPolarHBondContact CE1-O 3.28Å; F587-P611 VanDerWaalsContact CZ-O 3.3Å; F587-P611 WeakPolarHBondContact CZ-O 3.47Å; P611-T660 PolarHBondContact O-N 3.15Å |
| 612 | L | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 132.9 | 176 | -173.5 | 79.8 | 0 | 0 | 0 | 110.7 | F518 F556 F562 V566 I585 F587 Y610 V614 A657 W658 V659 | F518-L612 HydrophobicContact CZ-CD2 4.15Å; F556-L612 HydrophobicContact CD2-CB 4.1Å; F556-L612 HydrophobicContact CD2-CD2 3.91Å; F556-L612 HydrophobicContact CD2-CG 4.41Å; F556-L612 HydrophobicContact CE2-CD2 3.97Å; F556-L612 PolarHBondContact N-O 3.36Å; F562-L612 HydrophobicContact CE2-CB 3.87Å; F562-L612 HydrophobicContact CZ-CB 4.01Å; F562-L612 HydrophobicContact CZ-CD2 4.46Å; V566-L612 HydrophobicContact CB-CD2 4.3Å; V566-L612 HydrophobicContact CG1-CD2 3.23Å; V566-L612 HydrophobicContact CG2-CD2 4.07Å; I585-L612 HydrophobicContact CD1-CD1 4.15Å; F587-L612 HydrophobicContact CE2-CB 4.45Å; F587-L612 HydrophobicContact CE2-CD1 4.4Å; F587-L612 HydrophobicContact CZ-CB 3.87Å; F587-L612 HydrophobicContact CZ-CD1 4Å; F587-L612 HydrophobicContact CZ-CG 4.47Å; Y610-L612 PolarHBondContact O-N 3.09Å; L612-V614 HydrophobicContact CD2-CG2 4.43Å; L612-A657 HydrophobicContact CD1-CB 4.17Å; L612-W658 VanDerWaalsContact CA-O 3.3Å; L612-W658 WeakPolarHBondContact CA-O 3.47Å; L612-V659 HydrophobicContact CD1-CG2 3.76Å |
| 613 | A | 98.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.008 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 149.7 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | A554 A555 Y610 F640 I644 W658 | A554-A613 WeakPolarHBondContact O-CA 3.47Å; A555-A613 HydrophobicContact CB-CB 4.2Å; Y610-A613 HydrophobicContact CG-CB 4.4Å; A613-F640 HydrophobicContact CB-CE1 4.06Å; A613-F640 HydrophobicContact CB-CZ 3.94Å; A613-I644 HydrophobicContact CB-CD1 3.72Å; A613-I644 HydrophobicContact CB-CG1 4.39Å; A613-W658 PolarHBondContact N-O 2.77Å; A613-W658 PolarHBondContact O-N 2.99Å |
| 614 | V | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 122.9 | 175.8 | -173 | 0 | 0 | 0 | 0 | 108.8 | F518 E551 A554 F568 L612 I650 L655 V656 | F518-V614 HydrophobicContact CD1-CG2 4.02Å; F518-V614 HydrophobicContact CD2-CG2 4.3Å; F518-V614 HydrophobicContact CE1-CG2 4.18Å; F518-V614 HydrophobicContact CE2-CG2 4.43Å; F518-V614 HydrophobicContact CG-CG2 4.12Å; F518-V614 HydrophobicContact CZ-CG2 4.39Å; E551-V614 WeakPolarHBondContact CA-O 3.2Å; A554-V614 HydrophobicContact CB-CB 3.73Å; A554-V614 HydrophobicContact CB-CG2 3.93Å; A554-V614 PolarHBondContact O-N 2.78Å; F568-V614 HydrophobicContact CE1-CG1 3.7Å; F568-V614 HydrophobicContact CE1-CG2 4.09Å; F568-V614 HydrophobicContact CZ-CB 4.47Å; F568-V614 HydrophobicContact CZ-CG1 4.07Å; F568-V614 HydrophobicContact CZ-CG2 3.58Å; L612-V614 HydrophobicContact CD2-CG2 4.43Å; V614-I650 HydrophobicContact CG1-CD1 4.39Å; V614-L655 HydrophobicContact CG1-CB 4.25Å; V614-L655 HydrophobicContact CG1-CD1 4.19Å; V614-V656 WeakPolarHBondContact CA-O 3.48Å |
| 615 | T | 98.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 161.2 | 178.2 | 72.2 | 0 | 0 | 0 | 0 | 110.4 | E551 I644 V656 W658 | E551-T615 WeakPolarHBondContact OE1-CA 3.46Å; T615-I644 HydrophobicContact CG2-CG1 4.15Å; T615-V656 PolarHBondContact N-O 2.95Å; T615-V656 PolarHBondContact O-N 2.94Å; T615-W658 PolarHBondContact OG1-NE1 3.26Å |
| 616 | R | 98.6 | Very high | 97.4 | Very high | 90 Ų | 90 | 23.8 Ų | 23.8 | 34% | 0.34 | 12% | 0.124 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 137.7 | 167 | -172.7 | 179.5 | -173.7 | -171.3 | 6.8 | 109.5 | E551 R618 E648 Q653 D654 | E551-R616 PolarHBondContact OE1-N 2.77Å; R616-R618 PolarHBondContact O-N 2.74Å; R616-E648 IonicContact NH1-OE1 3.65Å; R616-E648 PolarHBondContact NH1-OE1 2.83Å; R616-Q653 HydrophobicContact CG-CB 4.38Å; R616-Q653 VanDerWaalsContact CZ-OE1 3.29Å; R616-D654 WeakPolarHBondContact CA-O 3.4Å |
| 617 | H | 98.4 | Very high | 97.4 | Very high | 32 Ų | 32 | 23.9 Ų | 23.9 | 15% | 0.148 | 12% | 0.124 | C | C | . | . | trans | -60.1 | 131.7 | 176.4 | 175.2 | -81.7 | 0 | 0 | 0 | 111.7 | D508 D619 D654 V656 | D508-H617 IonicContact OD2-CD2 3.83Å; H617-D619 IonicContact CE1-OD1 3.82Å; H617-D619 PolarHBondContact CE1-OD1 2.83Å; H617-D654 HydrophobicContact CB-CB 3.93Å; H617-D654 VanDerWaalsContact CB-CG 3.43Å; H617-D654 VanDerWaalsContact CB-OD1 3.27Å; H617-D654 WeakPolarHBondContact CB-OD1 3.44Å; H617-D654 IonicContact CG-OD1 2.67Å; H617-D654 IonicContact CG-OD2 3.88Å; H617-D654 PolarHBondContact N-O 2.77Å; H617-D654 IonicContact ND1-OD2 2.86Å; H617-V656 HydrophobicContact CB-CG2 3.85Å | ||
| 618 | R | 96.7 | Very high | 97.4 | Very high | 104 Ų | 104 | 24.1 Ų | 24.1 | 39% | 0.392 | 13% | 0.125 | S | C | . | . | trans | -138.9 | 133.1 | 169.5 | -69.3 | -178.4 | 170.1 | -97.7 | -2.7 | 110.2 | R616 S620 E621 E648 | R616-R618 PolarHBondContact O-N 2.74Å; R618-S620 PolarHBondContact O-N 2.81Å; R618-S620 VanDerWaalsContact O-N 3.11Å; R618-E621 HydrophobicContact CB-CB 4.13Å; R618-E621 HydrophobicContact CB-CG 3.98Å; R618-E621 PolarHBondContact O-N 2.87Å; R618-E648 IonicContact CZ-OE1 3.82Å; R618-E648 IonicContact CZ-OE2 3.41Å; R618-E648 IonicContact NE-OE1 3.55Å; R618-E648 IonicContact NE-OE2 3.24Å; R618-E648 PolarHBondContact NE-OE2 3.16Å; R618-E648 IonicContact NH2-OE1 3.38Å; R618-E648 PolarHBondContact NH2-OE1 3.17Å; R618-E648 IonicContact NH2-OE2 2.77Å; R618-E648 PolarHBondContact NH2-OE2 3.06Å | ||
| 619 | D | 94.6 | Very high | 97.4 | Very high | 70 Ų | 70 | 24.1 Ų | 24.1 | 37% | 0.374 | 13% | 0.125 | S | C | . | . | G | 310 helix | trans | -59.3 | -25.7 | 175.8 | -69.1 | -39.8 | 0 | 0 | 0 | 112.1 | K77 H78 H617 E621 | K77-D619 PolarHBondContact N-OD1 2.98Å; H78-D619 IonicContact ND1-OD2 3.72Å; H617-D619 IonicContact CE1-OD1 3.82Å; H617-D619 PolarHBondContact CE1-OD1 2.83Å; D619-E621 VanDerWaalsContact C-N 3.32Å |
| 620 | S | 93.1 | Very high | 97.5 | Very high | 96 Ų | 96 | 23 Ų | 23 | 67% | 0.671 | 12% | 0.121 | S | C | * | . | G | 310 helix | trans | -78.8 | -10.1 | 176.3 | 58.5 | 0 | 0 | 0 | 0 | 114.6 | R618 | R618-S620 PolarHBondContact O-N 2.81Å; R618-S620 VanDerWaalsContact O-N 3.11Å |
| 621 | E | 96.3 | Very high | 97.5 | Very high | 8 Ų | 8 | 23.1 Ų | 23.1 | 4% | 0.037 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -114.9 | 41.2 | -176.9 | -60.2 | -178.6 | 170.9 | 0 | 0 | 109.5 | R618 D619 T623 Y643 | R618-E621 HydrophobicContact CB-CB 4.13Å; R618-E621 HydrophobicContact CB-CG 3.98Å; R618-E621 PolarHBondContact O-N 2.87Å; D619-E621 VanDerWaalsContact C-N 3.32Å; E621-T623 VanDerWaalsContact C-N 3.3Å; E621-T623 PolarHBondContact O-N 3.48Å; E621-Y643 HydrophobicContact CB-CD1 4.11Å; E621-Y643 HydrophobicContact CB-CD2 4.13Å; E621-Y643 HydrophobicContact CB-CE1 3.85Å; E621-Y643 HydrophobicContact CB-CE2 3.83Å; E621-Y643 HydrophobicContact CB-CG 4.26Å; E621-Y643 VanDerWaalsContact CD-CD1 3.43Å; E621-Y643 HydrophobicContact CG-CD1 3.65Å; E621-Y643 HydrophobicContact CG-CE1 3.55Å; E621-Y643 HydrophobicContact CG-CE2 4.42Å; E621-Y643 HydrophobicContact CG-CG 4.18Å |
| 622 | A | 94.8 | Very high | 97.4 | Very high | 34 Ų | 34 | 22.9 Ų | 22.9 | 28% | 0.281 | 12% | 0.12 | S | C | . | . | trans | -67 | -28.5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 623 | T | 97.5 | Very high | 97.4 | Very high | 17 Ų | 17 | 23 Ų | 23 | 10% | 0.104 | 12% | 0.12 | C | C | . | . | trans | -137.4 | 149 | -175.7 | 60 | 0 | 0 | 0 | 0 | 111.5 | E621 S625 V638 Y643 | E621-T623 VanDerWaalsContact C-N 3.3Å; E621-T623 PolarHBondContact O-N 3.48Å; T623-S625 PolarHBondContact OG1-O 3.49Å; T623-S625 VanDerWaalsContact OG1-O 3.08Å; T623-V638 WeakPolarHBondContact O-CG1 3.23Å; T623-Y643 PolarHBondContact O-OH 3.36Å | ||
| 624 | S | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -91.6 | -8.9 | 176.6 | 67.3 | 0 | 0 | 0 | 0 | 114.7 | Q342 H504 | Q342-S624 VanDerWaalsContact CB-OG 3.25Å; Q342-S624 WeakPolarHBondContact CB-OG 3.41Å; H504-S624 PolarHBondContact CE1-OG 2.96Å; H504-S624 WeakPolarHBondContact ND1-CB 3.12Å; H504-S624 PolarHBondContact ND1-OG 2.88Å |
| 625 | S | 97.8 | Very high | 97 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 2% | 0.021 | 15% | 0.149 | C | C | . | . | trans | -142.7 | 177.6 | 178.9 | -165.2 | 0 | 0 | 0 | 0 | 110.8 | E343 T623 | E343-S625 WeakPolarHBondContact OE2-CB 3.12Å; E343-S625 PolarHBondContact OE2-OG 2.8Å; T623-S625 PolarHBondContact OG1-O 3.49Å; T623-S625 VanDerWaalsContact OG1-O 3.08Å | ||
| 626 | T | 97.3 | Very high | 96.8 | Very high | 8 Ų | 8 | 30.4 Ų | 30.4 | 5% | 0.049 | 16% | 0.156 | C | C | . | . | trans | -146 | 161.7 | 176.6 | 72.4 | 0 | 0 | 0 | 0 | 110.9 | F128 F628 T629 A637 V638 | F128-T626 HydrophobicContact CE1-CG2 4.01Å; F128-T626 HydrophobicContact CZ-CG2 4.46Å; T626-F628 PolarHBondContact O-N 3.19Å; T626-F628 VanDerWaalsContact O-N 3.11Å; T626-F628 PolarHBondContact OG1-N 3.3Å; T626-T629 PolarHBondContact N-OG1 3.45Å; T626-T629 WeakPolarHBondContact O-CB 3.41Å; T626-T629 PolarHBondContact O-N 3.12Å; T626-T629 PolarHBondContact O-OG1 3.21Å; T626-T629 PolarHBondContact OG1-N 3.24Å; T626-T629 PolarHBondContact OG1-OG1 3.23Å; T626-T629 VanDerWaalsContact OG1-OG1 3.06Å; T626-A637 HydrophobicContact CG2-CB 4.31Å; T626-V638 HydrophobicContact CG2-CB 3.83Å; T626-V638 HydrophobicContact CG2-CG2 3.39Å | ||
| 627 | I | 97.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -11.2 | 173.3 | 75.6 | 176.7 | 0 | 0 | 0 | 113.5 | L68 L69 I98 P140 A363 G364 | L68-I627 HydrophobicContact CD2-CD1 4.21Å; L69-I627 HydrophobicContact CD2-CD1 4.47Å; I98-I627 HydrophobicContact CD1-CD1 3.29Å; I98-I627 HydrophobicContact CD1-CG1 4.24Å; P140-I627 HydrophobicContact CG-CB 4.27Å; P140-I627 HydrophobicContact CG-CD1 3.94Å; P140-I627 HydrophobicContact CG-CG1 4.12Å; A363-I627 WeakPolarHBondContact O-CA 3.47Å; A363-I627 WeakPolarHBondContact O-CB 3.42Å; A363-I627 WeakPolarHBondContact O-CG2 3.28Å; G364-I627 WeakPolarHBondContact CA-O 3.43Å |
