| 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 | 41.1 | Very low | 46.8 | Very low | 243 Ų | 243 | 159.5 Ų | 159.5 | 100% | 1.197 | 76% | 0.762 | S | S | * | * | 0 | 7.1 | 0 | -112.5 | 178.7 | 177.2 | 0 | 0 | 115.7 | |||||
| 2 | L | 40.7 | Very low | 47.5 | Very low | 167 Ų | 167 | 155.6 Ų | 155.6 | 87% | 0.874 | 75% | 0.748 | S | S | * | * | trans | -112 | -19.5 | -175.9 | -96.9 | 80.9 | 0 | 0 | 0 | 117.7 | R4 | L2-R4 PolarHBondContact O-N 2.93Š| ||
| 3 | H | 42.8 | Very low | 48.1 | Very low | 182 Ų | 182 | 149.5 Ų | 149.5 | 84% | 0.843 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -81.2 | -3.5 | -168.9 | -109.7 | -74.3 | 0 | 0 | 0 | 116.9 | K5 | H3-K5 PolarHBondContact O-N 2.87Š|
| 4 | R | 44.5 | Very low | 48.7 | Very low | 249 Ų | 249 | 145.4 Ų | 145.4 | 94% | 0.94 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -92.8 | 8.9 | -166.3 | -129.8 | 178.8 | -170.7 | -175.8 | 2.7 | 115.9 | L2 | L2-R4 PolarHBondContact O-N 2.93Š|
| 5 | K | 44.9 | Very low | 48.9 | Very low | 178 Ų | 178 | 140.3 Ų | 140.3 | 77% | 0.774 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -119.7 | 0.1 | -175 | -73.2 | -172.9 | 175.3 | -178.5 | 0 | 116.1 | H3 T8 | H3-K5 PolarHBondContact O-N 2.87Å; K5-T8 PolarHBondContact O-OG1 3.41Å |
| 6 | C | 43.9 | Very low | 49.3 | Very low | 83 Ų | 83 | 138.6 Ų | 138.6 | 56% | 0.561 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -91.7 | -22.6 | -174.7 | -145.9 | 0 | 0 | 0 | 0 | 114.6 | ||
| 7 | W | 47 | Very low | 49.5 | Very low | 211 Ų | 211 | 134.2 Ų | 134.2 | 80% | 0.799 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -74.8 | -27.9 | -176.3 | -83 | 41.9 | 0 | 0 | 0 | 114 | L9 L10 L11 | W7-L9 VanDerWaalsContact C-N 3.26Å; W7-L9 PolarHBondContact O-N 3.08Å; W7-L10 PolarHBondContact O-N 2.69Å; W7-L11 WeakPolarHBondContact O-CB 3.39Å; W7-L11 WeakPolarHBondContact O-CG 3.17Å; W7-L11 PolarHBondContact O-N 2.96Å; W7-L11 VanDerWaalsContact O-N 3.11Å |
| 8 | T | 49.6 | Very low | 49.5 | Very low | 99 Ų | 99 | 134.7 Ų | 134.7 | 61% | 0.607 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -69.8 | -18.8 | 179.1 | 32.2 | 0 | 0 | 0 | 0 | 114.1 | K5 | K5-T8 PolarHBondContact O-OG1 3.41Å |
| 9 | L | 52.6 | Low | 49.2 | Very low | 130 Ų | 130 | 136.9 Ų | 136.9 | 68% | 0.681 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -90.1 | -28.3 | 177.3 | -84 | 154.4 | 0 | 0 | 0 | 113.4 | W7 P13 | W7-L9 VanDerWaalsContact C-N 3.26Å; W7-L9 PolarHBondContact O-N 3.08Å; L9-P13 WeakPolarHBondContact O-CD 3.48Å |
| 10 | L | 53.8 | Low | 48.5 | Very low | 127 Ų | 127 | 141.1 Ų | 141.1 | 67% | 0.665 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -81.6 | -27.2 | 170.7 | -104.2 | 100.3 | 0 | 0 | 0 | 113.2 | W7 L12 P13 L14 | W7-L10 PolarHBondContact O-N 2.69Å; L10-L12 VanDerWaalsContact C-N 3.3Å; L10-L12 PolarHBondContact O-N 3.05Å; L10-P13 VanDerWaalsContact O-CD 3.3Å; L10-P13 WeakPolarHBondContact O-CD 3.42Å; L10-P13 WeakPolarHBondContact O-CG 3.45Å; L10-L14 PolarHBondContact O-N 3Å |
| 11 | L | 54.2 | Low | 47.8 | Very low | 85 Ų | 85 | 141.9 Ų | 141.9 | 45% | 0.445 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -71.5 | -22.4 | 174.8 | -75.7 | 168.2 | 0 | 0 | 0 | 113 | W7 L14 C15 | W7-L11 WeakPolarHBondContact O-CB 3.39Å; W7-L11 WeakPolarHBondContact O-CG 3.17Å; W7-L11 PolarHBondContact O-N 2.96Å; W7-L11 VanDerWaalsContact O-N 3.11Å; L11-L14 PolarHBondContact O-N 3.35Å; L11-C15 WeakPolarHBondContact O-CB 3.16Å; L11-C15 PolarHBondContact O-N 2.92Å; L11-C15 PolarHBondContact O-SG 2.97Å |
| 12 | L | 54.9 | Low | 47.8 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 59% | 0.592 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -66 | -50.4 | 177.1 | -133.3 | 77.7 | 0 | 0 | 0 | 113.8 | L10 L14 C15 L16 | L10-L12 VanDerWaalsContact C-N 3.3Å; L10-L12 PolarHBondContact O-N 3.05Å; L12-L14 VanDerWaalsContact C-N 3.33Å; L12-L14 PolarHBondContact O-N 3.16Å; L12-C15 PolarHBondContact O-N 3.43Å; L12-L16 WeakPolarHBondContact O-CB 3.49Å; L12-L16 VanDerWaalsContact O-CG 3.3Å; L12-L16 WeakPolarHBondContact O-CG 3.34Å; L12-L16 PolarHBondContact O-N 3.07Å |
| 13 | P | 54.9 | Low | 47.6 | Very low | 76 Ų | 76 | 136.4 Ų | 136.4 | 49% | 0.494 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -67.6 | -30.8 | 174.1 | 26 | -33.9 | 0 | 0 | 0 | 112.7 | L9 L10 L16 A17 | L9-P13 WeakPolarHBondContact O-CD 3.48Å; L10-P13 VanDerWaalsContact O-CD 3.3Å; L10-P13 WeakPolarHBondContact O-CD 3.42Å; L10-P13 WeakPolarHBondContact O-CG 3.45Å; P13-L16 PolarHBondContact O-N 3.07Å; P13-A17 WeakPolarHBondContact O-CB 3.46Å; P13-A17 PolarHBondContact O-N 2.88Å |
| 14 | L | 56.5 | Low | 47.8 | Very low | 93 Ų | 93 | 129.2 Ų | 129.2 | 49% | 0.487 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -67 | -46.4 | 171.5 | -116.3 | 79.6 | 0 | 0 | 0 | 111.6 | L10 L11 L12 L16 A17 F18 | L10-L14 PolarHBondContact O-N 3Å; L11-L14 PolarHBondContact O-N 3.35Å; L12-L14 VanDerWaalsContact C-N 3.33Å; L12-L14 PolarHBondContact O-N 3.16Å; L14-L16 VanDerWaalsContact C-N 3.28Å; L14-L16 PolarHBondContact O-N 3.14Å; L14-A17 CarbonylContact O-C 3.56Å; L14-A17 WeakPolarHBondContact O-CB 3.29Å; L14-A17 PolarHBondContact O-N 2.87Å; L14-A17 VanDerWaalsContact O-N 3.09Å; L14-F18 HydrophobicContact CD2-CE2 4.3Å; L14-F18 HydrophobicContact CG-CE2 4.39Å; L14-F18 VanDerWaalsContact O-CD2 3.26Å; L14-F18 WeakPolarHBondContact O-CD2 3.47Å; L14-F18 PolarHBondContact O-N 3.4Å |
| 15 | C | 53.1 | Low | 48.4 | Very low | 69 Ų | 69 | 119.8 Ų | 119.8 | 47% | 0.466 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -63.5 | -32.9 | 175 | -76.2 | 0 | 0 | 0 | 0 | 111.9 | L11 L12 Y19 | L11-C15 WeakPolarHBondContact O-CB 3.16Å; L11-C15 PolarHBondContact O-N 2.92Å; L11-C15 PolarHBondContact O-SG 2.97Å; L12-C15 PolarHBondContact O-N 3.43Å; C15-Y19 VanDerWaalsContact O-CB 3.25Å; C15-Y19 WeakPolarHBondContact O-CB 3.2Å; C15-Y19 PolarHBondContact O-N 3.1Å |
| 16 | L | 54.7 | Low | 50 | Low | 112 Ų | 112 | 118.1 Ų | 118.1 | 59% | 0.586 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -72.9 | -29.9 | 171.6 | -73.3 | 166 | 0 | 0 | 0 | 112.9 | L12 P13 L14 R20 | L12-L16 WeakPolarHBondContact O-CB 3.49Å; L12-L16 VanDerWaalsContact O-CG 3.3Å; L12-L16 WeakPolarHBondContact O-CG 3.34Å; L12-L16 PolarHBondContact O-N 3.07Å; P13-L16 PolarHBondContact O-N 3.07Å; L14-L16 VanDerWaalsContact C-N 3.28Å; L14-L16 PolarHBondContact O-N 3.14Å; L16-R20 PolarHBondContact O-N 3.17Å; L16-R20 VanDerWaalsContact O-N 3.11Å |
| 17 | A | 53.4 | Low | 52.2 | Low | 64 Ų | 64 | 114.7 Ų | 114.7 | 53% | 0.529 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -72.2 | -36.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | P13 L14 R20 | P13-A17 WeakPolarHBondContact O-CB 3.46Å; P13-A17 PolarHBondContact O-N 2.88Å; L14-A17 CarbonylContact O-C 3.56Å; L14-A17 WeakPolarHBondContact O-CB 3.29Å; L14-A17 PolarHBondContact O-N 2.87Å; L14-A17 VanDerWaalsContact O-N 3.09Å; A17-R20 WeakPolarHBondContact O-CB 3.36Å; A17-R20 PolarHBondContact O-N 2.89Å |
| 18 | F | 48.4 | Very low | 54.1 | Low | 143 Ų | 143 | 104.7 Ų | 104.7 | 63% | 0.627 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -79.8 | -26.9 | 172.6 | -76 | -72 | 0 | 0 | 0 | 113.1 | L14 R20 Q21 | L14-F18 HydrophobicContact CD2-CE2 4.3Å; L14-F18 HydrophobicContact CG-CE2 4.39Å; L14-F18 VanDerWaalsContact O-CD2 3.26Å; L14-F18 WeakPolarHBondContact O-CD2 3.47Å; L14-F18 PolarHBondContact O-N 3.4Å; F18-R20 PolarHBondContact O-N 3.2Å; F18-Q21 VanDerWaalsContact O-CB 3.25Å; F18-Q21 WeakPolarHBondContact O-CB 3.21Å; F18-Q21 PolarHBondContact O-N 2.9Å |
| 19 | Y | 43.4 | Very low | 56 | Low | 178 Ų | 178 | 102.5 Ų | 102.5 | 70% | 0.698 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -11 | 166.6 | -105.7 | -93.4 | 0 | 0 | 0 | 113.2 | C15 Q21 | C15-Y19 VanDerWaalsContact O-CB 3.25Å; C15-Y19 WeakPolarHBondContact O-CB 3.2Å; C15-Y19 PolarHBondContact O-N 3.1Å; Y19-Q21 PolarHBondContact O-N 3.42Å |
| 20 | R | 35.3 | Very low | 57.7 | Low | 220 Ų | 220 | 96.4 Ų | 96.4 | 83% | 0.83 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | 21.3 | 164.2 | -89.1 | -176.7 | 170.7 | -177.4 | -1 | 113.1 | L16 A17 F18 D22 | L16-R20 PolarHBondContact O-N 3.17Å; L16-R20 VanDerWaalsContact O-N 3.11Å; A17-R20 WeakPolarHBondContact O-CB 3.36Å; A17-R20 PolarHBondContact O-N 2.89Å; F18-R20 PolarHBondContact O-N 3.2Å; R20-D22 VanDerWaalsContact C-N 3.26Å; R20-D22 PolarHBondContact O-N 3.29Å |
| 21 | Q | 35.3 | Very low | 59.3 | Low | 158 Ų | 158 | 92.5 Ų | 92.5 | 74% | 0.738 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -75.3 | 78.3 | 168.6 | -167.7 | 165.1 | 1.2 | 0 | 0 | 111.2 | F18 Y19 H23 | F18-Q21 VanDerWaalsContact O-CB 3.25Å; F18-Q21 WeakPolarHBondContact O-CB 3.21Å; F18-Q21 PolarHBondContact O-N 2.9Å; Y19-Q21 PolarHBondContact O-N 3.42Å; Q21-H23 PolarHBondContact O-N 2.88Å |
| 22 | D | 39.3 | Very low | 60.8 | Low | 124 Ų | 124 | 90.1 Ų | 90.1 | 66% | 0.663 | 47% | 0.473 | S | S | * | . | trans | 35.5 | 71.6 | 161.6 | -161.4 | 21.1 | 0 | 0 | 0 | 116.9 | R20 G24 | R20-D22 VanDerWaalsContact C-N 3.26Å; R20-D22 PolarHBondContact O-N 3.29Å; D22-G24 PolarHBondContact O-N 2.83Å; D22-G24 WeakPolarHBondContact OD1-CA 3.44Å; D22-G24 PolarHBondContact OD1-N 3.28Å | ||
| 23 | H | 37.1 | Very low | 62.4 | Low | 171 Ų | 171 | 86.1 Ų | 86.1 | 79% | 0.792 | 45% | 0.451 | S | S | * | . | trans | -68.4 | 23.5 | 158.9 | -72.3 | -45.6 | 0 | 0 | 0 | 112.8 | Q21 A25 | Q21-H23 PolarHBondContact O-N 2.88Å; H23-A25 PolarHBondContact O-N 2.82Å | ||
| 24 | G | 47.9 | Very low | 63.8 | Low | 30 Ų | 30 | 85.2 Ų | 85.2 | 31% | 0.309 | 46% | 0.455 | S | S | . | . | trans | -78.2 | 106.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | D22 R242 | D22-G24 PolarHBondContact O-N 2.83Å; D22-G24 WeakPolarHBondContact OD1-CA 3.44Å; D22-G24 PolarHBondContact OD1-N 3.28Å; G24-R242 PolarHBondContact O-NH1 2.86Å; G24-R242 PolarHBondContact O-NH2 3.06Å; G24-R242 VanDerWaalsContact O-NH2 3.08Å | ||
| 25 | A | 56.9 | Low | 65.1 | Low | 51 Ų | 51 | 81.6 Ų | 81.6 | 42% | 0.421 | 44% | 0.44 | S | S | . | . | trans | 42.1 | 94.7 | 157.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | H23 C27 R242 | H23-A25 PolarHBondContact O-N 2.82Å; A25-C27 PolarHBondContact O-N 2.91Å; A25-R242 PolarHBondContact O-NH1 3.21Å | ||
| 26 | R | 77.4 | Confident | 66.6 | Low | 144 Ų | 144 | 82.3 Ų | 82.3 | 54% | 0.543 | 44% | 0.439 | S | S | . | . | trans | -60.7 | 13.3 | 176.2 | -57.2 | 174 | 177.5 | -159.7 | 2.7 | 116.7 | A32 Y33 | R26-A32 HydrophobicContact CB-CB 3.92Å; R26-A32 HydrophobicContact CG-CB 4.2Å; R26-Y33 HydrophobicContact CB-CE2 4.17Å; R26-Y33 WeakPolarHBondContact O-CE2 3.34Å | ||
| 27 | C | 89.8 | Confident | 67.9 | Low | 11 Ų | 11 | 80.4 Ų | 80.4 | 7% | 0.074 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 157.2 | 174.6 | 61.4 | 0 | 0 | 0 | 0 | 111.3 | A25 V29 P72 P165 C167 | A25-C27 PolarHBondContact O-N 2.91Å; C27-V29 PolarHBondContact O-N 3.07Å; C27-V29 VanDerWaalsContact O-N 3.12Å; C27-P72 HydrophobicContact CB-CG 3.93Å; C27-P165 HydrophobicContact CB-CG 4.28Å; C27-C167 HydrophobicContact CB-CB 4.04Å; C27-C167 WeakPolarHBondContact CB-SG 3.45Å; C27-C167 PolarHBondContact O-SG 3.48Å; C27-C167 WeakPolarHBondContact SG-CA 3.17Å; C27-C167 WeakPolarHBondContact SG-CB 3.4Å; C27-C167 CovalentContact SG-SG 2.05Å; C27-C167 PolarHBondContact SG-SG 3.44Å |
| 28 | G | 88.3 | Confident | 69.1 | Low | 0 Ų | 0 | 77.8 Ų | 77.8 | 0% | 0 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 19 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | I38 P165 A243 | G28-I38 WeakPolarHBondContact O-CD1 3.17Å; G28-P165 PolarHBondContact N-O 3.35Å; G28-A243 WeakPolarHBondContact CA-O 3.45Å; G28-A243 PolarHBondContact O-N 3.34Å |
| 29 | V | 89.8 | Confident | 70.3 | Confident | 54 Ų | 54 | 77.7 Ų | 77.7 | 33% | 0.327 | 41% | 0.411 | S | S | . | . | trans | -140.3 | 86.1 | 176.8 | -173.5 | 0 | 0 | 0 | 0 | 109.2 | C27 G31 A32 R242 | C27-V29 PolarHBondContact O-N 3.07Å; C27-V29 VanDerWaalsContact O-N 3.12Å; V29-G31 PolarHBondContact O-N 3.06Å; V29-A32 HydrophobicContact CG1-CB 4.45Å; V29-A32 VanDerWaalsContact O-CB 3.31Å; V29-A32 WeakPolarHBondContact O-CB 3.41Å; V29-A32 PolarHBondContact O-N 3.49Å; V29-R242 HydrophobicContact CG2-CB 4.37Å; V29-R242 HydrophobicContact CG2-CG 4.02Å | ||
| 30 | P | 88.4 | Confident | 72 | Confident | 2 Ų | 2 | 70.7 Ų | 70.7 | 1% | 0.013 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -60.2 | -29.2 | -175.4 | -26 | 36.1 | 0 | 0 | 0 | 114.9 | A32 Y33 G34 G35 I38 Y41 P52 W53 | P30-A32 PolarHBondContact O-N 2.93Å; P30-A32 VanDerWaalsContact O-N 3.16Å; P30-Y33 CarbonylContact O-C 3.57Å; P30-Y33 PolarHBondContact O-N 2.86Å; P30-G34 PolarHBondContact O-N 2.88Å; P30-G35 PolarHBondContact O-N 3.2Å; P30-I38 VanDerWaalsContact CD-CG1 3.48Å; P30-I38 HydrophobicContact CG-CG1 4.02Å; P30-Y41 HydrophobicContact CB-CE2 4.22Å; P30-Y41 HydrophobicContact CG-CE2 4.35Å; P30-P52 HydrophobicContact CB-CG 3.69Å; P30-P52 HydrophobicContact CG-CG 3.55Å; P30-W53 HydrophobicContact CG-CE3 4.49Å; P30-W53 HydrophobicContact CG-CH2 4.33Å; P30-W53 HydrophobicContact CG-CZ3 3.7Å |
| 31 | G | 86.3 | Confident | 73.7 | Confident | 44 Ų | 44 | 61.5 Ų | 61.5 | 45% | 0.454 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -54.8 | -29.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | V29 Y33 G34 G35 | V29-G31 PolarHBondContact O-N 3.06Å; G31-Y33 PolarHBondContact O-N 2.99Å; G31-Y33 VanDerWaalsContact O-N 3.12Å; G31-G34 PolarHBondContact O-N 3.07Å; G31-G34 VanDerWaalsContact O-N 3.14Å; G31-G35 WeakPolarHBondContact CA-O 3.2Å |
| 32 | A | 86.1 | Confident | 75.5 | Confident | 36 Ų | 36 | 55.7 Ų | 55.7 | 30% | 0.298 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -68.7 | -7.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R26 V29 P30 | R26-A32 HydrophobicContact CB-CB 3.92Å; R26-A32 HydrophobicContact CG-CB 4.2Å; V29-A32 HydrophobicContact CG1-CB 4.45Å; V29-A32 VanDerWaalsContact O-CB 3.31Å; V29-A32 WeakPolarHBondContact O-CB 3.41Å; V29-A32 PolarHBondContact O-N 3.49Å; P30-A32 PolarHBondContact O-N 2.93Å; P30-A32 VanDerWaalsContact O-N 3.16Å |
| 33 | Y | 87.2 | Confident | 76.8 | Confident | 29 Ų | 29 | 54.9 Ų | 54.9 | 11% | 0.114 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -124.5 | 15.4 | 176.1 | -58.4 | -76.3 | 0 | 0 | 0 | 112.6 | R26 P30 G31 Q80 F159 N160 K161 P165 | R26-Y33 HydrophobicContact CB-CE2 4.17Å; R26-Y33 WeakPolarHBondContact O-CE2 3.34Å; P30-Y33 CarbonylContact O-C 3.57Å; P30-Y33 PolarHBondContact O-N 2.86Å; G31-Y33 PolarHBondContact O-N 2.99Å; G31-Y33 VanDerWaalsContact O-N 3.12Å; Y33-Q80 PolarHBondContact OH-NE2 3.43Å; Y33-Q80 VanDerWaalsContact OH-NE2 3.09Å; Y33-F159 HydrophobicContact CD1-CB 3.5Å; Y33-F159 HydrophobicContact CD1-CD2 4.24Å; Y33-F159 HydrophobicContact CD1-CG 4.3Å; Y33-F159 HydrophobicContact CE1-CB 3.73Å; Y33-F159 AromaticContact CE1-CD2 3.56Å; Y33-F159 HydrophobicContact CE1-CD2 3.56Å; Y33-F159 HydrophobicContact CE1-CG 4.08Å; Y33-F159 HydrophobicContact CE2-CD2 4.45Å; Y33-F159 HydrophobicContact CG-CB 4.01Å; Y33-F159 AromaticContact CZ-CD2 3.67Å; Y33-N160 CarbonylContact O-C 3.59Å; Y33-K161 PolarHBondContact O-N 2.77Å; Y33-K161 VanDerWaalsContact O-N 3.12Å; Y33-P165 HydrophobicContact CE2-CG 4.49Å |
| 34 | G | 84.9 | Confident | 77.8 | Confident | 57 Ų | 57 | 48.8 Ų | 48.8 | 59% | 0.588 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.8 | 10.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | P30 G31 K161 | P30-G34 PolarHBondContact O-N 2.88Å; G31-G34 PolarHBondContact O-N 3.07Å; G31-G34 VanDerWaalsContact O-N 3.14Å; G34-K161 WeakPolarHBondContact O-CB 3.04Å |
| 35 | G | 83.8 | Confident | 77.9 | Confident | 16 Ų | 16 | 55.6 Ų | 55.6 | 17% | 0.165 | 32% | 0.32 | C | S | . | . | trans | -78.6 | 176.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P30 G31 K161 | P30-G35 PolarHBondContact O-N 3.2Å; G31-G35 WeakPolarHBondContact CA-O 3.2Å; G35-K161 WeakPolarHBondContact CA-O 3.49Å | ||
| 36 | L | 83.9 | Confident | 77.3 | Confident | 84 Ų | 84 | 57.7 Ų | 57.7 | 44% | 0.44 | 33% | 0.331 | S | S | . | . | trans | -72.9 | 168.7 | 175.6 | -59.7 | 170.1 | 0 | 0 | 0 | 111.5 | A40 Y41 L49 | L36-A40 HydrophobicContact CB-CB 4.09Å; L36-Y41 HydrophobicContact CB-CD2 4.06Å; L36-Y41 HydrophobicContact CB-CE2 3.61Å; L36-Y41 PolarHBondContact N-OH 3.12Å; L36-Y41 WeakPolarHBondContact O-CE2 3.21Å; L36-L49 HydrophobicContact CD1-CD1 3.68Å | ||
| 37 | S | 82.1 | Confident | 76.2 | Confident | 73 Ų | 73 | 56 Ų | 56 | 51% | 0.51 | 33% | 0.333 | S | S | . | . | trans | -65.4 | 149.3 | 167.5 | 74.4 | 0 | 0 | 0 | 0 | 110 | K39 A40 Y41 | S37-K39 PolarHBondContact O-N 3.13Å; S37-A40 WeakPolarHBondContact O-CB 3.33Å; S37-A40 PolarHBondContact O-N 2.8Å; S37-A40 WeakPolarHBondContact OG-CB 3.38Å; S37-A40 PolarHBondContact OG-N 2.84Å; S37-Y41 VanDerWaalsContact O-CD2 3.31Å; S37-Y41 WeakPolarHBondContact O-CD2 3.49Å; S37-Y41 PolarHBondContact O-N 3.14Å | ||
| 38 | I | 78.8 | Confident | 74.6 | Confident | 9 Ų | 9 | 60 Ų | 60 | 5% | 0.046 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.1 | -35.9 | -178.6 | -61.6 | 165.3 | 0 | 0 | 0 | 111 | G28 P30 A40 Y41 L42 W53 M238 A243 | G28-I38 WeakPolarHBondContact O-CD1 3.17Å; P30-I38 VanDerWaalsContact CD-CG1 3.48Å; P30-I38 HydrophobicContact CG-CG1 4.02Å; I38-A40 VanDerWaalsContact C-N 3.3Å; I38-A40 PolarHBondContact O-N 2.98Å; I38-Y41 PolarHBondContact O-N 3.28Å; I38-Y41 VanDerWaalsContact O-N 3.16Å; I38-L42 HydrophobicContact CG2-CD1 3.92Å; I38-L42 HydrophobicContact CG2-CG 4.42Å; I38-L42 WeakPolarHBondContact O-CG 3.25Å; I38-L42 PolarHBondContact O-N 2.82Å; I38-W53 HydrophobicContact CD1-CH2 3.88Å; I38-W53 HydrophobicContact CD1-CZ3 4.4Å; I38-W53 HydrophobicContact CG1-CH2 4.01Å; I38-M238 HydrophobicContact CB-CE 4.04Å; I38-M238 HydrophobicContact CB-SD 4.36Å; I38-M238 HydrophobicContact CD1-CE 3.79Å; I38-M238 HydrophobicContact CD1-SD 4.19Å; I38-M238 HydrophobicContact CG2-CE 3.92Å; I38-M238 HydrophobicContact CG2-SD 3.59Å; I38-M238 VanDerWaalsContact CG2-SD 3.59Å; I38-A243 HydrophobicContact CD1-CB 3.6Å |
| 39 | K | 74.3 | Confident | 73.7 | Confident | 141 Ų | 141 | 62.6 Ų | 62.6 | 61% | 0.613 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -59 | -39.5 | 173.9 | -174.3 | 168.1 | 178.7 | 179.5 | 0 | 112.2 | S37 Y41 L42 D43 | S37-K39 PolarHBondContact O-N 3.13Å; K39-Y41 PolarHBondContact O-N 3.17Å; K39-L42 PolarHBondContact O-N 2.89Å; K39-L42 VanDerWaalsContact O-N 3.13Å; K39-D43 WeakPolarHBondContact CE-OD2 3.44Å; K39-D43 WeakPolarHBondContact CG-OD2 3.37Å; K39-D43 WeakPolarHBondContact O-CB 3.5Å; K39-D43 PolarHBondContact O-N 2.82Å |
| 40 | A | 78 | Confident | 73.2 | Confident | 31 Ų | 31 | 61.1 Ų | 61.1 | 26% | 0.256 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.8 | -33.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L36 S37 I38 L42 N44 | L36-A40 HydrophobicContact CB-CB 4.09Å; S37-A40 WeakPolarHBondContact O-CB 3.33Å; S37-A40 PolarHBondContact O-N 2.8Å; S37-A40 WeakPolarHBondContact OG-CB 3.38Å; S37-A40 PolarHBondContact OG-N 2.84Å; I38-A40 VanDerWaalsContact C-N 3.3Å; I38-A40 PolarHBondContact O-N 2.98Å; A40-L42 VanDerWaalsContact C-N 3.29Å; A40-L42 PolarHBondContact O-N 3.13Å; A40-N44 WeakPolarHBondContact O-CB 3.36Å; A40-N44 PolarHBondContact O-N 3.3Å |
| 41 | Y | 72.8 | Confident | 73.2 | Confident | 27 Ų | 27 | 61.2 Ų | 61.2 | 11% | 0.106 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.1 | -28.4 | 172.2 | -72 | -85.1 | 0 | 0 | 0 | 112.9 | P30 L36 S37 I38 K39 L49 V50 L51 P52 | P30-Y41 HydrophobicContact CB-CE2 4.22Å; P30-Y41 HydrophobicContact CG-CE2 4.35Å; L36-Y41 HydrophobicContact CB-CD2 4.06Å; L36-Y41 HydrophobicContact CB-CE2 3.61Å; L36-Y41 PolarHBondContact N-OH 3.12Å; L36-Y41 WeakPolarHBondContact O-CE2 3.21Å; S37-Y41 VanDerWaalsContact O-CD2 3.31Å; S37-Y41 WeakPolarHBondContact O-CD2 3.49Å; S37-Y41 PolarHBondContact O-N 3.14Å; I38-Y41 PolarHBondContact O-N 3.28Å; I38-Y41 VanDerWaalsContact O-N 3.16Å; K39-Y41 PolarHBondContact O-N 3.17Å; Y41-L49 HydrophobicContact CD1-CB 3.68Å; Y41-L49 HydrophobicContact CE1-CB 4.21Å; Y41-V50 WeakPolarHBondContact CE1-O 3.3Å; Y41-L51 HydrophobicContact CD1-CD2 4.24Å; Y41-L51 HydrophobicContact CD2-CD2 4.14Å; Y41-L51 HydrophobicContact CG-CD2 3.74Å; Y41-P52 HydrophobicContact CE2-CG 4.43Å |
| 42 | L | 71.4 | Confident | 73.4 | Confident | 35 Ų | 35 | 59.3 Ų | 59.3 | 18% | 0.183 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -92 | -39.5 | -175.6 | -65 | 170.1 | 0 | 0 | 0 | 113.3 | I38 K39 A40 F180 F182 | I38-L42 HydrophobicContact CG2-CD1 3.92Å; I38-L42 HydrophobicContact CG2-CG 4.42Å; I38-L42 WeakPolarHBondContact O-CG 3.25Å; I38-L42 PolarHBondContact O-N 2.82Å; K39-L42 PolarHBondContact O-N 2.89Å; K39-L42 VanDerWaalsContact O-N 3.13Å; A40-L42 VanDerWaalsContact C-N 3.29Å; A40-L42 PolarHBondContact O-N 3.13Å; L42-F180 HydrophobicContact CD1-CD1 4.23Å; L42-F180 HydrophobicContact CD1-CE1 3.96Å; L42-F180 HydrophobicContact CD2-CE1 4.39Å; L42-F182 HydrophobicContact CD1-CD1 4.36Å; L42-F182 HydrophobicContact CD1-CE1 3.97Å; L42-F182 HydrophobicContact CD2-CD1 3.9Å; L42-F182 HydrophobicContact CD2-CE1 4.01Å; L42-F182 HydrophobicContact CD2-CG 4.28Å; L42-F182 HydrophobicContact CD2-CZ 4.48Å |
| 43 | D | 67.5 | Low | 73.8 | Confident | 108 Ų | 108 | 57.6 Ų | 57.6 | 58% | 0.578 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -78.1 | -34.3 | -178.5 | -69.3 | -5.1 | 0 | 0 | 0 | 111.5 | K39 K45 | K39-D43 WeakPolarHBondContact CE-OD2 3.44Å; K39-D43 WeakPolarHBondContact CG-OD2 3.37Å; K39-D43 WeakPolarHBondContact O-CB 3.5Å; K39-D43 PolarHBondContact O-N 2.82Å; D43-K45 VanDerWaalsContact C-N 3.27Å; D43-K45 PolarHBondContact O-N 2.96Å |
| 44 | N | 57.5 | Low | 74.1 | Confident | 43 Ų | 43 | 56.4 Ų | 56.4 | 23% | 0.23 | 32% | 0.318 | C | S | . | . | trans | -82.3 | 66 | -176.5 | -167.2 | -3.9 | 0 | 0 | 0 | 112.7 | A40 S46 D47 L49 | A40-N44 WeakPolarHBondContact O-CB 3.36Å; A40-N44 PolarHBondContact O-N 3.3Å; N44-S46 PolarHBondContact O-N 2.79Å; N44-S46 WeakPolarHBondContact OD1-CB 3.44Å; N44-S46 PolarHBondContact OD1-OG 2.91Å; N44-D47 PolarHBondContact ND2-OD2 3Å; N44-D47 PolarHBondContact O-N 2.88Å; N44-D47 PolarHBondContact OD1-N 2.99Å; N44-D47 VanDerWaalsContact OD1-N 3.1Å; N44-L49 HydrophobicContact CB-CD1 4.28Å | ||
| 45 | K | 51.6 | Low | 74.5 | Confident | 173 Ų | 173 | 53.7 Ų | 53.7 | 75% | 0.752 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -21.6 | 172.2 | -77.7 | -176.9 | 175.7 | 173.8 | 0 | 113.7 | D43 | D43-K45 VanDerWaalsContact C-N 3.27Å; D43-K45 PolarHBondContact O-N 2.96Å |
| 46 | S | 44 | Very low | 75 | Confident | 95 Ų | 95 | 52.9 Ų | 52.9 | 66% | 0.664 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -48.3 | 175.8 | 13 | 0 | 0 | 0 | 0 | 112.4 | N44 | N44-S46 PolarHBondContact O-N 2.79Å; N44-S46 WeakPolarHBondContact OD1-CB 3.44Å; N44-S46 PolarHBondContact OD1-OG 2.91Å |
| 47 | D | 52.9 | Low | 75.5 | Confident | 107 Ų | 107 | 49 Ų | 49 | 57% | 0.572 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -6.1 | -174.9 | -68.7 | -25.9 | 0 | 0 | 0 | 114.3 | N44 L49 | N44-D47 PolarHBondContact ND2-OD2 3Å; N44-D47 PolarHBondContact O-N 2.88Å; N44-D47 PolarHBondContact OD1-N 2.99Å; N44-D47 VanDerWaalsContact OD1-N 3.1Å; D47-L49 VanDerWaalsContact C-N 3.29Å; D47-L49 HydrophobicContact CB-CD1 4.13Å; D47-L49 HydrophobicContact CB-CD2 4.4Å; D47-L49 HydrophobicContact CB-CG 3.9Å; D47-L49 PolarHBondContact O-N 3.01Å |
| 48 | M | 56.3 | Low | 75.9 | Confident | 96 Ų | 96 | 46.4 Ų | 46.4 | 47% | 0.473 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 45.2 | 174.7 | -61.5 | 167.5 | -78.5 | 0 | 0 | 113 | R190 | M48-R190 PolarHBondContact SD-NH1 2.84Š|
| 49 | L | 69.6 | Low | 76.3 | Confident | 54 Ų | 54 | 47 Ų | 47 | 28% | 0.283 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -73.3 | 128.8 | -175.5 | -64.6 | 161.6 | 0 | 0 | 0 | 111 | L36 Y41 N44 D47 | L36-L49 HydrophobicContact CD1-CD1 3.68Å; Y41-L49 HydrophobicContact CD1-CB 3.68Å; Y41-L49 HydrophobicContact CE1-CB 4.21Å; N44-L49 HydrophobicContact CB-CD1 4.28Å; D47-L49 VanDerWaalsContact C-N 3.29Å; D47-L49 HydrophobicContact CB-CD1 4.13Å; D47-L49 HydrophobicContact CB-CD2 4.4Å; D47-L49 HydrophobicContact CB-CG 3.9Å; D47-L49 PolarHBondContact O-N 3.01Å |
| 50 | V | 79.5 | Confident | 76.8 | Confident | 24 Ų | 24 | 43.9 Ų | 43.9 | 15% | 0.145 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -90.6 | 139.9 | 178.7 | 178.1 | 0 | 0 | 0 | 0 | 110.2 | Y41 D115 L191 | Y41-V50 WeakPolarHBondContact CE1-O 3.3Å; V50-D115 HydrophobicContact CG2-CB 4.46Å; V50-L191 HydrophobicContact CG1-CB 3.81Å; V50-L191 HydrophobicContact CG1-CD2 4.17Å; V50-L191 HydrophobicContact CG2-CB 3.86Å; V50-L191 WeakPolarHBondContact CG2-O 3.4Å |
| 51 | L | 88.5 | Confident | 77 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 138.7 | -178 | -71.4 | 169 | 0 | 0 | 0 | 112.2 | Y41 W53 T54 F182 E193 | Y41-L51 HydrophobicContact CD1-CD2 4.24Å; Y41-L51 HydrophobicContact CD2-CD2 4.14Å; Y41-L51 HydrophobicContact CG-CD2 3.74Å; L51-W53 HydrophobicContact CB-CD2 4.42Å; L51-W53 HydrophobicContact CB-CZ2 4.12Å; L51-W53 HydrophobicContact CD1-CZ2 3.8Å; L51-W53 HydrophobicContact CD2-CH2 4.25Å; L51-W53 HydrophobicContact CD2-CZ2 3.87Å; L51-W53 HydrophobicContact CG-CZ2 4.17Å; L51-W53 PolarHBondContact O-N 2.99Å; L51-W53 VanDerWaalsContact O-N 3.12Å; L51-T54 WeakPolarHBondContact O-CB 3.41Å; L51-T54 PolarHBondContact O-N 3.41Å; L51-T54 PolarHBondContact O-OG1 3.28Å; L51-F182 HydrophobicContact CD1-CD2 3.81Å; L51-F182 HydrophobicContact CD1-CE2 3.12Å; L51-F182 HydrophobicContact CD1-CZ 3.73Å; L51-E193 HydrophobicContact CD1-CG 3.72Å; L51-E193 HydrophobicContact CG-CG 3.99Å |
| 52 | P | 91.2 | Very high | 77.5 | Confident | 4 Ų | 4 | 50.1 Ų | 50.1 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -6.1 | -166.2 | 27 | -34.4 | 0 | 0 | 0 | 115.1 | P30 Y41 H162 I163 S164 | P30-P52 HydrophobicContact CB-CG 3.69Å; P30-P52 HydrophobicContact CG-CG 3.55Å; Y41-P52 HydrophobicContact CE2-CG 4.43Å; P52-H162 WeakPolarHBondContact CA-O 3.37Å; P52-H162 WeakPolarHBondContact CB-O 3.33Å; P52-I163 WeakPolarHBondContact O-CA 3.09Å; P52-S164 CarbonylContact C-O 3.57Å; P52-S164 VanDerWaalsContact CG-OG 3.28Å; P52-S164 WeakPolarHBondContact CG-OG 3.25Å; P52-S164 PolarHBondContact O-N 2.67Å |
| 53 | W | 93.6 | Very high | 78.2 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -17.6 | 168.9 | 42.3 | 75.1 | 0 | 0 | 0 | 113.1 | P30 I38 L51 V55 S69 I70 S164 V166 F182 V236 A243 | P30-W53 HydrophobicContact CG-CE3 4.49Å; P30-W53 HydrophobicContact CG-CH2 4.33Å; P30-W53 HydrophobicContact CG-CZ3 3.7Å; I38-W53 HydrophobicContact CD1-CH2 3.88Å; I38-W53 HydrophobicContact CD1-CZ3 4.4Å; I38-W53 HydrophobicContact CG1-CH2 4.01Å; L51-W53 HydrophobicContact CB-CD2 4.42Å; L51-W53 HydrophobicContact CB-CZ2 4.12Å; L51-W53 HydrophobicContact CD1-CZ2 3.8Å; L51-W53 HydrophobicContact CD2-CH2 4.25Å; L51-W53 HydrophobicContact CD2-CZ2 3.87Å; L51-W53 HydrophobicContact CG-CZ2 4.17Å; L51-W53 PolarHBondContact O-N 2.99Å; L51-W53 VanDerWaalsContact O-N 3.12Å; W53-V55 PolarHBondContact O-N 3.41Å; W53-S69 CarbonylContact O-C 3.52Å; W53-S69 VanDerWaalsContact O-CA 3.3Å; W53-S69 WeakPolarHBondContact O-CA 3.48Å; W53-I70 PolarHBondContact O-N 2.89Å; W53-S164 VanDerWaalsContact CA-O 3.24Å; W53-S164 WeakPolarHBondContact CA-O 3.3Å; W53-S164 VanDerWaalsContact CB-O 3.31Å; W53-S164 WeakPolarHBondContact CB-O 3.04Å; W53-S164 PolarHBondContact N-O 3.06Å; W53-V166 HydrophobicContact CB-CB 4.01Å; W53-V166 HydrophobicContact CB-CG1 4.38Å; W53-V166 HydrophobicContact CD2-CB 3.75Å; W53-V166 HydrophobicContact CD2-CG2 4.14Å; W53-V166 HydrophobicContact CE3-CB 4.01Å; W53-V166 HydrophobicContact CE3-CG2 4.4Å; W53-V166 HydrophobicContact CG-CB 3.77Å; W53-V166 HydrophobicContact CG-CG1 4.4Å; W53-V166 HydrophobicContact CG-CG2 4.48Å; W53-F182 HydrophobicContact CZ2-CE2 4.43Å; W53-F182 HydrophobicContact CZ2-CZ 4.31Å; W53-V236 HydrophobicContact CZ2-CG1 4.15Å; W53-A243 HydrophobicContact CH2-CB 3.3Å; W53-A243 HydrophobicContact CZ2-CB 3.75Å; W53-A243 HydrophobicContact CZ3-CB 3.98Å |
| 54 | T | 93.7 | Very high | 79.1 | Confident | 4 Ų | 4 | 51.9 Ų | 51.9 | 3% | 0.025 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 127.8 | -171.3 | -53.4 | 0 | 0 | 0 | 0 | 110.4 | L51 L67 S184 L191 E193 | L51-T54 WeakPolarHBondContact O-CB 3.41Å; L51-T54 PolarHBondContact O-N 3.41Å; L51-T54 PolarHBondContact O-OG1 3.28Å; T54-L67 HydrophobicContact CG2-CD2 4.31Å; T54-S184 PolarHBondContact OG1-OG 3.07Å; T54-L191 HydrophobicContact CG2-CD2 3.84Å; T54-E193 PolarHBondContact OG1-OE1 3.39Å |
| 55 | V | 94.6 | Very high | 80.7 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 155.4 | 179.9 | -60.9 | 0 | 0 | 0 | 0 | 112.5 | W53 L67 G68 I70 V87 V110 Y111 A112 F157 | W53-V55 PolarHBondContact O-N 3.41Å; V55-L67 CarbonylContact O-C 3.58Å; V55-L67 WeakPolarHBondContact O-CA 3.46Å; V55-G68 VanDerWaalsContact CG2-C 3.45Å; V55-G68 WeakPolarHBondContact CG2-O 3.48Å; V55-G68 PolarHBondContact N-O 2.88Å; V55-G68 PolarHBondContact O-N 2.88Å; V55-I70 HydrophobicContact CG1-CD1 3.87Å; V55-I70 HydrophobicContact CG1-CG1 3.54Å; V55-V87 HydrophobicContact CG2-CG1 3.61Å; V55-V87 HydrophobicContact CG2-CG2 4.28Å; V55-V110 HydrophobicContact CB-CG1 3.75Å; V55-V110 HydrophobicContact CG1-CG1 4.27Å; V55-V110 HydrophobicContact CG2-CG1 3.76Å; V55-Y111 CarbonylContact C-O 3.53Å; V55-Y111 VanDerWaalsContact CA-O 3.23Å; V55-Y111 WeakPolarHBondContact CA-O 3.34Å; V55-Y111 VanDerWaalsContact CB-O 3.25Å; V55-Y111 WeakPolarHBondContact CB-O 3.43Å; V55-A112 HydrophobicContact CG1-CB 3.79Å; V55-F157 HydrophobicContact CG1-CE2 4.31Å |