| 628 | F | 97.9 | Very high | 96.4 | Very high | 5 Ų | 5 | 26.7 Ų | 26.7 | 2% | 0.022 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -21 | -179 | -48.9 | -51.4 | 0 | 0 | 0 | 112 | I98 I109 E111 F128 V134 S138 T626 Q630 N631 D632 A637 | I98-F628 HydrophobicContact CD1-CZ 4.14Å; I98-F628 HydrophobicContact CG2-CE1 4.33Å; I98-F628 HydrophobicContact CG2-CZ 4.19Å; I109-F628 HydrophobicContact CD1-CD1 4.21Å; I109-F628 HydrophobicContact CD1-CE1 3.47Å; I109-F628 VanDerWaalsContact CD1-CE1 3.47Å; I109-F628 HydrophobicContact CD1-CZ 4.25Å; I109-F628 HydrophobicContact CG1-CE1 4.12Å; I109-F628 HydrophobicContact CG1-CZ 4.47Å; I109-F628 HydrophobicContact CG2-CE1 4.41Å; E111-F628 HydrophobicContact CG-CE2 4.47Å; E111-F628 HydrophobicContact CG-CZ 4.33Å; E111-F628 VanDerWaalsContact OE1-CE2 3.24Å; E111-F628 WeakPolarHBondContact OE1-CE2 3.37Å; F128-F628 HydrophobicContact CE2-CE2 4.11Å; F128-F628 HydrophobicContact CZ-CD2 4.25Å; F128-F628 AromaticContact CZ-CE2 3.89Å; F128-F628 HydrophobicContact CZ-CE2 3.89Å; V134-F628 HydrophobicContact CG1-CB 4.08Å; V134-F628 HydrophobicContact CG1-CD1 3.97Å; V134-F628 HydrophobicContact CG1-CD2 3.75Å; V134-F628 HydrophobicContact CG1-CE1 4.39Å; V134-F628 HydrophobicContact CG1-CE2 4.14Å; V134-F628 HydrophobicContact CG1-CG 3.64Å; V134-F628 HydrophobicContact CG1-CZ 4.46Å; V134-F628 HydrophobicContact CG2-CD2 4.07Å; V134-F628 HydrophobicContact CG2-CE2 4.07Å; S138-F628 WeakPolarHBondContact O-CA 3.33Å; T626-F628 PolarHBondContact O-N 3.19Å; T626-F628 VanDerWaalsContact O-N 3.11Å; T626-F628 PolarHBondContact OG1-N 3.3Å; F628-Q630 VanDerWaalsContact C-N 3.29Å; F628-Q630 PolarHBondContact O-N 3.24Å; F628-N631 PolarHBondContact O-N 2.91Å; F628-D632 PolarHBondContact O-N 2.88Å; F628-A637 HydrophobicContact CD2-CB 4.3Å |
| 629 | T | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -32.6 | -171.8 | -52.7 | 0 | 0 | 0 | 0 | 112.6 | I361 G604 T626 N631 D632 P633 P636 | I361-T629 HydrophobicContact CD1-CG2 3.99Å; I361-T629 HydrophobicContact CG2-CG2 4.37Å; G604-T629 WeakPolarHBondContact O-CG2 3.49Å; T626-T629 PolarHBondContact N-OG1 3.45Å; T626-T629 WeakPolarHBondContact O-CB 3.41Å; T626-T629 PolarHBondContact O-N 3.12Å; T626-T629 PolarHBondContact O-OG1 3.21Å; T626-T629 PolarHBondContact OG1-N 3.24Å; T626-T629 PolarHBondContact OG1-OG1 3.23Å; T626-T629 VanDerWaalsContact OG1-OG1 3.06Å; T629-N631 VanDerWaalsContact C-N 3.34Å; T629-N631 PolarHBondContact O-N 2.95Å; T629-D632 CarbonylContact O-C 3.33Å; T629-P633 VanDerWaalsContact O-CA 3.23Å; T629-P633 WeakPolarHBondContact O-CA 3.37Å; T629-P633 WeakPolarHBondContact O-CB 3.36Å; T629-P633 VanDerWaalsContact O-CD 3.25Å; T629-P633 WeakPolarHBondContact O-CD 3.37Å; T629-P636 HydrophobicContact CG2-CB 4.35Å |
| 630 | Q | 98.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -42 | -179.5 | 174 | 64.6 | 94.5 | 0 | 0 | 113 | A187 P188 K359 I361 F628 | A187-Q630 VanDerWaalsContact CB-CD 3.41Å; A187-Q630 HydrophobicContact CB-CG 3.81Å; A187-Q630 VanDerWaalsContact CB-NE2 3.28Å; P188-Q630 WeakPolarHBondContact CA-O 3.4Å; P188-Q630 VanDerWaalsContact CB-O 3.3Å; P188-Q630 WeakPolarHBondContact CB-O 3.39Å; K359-Q630 PolarHBondContact O-NE2 3.03Å; I361-Q630 HydrophobicContact CB-CB 4.2Å; I361-Q630 PolarHBondContact O-OE1 3.01Å; F628-Q630 VanDerWaalsContact C-N 3.29Å; F628-Q630 PolarHBondContact O-N 3.24Å |
| 631 | N | 98.2 | Very high | 96.6 | Very high | 4 Ų | 4 | 15.9 Ų | 15.9 | 2% | 0.021 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -11 | -173.6 | -66.2 | -33.2 | 0 | 0 | 0 | 112.5 | R139 R189 F628 T629 | R139-N631 PolarHBondContact O-ND2 3.28Å; R189-N631 WeakPolarHBondContact CD-OD1 3.42Å; R189-N631 WeakPolarHBondContact CG-OD1 3.16Å; R189-N631 PolarHBondContact NE-OD1 2.81Å; F628-N631 PolarHBondContact O-N 2.91Å; T629-N631 VanDerWaalsContact C-N 3.34Å; T629-N631 PolarHBondContact O-N 2.95Å |
| 632 | D | 97.3 | Very high | 96.6 | Very high | 6 Ų | 6 | 17.9 Ų | 17.9 | 3% | 0.032 | 10% | 0.103 | C | C | . | . | trans | -141.5 | 71.6 | 166.6 | -168.2 | -2.6 | 0 | 0 | 0 | 111.5 | F628 T629 W634 E635 | F628-D632 PolarHBondContact O-N 2.88Å; T629-D632 CarbonylContact O-C 3.33Å; D632-W634 PolarHBondContact O-N 2.9Å; D632-W634 PolarHBondContact OD1-N 3.24Å; D632-E635 PolarHBondContact OD1-N 2.98Å | ||
| 633 | P | 97.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.006 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -74.3 | -10.6 | 177.4 | 31 | -37 | 0 | 0 | 0 | 112.7 | P188 I361 E601 G604 T629 | P188-P633 HydrophobicContact CB-CG 3.88Å; P188-P633 HydrophobicContact CG-CG 4.22Å; I361-P633 HydrophobicContact CD1-CB 4.26Å; E601-P633 HydrophobicContact CB-CB 4.12Å; E601-P633 HydrophobicContact CB-CG 3.97Å; E601-P633 HydrophobicContact CG-CG 3.97Å; G604-P633 WeakPolarHBondContact CA-O 3.32Å; G604-P633 PolarHBondContact N-O 3.29Å; T629-P633 VanDerWaalsContact O-CA 3.23Å; T629-P633 WeakPolarHBondContact O-CA 3.37Å; T629-P633 WeakPolarHBondContact O-CB 3.36Å; T629-P633 VanDerWaalsContact O-CD 3.25Å; T629-P633 WeakPolarHBondContact O-CD 3.37Å |
| 634 | W | 96.5 | Very high | 96.7 | Very high | 24 Ų | 24 | 16.2 Ų | 16.2 | 9% | 0.091 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -81.9 | -40.5 | -177.9 | -54 | -78.8 | 0 | 0 | 0 | 111.6 | P188 G190 L191 A192 P193 E601 D632 P636 | P188-W634 HydrophobicContact CB-CH2 3.86Å; P188-W634 HydrophobicContact CB-CZ2 4.23Å; P188-W634 HydrophobicContact CG-CH2 4.34Å; P188-W634 HydrophobicContact CG-CZ2 4.23Å; G190-W634 VanDerWaalsContact O-CH2 3.26Å; G190-W634 WeakPolarHBondContact O-CH2 3.3Å; G190-W634 WeakPolarHBondContact O-CZ2 3.14Å; L191-W634 VanDerWaalsContact C-CZ2 3.5Å; A192-W634 VanDerWaalsContact O-CE3 3.31Å; A192-W634 VanDerWaalsContact O-CZ3 3.24Å; A192-W634 WeakPolarHBondContact O-CZ3 3.3Å; P193-W634 HydrophobicContact CG-CB 3.67Å; E601-W634 HydrophobicContact CG-CZ2 4.23Å; E601-W634 PolarHBondContact OE1-NE1 3.07Å; D632-W634 PolarHBondContact O-N 2.9Å; D632-W634 PolarHBondContact OD1-N 3.24Å; W634-P636 VanDerWaalsContact C-CD 3.41Å; W634-P636 WeakPolarHBondContact O-CD 3.15Å |
| 635 | E | 94.5 | Very high | 96.6 | Very high | 112 Ų | 112 | 22.5 Ų | 22.5 | 52% | 0.523 | 11% | 0.111 | S | C | . | . | S | Bend | trans | -119.8 | 64.3 | 172.7 | -74 | -169.2 | -169.6 | 0 | 0 | 112.1 | P193 D632 | P193-E635 HydrophobicContact CB-CB 4.31Å; P193-E635 HydrophobicContact CB-CG 4.06Å; P193-E635 HydrophobicContact CG-CB 4.33Å; P193-E635 HydrophobicContact CG-CG 3.7Å; D632-E635 PolarHBondContact OD1-N 2.98Å |
| 636 | P | 94.2 | Very high | 96.5 | Very high | 23 Ų | 23 | 25.3 Ų | 25.3 | 15% | 0.149 | 13% | 0.126 | C | C | . | . | trans | -67.5 | 142.3 | -172.2 | 32.9 | -40.4 | 0 | 0 | 0 | 112 | V603 T629 W634 V638 | V603-P636 HydrophobicContact CG1-CG 4.04Å; T629-P636 HydrophobicContact CG2-CB 4.35Å; W634-P636 VanDerWaalsContact C-CD 3.41Å; W634-P636 WeakPolarHBondContact O-CD 3.15Å; P636-V638 WeakPolarHBondContact CB-O 3.48Å; P636-V638 PolarHBondContact O-N 3.1Å | ||
| 637 | A | 93.3 | Very high | 96.5 | Very high | 30 Ų | 30 | 27.6 Ų | 27.6 | 25% | 0.248 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -62.3 | -25.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | F128 V134 T626 F628 | F128-A637 HydrophobicContact CD1-CB 3.99Å; F128-A637 HydrophobicContact CD2-CB 4.1Å; F128-A637 HydrophobicContact CE1-CB 3.98Å; F128-A637 HydrophobicContact CE2-CB 4.11Å; F128-A637 HydrophobicContact CG-CB 4.06Å; F128-A637 HydrophobicContact CZ-CB 4.05Å; V134-A637 HydrophobicContact CG2-CB 4.29Å; T626-A637 HydrophobicContact CG2-CB 4.31Å; F628-A637 HydrophobicContact CD2-CB 4.3Å |
| 638 | V | 94.8 | Very high | 96.6 | Very high | 14 Ų | 14 | 28.9 Ų | 28.9 | 9% | 0.085 | 14% | 0.144 | C | C | . | . | trans | -129.2 | 127.1 | 173.8 | 171.4 | 0 | 0 | 0 | 0 | 109.5 | F128 T623 T626 P636 Y643 | F128-V638 HydrophobicContact CD1-CG2 4.04Å; F128-V638 HydrophobicContact CE1-CG2 4.05Å; T623-V638 WeakPolarHBondContact O-CG1 3.23Å; T626-V638 HydrophobicContact CG2-CB 3.83Å; T626-V638 HydrophobicContact CG2-CG2 3.39Å; P636-V638 WeakPolarHBondContact CB-O 3.48Å; P636-V638 PolarHBondContact O-N 3.1Å; V638-Y643 WeakPolarHBondContact CG1-OH 3.24Å | ||
| 639 | S | 94.5 | Very high | 96.6 | Very high | 20 Ų | 20 | 32.4 Ų | 32.4 | 14% | 0.14 | 16% | 0.163 | C | C | . | . | trans | -118.8 | 113.5 | 171 | -179.5 | 0 | 0 | 0 | 0 | 109.7 | E641 D642 | S639-E641 VanDerWaalsContact C-N 3.27Å; S639-E641 PolarHBondContact O-N 2.79Å; S639-D642 WeakPolarHBondContact O-CB 3.31Å; S639-D642 PolarHBondContact O-N 2.86Å; S639-D642 VanDerWaalsContact O-N 3.1Å | ||
| 640 | F | 97.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -33.6 | -177.5 | 179.3 | -103.8 | 0 | 0 | 0 | 113.5 | S606 W607 Y610 A613 D642 Y643 I644 W658 | S606-F640 PolarHBondContact OG-N 2.81Å; W607-F640 HydrophobicContact CB-CB 3.85Å; W607-F640 HydrophobicContact CB-CD1 3.6Å; W607-F640 HydrophobicContact CB-CD2 4.37Å; W607-F640 HydrophobicContact CB-CE1 4.22Å; W607-F640 HydrophobicContact CB-CG 3.66Å; Y610-F640 HydrophobicContact CD2-CD1 4.19Å; Y610-F640 AromaticContact CD2-CE1 3.91Å; Y610-F640 HydrophobicContact CD2-CE1 3.91Å; Y610-F640 HydrophobicContact CE2-CD1 4.47Å; Y610-F640 HydrophobicContact CE2-CE1 4.42Å; A613-F640 HydrophobicContact CB-CE1 4.06Å; A613-F640 HydrophobicContact CB-CZ 3.94Å; F640-D642 PolarHBondContact O-N 3.32Å; F640-D642 VanDerWaalsContact O-N 3.07Å; F640-Y643 AromaticContact CD2-CD2 3.54Å; F640-Y643 HydrophobicContact CD2-CD2 3.54Å; F640-Y643 AromaticContact CD2-CE2 3.97Å; F640-Y643 HydrophobicContact CD2-CE2 3.97Å; F640-Y643 HydrophobicContact CD2-CG 4.36Å; F640-Y643 AromaticContact CE2-CD2 3.79Å; F640-Y643 HydrophobicContact CE2-CD2 3.79Å; F640-Y643 HydrophobicContact CE2-CE2 4.49Å; F640-Y643 WeakPolarHBondContact O-CB 3.44Å; F640-Y643 PolarHBondContact O-N 2.9Å; F640-I644 HydrophobicContact CD1-CD1 4.23Å; F640-I644 HydrophobicContact CE1-CD1 3.6Å; F640-I644 HydrophobicContact CE1-CG1 4.49Å; F640-I644 HydrophobicContact CZ-CD1 4.17Å; F640-W658 HydrophobicContact CD2-CD2 4.41Å; F640-W658 HydrophobicContact CE2-CB 3.86Å; F640-W658 AromaticContact CE2-CD1 3.72Å; F640-W658 AromaticContact CE2-CD2 3.45Å; F640-W658 HydrophobicContact CE2-CD2 3.45Å; F640-W658 VanDerWaalsContact CE2-CD2 3.45Å; F640-W658 AromaticContact CE2-CE2 3.76Å; F640-W658 AromaticContact CE2-CE3 3.96Å; F640-W658 HydrophobicContact CE2-CE3 3.96Å; F640-W658 AromaticContact CE2-CG 3.4Å; F640-W658 HydrophobicContact CE2-CG 3.4Å; F640-W658 HydrophobicContact CE2-CZ2 4.46Å; F640-W658 AromaticContact CE2-NE1 3.91Å; F640-W658 HydrophobicContact CZ-CB 3.55Å; F640-W658 AromaticContact CZ-CD1 3.76Å; F640-W658 HydrophobicContact CZ-CD2 4.09Å; F640-W658 AromaticContact CZ-CG 3.52Å; F640-W658 HydrophobicContact CZ-CG 3.52Å |
| 641 | E | 96.4 | Very high | 96.7 | Very high | 21 Ų | 21 | 34.1 Ų | 34.1 | 10% | 0.098 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -27 | 176.4 | -176.2 | 71.9 | -172.7 | 0 | 0 | 112.6 | S606 R609 Y610 S639 Y643 I644 R645 | S606-E641 PolarHBondContact OG-N 3.01Å; R609-E641 IonicContact CZ-OE2 3.51Å; R609-E641 IonicContact NH1-OE1 3.82Å; R609-E641 IonicContact NH1-OE2 2.73Å; R609-E641 PolarHBondContact NH1-OE2 3.33Å; Y610-E641 WeakPolarHBondContact CE2-OE2 3.46Å; Y610-E641 PolarHBondContact OH-OE1 2.66Å; Y610-E641 PolarHBondContact OH-OE2 3.25Å; S639-E641 VanDerWaalsContact C-N 3.27Å; S639-E641 PolarHBondContact O-N 2.79Å; E641-Y643 PolarHBondContact O-N 2.96Å; E641-I644 PolarHBondContact O-N 3.07Å; E641-R645 WeakPolarHBondContact O-CB 3.34Å; E641-R645 PolarHBondContact O-N 2.56Å; E641-R645 VanDerWaalsContact O-N 3.1Å |