| 56 | A | 93.6 | Very high | 82.7 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 131.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | F64 Y111 L117 L191 | A56-F64 HydrophobicContact CB-CE2 4.44Å; A56-Y111 PolarHBondContact N-O 3.43Å; A56-Y111 PolarHBondContact O-N 3.36Å; A56-L117 HydrophobicContact CB-CD1 3.44Å; A56-L117 VanDerWaalsContact CB-CD1 3.44Å; A56-L117 HydrophobicContact CB-CD2 4.03Å; A56-L117 HydrophobicContact CB-CG 4.4Å; A56-L191 HydrophobicContact CB-CD2 4.46Å |
| 57 | I | 93.5 | Very high | 85.1 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 125.2 | 179.1 | -51.6 | -176.8 | 0 | 0 | 0 | 109.1 | K65 C66 T89 F94 Y108 V110 | I57-K65 HydrophobicContact CG2-CB 4.48Å; I57-K65 WeakPolarHBondContact O-CB 3.17Å; I57-K65 PolarHBondContact O-N 2.9Å; I57-C66 HydrophobicContact CD1-CB 4.47Å; I57-C66 PolarHBondContact N-O 2.7Å; I57-T89 HydrophobicContact CD1-CG2 3.76Å; I57-F94 HydrophobicContact CD1-CZ 4.02Å; I57-F94 HydrophobicContact CG2-CE1 4.29Å; I57-Y108 HydrophobicContact CG2-CD1 4.23Å; I57-V110 HydrophobicContact CG1-CG2 4.32Å |
| 58 | R | 90.5 | Very high | 87.1 | Confident | 19 Ų | 19 | 35.3 Ų | 35.3 | 7% | 0.072 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 149.9 | 171.8 | -71.9 | -179.1 | 162.9 | 178.9 | -4.7 | 110.8 | G62 K63 Y108 K109 Y111 L117 R118 N122 | R58-G62 VanDerWaalsContact CD-O 3.29Å; R58-G62 WeakPolarHBondContact CD-O 3.39Å; R58-G62 PolarHBondContact NE-O 2.82Å; R58-K63 WeakPolarHBondContact CA-O 3.35Å; R58-Y108 WeakPolarHBondContact O-CA 3.38Å; R58-K109 PolarHBondContact N-O 3.1Å; R58-K109 PolarHBondContact O-N 3.31Å; R58-Y111 HydrophobicContact CB-CE2 4.08Å; R58-Y111 HydrophobicContact CG-CD2 4.38Å; R58-Y111 HydrophobicContact CG-CE2 4.1Å; R58-L117 HydrophobicContact CG-CD2 4.14Å; R58-L117 VanDerWaalsContact NE-CD2 3.28Å; R58-L117 VanDerWaalsContact NH2-CG 3.31Å; R58-L117 PolarHBondContact NH2-O 2.92Å; R58-R118 VanDerWaalsContact CZ-O 3.29Å; R58-R118 PolarHBondContact NH1-O 3.13Å; R58-R118 PolarHBondContact NH2-O 2.86Å; R58-N122 PolarHBondContact NH1-ND2 3.24Å |
| 59 | N | 88.8 | Confident | 89 | Confident | 23 Ų | 23 | 30.7 Ų | 30.7 | 12% | 0.123 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 178.1 | 166.2 | 74.2 | -10.3 | 0 | 0 | 0 | 111.8 | L61 G62 K63 K65 H107 | N59-L61 PolarHBondContact O-N 3.34Å; N59-L61 PolarHBondContact OD1-N 2.91Å; N59-G62 PolarHBondContact O-N 3.11Å; N59-G62 PolarHBondContact OD1-N 2.89Å; N59-K63 PolarHBondContact N-O 3.36Å; N59-K63 WeakPolarHBondContact OD1-CB 2.95Å; N59-K63 PolarHBondContact OD1-N 2.01Å; N59-K63 PolarHBondContact OD1-O 2.89Å; N59-K65 HydrophobicContact CB-CG 4.16Å; N59-H107 CarbonylContact C-O 3.52Å; N59-H107 VanDerWaalsContact C-O 3.23Å; N59-H107 VanDerWaalsContact CA-O 3.27Å; N59-H107 WeakPolarHBondContact CA-O 3.47Å |
| 60 | S | 83.7 | Confident | 90.2 | Very high | 74 Ų | 74 | 28.1 Ų | 28.1 | 52% | 0.517 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -29.7 | 177.6 | 52.2 | 0 | 0 | 0 | 0 | 113.9 | G62 H107 | S60-G62 PolarHBondContact O-N 3.02Å; S60-H107 PolarHBondContact N-O 3.02Å |
| 61 | L | 83.3 | Confident | 90.9 | Very high | 153 Ų | 153 | 27 Ų | 27 | 80% | 0.801 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | 7.1 | 175.4 | -57.2 | 173.7 | 0 | 0 | 0 | 113.6 | N59 K63 | N59-L61 PolarHBondContact O-N 3.34Å; N59-L61 PolarHBondContact OD1-N 2.91Å; L61-K63 PolarHBondContact O-N 2.83Å; L61-K63 VanDerWaalsContact O-N 3.13Å |
| 62 | G | 81.8 | Confident | 91 | Very high | 36 Ų | 36 | 28.4 Ų | 28.4 | 37% | 0.371 | 15% | 0.154 | S | C | . | . | S | Bend | trans | 73.4 | -3 | -179 | 0 | 0 | 0 | 0 | 0 | 115.4 | R58 N59 S60 F64 | R58-G62 VanDerWaalsContact CD-O 3.29Å; R58-G62 WeakPolarHBondContact CD-O 3.39Å; R58-G62 PolarHBondContact NE-O 2.82Å; N59-G62 PolarHBondContact O-N 3.11Å; N59-G62 PolarHBondContact OD1-N 2.89Å; S60-G62 PolarHBondContact O-N 3.02Å; G62-F64 PolarHBondContact O-N 3.48Å |
| 63 | K | 85.9 | Confident | 90.6 | Very high | 148 Ų | 148 | 29.7 Ų | 29.7 | 64% | 0.643 | 16% | 0.161 | S | C | * | . | trans | -69.6 | 129 | 177.3 | -171.7 | 171.6 | 179.5 | 170.5 | 0 | 109.7 | R58 N59 L61 | R58-K63 WeakPolarHBondContact CA-O 3.35Å; N59-K63 PolarHBondContact N-O 3.36Å; N59-K63 WeakPolarHBondContact OD1-CB 2.95Å; N59-K63 PolarHBondContact OD1-N 2.01Å; N59-K63 PolarHBondContact OD1-O 2.89Å; L61-K63 PolarHBondContact O-N 2.83Å; L61-K63 VanDerWaalsContact O-N 3.13Å | ||
| 64 | F | 88.2 | Confident | 89.1 | Confident | 33 Ų | 33 | 35.6 Ų | 35.6 | 15% | 0.145 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.3 | 140 | 169.5 | 172.7 | -93.7 | 0 | 0 | 0 | 110.5 | A56 G62 C66 L67 L117 Y186 | A56-F64 HydrophobicContact CB-CE2 4.44Å; G62-F64 PolarHBondContact O-N 3.48Å; F64-C66 VanDerWaalsContact CE2-O 3.27Å; F64-C66 WeakPolarHBondContact CE2-O 3.41Å; F64-C66 VanDerWaalsContact CZ-C 3.45Å; F64-L67 HydrophobicContact CE2-CD2 4.11Å; F64-L67 HydrophobicContact CE2-CG 4.29Å; F64-L67 HydrophobicContact CZ-CD2 4.38Å; F64-L67 HydrophobicContact CZ-CG 4.09Å; F64-L117 HydrophobicContact CB-CD2 4.26Å; F64-L117 HydrophobicContact CD2-CD2 3.84Å; F64-Y186 HydrophobicContact CB-CE1 3.99Å; F64-Y186 AromaticContact CD1-CD1 3.65Å; F64-Y186 HydrophobicContact CD1-CD1 3.65Å; F64-Y186 AromaticContact CD1-CE1 3.71Å; F64-Y186 HydrophobicContact CD1-CE1 3.71Å; F64-Y186 HydrophobicContact CD1-CG 4.49Å; F64-Y186 HydrophobicContact CD2-CD1 4Å; F64-Y186 HydrophobicContact CD2-CD2 4.34Å; F64-Y186 AromaticContact CD2-CE1 3.93Å; F64-Y186 HydrophobicContact CD2-CE1 3.93Å; F64-Y186 HydrophobicContact CD2-CE2 4.27Å; F64-Y186 HydrophobicContact CD2-CG 4.2Å; F64-Y186 AromaticContact CE1-CD1 3.56Å; F64-Y186 HydrophobicContact CE1-CD1 3.56Å; F64-Y186 HydrophobicContact CE1-CE1 4.12Å; F64-Y186 HydrophobicContact CE1-CG 4.12Å; F64-Y186 AromaticContact CE2-CD1 3.9Å; F64-Y186 HydrophobicContact CE2-CD1 3.9Å; F64-Y186 HydrophobicContact CE2-CD2 4.11Å; F64-Y186 HydrophobicContact CE2-CE1 4.3Å; F64-Y186 HydrophobicContact CE2-CE2 4.5Å; F64-Y186 AromaticContact CE2-CG 3.78Å; F64-Y186 HydrophobicContact CE2-CG 3.78Å; F64-Y186 AromaticContact CG-CD1 3.87Å; F64-Y186 HydrophobicContact CG-CD1 3.87Å; F64-Y186 AromaticContact CG-CE1 3.59Å; F64-Y186 HydrophobicContact CG-CE1 3.59Å; F64-Y186 AromaticContact CZ-CD1 3.67Å; F64-Y186 HydrophobicContact CZ-CD1 3.67Å; F64-Y186 HydrophobicContact CZ-CD2 4.5Å; F64-Y186 HydrophobicContact CZ-CE1 4.38Å; F64-Y186 AromaticContact CZ-CG 3.73Å; F64-Y186 HydrophobicContact CZ-CG 3.73Å |
| 65 | K | 90 | Very high | 87.1 | Confident | 69 Ų | 69 | 39.3 Ų | 39.3 | 30% | 0.3 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | -53.6 | 178.4 | -73.2 | -59.8 | -168.3 | 170.1 | 0 | 112.1 | I57 N59 Y108 | I57-K65 HydrophobicContact CG2-CB 4.48Å; I57-K65 WeakPolarHBondContact O-CB 3.17Å; I57-K65 PolarHBondContact O-N 2.9Å; N59-K65 HydrophobicContact CB-CG 4.16Å; K65-Y108 HydrophobicContact CG-CE1 4.47Å |
| 66 | C | 92.7 | Very high | 84.9 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 167.3 | -173.4 | -72.5 | 0 | 0 | 0 | 0 | 111.1 | I57 F64 C93 L231 | I57-C66 HydrophobicContact CD1-CB 4.47Å; I57-C66 PolarHBondContact N-O 2.7Å; F64-C66 VanDerWaalsContact CE2-O 3.27Å; F64-C66 WeakPolarHBondContact CE2-O 3.41Å; F64-C66 VanDerWaalsContact CZ-C 3.45Å; C66-C93 HydrophobicContact CB-CB 3.84Å; C66-C93 WeakPolarHBondContact CB-SG 3.05Å; C66-C93 WeakPolarHBondContact SG-CA 3.36Å; C66-C93 WeakPolarHBondContact SG-CB 2.98Å; C66-C93 CovalentContact SG-SG 2Å; C66-C93 PolarHBondContact SG-SG 3.12Å; C66-L231 CarbonylContact C-O 3.55Å; C66-L231 VanDerWaalsContact CA-O 3.23Å; C66-L231 WeakPolarHBondContact CA-O 2.89Å; C66-L231 WeakPolarHBondContact CB-O 3.33Å |
| 67 | L | 94.3 | Very high | 82.4 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | -179.6 | 157.8 | -65.4 | 170.2 | 0 | 0 | 0 | 110.9 | T54 V55 F64 T89 S184 L191 L231 G232 | T54-L67 HydrophobicContact CG2-CD2 4.31Å; V55-L67 CarbonylContact O-C 3.58Å; V55-L67 WeakPolarHBondContact O-CA 3.46Å; F64-L67 HydrophobicContact CE2-CD2 4.11Å; F64-L67 HydrophobicContact CE2-CG 4.29Å; F64-L67 HydrophobicContact CZ-CD2 4.38Å; F64-L67 HydrophobicContact CZ-CG 4.09Å; L67-T89 PolarHBondContact O-OG1 2.74Å; L67-S184 VanDerWaalsContact CD1-C 3.41Å; L67-S184 WeakPolarHBondContact CD1-O 3.47Å; L67-L191 HydrophobicContact CD2-CD2 3.72Å; L67-L191 HydrophobicContact CD2-CG 3.97Å; L67-L231 PolarHBondContact N-O 3.41Å; L67-G232 CarbonylContact C-O 3.57Å; L67-G232 CarbonylContact O-C 3.59Å |
| 68 | G | 95.2 | Very high | 80 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.6 | -177.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | V55 L88 G232 | V55-G68 VanDerWaalsContact CG2-C 3.45Å; V55-G68 WeakPolarHBondContact CG2-O 3.48Å; V55-G68 PolarHBondContact N-O 2.88Å; V55-G68 PolarHBondContact O-N 2.88Å; G68-L88 CarbonylContact C-O 3.46Å; G68-L88 WeakPolarHBondContact CA-O 3.33Å; G68-G232 WeakPolarHBondContact CA-O 3.19Å; G68-G232 PolarHBondContact N-O 2.95Å |
| 69 | S | 96.8 | Very high | 78.3 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 146.4 | 175.6 | 48.1 | 0 | 0 | 0 | 0 | 112.4 | W53 V87 L88 Q245 | W53-S69 CarbonylContact O-C 3.52Å; W53-S69 VanDerWaalsContact O-CA 3.3Å; W53-S69 WeakPolarHBondContact O-CA 3.48Å; S69-V87 CarbonylContact O-C 3.15Å; S69-V87 VanDerWaalsContact O-CA 3.24Å; S69-V87 WeakPolarHBondContact O-CA 3.3Å; S69-L88 PolarHBondContact N-O 2.82Å; S69-L88 PolarHBondContact O-N 3.2Å; S69-Q245 VanDerWaalsContact OG-CD 3.24Å; S69-Q245 PolarHBondContact OG-NE2 3.22Å; S69-Q245 PolarHBondContact OG-OE1 3.03Å |
| 70 | I | 95.5 | Very high | 76.9 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 128.2 | 165.5 | -56.5 | 173.4 | 0 | 0 | 0 | 108.5 | W53 V55 V87 A112 F157 F159 I163 P165 V166 | W53-I70 PolarHBondContact O-N 2.89Å; V55-I70 HydrophobicContact CG1-CD1 3.87Å; V55-I70 HydrophobicContact CG1-CG1 3.54Å; I70-V87 HydrophobicContact CG1-CG2 4.45Å; I70-A112 HydrophobicContact CD1-CB 3.95Å; I70-F157 HydrophobicContact CD1-CB 4.43Å; I70-F157 HydrophobicContact CD1-CD2 3.84Å; I70-F157 HydrophobicContact CD1-CG 4.47Å; I70-F157 HydrophobicContact CG1-CD2 4.2Å; I70-F159 HydrophobicContact CG2-CE1 3.98Å; I70-I163 HydrophobicContact CD1-CG2 3.55Å; I70-P165 HydrophobicContact CG2-CB 4.38Å; I70-P165 WeakPolarHBondContact O-CA 3.35Å; I70-V166 PolarHBondContact O-N 3.35Å |
| 71 | I | 94.1 | Very high | 76.6 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 36% | 0.362 | C | S | . | . | trans | -122 | 160.2 | -179.3 | 61.1 | 162.2 | 0 | 0 | 0 | 110.2 | S84 L86 L88 L150 V166 L168 F276 | I71-S84 WeakPolarHBondContact O-CB 3.3Å; I71-S84 PolarHBondContact O-OG 2.68Å; I71-L86 HydrophobicContact CD1-CB 3.97Å; I71-L86 HydrophobicContact CD1-CD1 4.37Å; I71-L86 HydrophobicContact CG1-CB 3.65Å; I71-L86 PolarHBondContact N-O 3.07Å; I71-L88 HydrophobicContact CD1-CB 4.39Å; I71-L88 HydrophobicContact CG2-CB 4.03Å; I71-L150 HydrophobicContact CD1-CD1 3.75Å; I71-V166 HydrophobicContact CG2-CG1 4.32Å; I71-L168 HydrophobicContact CB-CD2 4.42Å; I71-L168 HydrophobicContact CD1-CD1 4.27Å; I71-L168 HydrophobicContact CG2-CD2 3.76Å; I71-L168 HydrophobicContact CG2-CG 4.35Å; I71-F276 HydrophobicContact CD1-CE1 4.24Å; I71-F276 HydrophobicContact CD1-CZ 3.59Å | ||
| 72 | P | 89.1 | Confident | 76.7 | Confident | 33 Ų | 33 | 67 Ų | 67 | 21% | 0.214 | 35% | 0.349 | C | S | . | . | trans | -62.1 | 143.8 | 175.8 | -22.3 | 34.7 | 0 | 0 | 0 | 112.3 | C27 N74 P165 V166 | C27-P72 HydrophobicContact CB-CG 3.93Å; P72-N74 PolarHBondContact O-N 2.87Å; P72-P165 HydrophobicContact CG-CB 4.2Å; P72-V166 WeakPolarHBondContact CD-O 3.21Å | ||
| 73 | D | 83.1 | Confident | 77.2 | Confident | 31 Ų | 31 | 69.8 Ų | 69.8 | 17% | 0.166 | 35% | 0.349 | C | S | . | . | trans | -74.6 | 101.8 | 167.3 | -78.3 | 17.6 | 0 | 0 | 0 | 108.3 | D75 K81 S84 S85 L86 | D73-D75 PolarHBondContact O-N 3.13Å; D73-K81 HydrophobicContact CB-CD 4.21Å; D73-S84 WeakPolarHBondContact OD1-CA 3.46Å; D73-S84 PolarHBondContact OD1-OG 3.37Å; D73-S85 PolarHBondContact OD1-N 2.92Å; D73-S85 PolarHBondContact OD1-OG 3Å; D73-S85 WeakPolarHBondContact OD2-CB 3.39Å; D73-S85 PolarHBondContact OD2-N 3.38Å; D73-S85 VanDerWaalsContact OD2-N 3.15Å; D73-S85 PolarHBondContact OD2-OG 2.99Å; D73-L86 WeakPolarHBondContact OD1-CG 3.37Å; D73-L86 PolarHBondContact OD1-N 2.89Å | ||
| 74 | N | 63.1 | Low | 77.4 | Confident | 123 Ų | 123 | 62.8 Ų | 62.8 | 66% | 0.658 | 32% | 0.319 | S | S | * | . | trans | -64.7 | 97.2 | 176.2 | -82.3 | 3.3 | 0 | 0 | 0 | 110.7 | P72 | P72-N74 PolarHBondContact O-N 2.87Š| ||
| 75 | D | 51.4 | Low | 77.7 | Confident | 83 Ų | 83 | 62.6 Ų | 62.6 | 44% | 0.444 | 32% | 0.321 | S | S | . | . | trans | -124.3 | 123.1 | 171.3 | -159.9 | -33 | 0 | 0 | 0 | 106.5 | D73 S77 K81 | D73-D75 PolarHBondContact O-N 3.13Å; D75-S77 PolarHBondContact O-N 3.42Å; D75-S77 PolarHBondContact OD1-OG 3.34Å; D75-K81 IonicContact OD2-NZ 2.98Å; D75-K81 PolarHBondContact OD2-NZ 2.97Å | ||
| 76 | H | 47.4 | Very low | 77.9 | Confident | 200 Ų | 200 | 60.4 Ų | 60.4 | 93% | 0.926 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -68.5 | -0.6 | -176.2 | -72 | -80.7 | 0 | 0 | 0 | 113.3 | A78 | H76-A78 PolarHBondContact O-N 3.31Š|
| 77 | S | 41.6 | Very low | 78.1 | Confident | 76 Ų | 76 | 60.4 Ų | 60.4 | 53% | 0.531 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -67.5 | 117.6 | 166.8 | -53.3 | 0 | 0 | 0 | 0 | 110.7 | D75 R79 | D75-S77 PolarHBondContact O-N 3.42Å; D75-S77 PolarHBondContact OD1-OG 3.34Å; S77-R79 PolarHBondContact O-N 3.24Å |
| 78 | A | 43.3 | Very low | 78.2 | Confident | 112 Ų | 112 | 60.4 Ų | 60.4 | 93% | 0.926 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -65.3 | 23.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | H76 | H76-A78 PolarHBondContact O-N 3.31Š|
| 79 | R | 55.6 | Low | 78.2 | Confident | 223 Ų | 223 | 60.4 Ų | 60.4 | 84% | 0.842 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -110.1 | 108.4 | 173.4 | -69.2 | -174.8 | 179.7 | -173.2 | 0.4 | 109.7 | S77 K81 | S77-R79 PolarHBondContact O-N 3.24Å; R79-K81 PolarHBondContact O-N 3.18Å |
| 80 | Q | 59.4 | Low | 78.1 | Confident | 79 Ų | 79 | 60.4 Ų | 60.4 | 37% | 0.369 | 31% | 0.313 | S | S | . | . | trans | -61 | 121.7 | 174.7 | -173.8 | 172.9 | 5.1 | 0 | 0 | 110.5 | Y33 | Y33-Q80 PolarHBondContact OH-NE2 3.43Å; Y33-Q80 VanDerWaalsContact OH-NE2 3.09Å | ||
| 81 | K | 75.9 | Confident | 77.9 | Confident | 60 Ų | 60 | 60.4 Ų | 60.4 | 26% | 0.261 | 31% | 0.313 | S | S | . | . | trans | -75.4 | 137.6 | 179.6 | -64.8 | 171 | -177.4 | 174.5 | 0 | 110.4 | D73 D75 R79 Y83 F159 | D73-K81 HydrophobicContact CB-CD 4.21Å; D75-K81 IonicContact OD2-NZ 2.98Å; D75-K81 PolarHBondContact OD2-NZ 2.97Å; R79-K81 PolarHBondContact O-N 3.18Å; K81-Y83 HydrophobicContact CB-CD1 4.34Å; K81-Y83 HydrophobicContact CB-CE1 4.18Å; K81-Y83 HydrophobicContact CB-CE2 4.39Å; K81-Y83 HydrophobicContact CD-CE2 3.98Å; K81-Y83 HydrophobicContact CG-CE1 4.39Å; K81-Y83 PolarHBondContact O-N 3.33Å; K81-F159 VanDerWaalsContact O-CE2 3.29Å; K81-F159 WeakPolarHBondContact O-CE2 3.47Å | ||