| 642 | D | 95.6 | Very high | 96.7 | Very high | 50 Ų | 50 | 36.7 Ų | 36.7 | 27% | 0.267 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -67.5 | -19.6 | 178.9 | -68.7 | -12.4 | 0 | 0 | 0 | 113 | S639 F640 I644 R645 | S639-D642 WeakPolarHBondContact O-CB 3.31Å; S639-D642 PolarHBondContact O-N 2.86Å; S639-D642 VanDerWaalsContact O-N 3.1Å; F640-D642 PolarHBondContact O-N 3.32Å; F640-D642 VanDerWaalsContact O-N 3.07Å; D642-I644 VanDerWaalsContact C-N 3.32Å; D642-R645 IonicContact OD1-CZ 3.38Å; D642-R645 VanDerWaalsContact OD1-CZ 3.25Å; D642-R645 IonicContact OD1-NH1 3.45Å; D642-R645 PolarHBondContact OD1-NH1 2.81Å; D642-R645 IonicContact OD1-NH2 3.33Å; D642-R645 PolarHBondContact OD1-NH2 3.39Å |
| 643 | Y | 97.8 | Very high | 96.7 | Very high | 13 Ų | 13 | 38.7 Ų | 38.7 | 5% | 0.051 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -80.5 | -16.4 | 178.5 | -54.6 | -7.5 | 0 | 0 | 0 | 112.3 | E621 T623 V638 F640 E641 N646 W658 | E621-Y643 HydrophobicContact CB-CD1 4.11Å; E621-Y643 HydrophobicContact CB-CD2 4.13Å; E621-Y643 HydrophobicContact CB-CE1 3.85Å; E621-Y643 HydrophobicContact CB-CE2 3.83Å; E621-Y643 HydrophobicContact CB-CG 4.26Å; E621-Y643 VanDerWaalsContact CD-CD1 3.43Å; E621-Y643 HydrophobicContact CG-CD1 3.65Å; E621-Y643 HydrophobicContact CG-CE1 3.55Å; E621-Y643 HydrophobicContact CG-CE2 4.42Å; E621-Y643 HydrophobicContact CG-CG 4.18Å; T623-Y643 PolarHBondContact O-OH 3.36Å; V638-Y643 WeakPolarHBondContact CG1-OH 3.24Å; F640-Y643 AromaticContact CD2-CD2 3.54Å; F640-Y643 HydrophobicContact CD2-CD2 3.54Å; F640-Y643 AromaticContact CD2-CE2 3.97Å; F640-Y643 HydrophobicContact CD2-CE2 3.97Å; F640-Y643 HydrophobicContact CD2-CG 4.36Å; F640-Y643 AromaticContact CE2-CD2 3.79Å; F640-Y643 HydrophobicContact CE2-CD2 3.79Å; F640-Y643 HydrophobicContact CE2-CE2 4.49Å; F640-Y643 WeakPolarHBondContact O-CB 3.44Å; F640-Y643 PolarHBondContact O-N 2.9Å; E641-Y643 PolarHBondContact O-N 2.96Å; Y643-N646 PolarHBondContact O-OD1 3.38Å; Y643-W658 HydrophobicContact CD2-CZ2 4.06Å; Y643-W658 HydrophobicContact CE2-CH2 4.18Å; Y643-W658 HydrophobicContact CE2-CZ2 4.12Å |
| 644 | I | 98.1 | Very high | 96.8 | Very high | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -105.3 | -26.4 | -179.6 | -61 | 165.4 | 0 | 0 | 0 | 110.5 | R552 A555 Y610 A613 T615 F640 E641 D642 N646 N647 | R552-I644 HydrophobicContact CG-CG2 3.91Å; R552-I644 WeakPolarHBondContact CG-O 3.35Å; A555-I644 HydrophobicContact CB-CD1 4.08Å; A555-I644 HydrophobicContact CB-CG2 3.86Å; Y610-I644 HydrophobicContact CD2-CD1 4.06Å; Y610-I644 HydrophobicContact CE1-CD1 4.36Å; Y610-I644 HydrophobicContact CE2-CD1 3.73Å; A613-I644 HydrophobicContact CB-CD1 3.72Å; A613-I644 HydrophobicContact CB-CG1 4.39Å; T615-I644 HydrophobicContact CG2-CG1 4.15Å; F640-I644 HydrophobicContact CD1-CD1 4.23Å; F640-I644 HydrophobicContact CE1-CD1 3.6Å; F640-I644 HydrophobicContact CE1-CG1 4.49Å; F640-I644 HydrophobicContact CZ-CD1 4.17Å; E641-I644 PolarHBondContact O-N 3.07Å; D642-I644 VanDerWaalsContact C-N 3.32Å; I644-N646 VanDerWaalsContact C-OD1 3.3Å; I644-N646 PolarHBondContact N-OD1 2.86Å; I644-N646 PolarHBondContact O-N 3.13Å; I644-N647 PolarHBondContact O-N 2.95Å; I644-N647 VanDerWaalsContact O-N 3.08Å |
| 645 | R | 96.3 | Very high | 96.9 | Very high | 131 Ų | 131 | 38.5 Ų | 38.5 | 49% | 0.494 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -68 | -35.2 | -171.1 | -166.1 | 178.8 | -55.6 | 154.7 | 20.7 | 113 | R552 E641 D642 N647 | R552-R645 PolarHBondContact NH2-O 3.15Å; E641-R645 WeakPolarHBondContact O-CB 3.34Å; E641-R645 PolarHBondContact O-N 2.56Å; E641-R645 VanDerWaalsContact O-N 3.1Å; D642-R645 IonicContact OD1-CZ 3.38Å; D642-R645 VanDerWaalsContact OD1-CZ 3.25Å; D642-R645 IonicContact OD1-NH1 3.45Å; D642-R645 PolarHBondContact OD1-NH1 2.81Å; D642-R645 IonicContact OD1-NH2 3.33Å; D642-R645 PolarHBondContact OD1-NH2 3.39Å; R645-N647 PolarHBondContact O-N 2.81Å |
| 646 | N | 94.6 | Very high | 97.1 | Very high | 63 Ų | 63 | 33.3 Ų | 33.3 | 34% | 0.337 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -27 | 169.3 | 51.1 | -19 | 0 | 0 | 0 | 113.4 | E551 Y643 I644 E648 | E551-N646 VanDerWaalsContact OE2-CG 3.31Å; E551-N646 PolarHBondContact OE2-ND2 2.86Å; E551-N646 PolarHBondContact OE2-OD1 3.28Å; Y643-N646 PolarHBondContact O-OD1 3.38Å; I644-N646 VanDerWaalsContact C-OD1 3.3Å; I644-N646 PolarHBondContact N-OD1 2.86Å; I644-N646 PolarHBondContact O-N 3.13Å; N646-E648 VanDerWaalsContact C-N 3.32Å; N646-E648 HydrophobicContact CB-CG 4.19Å; N646-E648 PolarHBondContact ND2-OE2 3.38Å; N646-E648 PolarHBondContact O-N 3.18Å |
| 647 | N | 98.4 | Very high | 97.4 | Very high | 55 Ų | 55 | 32.2 Ų | 32.2 | 29% | 0.294 | 17% | 0.166 | S | C | . | . | trans | 53.4 | 45.5 | 173.2 | -168.7 | 47.3 | 0 | 0 | 0 | 113.3 | T550 E551 R552 I644 R645 | T550-N647 WeakPolarHBondContact CB-OD1 3.33Å; T550-N647 PolarHBondContact OG1-OD1 2.94Å; E551-N647 PolarHBondContact OE2-N 2.83Å; R552-N647 WeakPolarHBondContact CB-OD1 3.2Å; R552-N647 HydrophobicContact CG-CB 3.85Å; R552-N647 WeakPolarHBondContact CG-OD1 3.27Å; R552-N647 PolarHBondContact N-OD1 3.3Å; R552-N647 VanDerWaalsContact N-OD1 3.15Å; I644-N647 PolarHBondContact O-N 2.95Å; I644-N647 VanDerWaalsContact O-N 3.08Å; R645-N647 PolarHBondContact O-N 2.81Å | ||
| 648 | E | 98.6 | Very high | 97.6 | Very high | 28 Ų | 28 | 30.9 Ų | 30.9 | 13% | 0.131 | 15% | 0.154 | C | C | . | . | trans | -64.6 | 161.1 | -178.6 | -65 | -172 | 74.1 | 0 | 0 | 112.2 | T550 E551 R616 R618 N646 | T550-E648 WeakPolarHBondContact CA-O 3.27Å; E551-E648 HydrophobicContact CG-CB 4.32Å; E551-E648 PolarHBondContact N-O 3.39Å; E551-E648 VanDerWaalsContact N-O 3.11Å; E551-E648 PolarHBondContact OE2-N 3.33Å; R616-E648 IonicContact NH1-OE1 3.65Å; R616-E648 PolarHBondContact NH1-OE1 2.83Å; R618-E648 IonicContact CZ-OE1 3.82Å; R618-E648 IonicContact CZ-OE2 3.41Å; R618-E648 IonicContact NE-OE1 3.55Å; R618-E648 IonicContact NE-OE2 3.24Å; R618-E648 PolarHBondContact NE-OE2 3.16Å; R618-E648 IonicContact NH2-OE1 3.38Å; R618-E648 PolarHBondContact NH2-OE1 3.17Å; R618-E648 IonicContact NH2-OE2 2.77Å; R618-E648 PolarHBondContact NH2-OE2 3.06Å; N646-E648 VanDerWaalsContact C-N 3.32Å; N646-E648 HydrophobicContact CB-CG 4.19Å; N646-E648 PolarHBondContact ND2-OE2 3.38Å; N646-E648 PolarHBondContact O-N 3.18Å | ||
| 649 | N | 98.6 | Very high | 97.8 | Very high | 79 Ų | 79 | 30.2 Ų | 30.2 | 42% | 0.422 | 15% | 0.15 | S | C | . | . | B | Isolated β-bridge | trans | -69.4 | 133.7 | 170 | 173.7 | 80.5 | 0 | 0 | 0 | 110.2 | K549 V651 Q653 | K549-N649 WeakPolarHBondContact O-CA 3.4Å; K549-N649 PolarHBondContact O-OD1 3.24Å; N649-V651 PolarHBondContact ND2-N 2.85Å; N649-V651 PolarHBondContact ND2-O 3.32Å; N649-V651 VanDerWaalsContact ND2-O 3.1Å; N649-Q653 WeakPolarHBondContact O-CG 3.35Å |
| 650 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -116.4 | 12.5 | 178.7 | 60.1 | 168.4 | 0 | 0 | 0 | 112.9 | F518 H548 K549 E551 A554 V614 L655 | F518-I650 HydrophobicContact CB-CD1 4.37Å; H548-I650 HydrophobicContact CB-CD1 4.26Å; H548-I650 WeakPolarHBondContact O-CD1 3.42Å; H548-I650 WeakPolarHBondContact O-CG1 3.39Å; K549-I650 VanDerWaalsContact C-CG1 3.49Å; K549-I650 WeakPolarHBondContact O-CG1 3.44Å; K549-I650 PolarHBondContact O-N 3.45Å; E551-I650 HydrophobicContact CG-CG2 3.55Å; A554-I650 HydrophobicContact CB-CD1 3.6Å; V614-I650 HydrophobicContact CG1-CD1 4.39Å; I650-L655 HydrophobicContact CB-CD1 4.5Å; I650-L655 HydrophobicContact CB-CD2 3.62Å; I650-L655 HydrophobicContact CG2-CD2 3.95Å | ||
| 651 | V | 98.7 | Very high | 98.1 | Very high | 38 Ų | 38 | 29.2 Ų | 29.2 | 23% | 0.23 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 123.7 | 175 | -175.9 | 0 | 0 | 0 | 0 | 109.9 | K549 N649 Q653 | K549-V651 HydrophobicContact CB-CG2 3.88Å; K549-V651 HydrophobicContact CG-CG2 3.82Å; N649-V651 PolarHBondContact ND2-N 2.85Å; N649-V651 PolarHBondContact ND2-O 3.32Å; N649-V651 VanDerWaalsContact ND2-O 3.1Å; V651-Q653 WeakPolarHBondContact O-CG 3.47Å; V651-Q653 PolarHBondContact O-N 3.34Å; V651-Q653 PolarHBondContact O-NE2 3.36Å |
| 652 | N | 98.4 | Very high | 98.2 | Very high | 58 Ų | 58 | 28.2 Ų | 28.2 | 31% | 0.31 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 52 | 178.4 | -165.5 | 67.3 | 0 | 0 | 0 | 112.1 | D515 N516 S517 P571 | D515-N652 WeakPolarHBondContact CB-OD1 3.34Å; N516-N652 CarbonylContact O-C 3.53Å; N516-N652 WeakPolarHBondContact O-CA 3.15Å; N516-N652 PolarHBondContact O-N 3.46Å; S517-N652 PolarHBondContact OG-N 2.9Å; P571-N652 HydrophobicContact CG-CB 4.18Å; P571-N652 WeakPolarHBondContact CG-OD1 3.48Å |
| 653 | Q | 98.6 | Very high | 98.3 | Very high | 47 Ų | 47 | 26.4 Ų | 26.4 | 22% | 0.22 | 13% | 0.129 | C | C | . | . | B | Isolated β-bridge | trans | -129.5 | 168.2 | 179.7 | -60.2 | -55 | -53.1 | 0 | 0 | 110.6 | R514 N516 R616 N649 V651 L655 | R514-Q653 CarbonylContact O-C 3.44Å; N516-Q653 PolarHBondContact N-O 3.28Å; N516-Q653 PolarHBondContact O-N 2.77Å; N516-Q653 VanDerWaalsContact O-O 3.11Å; R616-Q653 HydrophobicContact CG-CB 4.38Å; R616-Q653 VanDerWaalsContact CZ-OE1 3.29Å; N649-Q653 WeakPolarHBondContact O-CG 3.35Å; V651-Q653 WeakPolarHBondContact O-CG 3.47Å; V651-Q653 PolarHBondContact O-N 3.34Å; V651-Q653 PolarHBondContact O-NE2 3.36Å; Q653-L655 HydrophobicContact CB-CD2 3.93Å; Q653-L655 WeakPolarHBondContact O-CG 3.2Å; Q653-L655 PolarHBondContact O-N 3.08Å |
| 654 | D | 98.8 | Very high | 98.3 | Very high | 22 Ų | 22 | 30.7 Ų | 30.7 | 12% | 0.118 | 15% | 0.152 | C | C | . | . | trans | -68 | 110.6 | 166 | -167.2 | -22 | 0 | 0 | 0 | 109.3 | K77 R514 R616 H617 | K77-D654 VanDerWaalsContact NZ-CG 3.32Å; K77-D654 IonicContact NZ-OD1 3.72Å; K77-D654 PolarHBondContact NZ-OD1 3.07Å; K77-D654 IonicContact NZ-OD2 3.19Å; K77-D654 PolarHBondContact NZ-OD2 3.27Å; R514-D654 HydrophobicContact CB-CB 4.18Å; R514-D654 WeakPolarHBondContact CD-OD2 3.48Å; R514-D654 WeakPolarHBondContact O-CA 3.44Å; R514-D654 PolarHBondContact O-N 3.45Å; R616-D654 WeakPolarHBondContact CA-O 3.4Å; H617-D654 HydrophobicContact CB-CB 3.93Å; H617-D654 VanDerWaalsContact CB-CG 3.43Å; H617-D654 VanDerWaalsContact CB-OD1 3.27Å; H617-D654 WeakPolarHBondContact CB-OD1 3.44Å; H617-D654 IonicContact CG-OD1 2.67Å; H617-D654 IonicContact CG-OD2 3.88Å; H617-D654 PolarHBondContact N-O 2.77Å; H617-D654 IonicContact ND1-OD2 2.86Å | ||