| 82 | N | 87.2 | Confident | 77.7 | Confident | 100 Ų | 100 | 61.6 Ų | 61.6 | 54% | 0.535 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -83.5 | 23.8 | 173.3 | -73.7 | -22.9 | 0 | 0 | 0 | 112.9 | F159 | N82-F159 PolarHBondContact O-N 3.27Š|
| 83 | Y | 90.7 | Very high | 77.8 | Confident | 96 Ų | 96 | 60.2 Ų | 60.2 | 38% | 0.376 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 163.9 | 179.5 | 62.8 | -99.5 | 0 | 0 | 0 | 109.7 | K81 P156 F157 F159 | K81-Y83 HydrophobicContact CB-CD1 4.34Å; K81-Y83 HydrophobicContact CB-CE1 4.18Å; K81-Y83 HydrophobicContact CB-CE2 4.39Å; K81-Y83 HydrophobicContact CD-CE2 3.98Å; K81-Y83 HydrophobicContact CG-CE1 4.39Å; K81-Y83 PolarHBondContact O-N 3.33Å; Y83-P156 HydrophobicContact CD2-CB 3.67Å; Y83-P156 HydrophobicContact CD2-CG 4.04Å; Y83-P156 HydrophobicContact CE2-CB 4.46Å; Y83-P156 HydrophobicContact CG-CB 4.26Å; Y83-P156 HydrophobicContact CG-CG 4.46Å; Y83-F157 CarbonylContact C-O 3.57Å; Y83-F157 WeakPolarHBondContact CA-O 3.36Å; Y83-F157 VanDerWaalsContact CB-O 3.29Å; Y83-F157 WeakPolarHBondContact CB-O 3.3Å; Y83-F159 WeakPolarHBondContact O-CZ 3.05Å |
| 84 | S | 91.9 | Very high | 78.2 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.007 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 140.8 | 170.2 | 163.6 | 0 | 0 | 0 | 0 | 111.6 | I71 D73 L86 P156 F157 | I71-S84 WeakPolarHBondContact O-CB 3.3Å; I71-S84 PolarHBondContact O-OG 2.68Å; D73-S84 WeakPolarHBondContact OD1-CA 3.46Å; D73-S84 PolarHBondContact OD1-OG 3.37Å; S84-L86 PolarHBondContact OG-N 2.85Å; S84-L86 PolarHBondContact OG-O 2.99Å; S84-L86 VanDerWaalsContact OG-O 3.14Å; S84-P156 CarbonylContact O-C 3.49Å; S84-P156 WeakPolarHBondContact O-CA 3.5Å; S84-P156 VanDerWaalsContact O-CB 3.25Å; S84-P156 WeakPolarHBondContact O-CB 3.3Å; S84-F157 PolarHBondContact N-O 2.77Å; S84-F157 PolarHBondContact O-N 3.34Å |
| 85 | S | 93.3 | Very high | 79.2 | Confident | 28 Ų | 28 | 56.4 Ų | 56.4 | 20% | 0.196 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | -1.2 | 170 | 67.4 | 0 | 0 | 0 | 0 | 112.8 | D73 T152 L153 | D73-S85 PolarHBondContact OD1-N 2.92Å; D73-S85 PolarHBondContact OD1-OG 3Å; D73-S85 WeakPolarHBondContact OD2-CB 3.39Å; D73-S85 PolarHBondContact OD2-N 3.38Å; D73-S85 VanDerWaalsContact OD2-N 3.15Å; D73-S85 PolarHBondContact OD2-OG 2.99Å; S85-T152 CarbonylContact O-C 3.56Å; S85-T152 WeakPolarHBondContact O-CA 3.37Å; S85-L153 WeakPolarHBondContact O-CG 3.42Å; S85-L153 PolarHBondContact O-N 3.4Å |
| 86 | L | 94.6 | Very high | 80.2 | Confident | 24 Ų | 24 | 57.3 Ų | 57.3 | 13% | 0.126 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 129.5 | -171.8 | -65.1 | -175 | 0 | 0 | 0 | 113.2 | I71 D73 S84 L150 | I71-L86 HydrophobicContact CD1-CB 3.97Å; I71-L86 HydrophobicContact CD1-CD1 4.37Å; I71-L86 HydrophobicContact CG1-CB 3.65Å; I71-L86 PolarHBondContact N-O 3.07Å; D73-L86 WeakPolarHBondContact OD1-CG 3.37Å; D73-L86 PolarHBondContact OD1-N 2.89Å; S84-L86 PolarHBondContact OG-N 2.85Å; S84-L86 PolarHBondContact OG-O 2.99Å; S84-L86 VanDerWaalsContact OG-O 3.14Å; L86-L150 HydrophobicContact CB-CD1 4.14Å; L86-L150 HydrophobicContact CD1-CD1 4.44Å; L86-L150 HydrophobicContact CD2-CD1 4.12Å; L86-L150 HydrophobicContact CD2-CD2 4.28Å; L86-L150 HydrophobicContact CD2-CG 4.22Å; L86-L150 HydrophobicContact CG-CD1 4.47Å |
| 87 | V | 96.7 | Very high | 80.9 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 128.8 | 174.8 | 163.4 | 0 | 0 | 0 | 0 | 110.2 | V55 S69 I70 V110 V151 L153 F157 | V55-V87 HydrophobicContact CG2-CG1 3.61Å; V55-V87 HydrophobicContact CG2-CG2 4.28Å; S69-V87 CarbonylContact O-C 3.15Å; S69-V87 VanDerWaalsContact O-CA 3.24Å; S69-V87 WeakPolarHBondContact O-CA 3.3Å; I70-V87 HydrophobicContact CG1-CG2 4.45Å; V87-V110 HydrophobicContact CG1-CG1 4.42Å; V87-V110 HydrophobicContact CG2-CG1 4.26Å; V87-V151 HydrophobicContact CB-CB 4.21Å; V87-V151 PolarHBondContact N-O 3.19Å; V87-V151 PolarHBondContact O-N 3.01Å; V87-L153 HydrophobicContact CG2-CD1 4.1Å; V87-L153 HydrophobicContact CG2-CD2 4.44Å; V87-L153 HydrophobicContact CG2-CG 4.42Å; V87-F157 HydrophobicContact CG2-CE2 4.44Å |
| 88 | L | 96.3 | Very high | 81.8 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 133.7 | 178.6 | -170.8 | 61.6 | 0 | 0 | 0 | 110.3 | G68 S69 I71 L168 V248 V272 A275 | G68-L88 CarbonylContact C-O 3.46Å; G68-L88 WeakPolarHBondContact CA-O 3.33Å; S69-L88 PolarHBondContact N-O 2.82Å; S69-L88 PolarHBondContact O-N 3.2Å; I71-L88 HydrophobicContact CD1-CB 4.39Å; I71-L88 HydrophobicContact CG2-CB 4.03Å; L88-L168 HydrophobicContact CD2-CD2 4.01Å; L88-V248 HydrophobicContact CD2-CG2 4.06Å; L88-V248 HydrophobicContact CG-CG2 3.8Å; L88-V272 HydrophobicContact CD2-CB 3.98Å; L88-V272 HydrophobicContact CD2-CG1 3.65Å; L88-A275 HydrophobicContact CD1-CB 3.52Å |
| 89 | T | 96.2 | Very high | 82.5 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | -177.2 | -172.4 | -173.4 | 0 | 0 | 0 | 0 | 111 | I57 L67 C93 F94 A149 V151 V248 | I57-T89 HydrophobicContact CD1-CG2 3.76Å; L67-T89 PolarHBondContact O-OG1 2.74Å; T89-C93 PolarHBondContact OG1-SG 3.35Å; T89-C93 VanDerWaalsContact OG1-SG 3.39Å; T89-F94 HydrophobicContact CG2-CE2 3.66Å; T89-F94 HydrophobicContact CG2-CZ 3.78Å; T89-A149 HydrophobicContact CG2-CB 4.28Å; T89-A149 PolarHBondContact N-O 2.73Å; T89-A149 PolarHBondContact O-N 3.42Å; T89-V151 HydrophobicContact CG2-CG2 3.83Å; T89-V248 VanDerWaalsContact C-CG1 3.45Å |
| 90 | A | 94.2 | Very high | 82.9 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 145.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S92 C93 L231 V248 L250 | A90-S92 VanDerWaalsContact C-N 3.26Å; A90-S92 PolarHBondContact O-N 3.42Å; A90-C93 VanDerWaalsContact O-CB 3.3Å; A90-C93 WeakPolarHBondContact O-CB 3.48Å; A90-C93 PolarHBondContact O-N 3.27Å; A90-C93 PolarHBondContact O-SG 3.21Å; A90-L231 HydrophobicContact CB-CD1 3.96Å; A90-L231 HydrophobicContact CB-CG 4.29Å; A90-V248 HydrophobicContact CB-CG1 4.28Å; A90-L250 HydrophobicContact CB-CD2 3.44Å; A90-L250 VanDerWaalsContact CB-CD2 3.44Å |
| 91 | G | 91.5 | Very high | 83.7 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -66 | -29.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | C93 F94 N146 G147 | G91-C93 PolarHBondContact O-N 3.4Å; G91-C93 VanDerWaalsContact O-N 3.08Å; G91-F94 PolarHBondContact O-N 3.3Å; G91-N146 WeakPolarHBondContact CA-O 3.24Å; G91-G147 PolarHBondContact N-O 2.87Å |
| 92 | S | 89.6 | Confident | 84.1 | Confident | 25 Ų | 25 | 55.7 Ų | 55.7 | 18% | 0.175 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -57.9 | -24 | 178.1 | -64.6 | 0 | 0 | 0 | 0 | 113.1 | A90 F94 R95 N143 N146 | A90-S92 VanDerWaalsContact C-N 3.26Å; A90-S92 PolarHBondContact O-N 3.42Å; S92-F94 PolarHBondContact O-N 3.49Å; S92-R95 PolarHBondContact O-N 2.89Å; S92-N143 PolarHBondContact OG-O 3.16Å; S92-N146 PolarHBondContact OG-ND2 3.07Å |
| 93 | C | 90.6 | Very high | 83.9 | Confident | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.02 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -57.9 | -30.9 | 177.8 | -54.8 | 0 | 0 | 0 | 0 | 113.9 | C66 T89 A90 G91 | C66-C93 HydrophobicContact CB-CB 3.84Å; C66-C93 WeakPolarHBondContact CB-SG 3.05Å; C66-C93 WeakPolarHBondContact SG-CA 3.36Å; C66-C93 WeakPolarHBondContact SG-CB 2.98Å; C66-C93 CovalentContact SG-SG 2Å; C66-C93 PolarHBondContact SG-SG 3.12Å; T89-C93 PolarHBondContact OG1-SG 3.35Å; T89-C93 VanDerWaalsContact OG1-SG 3.39Å; A90-C93 VanDerWaalsContact O-CB 3.3Å; A90-C93 WeakPolarHBondContact O-CB 3.48Å; A90-C93 PolarHBondContact O-N 3.27Å; A90-C93 PolarHBondContact O-SG 3.21Å; G91-C93 PolarHBondContact O-N 3.4Å; G91-C93 VanDerWaalsContact O-N 3.08Å |
| 94 | F | 91.2 | Very high | 83.8 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -102.6 | -2.3 | -171.7 | -50.9 | -64.5 | 0 | 0 | 0 | 113.4 | I57 T89 G91 S92 W102 G103 Y108 I132 I134 A149 V151 | I57-F94 HydrophobicContact CD1-CZ 4.02Å; I57-F94 HydrophobicContact CG2-CE1 4.29Å; T89-F94 HydrophobicContact CG2-CE2 3.66Å; T89-F94 HydrophobicContact CG2-CZ 3.78Å; G91-F94 PolarHBondContact O-N 3.3Å; S92-F94 PolarHBondContact O-N 3.49Å; F94-W102 HydrophobicContact CB-CE3 4.27Å; F94-G103 PolarHBondContact O-N 2.89Å; F94-Y108 WeakPolarHBondContact CA-OH 3.47Å; F94-Y108 HydrophobicContact CB-CE2 4.49Å; F94-Y108 AromaticContact CD1-CD1 3.83Å; F94-Y108 HydrophobicContact CD1-CD1 3.83Å; F94-Y108 AromaticContact CD1-CD2 3.82Å; F94-Y108 HydrophobicContact CD1-CD2 3.82Å; F94-Y108 AromaticContact CD1-CE1 3.77Å; F94-Y108 HydrophobicContact CD1-CE1 3.77Å; F94-Y108 AromaticContact CD1-CE2 3.78Å; F94-Y108 HydrophobicContact CD1-CE2 3.78Å; F94-Y108 AromaticContact CD1-CG 3.85Å; F94-Y108 HydrophobicContact CD1-CG 3.85Å; F94-Y108 AromaticContact CD1-CZ 3.77Å; F94-Y108 AromaticContact CE1-CD1 4Å; F94-Y108 HydrophobicContact CE1-CD1 4Å; F94-Y108 HydrophobicContact CE1-CD2 4.27Å; F94-Y108 HydrophobicContact CE1-CE1 4.37Å; F94-Y108 AromaticContact CE1-CG 3.94Å; F94-Y108 HydrophobicContact CE1-CG 3.94Å; F94-Y108 PolarHBondContact O-OH 3.15Å; F94-I132 HydrophobicContact CD1-CD1 3.54Å; F94-I132 HydrophobicContact CD2-CD1 4.48Å; F94-I132 HydrophobicContact CD2-CG2 3.56Å; F94-I132 HydrophobicContact CE1-CD1 3.73Å; F94-I132 HydrophobicContact CE1-CG1 4.5Å; F94-I132 HydrophobicContact CE2-CG2 3.6Å; F94-I132 HydrophobicContact CG-CD1 3.94Å; F94-I132 HydrophobicContact CG-CG2 4.04Å; F94-I132 HydrophobicContact CZ-CD1 4.28Å; F94-I132 HydrophobicContact CZ-CG2 4.13Å; F94-I134 HydrophobicContact CB-CD1 4.28Å; F94-I134 HydrophobicContact CD2-CD1 4.27Å; F94-I134 HydrophobicContact CD2-CG1 4.31Å; F94-A149 HydrophobicContact CD2-CB 4.26Å; F94-A149 HydrophobicContact CE2-CB 3.93Å; F94-V151 HydrophobicContact CE1-CG2 4.4Å; F94-V151 HydrophobicContact CE2-CG2 3.96Å; F94-V151 HydrophobicContact CZ-CG2 3.47Å; F94-V151 VanDerWaalsContact CZ-CG2 3.47Å |
| 95 | R | 84.5 | Confident | 83.7 | Confident | 74 Ų | 74 | 49.5 Ų | 49.5 | 28% | 0.279 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 130.5 | 179.2 | -162.2 | 163.6 | -177 | 175.9 | -2.9 | 111.2 | S92 S97 W102 N146 | S92-R95 PolarHBondContact O-N 2.89Å; R95-S97 PolarHBondContact O-N 3.14Å; R95-W102 HydrophobicContact CB-CE3 4.13Å; R95-W102 HydrophobicContact CB-CH2 4.33Å; R95-W102 HydrophobicContact CB-CZ3 3.79Å; R95-W102 HydrophobicContact CG-CH2 4.47Å; R95-W102 HydrophobicContact CG-CZ3 4.29Å; R95-N146 WeakPolarHBondContact CD-OD1 3.46Å; R95-N146 PolarHBondContact NH1-OD1 2.7Å |
| 96 | R | 72.9 | Confident | 83.5 | Confident | 101 Ų | 101 | 51.3 Ų | 51.3 | 38% | 0.381 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 99.5 | 176.6 | -59.4 | -171.3 | -169.5 | -159.6 | 9 | 109.9 | L98 R99 K100 T101 H107 | R96-L98 VanDerWaalsContact C-N 3.33Å; R96-L98 PolarHBondContact O-N 3.33Å; R96-L98 VanDerWaalsContact O-N 3.17Å; R96-R99 PolarHBondContact O-N 3.47Å; R96-K100 WeakPolarHBondContact O-CA 3.45Å; R96-K100 PolarHBondContact O-N 3.5Å; R96-T101 WeakPolarHBondContact CB-O 2.99Å; R96-T101 PolarHBondContact N-O 3.16Å; R96-H107 PolarHBondContact NH2-ND1 3.48Å |
| 97 | S | 62.1 | Low | 83.3 | Confident | 108 Ų | 108 | 53.5 Ų | 53.5 | 76% | 0.755 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -38.3 | -55.7 | 177.8 | 165.6 | 0 | 0 | 0 | 0 | 113.6 | R95 R99 | R95-S97 PolarHBondContact O-N 3.14Å; S97-R99 PolarHBondContact O-N 3.26Å |
| 98 | L | 59.6 | Low | 83.2 | Confident | 176 Ų | 176 | 53.9 Ų | 53.9 | 92% | 0.921 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -65.4 | -24.1 | -176.8 | -71 | 169.3 | 0 | 0 | 0 | 116.6 | R96 | R96-L98 VanDerWaalsContact C-N 3.33Å; R96-L98 PolarHBondContact O-N 3.33Å; R96-L98 VanDerWaalsContact O-N 3.17Å |
| 99 | R | 58.4 | Low | 83 | Confident | 198 Ų | 198 | 57.8 Ų | 57.8 | 75% | 0.747 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -117.4 | -4.2 | -177.8 | -69.5 | -168.3 | -179.5 | -174.8 | 0.7 | 113.6 | R96 S97 T101 | R96-R99 PolarHBondContact O-N 3.47Å; S97-R99 PolarHBondContact O-N 3.26Å; R99-T101 HydrophobicContact CB-CG2 4.28Å; R99-T101 PolarHBondContact O-N 2.84Å |
| 100 | K | 64.5 | Low | 83 | Confident | 99 Ų | 99 | 57.9 Ų | 57.9 | 43% | 0.43 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 20.4 | -168.7 | -57.8 | -159.2 | 177 | -153.8 | 0 | 114.7 | R96 E142 E537 | R96-K100 WeakPolarHBondContact O-CA 3.45Å; R96-K100 PolarHBondContact O-N 3.5Å; K100-E142 IonicContact NZ-OE2 3.38Å; K100-E142 PolarHBondContact NZ-OE2 3.13Å; K100-E537 VanDerWaalsContact NZ-CD 3.34Å; K100-E537 IonicContact NZ-OE1 3.13Å; K100-E537 PolarHBondContact NZ-OE1 2.7Å; K100-E537 IonicContact NZ-OE2 2.76Å; K100-E537 PolarHBondContact NZ-OE2 3.15Å |
| 101 | T | 76.1 | Confident | 82.9 | Confident | 66 Ų | 66 | 59 Ų | 59 | 41% | 0.405 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 156 | 178.4 | 56.2 | 0 | 0 | 0 | 0 | 113.3 | R96 R99 | R96-T101 WeakPolarHBondContact CB-O 2.99Å; R96-T101 PolarHBondContact N-O 3.16Å; R99-T101 HydrophobicContact CB-CG2 4.28Å; R99-T101 PolarHBondContact O-N 2.84Å |
| 102 | W | 83 | Confident | 82.9 | Confident | 70 Ų | 70 | 59 Ų | 59 | 27% | 0.265 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 149.9 | 170.4 | -58.2 | 109.9 | 0 | 0 | 0 | 112 | F94 R95 I134 N146 I287 L289 | F94-W102 HydrophobicContact CB-CE3 4.27Å; R95-W102 HydrophobicContact CB-CE3 4.13Å; R95-W102 HydrophobicContact CB-CH2 4.33Å; R95-W102 HydrophobicContact CB-CZ3 3.79Å; R95-W102 HydrophobicContact CG-CH2 4.47Å; R95-W102 HydrophobicContact CG-CZ3 4.29Å; W102-I134 HydrophobicContact CD2-CD1 4.49Å; W102-I134 HydrophobicContact CE3-CD1 3.78Å; W102-I134 HydrophobicContact CH2-CD1 4.32Å; W102-I134 HydrophobicContact CH2-CG2 4.3Å; W102-I134 HydrophobicContact CZ3-CD1 3.68Å; W102-N146 HydrophobicContact CH2-CB 4.34Å; W102-N146 WeakPolarHBondContact CH2-OD1 3.43Å; W102-I287 HydrophobicContact CD2-CG2 4.26Å; W102-I287 HydrophobicContact CG-CG2 4.44Å; W102-I287 HydrophobicContact CH2-CD1 4.21Å; W102-I287 HydrophobicContact CZ2-CD1 3.34Å; W102-I287 HydrophobicContact CZ2-CG2 4.38Å; W102-L289 HydrophobicContact CB-CD1 3.98Å; W102-L289 HydrophobicContact CB-CD2 3.86Å; W102-L289 HydrophobicContact CE3-CD1 4.45Å; W102-L289 HydrophobicContact CG-CD1 4.4Å; W102-L289 HydrophobicContact CG-CD2 4.18Å |
| 103 | G | 83.4 | Confident | 82.8 | Confident | 2 Ų | 2 | 59 Ų | 59 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -90.5 | 145.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F94 | F94-G103 PolarHBondContact O-N 2.89Š|
| 104 | S | 88.2 | Confident | 82.4 | Confident | 57 Ų | 57 | 59.7 Ų | 59.7 | 40% | 0.399 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 140.3 | 169.3 | 177.8 | 0 | 0 | 0 | 0 | 110.7 | S106 H107 Y108 | S104-S106 PolarHBondContact O-N 3.37Å; S104-S106 VanDerWaalsContact O-N 3.13Å; S104-S106 PolarHBondContact OG-OG 3.48Å; S104-H107 WeakPolarHBondContact O-CB 3.44Å; S104-H107 PolarHBondContact O-N 3.06Å; S104-Y108 VanDerWaalsContact O-CD2 3.29Å; S104-Y108 WeakPolarHBondContact O-CD2 3.39Å; S104-Y108 WeakPolarHBondContact O-CE2 3.42Å |