| 655 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 137.6 | -170.2 | -59.2 | -171.1 | 0 | 0 | 0 | 112.2 | L509 N516 F518 F568 V614 I650 Q653 | L509-L655 PolarHBondContact N-O 3.3Å; N516-L655 HydrophobicContact CB-CD1 4.38Å; N516-L655 HydrophobicContact CB-CG 4.4Å; F518-L655 HydrophobicContact CB-CD1 4.16Å; F568-L655 HydrophobicContact CD1-CB 4.41Å; F568-L655 HydrophobicContact CD1-CD1 4.19Å; F568-L655 HydrophobicContact CE1-CB 4.25Å; F568-L655 HydrophobicContact CE1-CD1 4.28Å; V614-L655 HydrophobicContact CG1-CB 4.25Å; V614-L655 HydrophobicContact CG1-CD1 4.19Å; I650-L655 HydrophobicContact CB-CD1 4.5Å; I650-L655 HydrophobicContact CB-CD2 3.62Å; I650-L655 HydrophobicContact CG2-CD2 3.95Å; Q653-L655 HydrophobicContact CB-CD2 3.93Å; Q653-L655 WeakPolarHBondContact O-CG 3.2Å; Q653-L655 PolarHBondContact O-N 3.08Å |
| 656 | V | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.012 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 126.3 | 172.1 | -175.7 | 0 | 0 | 0 | 0 | 108.8 | K506 D508 V614 T615 H617 W658 | K506-V656 HydrophobicContact CD-CG1 4.4Å; K506-V656 HydrophobicContact CG-CG1 3.57Å; D508-V656 HydrophobicContact CB-CG1 4.5Å; D508-V656 HydrophobicContact CB-CG2 4.21Å; V614-V656 WeakPolarHBondContact CA-O 3.48Å; T615-V656 PolarHBondContact N-O 2.95Å; T615-V656 PolarHBondContact O-N 2.94Å; H617-V656 HydrophobicContact CB-CG2 3.85Å; V656-W658 HydrophobicContact CG1-CD2 4.19Å; V656-W658 HydrophobicContact CG1-CZ2 3.94Å |
| 657 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 138.8 | 167 | 0 | 0 | 0 | 0 | 0 | 109.7 | V507 F568 I585 L612 | V507-A657 WeakPolarHBondContact CA-O 3.45Å; V507-A657 HydrophobicContact CB-CB 4.15Å; V507-A657 PolarHBondContact N-O 2.83Å; V507-A657 PolarHBondContact O-N 2.96Å; F568-A657 HydrophobicContact CE1-CB 4.2Å; F568-A657 HydrophobicContact CE2-CB 3.97Å; F568-A657 HydrophobicContact CZ-CB 3.44Å; F568-A657 VanDerWaalsContact CZ-CB 3.44Å; I585-A657 HydrophobicContact CD1-CB 3.6Å; L612-A657 HydrophobicContact CD1-CB 4.17Å |
| 658 | W | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.008 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 117.3 | 176.4 | -59 | 92.3 | 0 | 0 | 0 | 107.7 | Q342 H504 Y505 K506 L612 A613 T615 F640 Y643 V656 | Q342-W658 HydrophobicContact CG-CZ3 4.18Å; H504-W658 AromaticContact CE1-CE3 3.62Å; Y505-W658 WeakPolarHBondContact O-CA 3.4Å; K506-W658 HydrophobicContact CB-CE3 3.92Å; K506-W658 HydrophobicContact CB-CH2 4.34Å; K506-W658 HydrophobicContact CB-CZ3 3.69Å; K506-W658 HydrophobicContact CD-CH2 3.98Å; K506-W658 HydrophobicContact CD-CZ3 4.15Å; K506-W658 HydrophobicContact CG-CE3 4.17Å; K506-W658 HydrophobicContact CG-CH2 3.96Å; K506-W658 HydrophobicContact CG-CZ2 4.43Å; K506-W658 HydrophobicContact CG-CZ3 3.82Å; L612-W658 VanDerWaalsContact CA-O 3.3Å; L612-W658 WeakPolarHBondContact CA-O 3.47Å; A613-W658 PolarHBondContact N-O 2.77Å; A613-W658 PolarHBondContact O-N 2.99Å; T615-W658 PolarHBondContact OG1-NE1 3.26Å; F640-W658 HydrophobicContact CD2-CD2 4.41Å; F640-W658 HydrophobicContact CE2-CB 3.86Å; F640-W658 AromaticContact CE2-CD1 3.72Å; F640-W658 AromaticContact CE2-CD2 3.45Å; F640-W658 HydrophobicContact CE2-CD2 3.45Å; F640-W658 VanDerWaalsContact CE2-CD2 3.45Å; F640-W658 AromaticContact CE2-CE2 3.76Å; F640-W658 AromaticContact CE2-CE3 3.96Å; F640-W658 HydrophobicContact CE2-CE3 3.96Å; F640-W658 AromaticContact CE2-CG 3.4Å; F640-W658 HydrophobicContact CE2-CG 3.4Å; F640-W658 HydrophobicContact CE2-CZ2 4.46Å; F640-W658 AromaticContact CE2-NE1 3.91Å; F640-W658 HydrophobicContact CZ-CB 3.55Å; F640-W658 AromaticContact CZ-CD1 3.76Å; F640-W658 HydrophobicContact CZ-CD2 4.09Å; F640-W658 AromaticContact CZ-CG 3.52Å; F640-W658 HydrophobicContact CZ-CG 3.52Å; Y643-W658 HydrophobicContact CD2-CZ2 4.06Å; Y643-W658 HydrophobicContact CE2-CH2 4.18Å; Y643-W658 HydrophobicContact CE2-CZ2 4.12Å; V656-W658 HydrophobicContact CG1-CD2 4.19Å; V656-W658 HydrophobicContact CG1-CZ2 3.94Å |
| 659 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 120.2 | -166.6 | 179.3 | 0 | 0 | 0 | 0 | 109.4 | H504 Y505 V507 I585 F587 L612 V661 F684 | H504-V659 WeakPolarHBondContact CA-O 3.25Å; H504-V659 PolarHBondContact CD2-O 3.05Å; Y505-V659 PolarHBondContact N-O 2.9Å; Y505-V659 PolarHBondContact O-N 3.13Å; V507-V659 HydrophobicContact CG2-CB 4.42Å; V507-V659 HydrophobicContact CG2-CG2 3.77Å; I585-V659 HydrophobicContact CD1-CG2 4.16Å; I585-V659 HydrophobicContact CG2-CG2 4.34Å; F587-V659 HydrophobicContact CD1-CG1 4.41Å; F587-V659 HydrophobicContact CE1-CG1 3.58Å; F587-V659 HydrophobicContact CZ-CG1 3.77Å; F587-V659 HydrophobicContact CZ-CG2 4.48Å; L612-V659 HydrophobicContact CD1-CG2 3.76Å; V659-V661 HydrophobicContact CG1-CG1 4.06Å; V659-F684 HydrophobicContact CB-CD1 4.23Å; V659-F684 HydrophobicContact CB-CE1 4.14Å; V659-F684 HydrophobicContact CG1-CB 4.4Å; V659-F684 HydrophobicContact CG1-CD1 3.51Å; V659-F684 HydrophobicContact CG1-CE1 3.92Å; V659-F684 HydrophobicContact CG1-CG 3.99Å |
| 660 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 126.2 | 171.5 | -53 | 0 | 0 | 0 | 0 | 110 | L502 I503 H504 F558 W607 Y610 P611 | L502-T660 HydrophobicContact CB-CG2 4.17Å; L502-T660 HydrophobicContact CD2-CG2 4.24Å; I503-T660 WeakPolarHBondContact O-CA 3.33Å; H504-T660 PolarHBondContact CD2-OG1 3.1Å; F558-T660 HydrophobicContact CE2-CG2 4.19Å; F558-T660 HydrophobicContact CZ-CG2 4.2Å; W607-T660 HydrophobicContact CE3-CG2 4.18Å; W607-T660 HydrophobicContact CZ3-CG2 3.98Å; W607-T660 PolarHBondContact O-OG1 3.33Å; Y610-T660 WeakPolarHBondContact O-CB 3.4Å; Y610-T660 PolarHBondContact O-OG1 3.42Å; P611-T660 PolarHBondContact O-N 3.15Å |
| 661 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 169.7 | 172.1 | -60.1 | 0 | 0 | 0 | 0 | 109.6 | L502 I503 Y505 F587 S589 V659 V682 G683 F684 | L502-V661 CarbonylContact C-O 3.58Å; L502-V661 WeakPolarHBondContact CA-O 3.36Å; I503-V661 HydrophobicContact CB-CG2 4.1Å; I503-V661 PolarHBondContact N-O 3.49Å; I503-V661 PolarHBondContact O-N 2.77Å; Y505-V661 HydrophobicContact CD2-CG2 4.39Å; Y505-V661 HydrophobicContact CE2-CG2 3.97Å; F587-V661 HydrophobicContact CD1-CG1 4.36Å; S589-V661 WeakPolarHBondContact OG-CA 3.45Å; V659-V661 HydrophobicContact CG1-CG1 4.06Å; V661-V682 HydrophobicContact CB-CB 4.38Å; V661-V682 HydrophobicContact CB-CG2 4.34Å; V661-V682 HydrophobicContact CG2-CG2 4.07Å; V661-G683 WeakPolarHBondContact CG1-O 3.35Å; V661-F684 HydrophobicContact CG1-CD1 4.43Å |
| 662 | G | 98.3 | Very high | 98.6 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 153.5 | -176.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | H501 S589 H590 A591 | H501-G662 CarbonylContact O-C 3.35Å; H501-G662 WeakPolarHBondContact O-CA 3.46Å; S589-G662 PolarHBondContact OG-N 2.83Å; S589-G662 VanDerWaalsContact OG-N 3.07Å; S589-G662 PolarHBondContact OG-O 3.32Å; H590-G662 CarbonylContact C-O 3.57Å; H590-G662 VanDerWaalsContact C-O 3.29Å; H590-G662 PolarHBondContact N-O 2.85Å; A591-G662 PolarHBondContact N-O 2.97Å |
| 663 | F | 98.2 | Very high | 98.5 | Very high | 13 Ų | 13 | 29 Ų | 29 | 6% | 0.057 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 156 | -179.4 | 58.3 | -84.9 | 0 | 0 | 0 | 111.1 | A470 H501 H590 H665 N680 V682 | A470-F663 HydrophobicContact CB-CZ 4.06Å; H501-F663 HydrophobicContact CB-CD1 4.41Å; H501-F663 HydrophobicContact CB-CE1 4.13Å; H501-F663 HydrophobicContact CB-CZ 4.28Å; H501-F663 AromaticContact CD2-CE2 3.58Å; H501-F663 AromaticContact CD2-CZ 3.52Å; H501-F663 PolarHBondContact N-O 2.92Å; H501-F663 PolarHBondContact O-N 2.89Å; H590-F663 HydrophobicContact CB-CB 4.07Å; F663-H665 HydrophobicContact CD2-CB 4.31Å; F663-H665 HydrophobicContact CE2-CB 4.07Å; F663-N680 HydrophobicContact CZ-CB 4.24Å; F663-V682 HydrophobicContact CB-CG1 4.49Å; F663-V682 HydrophobicContact CD1-CG1 3.75Å; F663-V682 HydrophobicContact CD1-CG2 4.07Å; F663-V682 HydrophobicContact CE1-CG2 4.34Å |
| 664 | L | 98.3 | Very high | 98.5 | Very high | 103 Ų | 103 | 27.6 Ų | 27.6 | 54% | 0.539 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 132.8 | 167.4 | -178.7 | 70.4 | 0 | 0 | 0 | 108.9 | L498 T500 V666 | L498-L664 HydrophobicContact CD1-CD1 3.71Å; L498-L664 HydrophobicContact CD1-CG 4.19Å; L498-L664 HydrophobicContact CG-CD1 4.44Å; T500-L664 WeakPolarHBondContact OG1-CD1 3.31Å; L664-V666 HydrophobicContact CD2-CG2 4.34Å; L664-V666 HydrophobicContact CG-CG2 4.48Å |
| 665 | H | 98.5 | Very high | 98.5 | Very high | 9 Ų | 9 | 26.5 Ų | 26.5 | 4% | 0.042 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 111.3 | 173.3 | -170.5 | -169.5 | 0 | 0 | 0 | 108.8 | H499 F663 P667 D671 T675 | H499-H665 AromaticContact CE1-CG 3.68Å; H499-H665 AromaticContact CE1-ND1 3.25Å; H499-H665 PolarHBondContact CE1-ND1 3.35Å; H499-H665 VanDerWaalsContact CE1-ND1 3.25Å; H499-H665 PolarHBondContact N-O 3.47Å; H499-H665 AromaticContact NE2-CG 3.76Å; H499-H665 AromaticContact NE2-ND1 3.22Å; H499-H665 PolarHBondContact NE2-ND1 2.93Å; H499-H665 PolarHBondContact O-N 3.11Å; H499-H665 VanDerWaalsContact O-O 3.09Å; F663-H665 HydrophobicContact CD2-CB 4.31Å; F663-H665 HydrophobicContact CE2-CB 4.07Å; H665-P667 WeakPolarHBondContact O-CD 3.29Å; H665-D671 IonicContact CD2-OD2 3.46Å; H665-D671 IonicContact CE1-OD1 2.66Å; H665-D671 IonicContact CE1-OD2 3.47Å; H665-D671 IonicContact NE2-OD1 2.71Å; H665-D671 PolarHBondContact NE2-OD1 2.79Å; H665-D671 IonicContact NE2-OD2 3.59Å; H665-D671 PolarHBondContact NE2-OD2 3.06Å; H665-T675 PolarHBondContact CE1-OG1 3.11Å; H665-T675 VanDerWaalsContact CE1-OG1 3.26Å |
| 666 | V | 98.4 | Very high | 98.5 | Very high | 71 Ų | 71 | 29 Ų | 29 | 43% | 0.43 | 16% | 0.163 | S | C | . | . | trans | -97 | 103.4 | 164.1 | -177.1 | 0 | 0 | 0 | 0 | 104.5 | L498 L664 | L498-V666 HydrophobicContact CD1-CB 4.27Å; L498-V666 HydrophobicContact CD1-CG2 3.51Å; L664-V666 HydrophobicContact CD2-CG2 4.34Å; L664-V666 HydrophobicContact CG-CG2 4.48Å | ||
| 667 | P | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -57.7 | 150.4 | -177.9 | -28.4 | 37.7 | 0 | 0 | 0 | 111.8 | I474 T488 N497 H665 D671 | I474-P667 HydrophobicContact CD1-CB 3.94Å; I474-P667 HydrophobicContact CD1-CG 4.48Å; I474-P667 HydrophobicContact CG2-CB 4.38Å; I474-P667 HydrophobicContact CG2-CG 4.46Å; T488-P667 WeakPolarHBondContact CB-O 3.49Å; T488-P667 PolarHBondContact OG1-O 3.12Å; N497-P667 VanDerWaalsContact O-CD 3.24Å; N497-P667 WeakPolarHBondContact O-CD 3.21Å; N497-P667 VanDerWaalsContact O-CG 3.28Å; N497-P667 WeakPolarHBondContact O-CG 3.4Å; H665-P667 WeakPolarHBondContact O-CD 3.29Å; P667-D671 VanDerWaalsContact CA-OD2 3.24Å; P667-D671 WeakPolarHBondContact CA-OD2 3.44Å | ||