| 105 | P | 90.8 | Very high | 81.5 | Confident | 8 Ų | 8 | 63.2 Ų | 63.2 | 5% | 0.052 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -51.8 | -35.4 | 175.3 | -27.2 | 34.7 | 0 | 0 | 0 | 113.4 | H107 Y108 A129 I132 L289 | P105-H107 PolarHBondContact O-N 2.99Å; P105-Y108 PolarHBondContact O-N 3.35Å; P105-A129 CarbonylContact C-O 3.55Å; P105-A129 HydrophobicContact CB-CB 4.01Å; P105-A129 WeakPolarHBondContact O-CB 3.3Å; P105-I132 HydrophobicContact CB-CD1 4.02Å; P105-I132 HydrophobicContact CB-CG1 4.12Å; P105-I132 HydrophobicContact CG-CD1 4.11Å; P105-I132 HydrophobicContact CG-CG1 4.15Å; P105-L289 HydrophobicContact CG-CB 3.9Å; P105-L289 WeakPolarHBondContact CG-O 3.34Å |
| 106 | S | 89.3 | Confident | 80.8 | Confident | 65 Ų | 65 | 64.2 Ų | 64.2 | 46% | 0.455 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -59.6 | -19.7 | 178.1 | 62.7 | 0 | 0 | 0 | 0 | 114.3 | S104 Y108 | S104-S106 PolarHBondContact O-N 3.37Å; S104-S106 VanDerWaalsContact O-N 3.13Å; S104-S106 PolarHBondContact OG-OG 3.48Å; S106-Y108 VanDerWaalsContact C-N 3.31Å |
| 107 | H | 91.1 | Very high | 80.6 | Confident | 70 Ų | 70 | 59.5 Ų | 59.5 | 32% | 0.324 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -84.7 | -1.2 | 178.7 | -64.5 | -166.1 | 0 | 0 | 0 | 113.3 | N59 S60 R96 S104 P105 | N59-H107 CarbonylContact C-O 3.52Å; N59-H107 VanDerWaalsContact C-O 3.23Å; N59-H107 VanDerWaalsContact CA-O 3.27Å; N59-H107 WeakPolarHBondContact CA-O 3.47Å; S60-H107 PolarHBondContact N-O 3.02Å; R96-H107 PolarHBondContact NH2-ND1 3.48Å; S104-H107 WeakPolarHBondContact O-CB 3.44Å; S104-H107 PolarHBondContact O-N 3.06Å; P105-H107 PolarHBondContact O-N 2.99Å |
| 108 | Y | 93.3 | Very high | 80.8 | Confident | 9 Ų | 9 | 60.3 Ų | 60.3 | 4% | 0.035 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 132.1 | -177.3 | -59.1 | -82.7 | 0 | 0 | 0 | 111.5 | I57 R58 K65 F94 S104 P105 S106 A129 I132 | I57-Y108 HydrophobicContact CG2-CD1 4.23Å; R58-Y108 WeakPolarHBondContact O-CA 3.38Å; K65-Y108 HydrophobicContact CG-CE1 4.47Å; F94-Y108 WeakPolarHBondContact CA-OH 3.47Å; F94-Y108 HydrophobicContact CB-CE2 4.49Å; F94-Y108 AromaticContact CD1-CD1 3.83Å; F94-Y108 HydrophobicContact CD1-CD1 3.83Å; F94-Y108 AromaticContact CD1-CD2 3.82Å; F94-Y108 HydrophobicContact CD1-CD2 3.82Å; F94-Y108 AromaticContact CD1-CE1 3.77Å; F94-Y108 HydrophobicContact CD1-CE1 3.77Å; F94-Y108 AromaticContact CD1-CE2 3.78Å; F94-Y108 HydrophobicContact CD1-CE2 3.78Å; F94-Y108 AromaticContact CD1-CG 3.85Å; F94-Y108 HydrophobicContact CD1-CG 3.85Å; F94-Y108 AromaticContact CD1-CZ 3.77Å; F94-Y108 AromaticContact CE1-CD1 4Å; F94-Y108 HydrophobicContact CE1-CD1 4Å; F94-Y108 HydrophobicContact CE1-CD2 4.27Å; F94-Y108 HydrophobicContact CE1-CE1 4.37Å; F94-Y108 AromaticContact CE1-CG 3.94Å; F94-Y108 HydrophobicContact CE1-CG 3.94Å; F94-Y108 PolarHBondContact O-OH 3.15Å; S104-Y108 VanDerWaalsContact O-CD2 3.29Å; S104-Y108 WeakPolarHBondContact O-CD2 3.39Å; S104-Y108 WeakPolarHBondContact O-CE2 3.42Å; P105-Y108 PolarHBondContact O-N 3.35Å; S106-Y108 VanDerWaalsContact C-N 3.31Å; Y108-A129 PolarHBondContact O-N 2.84Å; Y108-A129 VanDerWaalsContact O-N 3.1Å; Y108-I132 HydrophobicContact CD2-CD1 3.97Å; Y108-I132 HydrophobicContact CE2-CD1 4.44Å |
| 109 | K | 93.3 | Very high | 80.6 | Confident | 82 Ų | 82 | 57.3 Ų | 57.3 | 36% | 0.357 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 129.5 | 174.8 | -67 | 174.9 | -177.6 | 170.6 | 0 | 108.4 | R58 Y111 S127 K128 | R58-K109 PolarHBondContact N-O 3.1Å; R58-K109 PolarHBondContact O-N 3.31Å; K109-Y111 HydrophobicContact CB-CD2 4.43Å; K109-Y111 HydrophobicContact CB-CE2 3.68Å; K109-S127 CarbonylContact C-O 3.55Å; K109-S127 WeakPolarHBondContact CA-O 3.49Å; K109-K128 HydrophobicContact CG-CG 4.39Å |
| 110 | V | 94.6 | Very high | 80.4 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 141 | 175.2 | -170.3 | 0 | 0 | 0 | 0 | 108.5 | V55 I57 V87 K126 S127 V151 L153 F157 | V55-V110 HydrophobicContact CB-CG1 3.75Å; V55-V110 HydrophobicContact CG1-CG1 4.27Å; V55-V110 HydrophobicContact CG2-CG1 3.76Å; I57-V110 HydrophobicContact CG1-CG2 4.32Å; V87-V110 HydrophobicContact CG1-CG1 4.42Å; V87-V110 HydrophobicContact CG2-CG1 4.26Å; V110-K126 WeakPolarHBondContact O-CA 3.28Å; V110-S127 PolarHBondContact N-O 3.4Å; V110-S127 PolarHBondContact O-N 3.09Å; V110-V151 HydrophobicContact CG2-CG1 4.49Å; V110-L153 HydrophobicContact CB-CD2 3.95Å; V110-L153 HydrophobicContact CG2-CD2 3.71Å; V110-F157 HydrophobicContact CB-CE2 4.45Å; V110-F157 HydrophobicContact CB-CZ 4.26Å; V110-F157 HydrophobicContact CG1-CE2 3.98Å; V110-F157 HydrophobicContact CG1-CZ 4.15Å |
| 111 | Y | 93.2 | Very high | 80.1 | Confident | 25 Ų | 25 | 58.3 Ų | 58.3 | 10% | 0.098 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 133.3 | -177 | -70.4 | -95.2 | 0 | 0 | 0 | 109.9 | V55 A56 R58 K109 L114 N122 E125 K126 | V55-Y111 CarbonylContact C-O 3.53Å; V55-Y111 VanDerWaalsContact CA-O 3.23Å; V55-Y111 WeakPolarHBondContact CA-O 3.34Å; V55-Y111 VanDerWaalsContact CB-O 3.25Å; V55-Y111 WeakPolarHBondContact CB-O 3.43Å; A56-Y111 PolarHBondContact N-O 3.43Å; A56-Y111 PolarHBondContact O-N 3.36Å; R58-Y111 HydrophobicContact CB-CE2 4.08Å; R58-Y111 HydrophobicContact CG-CD2 4.38Å; R58-Y111 HydrophobicContact CG-CE2 4.1Å; K109-Y111 HydrophobicContact CB-CD2 4.43Å; K109-Y111 HydrophobicContact CB-CE2 3.68Å; Y111-L114 HydrophobicContact CD1-CD2 4.02Å; Y111-L114 HydrophobicContact CG-CD2 4.37Å; Y111-N122 HydrophobicContact CD1-CB 4.45Å; Y111-N122 HydrophobicContact CE1-CB 4.49Å; Y111-E125 CarbonylContact C-O 3.23Å; Y111-E125 WeakPolarHBondContact CA-O 3.28Å; Y111-K126 HydrophobicContact CD1-CB 3.76Å; Y111-K126 HydrophobicContact CE1-CB 3.71Å; Y111-K126 HydrophobicContact CE1-CD 4.33Å; Y111-K126 HydrophobicContact CG-CB 4.46Å |
| 112 | A | 92.1 | Very high | 79.3 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 156.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V55 I70 G124 E125 F157 I163 | V55-A112 HydrophobicContact CG1-CB 3.79Å; I70-A112 HydrophobicContact CD1-CB 3.95Å; A112-G124 CarbonylContact O-C 3.48Å; A112-G124 WeakPolarHBondContact O-CA 3.29Å; A112-E125 PolarHBondContact N-O 3.1Å; A112-E125 PolarHBondContact O-N 2.88Å; A112-F157 HydrophobicContact CB-CD1 4.23Å; A112-F157 HydrophobicContact CB-CD2 3.92Å; A112-F157 HydrophobicContact CB-CE1 4.06Å; A112-F157 HydrophobicContact CB-CE2 3.73Å; A112-F157 HydrophobicContact CB-CG 4.17Å; A112-F157 HydrophobicContact CB-CZ 3.8Å; A112-I163 HydrophobicContact CB-CD1 3.98Å; A112-I163 HydrophobicContact CB-CG1 4.33Å |
| 113 | G | 86.7 | Confident | 78.7 | Confident | 24 Ų | 24 | 61.3 Ų | 61.3 | 25% | 0.247 | 30% | 0.304 | C | S | . | . | S | Bend | trans | 63.9 | 48.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | G124 H162 | G113-G124 VanDerWaalsContact O-CA 3.31Å; G113-G124 WeakPolarHBondContact O-CA 3.34Å; G113-H162 WeakPolarHBondContact CA-O 3.37Å |
| 114 | L | 83.1 | Confident | 78.3 | Confident | 18 Ų | 18 | 61.9 Ų | 61.9 | 9% | 0.094 | 31% | 0.31 | C | S | . | . | trans | -149.7 | 135.7 | -179 | 38.3 | 78.9 | 0 | 0 | 0 | 113 | Y111 L117 N122 L191 | Y111-L114 HydrophobicContact CD1-CD2 4.02Å; Y111-L114 HydrophobicContact CG-CD2 4.37Å; L114-L117 HydrophobicContact CD1-CD1 3.66Å; L114-N122 HydrophobicContact CD2-CB 3.88Å; L114-L191 HydrophobicContact CD1-CD1 4.49Å | ||
| 115 | D | 71.2 | Confident | 78.3 | Confident | 74 Ų | 74 | 61.2 Ų | 61.2 | 40% | 0.396 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -75.9 | -39 | -178.9 | 71.2 | -43.1 | 0 | 0 | 0 | 112.3 | V50 L191 | V50-D115 HydrophobicContact CG2-CB 4.46Å; D115-L191 PolarHBondContact O-N 2.88Å; D115-L191 VanDerWaalsContact O-N 3.14Å |
| 116 | R | 69.5 | Low | 78.3 | Confident | 96 Ų | 96 | 67.7 Ų | 67.7 | 36% | 0.362 | 33% | 0.328 | S | S | . | . | B | Isolated β-bridge | trans | -132.8 | 137.4 | -171.5 | -72.5 | 179.3 | -147.9 | -161.7 | 5.5 | 112.6 | R118 R189 R190 | R116-R118 PolarHBondContact O-N 3.25Å; R116-R189 WeakPolarHBondContact CA-O 3.44Å; R116-R190 HydrophobicContact CG-CG 4.03Å |
| 117 | L | 68.9 | Low | 78.5 | Confident | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | trans | -87.8 | 82.6 | 173.2 | -119.9 | 72.1 | 0 | 0 | 0 | 110.3 | A56 R58 F64 L114 Y186 R189 L191 | A56-L117 HydrophobicContact CB-CD1 3.44Å; A56-L117 VanDerWaalsContact CB-CD1 3.44Å; A56-L117 HydrophobicContact CB-CD2 4.03Å; A56-L117 HydrophobicContact CB-CG 4.4Å; R58-L117 HydrophobicContact CG-CD2 4.14Å; R58-L117 VanDerWaalsContact NE-CD2 3.28Å; R58-L117 VanDerWaalsContact NH2-CG 3.31Å; R58-L117 PolarHBondContact NH2-O 2.92Å; F64-L117 HydrophobicContact CB-CD2 4.26Å; F64-L117 HydrophobicContact CD2-CD2 3.84Å; L114-L117 HydrophobicContact CD1-CD1 3.66Å; L117-Y186 HydrophobicContact CB-CE2 3.95Å; L117-Y186 HydrophobicContact CD2-CE2 4.19Å; L117-R189 PolarHBondContact N-O 3.47Å; L117-L191 HydrophobicContact CD1-CD1 4.1Å | ||
| 118 | R | 66.3 | Low | 78.6 | Confident | 124 Ų | 124 | 66.9 Ų | 66.9 | 47% | 0.468 | 32% | 0.316 | S | S | . | . | trans | -69 | 154.7 | 172.6 | -57.6 | -174.8 | -176.9 | -164.2 | 1.1 | 110.6 | R58 R116 F120 N122 | R58-R118 VanDerWaalsContact CZ-O 3.29Å; R58-R118 PolarHBondContact NH1-O 3.13Å; R58-R118 PolarHBondContact NH2-O 2.86Å; R116-R118 PolarHBondContact O-N 3.25Å; R118-F120 WeakPolarHBondContact CB-O 3.36Å; R118-N122 WeakPolarHBondContact CA-OD1 3.33Å; R118-N122 WeakPolarHBondContact CB-OD1 3.16Å; R118-N122 PolarHBondContact N-OD1 2.81Å; R118-N122 PolarHBondContact O-OD1 3Å; R118-N122 VanDerWaalsContact O-OD1 3.1Å | ||
| 119 | L | 55.9 | Low | 78.6 | Confident | 113 Ų | 113 | 66.5 Ų | 66.5 | 59% | 0.592 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -69.4 | -39.7 | 176.2 | -85.8 | 108.9 | 0 | 0 | 0 | 111.2 | ||
| 120 | F | 54 | Low | 78.7 | Confident | 167 Ų | 167 | 67.9 Ų | 67.9 | 73% | 0.732 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -123.5 | 156.4 | 175.7 | -51.1 | -80.1 | 0 | 0 | 0 | 108.7 | R118 | R118-F120 WeakPolarHBondContact CB-O 3.36Š|
| 121 | L | 58.6 | Low | 78.6 | Confident | 152 Ų | 152 | 67.8 Ų | 67.8 | 80% | 0.796 | 32% | 0.317 | S | S | * | . | trans | 51.5 | 68.3 | 174.1 | -62 | 164.2 | 0 | 0 | 0 | 114.4 | ||||
| 122 | N | 59.8 | Low | 78.6 | Confident | 34 Ų | 34 | 66.6 Ų | 66.6 | 18% | 0.182 | 31% | 0.313 | C | S | . | . | trans | -81.5 | 131.8 | 163.1 | -69.4 | -15.5 | 0 | 0 | 0 | 109 | R58 Y111 L114 R118 | R58-N122 PolarHBondContact NH1-ND2 3.24Å; Y111-N122 HydrophobicContact CD1-CB 4.45Å; Y111-N122 HydrophobicContact CE1-CB 4.49Å; L114-N122 HydrophobicContact CD2-CB 3.88Å; R118-N122 WeakPolarHBondContact CA-OD1 3.33Å; R118-N122 WeakPolarHBondContact CB-OD1 3.16Å; R118-N122 PolarHBondContact N-OD1 2.81Å; R118-N122 PolarHBondContact O-OD1 3Å; R118-N122 VanDerWaalsContact O-OD1 3.1Å | ||
| 123 | H | 68.5 | Low | 78.6 | Confident | 165 Ų | 165 | 70.1 Ų | 70.1 | 76% | 0.764 | 33% | 0.326 | S | S | * | . | trans | -79.6 | -18 | -178.6 | -68.3 | -83.5 | 0 | 0 | 0 | 114.8 | ||||
| 124 | G | 76.7 | Confident | 78.8 | Confident | 13 Ų | 13 | 69 Ų | 69 | 13% | 0.134 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -81.6 | 165 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | A112 G113 | A112-G124 CarbonylContact O-C 3.48Å; A112-G124 WeakPolarHBondContact O-CA 3.29Å; G113-G124 VanDerWaalsContact O-CA 3.31Å; G113-G124 WeakPolarHBondContact O-CA 3.34Å |
| 125 | E | 87.5 | Confident | 79 | Confident | 44 Ų | 44 | 68.6 Ų | 68.6 | 21% | 0.206 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 147.3 | -178 | -164.6 | 170.5 | -160 | 0 | 0 | 111.7 | Y111 A112 K155 F157 V158 I163 | Y111-E125 CarbonylContact C-O 3.23Å; Y111-E125 WeakPolarHBondContact CA-O 3.28Å; A112-E125 PolarHBondContact N-O 3.1Å; A112-E125 PolarHBondContact O-N 2.88Å; E125-K155 IonicContact OE1-NZ 2.64Å; E125-K155 PolarHBondContact OE1-NZ 2.92Å; E125-F157 HydrophobicContact CB-CD1 3.96Å; E125-F157 HydrophobicContact CB-CE1 4.06Å; E125-F157 HydrophobicContact CG-CD1 3.72Å; E125-F157 HydrophobicContact CG-CE1 3.93Å; E125-F157 WeakPolarHBondContact OE2-CD1 3.3Å; E125-V158 PolarHBondContact OE2-N 2.73Å; E125-I163 HydrophobicContact CB-CD1 3.84Å |
| 126 | K | 90.5 | Very high | 79.5 | Confident | 143 Ų | 143 | 66 Ų | 66 | 62% | 0.622 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 137.6 | -177.9 | 73.3 | -162.3 | 177 | -157.9 | 0 | 112 | V110 Y111 | V110-K126 WeakPolarHBondContact O-CA 3.28Å; Y111-K126 HydrophobicContact CD1-CB 3.76Å; Y111-K126 HydrophobicContact CE1-CB 3.71Å; Y111-K126 HydrophobicContact CE1-CD 4.33Å; Y111-K126 HydrophobicContact CG-CB 4.46Å |
| 127 | S | 93.2 | Very high | 79.7 | Confident | 8 Ų | 8 | 62 Ų | 62 | 6% | 0.056 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 156.6 | 175.1 | -165.9 | 0 | 0 | 0 | 0 | 111.4 | K109 V110 K155 | K109-S127 CarbonylContact C-O 3.55Å; K109-S127 WeakPolarHBondContact CA-O 3.49Å; V110-S127 PolarHBondContact N-O 3.4Å; V110-S127 PolarHBondContact O-N 3.09Å; S127-K155 WeakPolarHBondContact CB-O 3.35Å; S127-K155 PolarHBondContact OG-N 2.73Å; S127-K155 VanDerWaalsContact OG-N 3.11Å; S127-K155 PolarHBondContact OG-O 3.05Å |
| 128 | K | 93.7 | Very high | 79.4 | Confident | 111 Ų | 111 | 63.2 Ų | 63.2 | 48% | 0.483 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 146.3 | 173.5 | -69.7 | 178.9 | -177.8 | 174 | 0 | 108.8 | K109 R130 K154 | K109-K128 HydrophobicContact CG-CG 4.39Å; K128-R130 PolarHBondContact O-N 3.19Å; K128-K154 HydrophobicContact CB-CD 4.14Å; K128-K154 HydrophobicContact CB-CG 4.32Å; K128-K154 WeakPolarHBondContact O-CB 3.46Å; K128-K154 PolarHBondContact O-N 3.13Å |
| 129 | A | 93.6 | Very high | 79 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.008 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 133.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | P105 Y108 I132 V151 | P105-A129 CarbonylContact C-O 3.55Å; P105-A129 HydrophobicContact CB-CB 4.01Å; P105-A129 WeakPolarHBondContact O-CB 3.3Å; Y108-A129 PolarHBondContact O-N 2.84Å; Y108-A129 VanDerWaalsContact O-N 3.1Å; A129-I132 HydrophobicContact CB-CD1 4.29Å; A129-I132 HydrophobicContact CB-CG1 4.1Å; A129-V151 HydrophobicContact CB-CG1 3.64Å |
| 130 | R | 94.3 | Very high | 78.6 | Confident | 110 Ų | 110 | 52.7 Ų | 52.7 | 42% | 0.415 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -52.8 | 171.4 | 179.8 | -176 | 176 | 174 | 4.5 | 109.8 | K128 T152 K154 S291 G293 | K128-R130 PolarHBondContact O-N 3.19Å; R130-T152 WeakPolarHBondContact CB-O 3.32Å; R130-T152 PolarHBondContact N-O 2.94Å; R130-K154 HydrophobicContact CB-CG 3.73Å; R130-K154 HydrophobicContact CG-CG 4.45Å; R130-S291 PolarHBondContact NE-O 2.98Å; R130-G293 PolarHBondContact NH2-O 2.83Å |
| 131 | A | 93.8 | Very high | 79 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 155.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | T152 L289 T292 | A131-T152 PolarHBondContact N-O 3.07Å; A131-T152 PolarHBondContact O-N 3.15Å; A131-L289 CarbonylContact C-O 3.56Å; A131-L289 WeakPolarHBondContact CA-O 3.33Å; A131-T292 HydrophobicContact CB-CG2 3.94Å |
| 132 | I | 93.3 | Very high | 79.1 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 122.5 | 176.4 | -53.6 | 165.7 | 0 | 0 | 0 | 106.6 | F94 P105 Y108 A129 I134 A149 L150 V151 L289 | F94-I132 HydrophobicContact CD1-CD1 3.54Å; F94-I132 HydrophobicContact CD2-CD1 4.48Å; F94-I132 HydrophobicContact CD2-CG2 3.56Å; F94-I132 HydrophobicContact CE1-CD1 3.73Å; F94-I132 HydrophobicContact CE1-CG1 4.5Å; F94-I132 HydrophobicContact CE2-CG2 3.6Å; F94-I132 HydrophobicContact CG-CD1 3.94Å; F94-I132 HydrophobicContact CG-CG2 4.04Å; F94-I132 HydrophobicContact CZ-CD1 4.28Å; F94-I132 HydrophobicContact CZ-CG2 4.13Å; P105-I132 HydrophobicContact CB-CD1 4.02Å; P105-I132 HydrophobicContact CB-CG1 4.12Å; P105-I132 HydrophobicContact CG-CD1 4.11Å; P105-I132 HydrophobicContact CG-CG1 4.15Å; Y108-I132 HydrophobicContact CD2-CD1 3.97Å; Y108-I132 HydrophobicContact CE2-CD1 4.44Å; A129-I132 HydrophobicContact CB-CD1 4.29Å; A129-I132 HydrophobicContact CB-CG1 4.1Å; I132-I134 HydrophobicContact CG2-CD1 4.01Å; I132-I134 HydrophobicContact CG2-CG1 3.88Å; I132-A149 HydrophobicContact CG2-CB 4.48Å; I132-L150 WeakPolarHBondContact CA-O 3.47Å; I132-V151 HydrophobicContact CG1-CG1 4.39Å; I132-V151 HydrophobicContact CG1-CG2 4.43Å; I132-V151 HydrophobicContact CG2-CG2 4.32Å; I132-L289 HydrophobicContact CB-CB 4.23Å; I132-L289 HydrophobicContact CB-CD1 4.36Å; I132-L289 PolarHBondContact N-O 3.34Å; I132-L289 PolarHBondContact O-N 3.4Å |
| 133 | R | 92 | Very high | 79.5 | Confident | 74 Ų | 74 | 45.1 Ų | 45.1 | 28% | 0.279 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 112 | -179.6 | 174.6 | 173.5 | 166.5 | 124.2 | -0.1 | 107.3 | M135 A149 L150 E277 V286 Q288 | R133-M135 HydrophobicContact CB-CE 4.37Å; R133-M135 HydrophobicContact CG-CE 3.21Å; R133-M135 HydrophobicContact CG-SD 3.62Å; R133-A149 CarbonylContact O-C 3.07Å; R133-A149 VanDerWaalsContact O-CA 3.26Å; R133-A149 WeakPolarHBondContact O-CA 3.3Å; R133-L150 HydrophobicContact CB-CB 4.44Å; R133-L150 PolarHBondContact N-O 2.74Å; R133-L150 PolarHBondContact O-N 2.99Å; R133-E277 PolarHBondContact NH2-O 3.09Å; R133-V286 HydrophobicContact CG-CG1 4.3Å; R133-Q288 VanDerWaalsContact CB-OE1 3.27Å |
| 134 | I | 90.1 | Very high | 79.8 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 125.5 | -174 | -63.7 | 145 | 0 | 0 | 0 | 110.1 | F94 W102 I132 P136 N146 A149 I287 L289 | F94-I134 HydrophobicContact CB-CD1 4.28Å; F94-I134 HydrophobicContact CD2-CD1 4.27Å; F94-I134 HydrophobicContact CD2-CG1 4.31Å; W102-I134 HydrophobicContact CD2-CD1 4.49Å; W102-I134 HydrophobicContact CE3-CD1 3.78Å; W102-I134 HydrophobicContact CH2-CD1 4.32Å; W102-I134 HydrophobicContact CH2-CG2 4.3Å; W102-I134 HydrophobicContact CZ3-CD1 3.68Å; I132-I134 HydrophobicContact CG2-CD1 4.01Å; I132-I134 HydrophobicContact CG2-CG1 3.88Å; I134-P136 VanDerWaalsContact O-CD 3.3Å; I134-P136 WeakPolarHBondContact O-CD 3.28Å; I134-N146 VanDerWaalsContact CG2-O 3.26Å; I134-N146 WeakPolarHBondContact CG2-O 3.3Å; I134-A149 HydrophobicContact CB-CB 4.3Å; I134-A149 HydrophobicContact CG1-CB 3.65Å; I134-I287 HydrophobicContact CB-CB 4.16Å; I134-I287 HydrophobicContact CD1-CG2 4.33Å; I134-I287 PolarHBondContact N-O 3.28Å; I134-I287 PolarHBondContact O-N 2.93Å; I134-L289 HydrophobicContact CD1-CD1 3.66Å; I134-L289 HydrophobicContact CD1-CG 4.33Å |
| 135 | M | 87.2 | Confident | 79.7 | Confident | 10 Ų | 10 | 39.4 Ų | 39.4 | 5% | 0.049 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 91.3 | -178.1 | -74.1 | 61.9 | -103.1 | 0 | 0 | 107.5 | R133 G147 V148 T274 V286 | R133-M135 HydrophobicContact CB-CE 4.37Å; R133-M135 HydrophobicContact CG-CE 3.21Å; R133-M135 HydrophobicContact CG-SD 3.62Å; M135-G147 WeakPolarHBondContact O-CA 3.37Å; M135-V148 HydrophobicContact CB-CG2 4.22Å; M135-V148 PolarHBondContact N-O 2.02Å; M135-V148 PolarHBondContact O-N 3.39Å; M135-T274 HydrophobicContact CB-CG2 4.08Å; M135-T274 WeakPolarHBondContact CB-O 3.27Å; M135-T274 WeakPolarHBondContact CG-O 3.12Å; M135-V286 HydrophobicContact CE-CB 3.83Å; M135-V286 HydrophobicContact CE-CG1 3.34Å; M135-V286 HydrophobicContact CE-CG2 3.54Å |
| 136 | P | 82.6 | Confident | 79.5 | Confident | 19 Ų | 19 | 37.8 Ų | 37.8 | 12% | 0.123 | 17% | 0.171 | C | C | . | . | trans | -71.2 | 140.6 | -177.4 | 31.7 | -35.8 | 0 | 0 | 0 | 110.7 | I134 N138 W145 N285 | I134-P136 VanDerWaalsContact O-CD 3.3Å; I134-P136 WeakPolarHBondContact O-CD 3.28Å; P136-N138 VanDerWaalsContact C-N 3.29Å; P136-N138 WeakPolarHBondContact CB-OD1 3.07Å; P136-W145 CarbonylContact C-O 3.54Å; P136-W145 VanDerWaalsContact CA-O 3.32Å; P136-W145 WeakPolarHBondContact CA-O 3.44Å; P136-W145 VanDerWaalsContact CB-O 3.22Å; P136-W145 WeakPolarHBondContact CB-O 3.47Å; P136-N285 VanDerWaalsContact CD-O 3.29Å; P136-N285 WeakPolarHBondContact CD-O 2.99Å; P136-N285 HydrophobicContact CG-CB 4.19Å; P136-N285 VanDerWaalsContact CG-O 3.3Å; P136-N285 WeakPolarHBondContact CG-O 3.23Å | ||
| 137 | Y | 73.6 | Confident | 79.4 | Confident | 12 Ų | 12 | 31 Ų | 31 | 5% | 0.047 | 14% | 0.142 | C | C | . | . | trans | -72.8 | -25.1 | 170.4 | -81.1 | -55.2 | 0 | 0 | 0 | 112.6 | T139 I144 W145 T215 L250 F268 G270 H271 T274 N398 | Y137-T139 VanDerWaalsContact C-N 3.35Å; Y137-T139 PolarHBondContact O-N 2.84Å; Y137-I144 HydrophobicContact CD2-CG2 3.87Å; Y137-W145 PolarHBondContact N-O 3.04Å; Y137-T215 HydrophobicContact CD1-CG2 4.03Å; Y137-T215 VanDerWaalsContact CE1-O 3.26Å; Y137-T215 WeakPolarHBondContact CE1-O 3.48Å; Y137-T215 HydrophobicContact CG-CG2 4.08Å; Y137-L250 HydrophobicContact CD2-CD1 3.77Å; Y137-L250 HydrophobicContact CE2-CD1 3.63Å; Y137-F268 HydrophobicContact CD2-CE1 4.26Å; Y137-F268 HydrophobicContact CE2-CE1 4.07Å; Y137-F268 HydrophobicContact CE2-CZ 4.47Å; Y137-G270 VanDerWaalsContact CE2-CA 3.49Å; Y137-G270 VanDerWaalsContact OH-C 3.3Å; Y137-G270 WeakPolarHBondContact OH-CA 3.37Å; Y137-H271 PolarHBondContact OH-N 3.35Å; Y137-T274 HydrophobicContact CD1-CG2 4.36Å; Y137-T274 HydrophobicContact CE1-CG2 3.62Å; Y137-T274 WeakPolarHBondContact OH-CB 2.93Å; Y137-T274 PolarHBondContact OH-OG1 2.71Å; Y137-N398 PolarHBondContact O-ND2 3.5Å; Y137-N398 PolarHBondContact O-OD1 2.9Å | ||
| 138 | N | 61.5 | Low | 79.3 | Confident | 28 Ų | 28 | 30.6 Ų | 30.6 | 15% | 0.15 | 14% | 0.139 | C | C | . | . | trans | 62.4 | 29.7 | -174.9 | -64.9 | -24 | 0 | 0 | 0 | 115.3 | P136 W145 N285 N398 | P136-N138 VanDerWaalsContact C-N 3.29Å; P136-N138 WeakPolarHBondContact CB-OD1 3.07Å; N138-W145 VanDerWaalsContact C-CZ3 3.41Å; N138-W145 HydrophobicContact CB-CE3 4.25Å; N138-W145 HydrophobicContact CB-CH2 4Å; N138-W145 HydrophobicContact CB-CZ3 3.79Å; N138-W145 PolarHBondContact N-O 3.26Å; N138-W145 WeakPolarHBondContact O-CZ3 3Å; N138-W145 WeakPolarHBondContact OD1-CZ2 2.97Å; N138-N285 PolarHBondContact ND2-OD1 3.23Å; N138-N398 HydrophobicContact CB-CB 4.31Å; N138-N398 WeakPolarHBondContact O-CA 3.32Å; N138-N398 VanDerWaalsContact O-CB 3.24Å; N138-N398 WeakPolarHBondContact O-CB 3.48Å | ||
| 139 | T | 57.9 | Low | 79.4 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | trans | -81 | 164 | 179.1 | 48.7 | 0 | 0 | 0 | 0 | 115.5 | Y137 N141 I144 W145 T215 N398 Q401 | Y137-T139 VanDerWaalsContact C-N 3.35Å; Y137-T139 PolarHBondContact O-N 2.84Å; T139-N141 VanDerWaalsContact C-N 3.26Å; T139-N141 PolarHBondContact O-N 2.76Å; T139-I144 HydrophobicContact CG2-CG2 4.5Å; T139-I144 WeakPolarHBondContact OG1-CG2 3.26Å; T139-W145 VanDerWaalsContact O-CE3 3.29Å; T139-T215 HydrophobicContact CG2-CG2 3.29Å; T139-N398 VanDerWaalsContact CG2-OD1 3.26Å; T139-N398 WeakPolarHBondContact CG2-OD1 3.41Å; T139-Q401 PolarHBondContact O-NE2 3.12Å | ||
| 140 | V | 48.7 | Very low | 79.4 | Confident | 16 Ų | 16 | 26.1 Ų | 26.1 | 10% | 0.097 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -64.7 | -30 | 177.7 | -161.7 | 0 | 0 | 0 | 0 | 113.7 | E142 E211 A400 Q401 R539 | V140-E142 PolarHBondContact O-N 3.12Å; V140-E211 WeakPolarHBondContact CB-OE2 3.1Å; V140-E211 HydrophobicContact CG2-CG 4.22Å; V140-E211 WeakPolarHBondContact CG2-OE1 3.36Å; V140-E211 WeakPolarHBondContact CG2-OE2 3.2Å; V140-A400 WeakPolarHBondContact CG1-O 3.45Å; V140-A400 HydrophobicContact CG2-CB 3.34Å; V140-A400 VanDerWaalsContact CG2-O 3.29Å; V140-A400 WeakPolarHBondContact CG2-O 3.07Å; V140-Q401 HydrophobicContact CB-CG 4.43Å; V140-Q401 HydrophobicContact CG1-CG 4.49Å; V140-Q401 HydrophobicContact CG2-CG 4.31Å; V140-R539 PolarHBondContact O-NH2 2.97Å |
| 141 | N | 62.3 | Low | 79.5 | Confident | 40 Ų | 40 | 21 Ų | 21 | 21% | 0.214 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -73.9 | 105 | 174.6 | -172.5 | -22.1 | 0 | 0 | 0 | 110.7 | T139 N143 I144 W145 L253 | T139-N141 VanDerWaalsContact C-N 3.26Å; T139-N141 PolarHBondContact O-N 2.76Å; N141-N143 PolarHBondContact O-N 2.84Å; N141-N143 VanDerWaalsContact O-N 3.08Å; N141-N143 WeakPolarHBondContact OD1-CB 3.36Å; N141-N143 PolarHBondContact OD1-N 3.13Å; N141-N143 VanDerWaalsContact OD1-N 3.15Å; N141-I144 HydrophobicContact CB-CB 4.32Å; N141-I144 HydrophobicContact CB-CD1 4.12Å; N141-I144 HydrophobicContact CB-CG1 4.35Å; N141-I144 PolarHBondContact O-N 2.97Å; N141-W145 PolarHBondContact O-N 2.85Å; N141-L253 WeakPolarHBondContact ND2-CD2 3.13Å |
| 142 | E | 61.3 | Low | 79.6 | Confident | 60 Ų | 60 | 22.1 Ų | 22.1 | 28% | 0.28 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -24.7 | -177.3 | -77.4 | -179.1 | -124.2 | 0 | 0 | 114.6 | K100 V140 I144 E537 R539 | K100-E142 IonicContact NZ-OE2 3.38Å; K100-E142 PolarHBondContact NZ-OE2 3.13Å; V140-E142 PolarHBondContact O-N 3.12Å; E142-I144 VanDerWaalsContact C-N 3.33Å; E142-E537 WeakPolarHBondContact OE1-CG 3.23Å; E142-R539 IonicContact OE1-CZ 2.66Å; E142-R539 VanDerWaalsContact OE1-CZ 3.3Å; E142-R539 IonicContact OE1-NE 3.47Å; E142-R539 PolarHBondContact OE1-NE 2.81Å; E142-R539 IonicContact OE1-NH2 3.3Å; E142-R539 PolarHBondContact OE1-NH2 3.24Å |
| 143 | N | 67.3 | Low | 79.7 | Confident | 93 Ų | 93 | 22.3 Ų | 22.3 | 50% | 0.497 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -32.2 | 176.7 | -59.1 | -19.9 | 0 | 0 | 0 | 111.5 | S92 N141 S251 | S92-N143 PolarHBondContact OG-O 3.16Å; N141-N143 PolarHBondContact O-N 2.84Å; N141-N143 VanDerWaalsContact O-N 3.08Å; N141-N143 WeakPolarHBondContact OD1-CB 3.36Å; N141-N143 PolarHBondContact OD1-N 3.13Å; N141-N143 VanDerWaalsContact OD1-N 3.15Å; N143-S251 WeakPolarHBondContact CB-OG 3.48Å; N143-S251 PolarHBondContact ND2-OG 2.84Å |
| 144 | I | 74.1 | Confident | 79.7 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -26.8 | -178.9 | -61.5 | 173.2 | 0 | 0 | 0 | 111.5 | Y137 T139 N141 E142 N146 G147 L212 L250 L253 F268 | Y137-I144 HydrophobicContact CD2-CG2 3.87Å; T139-I144 HydrophobicContact CG2-CG2 4.5Å; T139-I144 WeakPolarHBondContact OG1-CG2 3.26Å; N141-I144 HydrophobicContact CB-CB 4.32Å; N141-I144 HydrophobicContact CB-CD1 4.12Å; N141-I144 HydrophobicContact CB-CG1 4.35Å; N141-I144 PolarHBondContact O-N 2.97Å; E142-I144 VanDerWaalsContact C-N 3.33Å; I144-N146 PolarHBondContact O-N 2.61Å; I144-G147 PolarHBondContact O-N 2.99Å; I144-L212 HydrophobicContact CD1-CD2 3.78Å; I144-L250 HydrophobicContact CG2-CD1 4.25Å; I144-L253 HydrophobicContact CD1-CD2 3.89Å; I144-F268 HydrophobicContact CB-CD1 4.48Å; I144-F268 HydrophobicContact CD1-CB 3.86Å; I144-F268 HydrophobicContact CD1-CD1 3.64Å; I144-F268 HydrophobicContact CD1-CD2 3.97Å; I144-F268 HydrophobicContact CD1-CE1 4.2Å; I144-F268 HydrophobicContact CD1-CE2 4.48Å; I144-F268 HydrophobicContact CD1-CG 3.51Å; I144-F268 HydrophobicContact CG1-CB 4.49Å; I144-F268 HydrophobicContact CG1-CD1 3.81Å; I144-F268 HydrophobicContact CG1-CE1 4.34Å; I144-F268 HydrophobicContact CG1-CG 4.17Å; I144-F268 HydrophobicContact CG2-CD1 3.84Å; I144-F268 HydrophobicContact CG2-CE1 3.47Å; I144-F268 VanDerWaalsContact CG2-CE1 3.47Å; I144-F268 HydrophobicContact CG2-CZ 4.02Å |
| 145 | W | 74.9 | Confident | 79.8 | Confident | 59 Ų | 59 | 30.7 Ų | 30.7 | 22% | 0.223 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -39.7 | -47.6 | -177.1 | 173.7 | -83.9 | 0 | 0 | 0 | 114.8 | P136 Y137 N138 T139 N141 G147 Q401 | P136-W145 CarbonylContact C-O 3.54Å; P136-W145 VanDerWaalsContact CA-O 3.32Å; P136-W145 WeakPolarHBondContact CA-O 3.44Å; P136-W145 VanDerWaalsContact CB-O 3.22Å; P136-W145 WeakPolarHBondContact CB-O 3.47Å; Y137-W145 PolarHBondContact N-O 3.04Å; N138-W145 VanDerWaalsContact C-CZ3 3.41Å; N138-W145 HydrophobicContact CB-CE3 4.25Å; N138-W145 HydrophobicContact CB-CH2 4Å; N138-W145 HydrophobicContact CB-CZ3 3.79Å; N138-W145 PolarHBondContact N-O 3.26Å; N138-W145 WeakPolarHBondContact O-CZ3 3Å; N138-W145 WeakPolarHBondContact OD1-CZ2 2.97Å; T139-W145 VanDerWaalsContact O-CE3 3.29Å; N141-W145 PolarHBondContact O-N 2.85Å; W145-G147 PolarHBondContact O-N 3.34Å; W145-Q401 HydrophobicContact CZ3-CG 4.19Å; W145-Q401 VanDerWaalsContact CZ3-OE1 3.24Å |
| 146 | N | 83.1 | Confident | 80.1 | Confident | 9 Ų | 9 | 32.2 Ų | 32.2 | 5% | 0.048 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -6.3 | -174.1 | -51 | -65.8 | 0 | 0 | 0 | 113.8 | G91 S92 R95 W102 I134 I144 | G91-N146 WeakPolarHBondContact CA-O 3.24Å; S92-N146 PolarHBondContact OG-ND2 3.07Å; R95-N146 WeakPolarHBondContact CD-OD1 3.46Å; R95-N146 PolarHBondContact NH1-OD1 2.7Å; W102-N146 HydrophobicContact CH2-CB 4.34Å; W102-N146 WeakPolarHBondContact CH2-OD1 3.43Å; I134-N146 VanDerWaalsContact CG2-O 3.26Å; I134-N146 WeakPolarHBondContact CG2-O 3.3Å; I144-N146 PolarHBondContact O-N 2.61Å |
| 147 | G | 88.3 | Confident | 80.6 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | trans | 55.6 | -145.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | G91 M135 I144 W145 L250 | G91-G147 PolarHBondContact N-O 2.87Å; M135-G147 WeakPolarHBondContact O-CA 3.37Å; I144-G147 PolarHBondContact O-N 2.99Å; W145-G147 PolarHBondContact O-N 3.34Å; G147-L250 VanDerWaalsContact O-CD2 3.26Å; G147-L250 WeakPolarHBondContact O-CD2 3.37Å | ||
| 148 | V | 92.6 | Very high | 81.4 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 158.4 | -179.8 | -63.3 | 0 | 0 | 0 | 0 | 111.2 | M135 V248 L250 T274 A275 | M135-V148 HydrophobicContact CB-CG2 4.22Å; M135-V148 PolarHBondContact N-O 2.02Å; M135-V148 PolarHBondContact O-N 3.39Å; V148-V248 HydrophobicContact CG1-CB 3.96Å; V148-V248 HydrophobicContact CG1-CG2 4.11Å; V148-L250 HydrophobicContact CG1-CD2 4.43Å; V148-T274 HydrophobicContact CG2-CG2 3.82Å; V148-A275 HydrophobicContact CG2-CB 3.78Å |