| 668 | H | 98.6 | Very high | 98.4 | Very high | 80 Ų | 80 | 36.7 Ų | 36.7 | 37% | 0.37 | 21% | 0.212 | S | C | . | . | trans | -139.9 | 174.4 | 178.5 | 52.3 | 85 | 0 | 0 | 0 | 110.8 | E670 D671 | H668-E670 IonicContact CE1-OE2 3.17Å; H668-E670 IonicContact CG-OE2 2.83Å; H668-E670 IonicContact ND1-OE2 2.77Å; H668-E670 PolarHBondContact ND1-OE2 3.41Å; H668-E670 PolarHBondContact O-N 2.8Å; H668-E670 VanDerWaalsContact O-N 3.15Å; H668-D671 IonicContact CD2-OD2 3.45Å; H668-D671 IonicContact CG-OD2 3.7Å; H668-D671 PolarHBondContact N-OD2 3.1Å; H668-D671 IonicContact NE2-OD2 3.48Å; H668-D671 VanDerWaalsContact O-CB 3.31Å; H668-D671 WeakPolarHBondContact O-CB 3.32Å; H668-D671 PolarHBondContact O-N 2.93Å | ||
| 669 | S | 98.3 | Very high | 98.2 | Very high | 70 Ų | 70 | 39.9 Ų | 39.9 | 49% | 0.49 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -57.2 | -31.4 | -173.6 | 35.2 | 0 | 0 | 0 | 0 | 114.1 | D671 I672 | S669-D671 PolarHBondContact O-N 2.85Å; S669-I672 WeakPolarHBondContact O-CB 3.37Å; S669-I672 PolarHBondContact O-N 3.08Å; S669-I672 VanDerWaalsContact O-N 3.15Å |
| 670 | E | 98.4 | Very high | 98.1 | Very high | 132 Ų | 132 | 41.4 Ų | 41.4 | 62% | 0.617 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -76.1 | -7.3 | 178.8 | -58.2 | 78.3 | 178.7 | 0 | 0 | 113.2 | H668 I672 | H668-E670 IonicContact CE1-OE2 3.17Å; H668-E670 IonicContact CG-OE2 2.83Å; H668-E670 IonicContact ND1-OE2 2.77Å; H668-E670 PolarHBondContact ND1-OE2 3.41Å; H668-E670 PolarHBondContact O-N 2.8Å; H668-E670 VanDerWaalsContact O-N 3.15Å; E670-I672 PolarHBondContact O-N 3.4Å |
| 671 | D | 98.5 | Very high | 98 | Very high | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.016 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -77.4 | 3.9 | 165.4 | -69.4 | -56.7 | 0 | 0 | 0 | 112.2 | I474 H665 P667 H668 S669 P673 N674 T675 | I474-D671 HydrophobicContact CG2-CB 4Å; H665-D671 IonicContact CD2-OD2 3.46Å; H665-D671 IonicContact CE1-OD1 2.66Å; H665-D671 IonicContact CE1-OD2 3.47Å; H665-D671 IonicContact NE2-OD1 2.71Å; H665-D671 PolarHBondContact NE2-OD1 2.79Å; H665-D671 IonicContact NE2-OD2 3.59Å; H665-D671 PolarHBondContact NE2-OD2 3.06Å; P667-D671 VanDerWaalsContact CA-OD2 3.24Å; P667-D671 WeakPolarHBondContact CA-OD2 3.44Å; H668-D671 IonicContact CD2-OD2 3.45Å; H668-D671 IonicContact CG-OD2 3.7Å; H668-D671 PolarHBondContact N-OD2 3.1Å; H668-D671 IonicContact NE2-OD2 3.48Å; H668-D671 VanDerWaalsContact O-CB 3.31Å; H668-D671 WeakPolarHBondContact O-CB 3.32Å; H668-D671 PolarHBondContact O-N 2.93Å; S669-D671 PolarHBondContact O-N 2.85Å; D671-P673 CarbonylContact O-C 3.5Å; D671-N674 CarbonylContact C-O 3.56Å; D671-N674 CarbonylContact O-C 3.47Å; D671-N674 WeakPolarHBondContact O-CA 3.48Å; D671-N674 PolarHBondContact O-N 3.3Å; D671-T675 VanDerWaalsContact OD1-CA 3.25Å; D671-T675 WeakPolarHBondContact OD1-CA 3.44Å; D671-T675 VanDerWaalsContact OD1-CB 3.31Å; D671-T675 WeakPolarHBondContact OD1-CB 3.5Å; D671-T675 WeakPolarHBondContact OD1-CG2 3.45Å; D671-T675 PolarHBondContact OD1-OG1 3.39Å |
| 672 | I | 98 | Very high | 98 | Very high | 28 Ų | 28 | 42.8 Ų | 42.8 | 14% | 0.144 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -103.9 | 123.6 | 175.6 | -55.1 | -59 | 0 | 0 | 0 | 110 | I211 Y271 V490 S669 E670 | I211-I672 HydrophobicContact CD1-CD1 3.91Å; Y271-I672 HydrophobicContact CD2-CG2 3.78Å; Y271-I672 VanDerWaalsContact O-CG2 3.28Å; Y271-I672 WeakPolarHBondContact O-CG2 3.39Å; V490-I672 HydrophobicContact CB-CD1 4.17Å; V490-I672 HydrophobicContact CB-CG1 4.06Å; V490-I672 HydrophobicContact CG2-CD1 3.93Å; V490-I672 HydrophobicContact CG2-CG1 4.36Å; S669-I672 WeakPolarHBondContact O-CB 3.37Å; S669-I672 PolarHBondContact O-N 3.08Å; S669-I672 VanDerWaalsContact O-N 3.15Å; E670-I672 PolarHBondContact O-N 3.4Å |
| 673 | P | 97.2 | Very high | 98 | Very high | 27 Ų | 27 | 42.9 Ų | 42.9 | 18% | 0.175 | 27% | 0.266 | C | S | . | . | S | Bend | cis | -74.8 | -29.1 | 3.6 | 30.8 | -36.1 | 0 | 0 | 0 | 113.4 | S272 Y473 D671 | S272-P673 WeakPolarHBondContact O-CB 3.42Å; Y473-P673 VanDerWaalsContact CD1-O 3.25Å; Y473-P673 WeakPolarHBondContact CD1-O 3.46Å; Y473-P673 HydrophobicContact CE1-CB 4.22Å; Y473-P673 WeakPolarHBondContact CE1-O 3.28Å; D671-P673 CarbonylContact O-C 3.5Å |
| 674 | N | 98.4 | Very high | 98.1 | Very high | 17 Ų | 17 | 42.3 Ų | 42.3 | 9% | 0.091 | 26% | 0.263 | C | S | . | . | trans | -135.8 | 151.1 | -172.1 | -84.9 | -161.3 | 0 | 0 | 0 | 112.8 | Y274 G472 Y473 D671 A676 | Y274-N674 WeakPolarHBondContact CE2-OD1 3.46Å; Y274-N674 VanDerWaalsContact CZ-OD1 3.3Å; Y274-N674 PolarHBondContact OH-OD1 2.76Å; G472-N674 VanDerWaalsContact C-OD1 3.25Å; G472-N674 WeakPolarHBondContact CA-OD1 3.29Å; G472-N674 CarbonylContact O-C 3.54Å; G472-N674 VanDerWaalsContact O-CA 3.25Å; G472-N674 WeakPolarHBondContact O-CA 3.29Å; G472-N674 WeakPolarHBondContact O-CB 3.42Å; G472-N674 PolarHBondContact O-ND2 2.84Å; Y473-N674 WeakPolarHBondContact CD1-ND2 3.31Å; Y473-N674 WeakPolarHBondContact CD2-ND2 3.02Å; Y473-N674 WeakPolarHBondContact CE1-ND2 3.38Å; Y473-N674 VanDerWaalsContact CE2-ND2 3.33Å; Y473-N674 WeakPolarHBondContact CE2-ND2 3.43Å; Y473-N674 VanDerWaalsContact CZ-ND2 3.31Å; Y473-N674 PolarHBondContact N-ND2 3.32Å; D671-N674 CarbonylContact C-O 3.56Å; D671-N674 CarbonylContact O-C 3.47Å; D671-N674 WeakPolarHBondContact O-CA 3.48Å; D671-N674 PolarHBondContact O-N 3.3Å; N674-A676 PolarHBondContact O-N 2.98Å | ||
| 675 | T | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -62.5 | 130.1 | 168.6 | -66.2 | 0 | 0 | 0 | 0 | 110 | T471 G472 I474 H665 D671 N680 | T471-T675 VanDerWaalsContact CA-O 3.23Å; T471-T675 WeakPolarHBondContact CA-O 3.47Å; T471-T675 VanDerWaalsContact CB-O 3.29Å; T471-T675 WeakPolarHBondContact CB-O 3.45Å; T471-T675 PolarHBondContact OG1-O 3.27Å; G472-T675 PolarHBondContact O-N 3.14Å; I474-T675 WeakPolarHBondContact CG2-OG1 3.29Å; H665-T675 PolarHBondContact CE1-OG1 3.11Å; H665-T675 VanDerWaalsContact CE1-OG1 3.26Å; D671-T675 VanDerWaalsContact OD1-CA 3.25Å; D671-T675 WeakPolarHBondContact OD1-CA 3.44Å; D671-T675 VanDerWaalsContact OD1-CB 3.31Å; D671-T675 WeakPolarHBondContact OD1-CB 3.5Å; D671-T675 WeakPolarHBondContact OD1-CG2 3.45Å; D671-T675 PolarHBondContact OD1-OG1 3.39Å; T675-N680 WeakPolarHBondContact CG2-ND2 3.12Å |
| 676 | A | 98.3 | Very high | 98.1 | Very high | 53 Ų | 53 | 39 Ų | 39 | 44% | 0.438 | 25% | 0.245 | S | C | . | . | trans | -91.1 | 150 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | N674 P678 N680 | N674-A676 PolarHBondContact O-N 2.98Å; A676-P678 VanDerWaalsContact C-CD 3.43Å; A676-N680 PolarHBondContact O-ND2 3.26Å | ||
| 677 | T | 98.4 | Very high | 98.1 | Very high | 53 Ų | 53 | 40 Ų | 40 | 33% | 0.325 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -69.6 | -29.2 | 179.4 | 60.4 | 0 | 0 | 0 | 0 | 116.1 | I453 T471 G679 N680 | I453-T677 HydrophobicContact CD1-CG2 4.07Å; T471-T677 HydrophobicContact CG2-CG2 4.31Å; T677-G679 PolarHBondContact O-N 2.98Å; T677-N680 PolarHBondContact O-N 3.01Å |
| 678 | P | 98 | Very high | 98.1 | Very high | 109 Ų | 109 | 41.7 Ų | 41.7 | 71% | 0.708 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 121 | 179.8 | -25.3 | 36.4 | 0 | 0 | 0 | 112.2 | A676 N680 | A676-P678 VanDerWaalsContact C-CD 3.43Å; P678-N680 PolarHBondContact O-N 3.1Å |
| 679 | G | 95.2 | Very high | 98.1 | Very high | 69 Ų | 69 | 40.1 Ų | 40.1 | 71% | 0.711 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.4 | -17.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | T677 A681 | T677-G679 PolarHBondContact O-N 2.98Å; G679-A681 VanDerWaalsContact C-N 3.35Å; G679-A681 PolarHBondContact O-N 2.93Å |
| 680 | N | 96.6 | Very high | 98.1 | Very high | 33 Ų | 33 | 39.2 Ų | 39.2 | 18% | 0.176 | 23% | 0.233 | C | C | . | . | trans | -97.8 | 26.4 | 179.6 | -70.1 | -35 | 0 | 0 | 0 | 113.2 | A470 F663 T675 A676 T677 P678 | A470-N680 PolarHBondContact N-O 3.32Å; F663-N680 HydrophobicContact CZ-CB 4.24Å; T675-N680 WeakPolarHBondContact CG2-ND2 3.12Å; A676-N680 PolarHBondContact O-ND2 3.26Å; T677-N680 PolarHBondContact O-N 3.01Å; P678-N680 PolarHBondContact O-N 3.1Å | ||
| 681 | A | 97.2 | Very high | 98.1 | Very high | 27 Ų | 27 | 33 Ų | 33 | 22% | 0.223 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 122.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | K467 V468 S469 N588 G679 | K467-A681 HydrophobicContact CD-CB 4.2Å; K467-A681 HydrophobicContact CG-CB 4.24Å; V468-A681 CarbonylContact O-C 3.53Å; V468-A681 VanDerWaalsContact O-CA 3.27Å; V468-A681 WeakPolarHBondContact O-CA 3.37Å; S469-A681 WeakPolarHBondContact OG-CB 3.41Å; N588-A681 PolarHBondContact ND2-O 3.3Å; G679-A681 VanDerWaalsContact C-N 3.35Å; G679-A681 PolarHBondContact O-N 2.93Å |
| 682 | V | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 161.8 | 178.4 | -64.6 | 0 | 0 | 0 | 0 | 110.7 | K467 V468 I503 N588 V661 F663 | K467-V682 WeakPolarHBondContact CA-O 3.45Å; V468-V682 HydrophobicContact CG1-CG2 3.58Å; V468-V682 WeakPolarHBondContact CG1-O 3.49Å; V468-V682 PolarHBondContact N-O 3.09Å; V468-V682 PolarHBondContact O-N 3.36Å; I503-V682 HydrophobicContact CD1-CG2 4.4Å; N588-V682 CarbonylContact O-C 3.54Å; N588-V682 VanDerWaalsContact O-CA 3.3Å; N588-V682 WeakPolarHBondContact O-CA 3.12Å; N588-V682 WeakPolarHBondContact O-CB 3.3Å; V661-V682 HydrophobicContact CB-CB 4.38Å; V661-V682 HydrophobicContact CB-CG2 4.34Å; V661-V682 HydrophobicContact CG2-CG2 4.07Å; F663-V682 HydrophobicContact CB-CG1 4.49Å; F663-V682 HydrophobicContact CD1-CG1 3.75Å; F663-V682 HydrophobicContact CD1-CG2 4.07Å; F663-V682 HydrophobicContact CE1-CG2 4.34Å |
| 683 | G | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 37 Ų | 37 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161.9 | -158.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | V466 N588 V661 | V466-G683 CarbonylContact O-C 3.37Å; V466-G683 WeakPolarHBondContact O-CA 3.2Å; N588-G683 CarbonylContact C-O 3.49Å; N588-G683 WeakPolarHBondContact CA-O 3.06Å; N588-G683 PolarHBondContact N-O 2.89Å; N588-G683 PolarHBondContact O-N 3.11Å; N588-G683 VanDerWaalsContact O-O 3.05Å; V661-G683 WeakPolarHBondContact CG1-O 3.35Å |