| 149 | A | 94.2 | Very high | 82.8 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 135.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T89 F94 I132 R133 I134 | T89-A149 HydrophobicContact CG2-CB 4.28Å; T89-A149 PolarHBondContact N-O 2.73Å; T89-A149 PolarHBondContact O-N 3.42Å; F94-A149 HydrophobicContact CD2-CB 4.26Å; F94-A149 HydrophobicContact CE2-CB 3.93Å; I132-A149 HydrophobicContact CG2-CB 4.48Å; R133-A149 CarbonylContact O-C 3.07Å; R133-A149 VanDerWaalsContact O-CA 3.26Å; R133-A149 WeakPolarHBondContact O-CA 3.3Å; I134-A149 HydrophobicContact CB-CB 4.3Å; I134-A149 HydrophobicContact CG1-CB 3.65Å |
| 150 | L | 94.9 | Very high | 84.3 | Confident | 18 Ų | 18 | 36.7 Ų | 36.7 | 9% | 0.094 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 121.4 | 173.8 | -175.8 | 64.9 | 0 | 0 | 0 | 109.3 | I71 L86 I132 R133 F276 | I71-L150 HydrophobicContact CD1-CD1 3.75Å; L86-L150 HydrophobicContact CB-CD1 4.14Å; L86-L150 HydrophobicContact CD1-CD1 4.44Å; L86-L150 HydrophobicContact CD2-CD1 4.12Å; L86-L150 HydrophobicContact CD2-CD2 4.28Å; L86-L150 HydrophobicContact CD2-CG 4.22Å; L86-L150 HydrophobicContact CG-CD1 4.47Å; I132-L150 WeakPolarHBondContact CA-O 3.47Å; R133-L150 HydrophobicContact CB-CB 4.44Å; R133-L150 PolarHBondContact N-O 2.74Å; R133-L150 PolarHBondContact O-N 2.99Å; L150-F276 HydrophobicContact CD1-CE1 4.43Å; L150-F276 HydrophobicContact CD1-CZ 4.42Å; L150-F276 HydrophobicContact CD2-CE1 4.09Å |
| 151 | V | 95.8 | Very high | 86.1 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 121.9 | 177.3 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | V87 T89 F94 V110 A129 I132 L153 | V87-V151 HydrophobicContact CB-CB 4.21Å; V87-V151 PolarHBondContact N-O 3.19Å; V87-V151 PolarHBondContact O-N 3.01Å; T89-V151 HydrophobicContact CG2-CG2 3.83Å; F94-V151 HydrophobicContact CE1-CG2 4.4Å; F94-V151 HydrophobicContact CE2-CG2 3.96Å; F94-V151 HydrophobicContact CZ-CG2 3.47Å; F94-V151 VanDerWaalsContact CZ-CG2 3.47Å; V110-V151 HydrophobicContact CG2-CG1 4.49Å; A129-V151 HydrophobicContact CB-CG1 3.64Å; I132-V151 HydrophobicContact CG1-CG1 4.39Å; I132-V151 HydrophobicContact CG1-CG2 4.43Å; I132-V151 HydrophobicContact CG2-CG2 4.32Å; V151-L153 HydrophobicContact CG1-CD2 4.19Å |
| 152 | T | 95.7 | Very high | 87.3 | Confident | 24 Ų | 24 | 44.9 Ų | 44.9 | 15% | 0.147 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 124.3 | 167 | -46.1 | 0 | 0 | 0 | 0 | 108.8 | S85 R130 A131 | S85-T152 CarbonylContact O-C 3.56Å; S85-T152 WeakPolarHBondContact O-CA 3.37Å; R130-T152 WeakPolarHBondContact CB-O 3.32Å; R130-T152 PolarHBondContact N-O 2.94Å; A131-T152 PolarHBondContact N-O 3.07Å; A131-T152 PolarHBondContact O-N 3.15Å |
| 153 | L | 94.9 | Very high | 88.7 | Confident | 5 Ų | 5 | 42.3 Ų | 42.3 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 156.3 | 179.4 | -59.6 | 179.2 | 0 | 0 | 0 | 112 | S85 V87 V110 V151 K155 F157 | S85-L153 WeakPolarHBondContact O-CG 3.42Å; S85-L153 PolarHBondContact O-N 3.4Å; V87-L153 HydrophobicContact CG2-CD1 4.1Å; V87-L153 HydrophobicContact CG2-CD2 4.44Å; V87-L153 HydrophobicContact CG2-CG 4.42Å; V110-L153 HydrophobicContact CB-CD2 3.95Å; V110-L153 HydrophobicContact CG2-CD2 3.71Å; V151-L153 HydrophobicContact CG1-CD2 4.19Å; L153-K155 VanDerWaalsContact CB-O 3.32Å; L153-K155 WeakPolarHBondContact CB-O 3.34Å; L153-F157 HydrophobicContact CD1-CD2 3.5Å; L153-F157 VanDerWaalsContact CD1-CD2 3.5Å; L153-F157 HydrophobicContact CD1-CE2 3.48Å; L153-F157 VanDerWaalsContact CD1-CE2 3.48Å; L153-F157 HydrophobicContact CD1-CG 4.13Å; L153-F157 HydrophobicContact CD1-CZ 4.11Å |
| 154 | K | 93.3 | Very high | 89.9 | Confident | 136 Ų | 136 | 38 Ų | 38 | 59% | 0.591 | 18% | 0.182 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | -40.9 | 172.2 | -74.9 | -163.1 | 177.4 | -157.5 | 0 | 112.5 | K128 R130 | K128-K154 HydrophobicContact CB-CD 4.14Å; K128-K154 HydrophobicContact CB-CG 4.32Å; K128-K154 WeakPolarHBondContact O-CB 3.46Å; K128-K154 PolarHBondContact O-N 3.13Å; R130-K154 HydrophobicContact CB-CG 3.73Å; R130-K154 HydrophobicContact CG-CG 4.45Å |
| 155 | K | 92.6 | Very high | 90.8 | Very high | 113 Ų | 113 | 38 Ų | 38 | 49% | 0.491 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 128.6 | 169.1 | -170.1 | -159.1 | 178.8 | -161.2 | 0 | 107.3 | E125 S127 L153 | E125-K155 IonicContact OE1-NZ 2.64Å; E125-K155 PolarHBondContact OE1-NZ 2.92Å; S127-K155 WeakPolarHBondContact CB-O 3.35Å; S127-K155 PolarHBondContact OG-N 2.73Å; S127-K155 VanDerWaalsContact OG-N 3.11Å; S127-K155 PolarHBondContact OG-O 3.05Å; L153-K155 VanDerWaalsContact CB-O 3.32Å; L153-K155 WeakPolarHBondContact CB-O 3.34Å |
| 156 | P | 93 | Very high | 91.7 | Very high | 42 Ų | 42 | 35.2 Ų | 35.2 | 27% | 0.273 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 153.9 | 171.9 | 30.1 | -35.1 | 0 | 0 | 0 | 110.7 | Y83 S84 | Y83-P156 HydrophobicContact CD2-CB 3.67Å; Y83-P156 HydrophobicContact CD2-CG 4.04Å; Y83-P156 HydrophobicContact CE2-CB 4.46Å; Y83-P156 HydrophobicContact CG-CB 4.26Å; Y83-P156 HydrophobicContact CG-CG 4.46Å; S84-P156 CarbonylContact O-C 3.49Å; S84-P156 WeakPolarHBondContact O-CA 3.5Å; S84-P156 VanDerWaalsContact O-CB 3.25Å; S84-P156 WeakPolarHBondContact O-CB 3.3Å |
| 157 | F | 92.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 0% | 0.004 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 132.3 | 168.5 | -66.8 | -48 | 0 | 0 | 0 | 109.5 | V55 I70 Y83 S84 V87 V110 A112 E125 L153 I163 | V55-F157 HydrophobicContact CG1-CE2 4.31Å; I70-F157 HydrophobicContact CD1-CB 4.43Å; I70-F157 HydrophobicContact CD1-CD2 3.84Å; I70-F157 HydrophobicContact CD1-CG 4.47Å; I70-F157 HydrophobicContact CG1-CD2 4.2Å; Y83-F157 CarbonylContact C-O 3.57Å; Y83-F157 WeakPolarHBondContact CA-O 3.36Å; Y83-F157 VanDerWaalsContact CB-O 3.29Å; Y83-F157 WeakPolarHBondContact CB-O 3.3Å; S84-F157 PolarHBondContact N-O 2.77Å; S84-F157 PolarHBondContact O-N 3.34Å; V87-F157 HydrophobicContact CG2-CE2 4.44Å; V110-F157 HydrophobicContact CB-CE2 4.45Å; V110-F157 HydrophobicContact CB-CZ 4.26Å; V110-F157 HydrophobicContact CG1-CE2 3.98Å; V110-F157 HydrophobicContact CG1-CZ 4.15Å; A112-F157 HydrophobicContact CB-CD1 4.23Å; A112-F157 HydrophobicContact CB-CD2 3.92Å; A112-F157 HydrophobicContact CB-CE1 4.06Å; A112-F157 HydrophobicContact CB-CE2 3.73Å; A112-F157 HydrophobicContact CB-CG 4.17Å; A112-F157 HydrophobicContact CB-CZ 3.8Å; E125-F157 HydrophobicContact CB-CD1 3.96Å; E125-F157 HydrophobicContact CB-CE1 4.06Å; E125-F157 HydrophobicContact CG-CD1 3.72Å; E125-F157 HydrophobicContact CG-CE1 3.93Å; E125-F157 WeakPolarHBondContact OE2-CD1 3.3Å; L153-F157 HydrophobicContact CD1-CD2 3.5Å; L153-F157 VanDerWaalsContact CD1-CD2 3.5Å; L153-F157 HydrophobicContact CD1-CE2 3.48Å; L153-F157 VanDerWaalsContact CD1-CE2 3.48Å; L153-F157 HydrophobicContact CD1-CG 4.13Å; L153-F157 HydrophobicContact CD1-CZ 4.11Å; F157-I163 HydrophobicContact CB-CG2 4.07Å |
| 158 | V | 91.2 | Very high | 92.4 | Very high | 76 Ų | 76 | 36.7 Ų | 36.7 | 46% | 0.461 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 130.3 | -179.2 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | E125 N160 | E125-V158 PolarHBondContact OE2-N 2.73Å; V158-N160 PolarHBondContact O-ND2 2.8Å |
| 159 | F | 90.8 | Very high | 92.3 | Very high | 20 Ų | 20 | 37.2 Ų | 37.2 | 9% | 0.088 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -71.3 | 136 | -175.5 | -55.2 | -30.6 | 0 | 0 | 0 | 111.8 | Y33 I70 K81 N82 Y83 I163 P165 | Y33-F159 HydrophobicContact CD1-CB 3.5Å; Y33-F159 HydrophobicContact CD1-CD2 4.24Å; Y33-F159 HydrophobicContact CD1-CG 4.3Å; Y33-F159 HydrophobicContact CE1-CB 3.73Å; Y33-F159 AromaticContact CE1-CD2 3.56Å; Y33-F159 HydrophobicContact CE1-CD2 3.56Å; Y33-F159 HydrophobicContact CE1-CG 4.08Å; Y33-F159 HydrophobicContact CE2-CD2 4.45Å; Y33-F159 HydrophobicContact CG-CB 4.01Å; Y33-F159 AromaticContact CZ-CD2 3.67Å; I70-F159 HydrophobicContact CG2-CE1 3.98Å; K81-F159 VanDerWaalsContact O-CE2 3.29Å; K81-F159 WeakPolarHBondContact O-CE2 3.47Å; N82-F159 PolarHBondContact O-N 3.27Å; Y83-F159 WeakPolarHBondContact O-CZ 3.05Å; F159-I163 CarbonylContact C-O 3.18Å; F159-I163 WeakPolarHBondContact CA-O 3.3Å; F159-I163 HydrophobicContact CD1-CG2 4.38Å; F159-P165 HydrophobicContact CD2-CG 4.33Å; F159-P165 HydrophobicContact CE1-CB 4.24Å; F159-P165 HydrophobicContact CE1-CG 4.09Å; F159-P165 HydrophobicContact CE2-CG 3.68Å; F159-P165 HydrophobicContact CZ-CB 3.88Å; F159-P165 HydrophobicContact CZ-CG 3.54Å |
| 160 | N | 88.6 | Confident | 91.7 | Very high | 56 Ų | 56 | 39.4 Ų | 39.4 | 30% | 0.299 | 21% | 0.207 | S | C | . | . | B | Isolated β-bridge | trans | -161.2 | -176.9 | -176.5 | 66.4 | 78.4 | 0 | 0 | 0 | 109.7 | Y33 V158 H162 I163 | Y33-N160 CarbonylContact O-C 3.59Å; V158-N160 PolarHBondContact O-ND2 2.8Å; N160-H162 PolarHBondContact O-N 3.05Å; N160-H162 PolarHBondContact OD1-N 2.92Å; N160-H162 PolarHBondContact OD1-ND1 3.09Å; N160-I163 PolarHBondContact N-O 3.38Å; N160-I163 CarbonylContact O-C 3.5Å; N160-I163 PolarHBondContact O-N 3.38Å |
| 161 | K | 86.3 | Confident | 91.1 | Very high | 124 Ų | 124 | 45.9 Ų | 45.9 | 54% | 0.539 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -19.8 | -177.3 | 69.2 | 178.1 | -174 | 177.6 | 0 | 116.4 | Y33 G34 G35 | Y33-K161 PolarHBondContact O-N 2.77Å; Y33-K161 VanDerWaalsContact O-N 3.12Å; G34-K161 WeakPolarHBondContact O-CB 3.04Å; G35-K161 WeakPolarHBondContact CA-O 3.49Å |
| 162 | H | 87.4 | Confident | 90.4 | Very high | 105 Ų | 105 | 47.7 Ų | 47.7 | 49% | 0.486 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | -5.7 | 177 | -40.7 | 109.3 | 0 | 0 | 0 | 114.1 | P52 G113 N160 | P52-H162 WeakPolarHBondContact CA-O 3.37Å; P52-H162 WeakPolarHBondContact CB-O 3.33Å; G113-H162 WeakPolarHBondContact CA-O 3.37Å; N160-H162 PolarHBondContact O-N 3.05Å; N160-H162 PolarHBondContact OD1-N 2.92Å; N160-H162 PolarHBondContact OD1-ND1 3.09Å |
| 163 | I | 91.2 | Very high | 89.9 | Confident | 6 Ų | 6 | 48 Ų | 48 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -139 | 113 | -172.3 | -57.5 | -174.9 | 0 | 0 | 0 | 109 | P52 I70 A112 E125 F157 F159 N160 | P52-I163 WeakPolarHBondContact O-CA 3.09Å; I70-I163 HydrophobicContact CD1-CG2 3.55Å; A112-I163 HydrophobicContact CB-CD1 3.98Å; A112-I163 HydrophobicContact CB-CG1 4.33Å; E125-I163 HydrophobicContact CB-CD1 3.84Å; F157-I163 HydrophobicContact CB-CG2 4.07Å; F159-I163 CarbonylContact C-O 3.18Å; F159-I163 WeakPolarHBondContact CA-O 3.3Å; F159-I163 HydrophobicContact CD1-CG2 4.38Å; N160-I163 PolarHBondContact N-O 3.38Å; N160-I163 CarbonylContact O-C 3.5Å; N160-I163 PolarHBondContact O-N 3.38Å |
| 164 | S | 91.6 | Very high | 89.4 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.007 | 27% | 0.266 | C | S | . | . | trans | -152.5 | 150.9 | 177.5 | 69 | 0 | 0 | 0 | 0 | 111 | P52 W53 | P52-S164 CarbonylContact C-O 3.57Å; P52-S164 VanDerWaalsContact CG-OG 3.28Å; P52-S164 WeakPolarHBondContact CG-OG 3.25Å; P52-S164 PolarHBondContact O-N 2.67Å; W53-S164 VanDerWaalsContact CA-O 3.24Å; W53-S164 WeakPolarHBondContact CA-O 3.3Å; W53-S164 VanDerWaalsContact CB-O 3.31Å; W53-S164 WeakPolarHBondContact CB-O 3.04Å; W53-S164 PolarHBondContact N-O 3.06Å | ||
| 165 | P | 94 | Very high | 88.9 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -80.5 | 144.4 | -175.9 | 33.4 | -33.9 | 0 | 0 | 0 | 112.1 | C27 G28 Y33 I70 P72 F159 | C27-P165 HydrophobicContact CB-CG 4.28Å; G28-P165 PolarHBondContact N-O 3.35Å; Y33-P165 HydrophobicContact CE2-CG 4.49Å; I70-P165 HydrophobicContact CG2-CB 4.38Å; I70-P165 WeakPolarHBondContact O-CA 3.35Å; P72-P165 HydrophobicContact CG-CB 4.2Å; F159-P165 HydrophobicContact CD2-CG 4.33Å; F159-P165 HydrophobicContact CE1-CB 4.24Å; F159-P165 HydrophobicContact CE1-CG 4.09Å; F159-P165 HydrophobicContact CE2-CG 3.68Å; F159-P165 HydrophobicContact CZ-CB 3.88Å; F159-P165 HydrophobicContact CZ-CG 3.54Å |
| 166 | V | 94.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -81.4 | 146.7 | 165.9 | 69.6 | 0 | 0 | 0 | 0 | 109.7 | W53 I70 I71 P72 V236 A243 Q245 | W53-V166 HydrophobicContact CB-CB 4.01Å; W53-V166 HydrophobicContact CB-CG1 4.38Å; W53-V166 HydrophobicContact CD2-CB 3.75Å; W53-V166 HydrophobicContact CD2-CG2 4.14Å; W53-V166 HydrophobicContact CE3-CB 4.01Å; W53-V166 HydrophobicContact CE3-CG2 4.4Å; W53-V166 HydrophobicContact CG-CB 3.77Å; W53-V166 HydrophobicContact CG-CG1 4.4Å; W53-V166 HydrophobicContact CG-CG2 4.48Å; I70-V166 PolarHBondContact O-N 3.35Å; I71-V166 HydrophobicContact CG2-CG1 4.32Å; P72-V166 WeakPolarHBondContact CD-O 3.21Å; V166-V236 HydrophobicContact CG2-CG1 3.97Å; V166-V236 HydrophobicContact CG2-CG2 4.14Å; V166-A243 HydrophobicContact CG2-CB 4.16Å; V166-Q245 HydrophobicContact CG1-CB 3.78Å; V166-Q245 HydrophobicContact CG2-CB 4.06Å |
| 167 | C | 92.9 | Very high | 87 | Confident | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.02 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 150.1 | 170.7 | -64.7 | 0 | 0 | 0 | 0 | 110.2 | C27 A243 F244 Q245 | C27-C167 HydrophobicContact CB-CB 4.04Å; C27-C167 WeakPolarHBondContact CB-SG 3.45Å; C27-C167 PolarHBondContact O-SG 3.48Å; C27-C167 WeakPolarHBondContact SG-CA 3.17Å; C27-C167 WeakPolarHBondContact SG-CB 3.4Å; C27-C167 CovalentContact SG-SG 2.05Å; C27-C167 PolarHBondContact SG-SG 3.44Å; C167-A243 WeakPolarHBondContact CB-O 3.45Å; C167-A243 PolarHBondContact N-O 3.4Å; C167-F244 HydrophobicContact CB-CD1 3.57Å; C167-F244 HydrophobicContact CB-CE1 3.76Å; C167-F244 HydrophobicContact CB-CG 4.19Å; C167-F244 CarbonylContact O-C 3.44Å; C167-F244 WeakPolarHBondContact O-CA 3.43Å; C167-Q245 PolarHBondContact O-N 2.9Å |
| 168 | L | 92.3 | Very high | 85.7 | Confident | 39 Ų | 39 | 44.4 Ų | 44.4 | 20% | 0.204 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 140.8 | 167.2 | -65.9 | 178.1 | 0 | 0 | 0 | 109.5 | I71 L88 V272 F276 | I71-L168 HydrophobicContact CB-CD2 4.42Å; I71-L168 HydrophobicContact CD1-CD1 4.27Å; I71-L168 HydrophobicContact CG2-CD2 3.76Å; I71-L168 HydrophobicContact CG2-CG 4.35Å; L88-L168 HydrophobicContact CD2-CD2 4.01Å; L168-V272 HydrophobicContact CB-CG2 4.49Å; L168-V272 HydrophobicContact CD2-CB 4Å; L168-V272 HydrophobicContact CD2-CG1 4.01Å; L168-V272 HydrophobicContact CD2-CG2 4.31Å; L168-F276 HydrophobicContact CD1-CD2 4.44Å; L168-F276 HydrophobicContact CD1-CE2 3.53Å; L168-F276 HydrophobicContact CD1-CZ 3.59Å |
| 169 | A | 90 | Very high | 84.9 | Confident | 11 Ų | 11 | 41.9 Ų | 41.9 | 9% | 0.091 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -64.3 | 158.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A173 Q245 F246 V272 | A169-A173 HydrophobicContact CB-CB 4.29Å; A169-Q245 WeakPolarHBondContact CB-O 3.4Å; A169-Q245 PolarHBondContact N-O 2.8Å; A169-F246 HydrophobicContact CB-CB 4.44Å; A169-F246 HydrophobicContact CB-CD1 3.37Å; A169-F246 HydrophobicContact CB-CD2 4.14Å; A169-F246 HydrophobicContact CB-CE1 3.46Å; A169-F246 VanDerWaalsContact CB-CE1 3.46Å; A169-F246 HydrophobicContact CB-CE2 4.19Å; A169-F246 HydrophobicContact CB-CG 3.73Å; A169-F246 HydrophobicContact CB-CZ 3.86Å; A169-V272 HydrophobicContact CB-CG2 4.33Å |