| 684 | F | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 161.4 | 176.8 | 61.2 | -87.1 | 0 | 0 | 0 | 111.6 | I339 V466 Y505 V507 I585 Q586 V659 V661 L686 | I339-F684 HydrophobicContact CG2-CZ 4.24Å; V466-F684 HydrophobicContact CB-CD1 4.14Å; V466-F684 HydrophobicContact CB-CD2 4.46Å; V466-F684 HydrophobicContact CB-CE1 3.72Å; V466-F684 HydrophobicContact CB-CE2 4.07Å; V466-F684 HydrophobicContact CB-CG 4.49Å; V466-F684 HydrophobicContact CB-CZ 3.68Å; V466-F684 HydrophobicContact CG1-CE1 3.9Å; V466-F684 HydrophobicContact CG1-CZ 4.06Å; V466-F684 HydrophobicContact CG2-CD2 4.3Å; V466-F684 HydrophobicContact CG2-CE1 4.06Å; V466-F684 HydrophobicContact CG2-CE2 3.6Å; V466-F684 HydrophobicContact CG2-CZ 3.47Å; V466-F684 VanDerWaalsContact CG2-CZ 3.47Å; V466-F684 PolarHBondContact N-O 3.48Å; V466-F684 PolarHBondContact O-N 2.9Å; Y505-F684 HydrophobicContact CD1-CE1 4.38Å; Y505-F684 AromaticContact CD2-CE1 3.78Å; Y505-F684 HydrophobicContact CD2-CE1 3.78Å; Y505-F684 HydrophobicContact CE2-CE1 4.41Å; Y505-F684 AromaticContact CG-CE1 3.75Å; Y505-F684 HydrophobicContact CG-CE1 3.75Å; Y505-F684 HydrophobicContact CG-CZ 4.34Å; V507-F684 HydrophobicContact CG2-CE1 4.46Å; V507-F684 HydrophobicContact CG2-CE2 3.83Å; V507-F684 HydrophobicContact CG2-CZ 3.54Å; I585-F684 HydrophobicContact CG2-CB 4.2Å; I585-F684 HydrophobicContact CG2-CD2 4.08Å; I585-F684 HydrophobicContact CG2-CG 4.37Å; Q586-F684 CarbonylContact O-C 3.59Å; Q586-F684 WeakPolarHBondContact O-CA 3.37Å; Q586-F684 WeakPolarHBondContact O-CB 3.44Å; V659-F684 HydrophobicContact CB-CD1 4.23Å; V659-F684 HydrophobicContact CB-CE1 4.14Å; V659-F684 HydrophobicContact CG1-CB 4.4Å; V659-F684 HydrophobicContact CG1-CD1 3.51Å; V659-F684 HydrophobicContact CG1-CE1 3.92Å; V659-F684 HydrophobicContact CG1-CG 3.99Å; V661-F684 HydrophobicContact CG1-CD1 4.43Å; F684-L686 HydrophobicContact CD2-CD2 4.2Å; F684-L686 HydrophobicContact CD2-CG 4.48Å; F684-L686 HydrophobicContact CE2-CD2 4.1Å; F684-L686 HydrophobicContact CE2-CG 4.24Å |
| 685 | F | 98.9 | Very high | 98.2 | Very high | 42 Ų | 42 | 44.4 Ų | 44.4 | 18% | 0.184 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 137.4 | 174.5 | -61.2 | -99 | 0 | 0 | 0 | 110.4 | Y459 V463 V464 E465 I585 Q586 R687 | Y459-F685 HydrophobicContact CE2-CE1 4.44Å; V463-F685 HydrophobicContact CG1-CB 4.43Å; V463-F685 HydrophobicContact CG1-CD1 3.89Å; V464-F685 CarbonylContact O-C 3.56Å; V464-F685 VanDerWaalsContact O-CA 3.25Å; V464-F685 WeakPolarHBondContact O-CA 3.25Å; E465-F685 HydrophobicContact CB-CD1 3.61Å; E465-F685 HydrophobicContact CB-CE1 3.55Å; E465-F685 HydrophobicContact CB-CG 4.45Å; E465-F685 HydrophobicContact CB-CZ 4.31Å; E465-F685 HydrophobicContact CG-CD1 3.84Å; E465-F685 HydrophobicContact CG-CE1 3.42Å; E465-F685 VanDerWaalsContact CG-CE1 3.42Å; E465-F685 HydrophobicContact CG-CE2 4.3Å; E465-F685 HydrophobicContact CG-CG 4.44Å; E465-F685 HydrophobicContact CG-CZ 3.67Å; E465-F685 VanDerWaalsContact OE2-CE1 3.27Å; E465-F685 WeakPolarHBondContact OE2-CE1 3.02Å; I585-F685 CarbonylContact C-O 3.45Å; I585-F685 WeakPolarHBondContact CA-O 3.25Å; Q586-F685 HydrophobicContact CB-CB 4.31Å; Q586-F685 PolarHBondContact N-O 3.2Å; Q586-F685 PolarHBondContact O-N 3.37Å; F685-R687 HydrophobicContact CB-CG 3.86Å |
| 686 | L | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 115 | 159.9 | -59.2 | -174.8 | 0 | 0 | 0 | 108.3 | I339 V463 V464 V507 L509 Y583 R584 I585 F684 | I339-L686 HydrophobicContact CD1-CD1 3.49Å; I339-L686 VanDerWaalsContact CD1-CD1 3.49Å; I339-L686 HydrophobicContact CG1-CD1 4.45Å; V463-L686 WeakPolarHBondContact CA-O 3.24Å; V464-L686 HydrophobicContact CB-CB 4.4Å; V464-L686 PolarHBondContact N-O 3.43Å; V464-L686 PolarHBondContact O-N 3.34Å; V507-L686 HydrophobicContact CG1-CD1 3.98Å; V507-L686 HydrophobicContact CG1-CD2 4.06Å; L509-L686 HydrophobicContact CD2-CD1 3.92Å; L509-L686 HydrophobicContact CD2-CD2 4.46Å; Y583-L686 HydrophobicContact CD1-CB 4.08Å; R584-L686 WeakPolarHBondContact O-CA 3.04Å; I585-L686 HydrophobicContact CB-CD2 4.46Å; I585-L686 HydrophobicContact CD1-CD2 4.26Å; I585-L686 HydrophobicContact CG1-CD2 3.7Å; F684-L686 HydrophobicContact CD2-CD2 4.2Å; F684-L686 HydrophobicContact CD2-CG 4.48Å; F684-L686 HydrophobicContact CE2-CD2 4.1Å; F684-L686 HydrophobicContact CE2-CG 4.24Å |
| 687 | R | 98.8 | Very high | 98.1 | Very high | 93 Ų | 93 | 43 Ų | 43 | 35% | 0.351 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 133.3 | -176.4 | -57.4 | -177.6 | 58.3 | 174.4 | 1.4 | 111.3 | V463 Y583 R584 Q586 F685 F689 | V463-R687 HydrophobicContact CG1-CG 4.04Å; V463-R687 HydrophobicContact CG2-CB 4.22Å; V463-R687 HydrophobicContact CG2-CG 3.98Å; Y583-R687 CarbonylContact C-O 3.48Å; Y583-R687 WeakPolarHBondContact CA-O 3.2Å; R584-R687 HydrophobicContact CG-CB 3.89Å; R584-R687 PolarHBondContact N-O 3.25Å; R584-R687 PolarHBondContact O-N 2.65Å; Q586-R687 VanDerWaalsContact OE1-CD 3.26Å; F685-R687 HydrophobicContact CB-CG 3.86Å; R687-F689 PolarHBondContact O-N 2.75Å |
| 688 | P | 98.8 | Very high | 98.1 | Very high | 34 Ų | 34 | 44.6 Ų | 44.6 | 22% | 0.221 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 134.7 | 174.3 | 25.7 | -31.5 | 0 | 0 | 0 | 109.5 | G462 Y583 F691 F692 | G462-P688 WeakPolarHBondContact O-CD 3.4Å; Y583-P688 HydrophobicContact CE1-CB 4.15Å; Y583-P688 HydrophobicContact CE1-CG 4.49Å; Y583-P688 HydrophobicContact CE2-CB 3.98Å; P688-F691 HydrophobicContact CB-CB 3.9Å; P688-F692 HydrophobicContact CB-CD2 3.8Å; P688-F692 HydrophobicContact CB-CE2 3.72Å; P688-F692 HydrophobicContact CG-CD2 4.18Å; P688-F692 HydrophobicContact CG-CE2 4.01Å |
| 689 | F | 98.5 | Very high | 98 | Very high | 47 Ų | 47 | 43.5 Ų | 43.5 | 21% | 0.206 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 102.5 | 176.8 | -173 | -104.1 | 0 | 0 | 0 | 108.7 | I521 Y565 H567 G582 R687 F691 | I521-F689 HydrophobicContact CD1-CE1 3.86Å; I521-F689 HydrophobicContact CD1-CZ 4.23Å; Y565-F689 HydrophobicContact CD1-CE2 4.36Å; Y565-F689 HydrophobicContact CE1-CD2 4.41Å; Y565-F689 AromaticContact CE1-CE2 3.94Å; Y565-F689 HydrophobicContact CE1-CE2 3.94Å; Y565-F689 HydrophobicContact CE1-CZ 4.47Å; H567-F689 AromaticContact CD2-CD1 3.78Å; H567-F689 AromaticContact CE1-CD1 3.69Å; H567-F689 AromaticContact NE2-CD1 3.45Å; H567-F689 WeakPolarHBondContact NE2-CD1 3.47Å; G582-F689 CarbonylContact C-O 3.53Å; G582-F689 PolarHBondContact N-O 3.48Å; G582-F689 CarbonylContact O-C 3.55Å; G582-F689 PolarHBondContact O-N 3.25Å; R687-F689 PolarHBondContact O-N 2.75Å; F689-F691 PolarHBondContact O-N 3Å |
| 690 | N | 98.4 | Very high | 98 | Very high | 51 Ų | 51 | 42 Ų | 42 | 27% | 0.273 | 23% | 0.229 | S | C | . | . | B | Isolated β-bridge | trans | 57.7 | 12.9 | -170.2 | -58.9 | -53.3 | 0 | 0 | 0 | 115 | N575 H579 | N575-N690 WeakPolarHBondContact CB-O 3.49Å; N575-N690 PolarHBondContact ND2-O 3.02Å; N575-N690 VanDerWaalsContact ND2-O 3.12Å; H579-N690 HydrophobicContact CB-CB 3.73Å |
| 691 | F | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 0% | 0.004 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -63.7 | -49.3 | 175 | -171.2 | -89.8 | 0 | 0 | 0 | 112.4 | E333 I335 I511 V512 K581 G582 Y583 P688 F689 | E333-F691 HydrophobicContact CB-CE1 4.36Å; E333-F691 HydrophobicContact CB-CZ 4.04Å; E333-F691 WeakPolarHBondContact OE2-CZ 3.23Å; I335-F691 HydrophobicContact CG1-CZ 4.45Å; I511-F691 HydrophobicContact CG2-CD2 3.86Å; I511-F691 HydrophobicContact CG2-CE2 3.79Å; V512-F691 HydrophobicContact CG2-CD2 4.36Å; V512-F691 HydrophobicContact CG2-CE2 3.44Å; V512-F691 VanDerWaalsContact CG2-CE2 3.44Å; V512-F691 HydrophobicContact CG2-CZ 3.71Å; K581-F691 HydrophobicContact CB-CD2 4.11Å; K581-F691 WeakPolarHBondContact CD-O 3.23Å; K581-F691 VanDerWaalsContact CE-O 3.32Å; K581-F691 WeakPolarHBondContact CE-O 3.37Å; K581-F691 WeakPolarHBondContact CG-O 3.21Å; G582-F691 WeakPolarHBondContact O-CB 3.37Å; Y583-F691 HydrophobicContact CD2-CB 4.29Å; Y583-F691 AromaticContact CD2-CD2 3.66Å; Y583-F691 HydrophobicContact CD2-CD2 3.66Å; Y583-F691 HydrophobicContact CD2-CE2 4.18Å; Y583-F691 HydrophobicContact CD2-CG 4.06Å; Y583-F691 HydrophobicContact CE2-CB 4Å; Y583-F691 HydrophobicContact CE2-CD1 4.03Å; Y583-F691 AromaticContact CE2-CD2 3.51Å; Y583-F691 HydrophobicContact CE2-CD2 3.51Å; Y583-F691 HydrophobicContact CE2-CE1 4.38Å; Y583-F691 AromaticContact CE2-CE2 3.89Å; Y583-F691 HydrophobicContact CE2-CE2 3.89Å; Y583-F691 AromaticContact CE2-CG 3.57Å; Y583-F691 HydrophobicContact CE2-CG 3.57Å; Y583-F691 HydrophobicContact CE2-CZ 4.32Å; P688-F691 HydrophobicContact CB-CB 3.9Å; F689-F691 PolarHBondContact O-N 3Å |
| 692 | F | 98.4 | Very high | 97.8 | Very high | 38 Ų | 38 | 47.5 Ų | 47.5 | 17% | 0.167 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -93 | 164.9 | 176.8 | -56.4 | -72.6 | 0 | 0 | 0 | 111.1 | F330 P688 E694 P696 | F330-F692 HydrophobicContact CB-CZ 4.32Å; F330-F692 AromaticContact CD1-CE1 3.77Å; F330-F692 HydrophobicContact CD1-CE1 3.77Å; F330-F692 HydrophobicContact CD1-CE2 4.41Å; F330-F692 AromaticContact CD1-CZ 3.42Å; F330-F692 HydrophobicContact CD1-CZ 3.42Å; F330-F692 VanDerWaalsContact CD1-CZ 3.42Å; F330-F692 HydrophobicContact CE1-CE1 4.28Å; F330-F692 AromaticContact CE1-CZ 3.99Å; F330-F692 HydrophobicContact CE1-CZ 3.99Å; F330-F692 HydrophobicContact CG-CZ 4.07Å; P688-F692 HydrophobicContact CB-CD2 3.8Å; P688-F692 HydrophobicContact CB-CE2 3.72Å; P688-F692 HydrophobicContact CG-CD2 4.18Å; P688-F692 HydrophobicContact CG-CE2 4.01Å; F692-E694 VanDerWaalsContact C-N 3.32Å; F692-E694 WeakPolarHBondContact CB-O 3.5Å; F692-P696 HydrophobicContact CD1-CB 4.34Å; F692-P696 HydrophobicContact CD2-CB 4.2Å; F692-P696 HydrophobicContact CD2-CG 3.62Å; F692-P696 HydrophobicContact CE1-CB 4.42Å; F692-P696 HydrophobicContact CE2-CB 4.29Å; F692-P696 HydrophobicContact CE2-CG 3.69Å; F692-P696 HydrophobicContact CG-CB 4.23Å; F692-P696 HydrophobicContact CG-CG 4.13Å; F692-P696 HydrophobicContact CZ-CB 4.41Å; F692-P696 HydrophobicContact CZ-CG 4.23Å |
| 693 | N | 98.3 | Very high | 97.7 | Very high | 79 Ų | 79 | 48 Ų | 48 | 42% | 0.422 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -76.2 | -23.6 | 174.8 | -65 | -33.8 | 0 | 0 | 0 | 112.5 | K576 W577 | K576-N693 HydrophobicContact CB-CB 4.32Å; K576-N693 VanDerWaalsContact CB-OD1 3.29Å; K576-N693 WeakPolarHBondContact CB-OD1 3.39Å; K576-N693 PolarHBondContact N-OD1 3.09Å; W577-N693 PolarHBondContact NE1-O 3Å |
| 694 | E | 98.3 | Very high | 97.7 | Very high | 142 Ų | 142 | 49.1 Ų | 49.1 | 66% | 0.664 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -160.4 | -179 | 178.2 | 56.5 | -173.6 | 172.4 | 0 | 0 | 108.6 | F692 P696 L698 | F692-E694 VanDerWaalsContact C-N 3.32Å; F692-E694 WeakPolarHBondContact CB-O 3.5Å; E694-P696 WeakPolarHBondContact O-CD 3.46Å; E694-L698 HydrophobicContact CB-CD1 4.18Å; E694-L698 HydrophobicContact CG-CD1 3.85Å |
| 695 | D | 98.4 | Very high | 97.6 | Very high | 56 Ų | 56 | 50.5 Ų | 50.5 | 30% | 0.299 | 27% | 0.267 | S | S | . | . | trans | -59.5 | 116.8 | 177.2 | 172.5 | 15.6 | 0 | 0 | 0 | 110.8 | R417 S697 L698 | R417-D695 WeakPolarHBondContact CD-OD2 3.42Å; R417-D695 IonicContact NE-OD2 3.39Å; R417-D695 PolarHBondContact NE-OD2 3.42Å; D695-S697 PolarHBondContact O-N 2.97Å; D695-S697 VanDerWaalsContact O-N 3.15Å; D695-S697 VanDerWaalsContact OD1-CB 3.27Å; D695-S697 WeakPolarHBondContact OD1-CB 3.14Å; D695-S697 PolarHBondContact OD1-N 2.86Å; D695-S697 PolarHBondContact OD1-OG 3.25Å; D695-S697 VanDerWaalsContact OD1-OG 3.13Å; D695-S697 PolarHBondContact OD2-OG 3.26Å; D695-L698 HydrophobicContact CB-CD1 4.45Å; D695-L698 HydrophobicContact CB-CG 4.32Å; D695-L698 WeakPolarHBondContact O-CB 3.43Å; D695-L698 WeakPolarHBondContact O-CD1 3.38Å; D695-L698 VanDerWaalsContact O-CG 3.24Å; D695-L698 WeakPolarHBondContact O-CG 3.45Å; D695-L698 PolarHBondContact O-N 3.01Å; D695-L698 VanDerWaalsContact O-N 3.15Å | ||
| 696 | P | 97.9 | Very high | 97.6 | Very high | 23 Ų | 23 | 49.8 Ų | 49.8 | 15% | 0.149 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -66.5 | -16.7 | -179 | 28.5 | -36 | 0 | 0 | 0 | 113.1 | F330 N461 F692 E694 L698 A699 | F330-P696 HydrophobicContact CE1-CB 3.56Å; F330-P696 HydrophobicContact CE1-CG 4.07Å; F330-P696 HydrophobicContact CZ-CB 3.99Å; F330-P696 HydrophobicContact CZ-CG 4.25Å; N461-P696 VanDerWaalsContact C-CG 3.46Å; N461-P696 WeakPolarHBondContact O-CG 3.46Å; F692-P696 HydrophobicContact CD1-CB 4.34Å; F692-P696 HydrophobicContact CD2-CB 4.2Å; F692-P696 HydrophobicContact CD2-CG 3.62Å; F692-P696 HydrophobicContact CE1-CB 4.42Å; F692-P696 HydrophobicContact CE2-CB 4.29Å; F692-P696 HydrophobicContact CE2-CG 3.69Å; F692-P696 HydrophobicContact CG-CB 4.23Å; F692-P696 HydrophobicContact CG-CG 4.13Å; F692-P696 HydrophobicContact CZ-CB 4.41Å; F692-P696 HydrophobicContact CZ-CG 4.23Å; E694-P696 WeakPolarHBondContact O-CD 3.46Å; P696-L698 PolarHBondContact O-N 3.36Å; P696-L698 VanDerWaalsContact O-N 3.15Å; P696-A699 PolarHBondContact O-N 3.26Å |
| 697 | S | 97.5 | Very high | 97.5 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.014 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -66.7 | -11.8 | 175.1 | 89.8 | 0 | 0 | 0 | 0 | 113.4 | R417 D695 A699 S700 | R417-S697 PolarHBondContact NE-OG 2.99Å; R417-S697 VanDerWaalsContact NE-OG 3.14Å; D695-S697 PolarHBondContact O-N 2.97Å; D695-S697 VanDerWaalsContact O-N 3.15Å; D695-S697 VanDerWaalsContact OD1-CB 3.27Å; D695-S697 WeakPolarHBondContact OD1-CB 3.14Å; D695-S697 PolarHBondContact OD1-N 2.86Å; D695-S697 PolarHBondContact OD1-OG 3.25Å; D695-S697 VanDerWaalsContact OD1-OG 3.13Å; D695-S697 PolarHBondContact OD2-OG 3.26Å; S697-A699 PolarHBondContact O-N 2.73Å; S697-S700 WeakPolarHBondContact O-CB 3.16Å; S697-S700 PolarHBondContact O-N 2.73Å |
| 698 | L | 97.3 | Very high | 97.4 | Very high | 86 Ų | 86 | 53.8 Ų | 53.8 | 45% | 0.45 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -60.5 | -23.5 | 174.3 | -70.4 | 171.3 | 0 | 0 | 0 | 112.8 | E694 D695 P696 S700 | E694-L698 HydrophobicContact CB-CD1 4.18Å; E694-L698 HydrophobicContact CG-CD1 3.85Å; D695-L698 HydrophobicContact CB-CD1 4.45Å; D695-L698 HydrophobicContact CB-CG 4.32Å; D695-L698 WeakPolarHBondContact O-CB 3.43Å; D695-L698 WeakPolarHBondContact O-CD1 3.38Å; D695-L698 VanDerWaalsContact O-CG 3.24Å; D695-L698 WeakPolarHBondContact O-CG 3.45Å; D695-L698 PolarHBondContact O-N 3.01Å; D695-L698 VanDerWaalsContact O-N 3.15Å; P696-L698 PolarHBondContact O-N 3.36Å; P696-L698 VanDerWaalsContact O-N 3.15Å; L698-S700 PolarHBondContact O-N 3.44Å |
| 699 | A | 95.6 | Very high | 97 | Very high | 86 Ų | 86 | 53 Ų | 53 | 71% | 0.711 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -70.2 | -14.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | P696 S697 K701 | P696-A699 PolarHBondContact O-N 3.26Å; S697-A699 PolarHBondContact O-N 2.73Å; A699-K701 PolarHBondContact O-N 3.04Å |
| 700 | S | 95.8 | Very high | 96.5 | Very high | 36 Ų | 36 | 61.2 Ų | 61.2 | 25% | 0.252 | 33% | 0.327 | S | S | . | . | trans | -69 | 122.9 | -178.4 | -178.4 | 0 | 0 | 0 | 0 | 112.5 | S697 L698 S702 T703 | S697-S700 WeakPolarHBondContact O-CB 3.16Å; S697-S700 PolarHBondContact O-N 2.73Å; L698-S700 PolarHBondContact O-N 3.44Å; S700-S702 PolarHBondContact O-N 2.8Å; S700-S702 PolarHBondContact OG-N 3.13Å; S700-T703 PolarHBondContact O-OG1 2.62Å | ||
| 701 | K | 95.1 | Very high | 96 | Very high | 144 Ų | 144 | 64.2 Ų | 64.2 | 63% | 0.626 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -10.3 | 173.4 | -67.2 | -175.3 | -179.1 | 177.1 | 0 | 113.5 | A699 T703 W719 T720 | A699-K701 PolarHBondContact O-N 3.04Å; K701-T703 PolarHBondContact O-N 3.29Å; K701-W719 HydrophobicContact CB-CB 3.74Å; K701-W719 HydrophobicContact CD-CB 4.47Å; K701-W719 HydrophobicContact CG-CB 4.05Å; K701-W719 WeakPolarHBondContact O-CB 3.48Å; K701-T720 HydrophobicContact CB-CG2 4.22Å |
| 702 | S | 93.9 | Very high | 95.1 | Very high | 32 Ų | 32 | 67.5 Ų | 67.5 | 22% | 0.224 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | 0.2 | 176.8 | -55.9 | 0 | 0 | 0 | 0 | 113.6 | S700 | S700-S702 PolarHBondContact O-N 2.8Å; S700-S702 PolarHBondContact OG-N 3.13Å |
| 703 | T | 96.9 | Very high | 94.7 | Very high | 12 Ų | 12 | 72.5 Ų | 72.5 | 7% | 0.074 | 40% | 0.399 | C | S | . | . | trans | -65.2 | 135.1 | 175.4 | -58.5 | 0 | 0 | 0 | 0 | 110.5 | R417 S700 K701 I705 | R417-T703 PolarHBondContact NH2-OG1 2.83Å; S700-T703 PolarHBondContact O-OG1 2.62Å; K701-T703 PolarHBondContact O-N 3.29Å; T703-I705 HydrophobicContact CG2-CG1 4.12Å | ||
| 704 | V | 97.6 | Very high | 94.6 | Very high | 25 Ų | 25 | 72.8 Ų | 72.8 | 15% | 0.152 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 131.1 | 172.8 | -175.9 | 0 | 0 | 0 | 0 | 109.2 | G432 G433 V706 V716 R718 | G432-V704 WeakPolarHBondContact CA-O 3.42Å; G433-V704 PolarHBondContact N-O 2.97Å; G433-V704 PolarHBondContact O-N 3.23Å; V704-V706 HydrophobicContact CG1-CG2 4.4Å; V704-V716 HydrophobicContact CG1-CG1 3.89Å; V704-R718 HydrophobicContact CG1-CG 4.37Å; V704-R718 HydrophobicContact CG2-CG 4.31Å |
| 705 | I | 98.1 | Very high | 94.5 | Very high | 31 Ų | 31 | 73.4 Ų | 73.4 | 16% | 0.159 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 132.4 | 173.6 | -55 | 178.9 | 0 | 0 | 0 | 109.2 | F431 T703 R707 Q717 W719 | F431-I705 CarbonylContact O-C 3.38Å; F431-I705 VanDerWaalsContact O-CA 3.29Å; F431-I705 WeakPolarHBondContact O-CA 3.23Å; F431-I705 WeakPolarHBondContact O-CG2 3.31Å; T703-I705 HydrophobicContact CG2-CG1 4.12Å; I705-R707 HydrophobicContact CG2-CG 4.3Å; I705-Q717 HydrophobicContact CB-CB 4.35Å; I705-Q717 PolarHBondContact N-O 3.01Å; I705-Q717 PolarHBondContact O-N 3.02Å; I705-W719 HydrophobicContact CD1-CH2 4.11Å; I705-W719 HydrophobicContact CD1-CZ3 4.42Å |
| 706 | V | 98.1 | Very high | 94.4 | Very high | 27 Ų | 27 | 74.1 Ų | 74.1 | 16% | 0.164 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 129.7 | 176.3 | -173.7 | 0 | 0 | 0 | 0 | 108.9 | Y428 F430 F431 V704 P714 K715 V716 | Y428-V706 HydrophobicContact CE2-CG1 4.21Å; F430-V706 CarbonylContact C-O 3.58Å; F430-V706 WeakPolarHBondContact CA-O 3.25Å; F430-V706 WeakPolarHBondContact CB-O 3.44Å; F431-V706 HydrophobicContact CB-CB 4.28Å; F431-V706 HydrophobicContact CD1-CG2 4.12Å; F431-V706 PolarHBondContact N-O 2.93Å; F431-V706 PolarHBondContact O-N 3.49Å; V704-V706 HydrophobicContact CG1-CG2 4.4Å; V706-P714 HydrophobicContact CG1-CB 3.66Å; V706-K715 WeakPolarHBondContact CA-O 3.42Å; V706-V716 HydrophobicContact CG2-CG1 4.41Å; V706-V716 HydrophobicContact CG2-CG2 4.25Å |
| 707 | R | 97.9 | Very high | 94.3 | Very high | 110 Ų | 110 | 76.4 Ų | 76.4 | 42% | 0.415 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 154.8 | 176.2 | -64.2 | -169 | -176.6 | 81.6 | -2.5 | 111.1 | F430 I705 G709 K715 | F430-R707 HydrophobicContact CB-CG 3.96Å; I705-R707 HydrophobicContact CG2-CG 4.3Å; R707-G709 PolarHBondContact O-N 2.88Å; R707-K715 PolarHBondContact N-O 2.85Å; R707-K715 PolarHBondContact O-N 2.9Å |
| 708 | P | 95.6 | Very high | 94.2 | Very high | 67 Ų | 67 | 81.3 Ų | 81.3 | 44% | 0.435 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 130.3 | 167.3 | -20.5 | 31.9 | 0 | 0 | 0 | 111 | Y428 N429 | Y428-P708 HydrophobicContact CE1-CG 4.43Å; Y428-P708 HydrophobicContact CE2-CG 4.25Å; Y428-P708 WeakPolarHBondContact O-CG 3.41Å; N429-P708 WeakPolarHBondContact O-CD 3.37Å |
| 709 | G | 91.4 | Very high | 94.1 | Very high | 19 Ų | 19 | 83.5 Ų | 83.5 | 20% | 0.196 | 44% | 0.441 | C | S | . | . | trans | -79.6 | 161.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R707 D711 G712 K713 | R707-G709 PolarHBondContact O-N 2.88Å; G709-D711 PolarHBondContact O-N 2.91Å; G709-G712 PolarHBondContact O-N 2.9Å; G709-K713 WeakPolarHBondContact CA-O 3.45Å; G709-K713 PolarHBondContact N-O 3.44Å | ||
| 710 | Q | 86.4 | Confident | 93.9 | Very high | 218 Ų | 218 | 81.9 Ų | 81.9 | 100% | 1.019 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -22.2 | 176.2 | -69.8 | -178.3 | -18.4 | 0 | 0 | 112.6 | G712 | Q710-G712 VanDerWaalsContact C-N 3.32Š|
| 711 | D | 88.6 | Confident | 93.5 | Very high | 115 Ų | 115 | 83.6 Ų | 83.6 | 62% | 0.615 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 6.4 | 176.8 | 65.7 | -20.7 | 0 | 0 | 0 | 113.2 | G709 K713 | G709-D711 PolarHBondContact O-N 2.91Å; D711-K713 PolarHBondContact O-N 2.85Å; D711-K713 PolarHBondContact OD1-N 2.73Å; D711-K713 VanDerWaalsContact OD1-N 3.09Å; D711-K713 WeakPolarHBondContact OD2-CD 3.38Å |
| 712 | G | 79.6 | Confident | 92.9 | Very high | 69 Ų | 69 | 84 Ų | 84 | 71% | 0.711 | 44% | 0.437 | S | S | * | . | S | Bend | trans | 78.9 | -2.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | G709 Q710 | G709-G712 PolarHBondContact O-N 2.9Å; Q710-G712 VanDerWaalsContact C-N 3.32Å |
| 713 | K | 90.9 | Very high | 92.3 | Very high | 143 Ų | 143 | 88 Ų | 88 | 62% | 0.622 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -90.4 | 146.4 | 177 | -63.9 | -176.9 | -176.4 | 173.4 | 0 | 111.4 | G709 D711 K715 | G709-K713 WeakPolarHBondContact CA-O 3.45Å; G709-K713 PolarHBondContact N-O 3.44Å; D711-K713 PolarHBondContact O-N 2.85Å; D711-K713 PolarHBondContact OD1-N 2.73Å; D711-K713 VanDerWaalsContact OD1-N 3.09Å; D711-K713 WeakPolarHBondContact OD2-CD 3.38Å; K713-K715 PolarHBondContact O-N 2.78Å |
| 714 | P | 95.3 | Very high | 91.3 | Very high | 86 Ų | 86 | 90.6 Ų | 90.6 | 56% | 0.558 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 127.8 | 174.1 | -22 | 33.6 | 0 | 0 | 0 | 112.1 | Y428 V706 | Y428-P714 WeakPolarHBondContact OH-CB 3.24Å; V706-P714 HydrophobicContact CG1-CB 3.66Å |
| 715 | K | 96 | Very high | 90.4 | Very high | 155 Ų | 155 | 91.3 Ų | 91.3 | 67% | 0.674 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 113.4 | 169.4 | -175.6 | 175.2 | -179.1 | 175 | 0 | 109.6 | V706 R707 K713 | V706-K715 WeakPolarHBondContact CA-O 3.42Å; R707-K715 PolarHBondContact N-O 2.85Å; R707-K715 PolarHBondContact O-N 2.9Å; K713-K715 PolarHBondContact O-N 2.78Å |
| 716 | V | 96.4 | Very high | 89.1 | Confident | 71 Ų | 71 | 99 Ų | 99 | 43% | 0.43 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 126.4 | 177.5 | -171.4 | 0 | 0 | 0 | 0 | 109.7 | V704 V706 R718 | V704-V716 HydrophobicContact CG1-CG1 3.89Å; V706-V716 HydrophobicContact CG2-CG1 4.41Å; V706-V716 HydrophobicContact CG2-CG2 4.25Å; V716-R718 HydrophobicContact CG1-CG 4.06Å |
| 717 | Q | 96.7 | Very high | 88.1 | Confident | 70 Ų | 70 | 99.9 Ų | 99.9 | 33% | 0.327 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 124.7 | 174.5 | -178.2 | 178.1 | 9.2 | 0 | 0 | 109.1 | I705 W719 | I705-Q717 HydrophobicContact CB-CB 4.35Å; I705-Q717 PolarHBondContact N-O 3.01Å; I705-Q717 PolarHBondContact O-N 3.02Å; Q717-W719 HydrophobicContact CG-CH2 3.78Å; Q717-W719 HydrophobicContact CG-CZ2 4.13Å; Q717-W719 HydrophobicContact CG-CZ3 4.05Å |
| 718 | R | 95.6 | Very high | 87 | Confident | 106 Ų | 106 | 100.4 Ų | 100.4 | 40% | 0.4 | 55% | 0.545 | S | S | . | . | trans | -136.1 | 159.6 | 178.6 | -64.1 | 177.2 | 177.4 | -94.5 | 1 | 109.8 | V704 V716 | V704-R718 HydrophobicContact CG1-CG 4.37Å; V704-R718 HydrophobicContact CG2-CG 4.31Å; V716-R718 HydrophobicContact CG1-CG 4.06Å | ||
| 719 | W | 95.5 | Very high | 86 | Confident | 131 Ų | 131 | 100 Ų | 100 | 50% | 0.496 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -120.4 | 4.1 | 170.6 | -65.7 | -99 | 0 | 0 | 0 | 112.8 | K701 I705 Q717 | K701-W719 HydrophobicContact CB-CB 3.74Å; K701-W719 HydrophobicContact CD-CB 4.47Å; K701-W719 HydrophobicContact CG-CB 4.05Å; K701-W719 WeakPolarHBondContact O-CB 3.48Å; I705-W719 HydrophobicContact CD1-CH2 4.11Å; I705-W719 HydrophobicContact CD1-CZ3 4.42Å; Q717-W719 HydrophobicContact CG-CH2 3.78Å; Q717-W719 HydrophobicContact CG-CZ2 4.13Å; Q717-W719 HydrophobicContact CG-CZ3 4.05Å |
| 720 | T | 90.4 | Very high | 85.5 | Confident | 53 Ų | 53 | 106.3 Ų | 106.3 | 33% | 0.325 | 57% | 0.57 | S | S | . | * | S | Bend | trans | -119 | 160.5 | 169.6 | 52.6 | 0 | 0 | 0 | 0 | 109.2 | K701 | K701-T720 HydrophobicContact CB-CG2 4.22Š|
| 721 | P | 86.9 | Confident | 85.3 | Confident | 72 Ų | 72 | 103.9 Ų | 103.9 | 47% | 0.468 | 56% | 0.556 | S | S | . | * | trans | -53.9 | 145.8 | 175.5 | -25.7 | 35.4 | 0 | 0 | 0 | 112.4 | ||||
| 722 | E | 83.5 | Confident | 85.3 | Confident | 153 Ų | 153 | 103.9 Ų | 103.9 | 72% | 0.715 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -70.8 | -40.2 | 178 | -179.5 | 170 | -160.2 | 0 | 0 | 112.2 | ||
| 723 | V | 81.6 | Confident | 85.8 | Confident | 115 Ų | 115 | 106.5 Ų | 106.5 | 70% | 0.697 | 55% | 0.554 | S | S | * | * | trans | -105.2 | 115.5 | 176.8 | -176.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 724 | V | 75.1 | Confident | 85.9 | Confident | 67 Ų | 67 | 104.7 Ų | 104.7 | 41% | 0.406 | 55% | 0.547 | S | S | . | . | trans | -97.1 | 118.5 | 170.1 | -170 | 0 | 0 | 0 | 0 | 103.9 | P294 Q295 | P294-V724 HydrophobicContact CB-CG1 3.95Å; P294-V724 HydrophobicContact CG-CG1 3.98Å; Q295-V724 HydrophobicContact CG-CG1 4.08Å | ||
| 725 | G | 77.9 | Confident | 85.9 | Confident | 40 Ų | 40 | 105.8 Ų | 105.8 | 41% | 0.412 | 54% | 0.541 | S | S | . | . | trans | -57.7 | -175 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | P294 | P294-G725 WeakPolarHBondContact CB-O 3.35Å; P294-G725 WeakPolarHBondContact CG-O 3.38Å | ||
| 726 | H | 72 | Confident | 85.8 | Confident | 191 Ų | 191 | 101.7 Ų | 101.7 | 88% | 0.884 | 53% | 0.526 | S | S | * | . | trans | -102.1 | 131.3 | 177.9 | -58.6 | -66.3 | 0 | 0 | 0 | 110.3 | ||||
| 727 | C | 75.8 | Confident | 85.6 | Confident | 46 Ų | 46 | 100.4 Ų | 100.4 | 31% | 0.311 | 53% | 0.528 | S | S | . | . | trans | -137.7 | 145.6 | 163.5 | 74.4 | 0 | 0 | 0 | 0 | 109.2 | V292 P294 | V292-C727 WeakPolarHBondContact CB-O 3.34Å; V292-C727 WeakPolarHBondContact CG1-O 3.48Å; P294-C727 WeakPolarHBondContact CA-SG 3.19Å | ||
| 728 | V | 75.6 | Confident | 85.4 | Confident | 122 Ų | 122 | 101.4 Ų | 101.4 | 74% | 0.739 | 54% | 0.538 | S | S | * | . | trans | -137 | 140.9 | 164.8 | -175.5 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 729 | T | 74.8 | Confident | 85.2 | Confident | 58 Ų | 58 | 102.7 Ų | 102.7 | 36% | 0.356 | 54% | 0.544 | S | S | . | . | trans | -65.8 | 135.6 | 173.7 | 180 | 0 | 0 | 0 | 0 | 109.8 | E382 K731 | E382-T729 HydrophobicContact CB-CG2 3.95Å; E382-T729 HydrophobicContact CG-CG2 4.4Å; T729-K731 PolarHBondContact OG1-N 3.12Å | ||
| 730 | D | 80.4 | Confident | 84.9 | Confident | 152 Ų | 152 | 99 Ų | 99 | 81% | 0.813 | 54% | 0.542 | S | S | * | . | trans | -94.5 | -2.8 | 172.1 | 62.1 | -18.3 | 0 | 0 | 0 | 112.2 | ||||
| 731 | K | 83.7 | Confident | 84.8 | Confident | 167 Ų | 167 | 97.5 Ų | 97.5 | 73% | 0.726 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -72.9 | 125.5 | -178.1 | -62.7 | -177.5 | -177.8 | 175.5 | 0 | 110.7 | T729 | T729-K731 PolarHBondContact OG1-N 3.12Š|
| 732 | P | 87.1 | Confident | 84.8 | Confident | 114 Ų | 114 | 97.7 Ų | 97.7 | 74% | 0.74 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 158.6 | 174 | 29.4 | -34.7 | 0 | 0 | 0 | 111.1 | F734 | P732-F734 PolarHBondContact O-N 3.43Š|
| 733 | F | 91.6 | Very high | 84.8 | Confident | 124 Ų | 124 | 95 Ų | 95 | 54% | 0.544 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 137.3 | 169.5 | 177.8 | -99.9 | 0 | 0 | 0 | 110.4 | A375 P376 I378 Y735 | A375-F733 HydrophobicContact CB-CE2 4.03Å; A375-F733 HydrophobicContact CB-CZ 4.22Å; P376-F733 WeakPolarHBondContact O-CD2 3.47Å; I378-F733 HydrophobicContact CD1-CE2 4.32Å; F733-Y735 HydrophobicContact CZ-CD2 4.43Å; F733-Y735 HydrophobicContact CZ-CG 4.42Å |
| 734 | F | 91.4 | Very high | 85 | Confident | 106 Ų | 106 | 93.9 Ų | 93.9 | 47% | 0.465 | 52% | 0.519 | S | S | . | . | trans | -139.4 | 137.9 | 176 | 174.3 | -82.4 | 0 | 0 | 0 | 109.2 | P732 N736 | P732-F734 PolarHBondContact O-N 3.43Å; F734-N736 HydrophobicContact CE1-CB 3.95Å; F734-N736 HydrophobicContact CZ-CB 4.05Å | ||
| 735 | Y | 95.7 | Very high | 85.6 | Confident | 108 Ų | 108 | 95.4 Ų | 95.4 | 42% | 0.424 | 53% | 0.525 | S | S | . | . | trans | -145.3 | 133.9 | 174.4 | -164.5 | -102.6 | 0 | 0 | 0 | 108.5 | E373 A375 F733 G737 | E373-Y735 HydrophobicContact CB-CE2 3.89Å; E373-Y735 HydrophobicContact CG-CD2 4.11Å; E373-Y735 HydrophobicContact CG-CE2 3.82Å; E373-Y735 VanDerWaalsContact O-CE2 3.29Å; E373-Y735 WeakPolarHBondContact O-CE2 3.49Å; E373-Y735 PolarHBondContact O-OH 3.16Å; A375-Y735 HydrophobicContact CB-CD2 4.04Å; A375-Y735 HydrophobicContact CB-CE2 4.08Å; F733-Y735 HydrophobicContact CZ-CD2 4.43Å; F733-Y735 HydrophobicContact CZ-CG 4.42Å; Y735-G737 VanDerWaalsContact CE1-CA 3.45Å | ||
| 736 | N | 94.1 | Very high | 86 | Confident | 69 Ų | 69 | 98.6 Ų | 98.6 | 37% | 0.369 | 53% | 0.532 | S | S | . | . | trans | -93.6 | -44.6 | 177.8 | -177.5 | -85.4 | 0 | 0 | 0 | 112.1 | E373 K402 F734 T738 | E373-N736 VanDerWaalsContact CD-N 3.33Å; E373-N736 PolarHBondContact OE1-N 3.06Å; E373-N736 VanDerWaalsContact OE1-N 3.11Å; E373-N736 VanDerWaalsContact OE2-CA 3.29Å; E373-N736 WeakPolarHBondContact OE2-CA 3.19Å; E373-N736 WeakPolarHBondContact OE2-CB 3.34Å; E373-N736 PolarHBondContact OE2-N 3.06Å; K402-N736 HydrophobicContact CD-CB 4.2Å; F734-N736 HydrophobicContact CE1-CB 3.95Å; F734-N736 HydrophobicContact CZ-CB 4.05Å; N736-T738 VanDerWaalsContact C-N 3.27Å; N736-T738 PolarHBondContact O-N 3.39Å; N736-T738 WeakPolarHBondContact OD1-CB 3.35Å; N736-T738 PolarHBondContact OD1-N 2.92Å; N736-T738 VanDerWaalsContact OD1-N 3.12Å; N736-T738 PolarHBondContact OD1-OG1 3.14Å | ||
| 737 | G | 92.6 | Very high | 86.9 | Confident | 45 Ų | 45 | 92.9 Ų | 92.9 | 46% | 0.464 | 51% | 0.51 | S | S | . | . | trans | 76.7 | 1.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | E373 Y735 | E373-G737 PolarHBondContact OE2-N 3.38Å; Y735-G737 VanDerWaalsContact CE1-CA 3.45Å | ||
| 738 | T | 93.1 | Very high | 87.6 | Confident | 90 Ų | 90 | 96 Ų | 96 | 55% | 0.552 | 52% | 0.523 | S | S | * | . | trans | -115.5 | 140.9 | 179.4 | 76 | 0 | 0 | 0 | 0 | 112.5 | N736 | N736-T738 VanDerWaalsContact C-N 3.27Å; N736-T738 PolarHBondContact O-N 3.39Å; N736-T738 WeakPolarHBondContact OD1-CB 3.35Å; N736-T738 PolarHBondContact OD1-N 2.92Å; N736-T738 VanDerWaalsContact OD1-N 3.12Å; N736-T738 PolarHBondContact OD1-OG1 3.14Å | ||
| 739 | Y | 91.3 | Very high | 88.5 | Confident | 133 Ų | 133 | 94.1 Ų | 94.1 | 52% | 0.522 | 51% | 0.508 | S | S | . | . | trans | -116.5 | 130.7 | 166 | 56.3 | -86.7 | 0 | 0 | 0 | 107.8 | Y372 T399 R400 | Y372-Y739 AromaticContact CD1-CD1 3.77Å; Y372-Y739 HydrophobicContact CD1-CD1 3.77Å; Y372-Y739 HydrophobicContact CD1-CE1 4.03Å; Y372-Y739 HydrophobicContact CD1-CG 4.45Å; Y372-Y739 AromaticContact CE1-CD1 3.69Å; Y372-Y739 HydrophobicContact CE1-CD1 3.69Å; Y372-Y739 AromaticContact CE1-CE1 3.53Å; Y372-Y739 HydrophobicContact CE1-CE1 3.53Å; Y372-Y739 HydrophobicContact CE1-CG 4.31Å; T399-Y739 HydrophobicContact CG2-CD2 3.94Å; R400-Y739 WeakPolarHBondContact O-CA 3.43Å | ||
| 740 | A | 88.8 | Confident | 89.5 | Confident | 55 Ų | 55 | 96.9 Ų | 96.9 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 151.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R400 | R400-A740 PolarHBondContact N-O 2.84Å; R400-A740 PolarHBondContact O-N 3.04Å |
| 741 | G | 87.6 | Confident | 90.3 | Very high | 21 Ų | 21 | 92.3 Ų | 92.3 | 22% | 0.216 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 134.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | K397 P398 | K397-G741 PolarHBondContact NZ-O 2.85Å; P398-G741 CarbonylContact O-C 3.59Å; P398-G741 WeakPolarHBondContact O-CA 3.2Å |
| 742 | V | 86.8 | Confident | 90.9 | Very high | 76 Ų | 76 | 85.5 Ų | 85.5 | 46% | 0.461 | 47% | 0.474 | S | S | . | . | trans | -117.9 | 0 | -171.8 | -67.3 | 0 | 0 | 0 | 0 | 115.2 | V36 K40 Y390 P398 R400 | V36-V742 HydrophobicContact CG1-CG2 4.1Å; V36-V742 HydrophobicContact CG2-CG2 3.9Å; K40-V742 WeakPolarHBondContact CE-O 3.43Å; K40-V742 VanDerWaalsContact NZ-C 3.26Å; K40-V742 PolarHBondContact NZ-O 2.87Å; K40-V742 PolarHBondContact NZ-OXT 2.94Å; Y390-V742 HydrophobicContact CD1-CG2 4Å; Y390-V742 HydrophobicContact CE1-CG2 4Å; P398-V742 HydrophobicContact CB-CG2 4.27Å; P398-V742 WeakPolarHBondContact O-CG2 3.24Å; P398-V742 PolarHBondContact O-N 2.91Å; R400-V742 HydrophobicContact CB-CG1 3.84Å; R400-V742 HydrophobicContact CB-CG2 4.37Å |
Retrieved 742 of 742 residues in 1257.8 ms
(Link to these results)