| 170 | G | 82 | Confident | 84.5 | Confident | 46 Ų | 46 | 45.7 Ų | 45.7 | 47% | 0.474 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -61.3 | 171.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y172 A173 H271 | G170-Y172 PolarHBondContact O-N 2.74Å; G170-A173 WeakPolarHBondContact O-CB 3.43Å; G170-A173 PolarHBondContact O-N 3.49Å; G170-H271 PolarHBondContact O-CE1 3.15Å |
| 171 | E | 82 | Confident | 84.4 | Confident | 153 Ų | 153 | 43.2 Ų | 43.2 | 72% | 0.715 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 113.1 | -178.9 | 171.1 | 152.8 | -160.4 | 0 | 0 | 112.2 | A173 T273 | E171-A173 PolarHBondContact O-N 3.47Å; E171-T273 WeakPolarHBondContact CA-OG1 3.42Å; E171-T273 HydrophobicContact CB-CG2 4.4Å; E171-T273 HydrophobicContact CG-CG2 4.05Å |
| 172 | Y | 80.7 | Confident | 84.5 | Confident | 39 Ų | 39 | 37.3 Ų | 37.3 | 15% | 0.153 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.8 | 27.9 | -175.8 | -63.2 | -69.9 | 0 | 0 | 0 | 114.5 | G170 R216 H271 T273 E277 | G170-Y172 PolarHBondContact O-N 2.74Å; Y172-R216 HydrophobicContact CD1-CB 3.64Å; Y172-R216 VanDerWaalsContact CD1-CD 3.45Å; Y172-R216 HydrophobicContact CD1-CG 4.2Å; Y172-R216 HydrophobicContact CE1-CB 3.86Å; Y172-R216 HydrophobicContact CE1-CG 4.33Å; Y172-H271 WeakPolarHBondContact CA-CE1 3.17Å; Y172-H271 HydrophobicContact CD1-CB 4.23Å; Y172-H271 AromaticContact CD1-CG 3.99Å; Y172-H271 AromaticContact CD1-ND1 3.79Å; Y172-H271 HydrophobicContact CE1-CB 4.41Å; Y172-H271 PolarHBondContact N-CE1 2.97Å; Y172-T273 HydrophobicContact CD2-CG2 4.12Å; Y172-T273 HydrophobicContact CE2-CG2 3.82Å; Y172-T273 PolarHBondContact N-OG1 3.19Å; Y172-E277 PolarHBondContact OH-OE1 2.72Å |
| 173 | A | 85.4 | Confident | 84.6 | Confident | 32 Ų | 32 | 32.3 Ų | 32.3 | 26% | 0.264 | 19% | 0.187 | S | C | . | . | P | Polyproline II helix | trans | -63.9 | 142.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | A169 G170 E171 F246 H271 | A169-A173 HydrophobicContact CB-CB 4.29Å; G170-A173 WeakPolarHBondContact O-CB 3.43Å; G170-A173 PolarHBondContact O-N 3.49Å; E171-A173 PolarHBondContact O-N 3.47Å; A173-F246 HydrophobicContact CB-CE1 3.94Å; A173-F246 VanDerWaalsContact O-CD1 3.29Å; A173-F246 WeakPolarHBondContact O-CD1 3.41Å; A173-H271 PolarHBondContact O-NE2 2.99Å |
| 174 | V | 84.1 | Confident | 84.5 | Confident | 65 Ų | 65 | 32 Ų | 32 | 39% | 0.394 | 19% | 0.186 | S | C | . | . | P | Polyproline II helix | trans | -101.5 | 134.9 | 179.4 | -177.3 | 0 | 0 | 0 | 0 | 107.2 | G201 V203 F246 | V174-G201 WeakPolarHBondContact CG1-O 3.45Å; V174-V203 HydrophobicContact CG2-CG2 4.03Å; V174-F246 VanDerWaalsContact C-CE1 3.47Å |
| 175 | P | 83.7 | Confident | 84.2 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.013 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -53 | 134.8 | 170.5 | -22.4 | 29.8 | 0 | 0 | 0 | 109.5 | D177 M198 L218 C237 F246 | P175-D177 PolarHBondContact O-N 3.41Å; P175-M198 HydrophobicContact CG-CE 4.27Å; P175-L218 HydrophobicContact CG-CD1 4.17Å; P175-C237 HydrophobicContact CB-CB 4.41Å; P175-F246 HydrophobicContact CB-CD1 4.44Å; P175-F246 HydrophobicContact CB-CD2 4.37Å; P175-F246 HydrophobicContact CB-CE1 4.48Å; P175-F246 HydrophobicContact CB-CE2 4.42Å; P175-F246 HydrophobicContact CB-CG 4.38Å; P175-F246 HydrophobicContact CB-CZ 4.48Å; P175-F246 VanDerWaalsContact CD-CD1 3.45Å; P175-F246 HydrophobicContact CG-CB 3.87Å; P175-F246 HydrophobicContact CG-CD1 3.69Å; P175-F246 HydrophobicContact CG-CD2 3.96Å; P175-F246 HydrophobicContact CG-CE1 4.18Å; P175-F246 HydrophobicContact CG-CE2 4.43Å; P175-F246 HydrophobicContact CG-CG 3.56Å |
| 176 | P | 78.5 | Confident | 83.8 | Confident | 52 Ų | 52 | 34 Ų | 34 | 34% | 0.338 | 20% | 0.195 | S | C | . | . | P | Polyproline II helix | trans | -52.8 | 132.3 | 167.9 | -24.2 | 33.6 | 0 | 0 | 0 | 108.6 | T178 S179 I239 | P176-T178 WeakPolarHBondContact CB-OG1 3.37Å; P176-T178 PolarHBondContact O-N 2.93Å; P176-S179 VanDerWaalsContact O-CB 3.31Å; P176-S179 WeakPolarHBondContact O-CB 3.26Å; P176-S179 PolarHBondContact O-N 3Å; P176-S179 PolarHBondContact O-OG 3.32Å; P176-I239 HydrophobicContact CG-CD1 4.02Å; P176-I239 HydrophobicContact CG-CG1 4.37Å |
| 177 | D | 66.5 | Low | 83 | Confident | 39 Ų | 39 | 38.8 Ų | 38.8 | 21% | 0.209 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -24.8 | 176.6 | -97.2 | 25.3 | 0 | 0 | 0 | 111.3 | P175 G201 S1045 G1046 | P175-D177 PolarHBondContact O-N 3.41Å; D177-G201 WeakPolarHBondContact OD1-CA 3.28Å; D177-G201 PolarHBondContact OD1-N 3.31Å; D177-G201 VanDerWaalsContact OD1-N 3.12Å; D177-G201 PolarHBondContact OD2-N 3.21Å; D177-S1045 CarbonylContact O-C 3.51Å; D177-S1045 WeakPolarHBondContact OD2-CA 3.17Å; D177-S1045 PolarHBondContact OD2-N 3.42Å; D177-G1046 WeakPolarHBondContact O-CA 3.29Å; D177-G1046 PolarHBondContact O-N 2.93Å |
| 178 | T | 66.7 | Low | 82.1 | Confident | 63 Ų | 63 | 47 Ų | 47 | 39% | 0.387 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -12.2 | 176.7 | 58.3 | 0 | 0 | 0 | 0 | 116.3 | P176 K855 | P176-T178 WeakPolarHBondContact CB-OG1 3.37Å; P176-T178 PolarHBondContact O-N 2.93Å; T178-K855 VanDerWaalsContact CB-CE 3.49Å; T178-K855 HydrophobicContact CG2-CD 3.66Å; T178-K855 HydrophobicContact CG2-CG 4.05Å; T178-K855 PolarHBondContact O-NZ 2.8Å |
| 179 | S | 73.3 | Confident | 81.2 | Confident | 22 Ų | 22 | 52.1 Ų | 52.1 | 15% | 0.154 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -81.9 | 145.9 | -170 | 66.3 | 0 | 0 | 0 | 0 | 113.3 | P176 C181 | P176-S179 VanDerWaalsContact O-CB 3.31Å; P176-S179 WeakPolarHBondContact O-CB 3.26Å; P176-S179 PolarHBondContact O-N 3Å; P176-S179 PolarHBondContact O-OG 3.32Å; S179-C181 PolarHBondContact O-N 2.04Å; S179-C181 PolarHBondContact OG-SG 2.85Å |
| 180 | F | 82.2 | Confident | 80.6 | Confident | 101 Ų | 101 | 56.1 Ų | 56.1 | 44% | 0.443 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 110.8 | 175.5 | -172.9 | -95.7 | 0 | 0 | 0 | 109.3 | L42 F182 V195 C237 M238 | L42-F180 HydrophobicContact CD1-CD1 4.23Å; L42-F180 HydrophobicContact CD1-CE1 3.96Å; L42-F180 HydrophobicContact CD2-CE1 4.39Å; F180-F182 HydrophobicContact CD1-CD1 4.14Å; F180-F182 HydrophobicContact CE1-CD1 4.15Å; F180-V195 HydrophobicContact CD2-CG1 4.5Å; F180-V195 HydrophobicContact CE1-CG1 4.4Å; F180-V195 HydrophobicContact CE1-CG2 4.2Å; F180-V195 HydrophobicContact CE2-CG1 3.67Å; F180-V195 HydrophobicContact CE2-CG2 4.4Å; F180-V195 HydrophobicContact CZ-CB 4.27Å; F180-V195 HydrophobicContact CZ-CG1 3.62Å; F180-V195 HydrophobicContact CZ-CG2 3.58Å; F180-C237 WeakPolarHBondContact O-CA 3.08Å; F180-M238 HydrophobicContact CB-CB 4.47Å; F180-M238 PolarHBondContact O-N 3.22Å |
| 181 | C | 88.1 | Confident | 80.6 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.02 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 148.5 | -176.8 | -61.4 | 0 | 0 | 0 | 0 | 112.3 | S179 V196 M198 L235 V236 C237 | S179-C181 PolarHBondContact O-N 2.04Å; S179-C181 PolarHBondContact OG-SG 2.85Å; C181-V196 HydrophobicContact CB-CG2 3.72Å; C181-V196 PolarHBondContact O-N 3.45Å; C181-M198 HydrophobicContact CB-CG 4.18Å; C181-M198 HydrophobicContact CB-SD 4.13Å; C181-L235 HydrophobicContact CB-CD1 4.22Å; C181-V236 CarbonylContact C-O 3.32Å; C181-V236 VanDerWaalsContact CA-O 3.3Å; C181-V236 WeakPolarHBondContact CA-O 3.43Å; C181-C237 HydrophobicContact CB-CB 4.11Å; C181-C237 WeakPolarHBondContact CB-SG 3.09Å; C181-C237 WeakPolarHBondContact SG-CB 3.28Å; C181-C237 CovalentContact SG-SG 2.04Å; C181-C237 PolarHBondContact SG-SG 3.33Å |
| 182 | F | 87.7 | Confident | 80.4 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 0% | 0.004 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 160.8 | 175.3 | 50.3 | -93.1 | 0 | 0 | 0 | 111 | L42 L51 W53 F180 E194 V236 M238 | L42-F182 HydrophobicContact CD1-CD1 4.36Å; L42-F182 HydrophobicContact CD1-CE1 3.97Å; L42-F182 HydrophobicContact CD2-CD1 3.9Å; L42-F182 HydrophobicContact CD2-CE1 4.01Å; L42-F182 HydrophobicContact CD2-CG 4.28Å; L42-F182 HydrophobicContact CD2-CZ 4.48Å; L51-F182 HydrophobicContact CD1-CD2 3.81Å; L51-F182 HydrophobicContact CD1-CE2 3.12Å; L51-F182 HydrophobicContact CD1-CZ 3.73Å; W53-F182 HydrophobicContact CZ2-CE2 4.43Å; W53-F182 HydrophobicContact CZ2-CZ 4.31Å; F180-F182 HydrophobicContact CD1-CD1 4.14Å; F180-F182 HydrophobicContact CE1-CD1 4.15Å; F182-E194 CarbonylContact C-O 3.46Å; F182-E194 VanDerWaalsContact CA-O 3.22Å; F182-E194 WeakPolarHBondContact CA-O 3.41Å; F182-E194 WeakPolarHBondContact CB-O 3.3Å; F182-V236 HydrophobicContact CD2-CB 4.13Å; F182-V236 HydrophobicContact CE1-CG1 4.43Å; F182-V236 HydrophobicContact CE2-CB 3.48Å; F182-V236 VanDerWaalsContact CE2-CB 3.48Å; F182-V236 HydrophobicContact CE2-CG1 3.77Å; F182-V236 HydrophobicContact CE2-CG2 4.24Å; F182-V236 HydrophobicContact CZ-CB 3.77Å; F182-V236 HydrophobicContact CZ-CG1 3.56Å; F182-V236 PolarHBondContact N-O 2.83Å; F182-V236 PolarHBondContact O-N 2.99Å; F182-M238 HydrophobicContact CE1-CG 4.15Å; F182-M238 HydrophobicContact CE1-SD 4.24Å |
| 183 | V | 89.4 | Confident | 80.4 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 135.2 | 174.9 | 67.4 | 0 | 0 | 0 | 0 | 110.3 | T185 E194 V196 P234 Y269 | V183-T185 HydrophobicContact CG1-CG2 4.19Å; V183-E194 HydrophobicContact CG1-CB 4.12Å; V183-E194 PolarHBondContact N-O 2.68Å; V183-E194 PolarHBondContact O-N 2.63Å; V183-V196 HydrophobicContact CB-CG1 3.92Å; V183-V196 HydrophobicContact CG1-CG1 3.44Å; V183-V196 VanDerWaalsContact CG1-CG1 3.44Å; V183-P234 WeakPolarHBondContact CA-O 3.47Å; V183-Y269 HydrophobicContact CB-CE1 4.12Å; V183-Y269 HydrophobicContact CG2-CE1 3.74Å |
| 184 | S | 89.2 | Confident | 80.1 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 136.2 | 173.1 | -38.6 | 0 | 0 | 0 | 0 | 111.1 | T54 L67 D192 E193 | T54-S184 PolarHBondContact OG1-OG 3.07Å; L67-S184 VanDerWaalsContact CD1-C 3.41Å; L67-S184 WeakPolarHBondContact CD1-O 3.47Å; S184-D192 CarbonylContact C-O 3.52Å; S184-E193 WeakPolarHBondContact CA-OE2 3.34Å; S184-E193 VanDerWaalsContact CB-OE2 3.23Å; S184-E193 WeakPolarHBondContact CB-OE2 3.47Å; S184-E193 PolarHBondContact N-OE2 2.83Å; S184-E193 VanDerWaalsContact OG-CD 3.25Å; S184-E193 PolarHBondContact OG-OE1 3.11Å; S184-E193 VanDerWaalsContact OG-OE1 3.05Å; S184-E193 PolarHBondContact OG-OE2 2.94Å |
| 185 | T | 86.4 | Confident | 80 | Confident | 15 Ų | 15 | 52.4 Ų | 52.4 | 9% | 0.092 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 165.8 | -178.4 | 78.3 | 0 | 0 | 0 | 0 | 110.4 | V183 L191 D192 E194 S230 | V183-T185 HydrophobicContact CG1-CG2 4.19Å; T185-L191 WeakPolarHBondContact O-CA 3.19Å; T185-D192 PolarHBondContact N-O 2.82Å; T185-D192 PolarHBondContact O-N 3.3Å; T185-D192 PolarHBondContact OG1-O 3.12Å; T185-E194 HydrophobicContact CG2-CB 3.56Å; T185-S230 WeakPolarHBondContact CB-OG 3.41Å; T185-S230 WeakPolarHBondContact CG2-OG 3.41Å |
| 186 | Y | 84.5 | Confident | 79.8 | Confident | 29 Ų | 29 | 52.7 Ų | 52.7 | 11% | 0.114 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 100.4 | 179.6 | 173.6 | -106.6 | 0 | 0 | 0 | 111.1 | F64 L117 R190 L191 K229 | F64-Y186 HydrophobicContact CB-CE1 3.99Å; F64-Y186 AromaticContact CD1-CD1 3.65Å; F64-Y186 HydrophobicContact CD1-CD1 3.65Å; F64-Y186 AromaticContact CD1-CE1 3.71Å; F64-Y186 HydrophobicContact CD1-CE1 3.71Å; F64-Y186 HydrophobicContact CD1-CG 4.49Å; F64-Y186 HydrophobicContact CD2-CD1 4Å; F64-Y186 HydrophobicContact CD2-CD2 4.34Å; F64-Y186 AromaticContact CD2-CE1 3.93Å; F64-Y186 HydrophobicContact CD2-CE1 3.93Å; F64-Y186 HydrophobicContact CD2-CE2 4.27Å; F64-Y186 HydrophobicContact CD2-CG 4.2Å; F64-Y186 AromaticContact CE1-CD1 3.56Å; F64-Y186 HydrophobicContact CE1-CD1 3.56Å; F64-Y186 HydrophobicContact CE1-CE1 4.12Å; F64-Y186 HydrophobicContact CE1-CG 4.12Å; F64-Y186 AromaticContact CE2-CD1 3.9Å; F64-Y186 HydrophobicContact CE2-CD1 3.9Å; F64-Y186 HydrophobicContact CE2-CD2 4.11Å; F64-Y186 HydrophobicContact CE2-CE1 4.3Å; F64-Y186 HydrophobicContact CE2-CE2 4.5Å; F64-Y186 AromaticContact CE2-CG 3.78Å; F64-Y186 HydrophobicContact CE2-CG 3.78Å; F64-Y186 AromaticContact CG-CD1 3.87Å; F64-Y186 HydrophobicContact CG-CD1 3.87Å; F64-Y186 AromaticContact CG-CE1 3.59Å; F64-Y186 HydrophobicContact CG-CE1 3.59Å; F64-Y186 AromaticContact CZ-CD1 3.67Å; F64-Y186 HydrophobicContact CZ-CD1 3.67Å; F64-Y186 HydrophobicContact CZ-CD2 4.5Å; F64-Y186 HydrophobicContact CZ-CE1 4.38Å; F64-Y186 AromaticContact CZ-CG 3.73Å; F64-Y186 HydrophobicContact CZ-CG 3.73Å; L117-Y186 HydrophobicContact CB-CE2 3.95Å; L117-Y186 HydrophobicContact CD2-CE2 4.19Å; Y186-R190 CarbonylContact C-O 3.35Å; Y186-R190 VanDerWaalsContact CA-O 3.32Å; Y186-R190 WeakPolarHBondContact CA-O 3.14Å; Y186-R190 WeakPolarHBondContact CD2-O 3.46Å; Y186-L191 HydrophobicContact CD2-CD1 4.38Å; Y186-L191 HydrophobicContact CD2-CG 4.48Å; Y186-K229 WeakPolarHBondContact CB-O 3.32Å; Y186-K229 HydrophobicContact CD1-CB 4.19Å; Y186-K229 HydrophobicContact CD1-CD 4.34Å; Y186-K229 HydrophobicContact CD1-CG 4.43Å; Y186-K229 PolarHBondContact N-O 3.42Å; Y186-K229 WeakPolarHBondContact O-CB 3.43Å; Y186-K229 WeakPolarHBondContact O-CD 3.44Å |
| 187 | H | 77.1 | Confident | 79.8 | Confident | 100 Ų | 100 | 57.6 Ų | 57.6 | 46% | 0.463 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 135.7 | -178.5 | -164 | 83.2 | 0 | 0 | 0 | 111.8 | R189 R190 | H187-R189 VanDerWaalsContact C-N 3.27Å; H187-R189 PolarHBondContact O-N 3.49Å; H187-R189 VanDerWaalsContact O-N 3.07Å; H187-R190 PolarHBondContact N-O 3.41Å; H187-R190 WeakPolarHBondContact O-CB 3.3Å; H187-R190 PolarHBondContact O-N 3.35Å |
| 188 | K | 73.8 | Confident | 80.5 | Confident | 175 Ų | 175 | 56.3 Ų | 56.3 | 76% | 0.761 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.2 | 43.8 | 177.1 | -70.8 | 170 | -177.1 | 173.7 | 0 | 115.1 | R190 | K188-R190 VanDerWaalsContact C-N 3.28Å; K188-R190 PolarHBondContact O-N 3.19Å |
| 189 | R | 74.5 | Confident | 80.6 | Confident | 147 Ų | 147 | 53.4 Ų | 53.4 | 56% | 0.555 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71 | 5.3 | -176.7 | -51 | -179.1 | -177.4 | 167.7 | 0.3 | 116.3 | R116 L117 H187 | R116-R189 WeakPolarHBondContact CA-O 3.44Å; L117-R189 PolarHBondContact N-O 3.47Å; H187-R189 VanDerWaalsContact C-N 3.27Å; H187-R189 PolarHBondContact O-N 3.49Å; H187-R189 VanDerWaalsContact O-N 3.07Å |
| 190 | R | 77.4 | Confident | 80.1 | Confident | 94 Ų | 94 | 53 Ų | 53 | 36% | 0.355 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 150.5 | 171.2 | -45.8 | -158.1 | 176.4 | 164 | 0.5 | 110.2 | M48 R116 Y186 H187 K188 | M48-R190 PolarHBondContact SD-NH1 2.84Å; R116-R190 HydrophobicContact CG-CG 4.03Å; Y186-R190 CarbonylContact C-O 3.35Å; Y186-R190 VanDerWaalsContact CA-O 3.32Å; Y186-R190 WeakPolarHBondContact CA-O 3.14Å; Y186-R190 WeakPolarHBondContact CD2-O 3.46Å; H187-R190 PolarHBondContact N-O 3.41Å; H187-R190 WeakPolarHBondContact O-CB 3.3Å; H187-R190 PolarHBondContact O-N 3.35Å; K188-R190 VanDerWaalsContact C-N 3.28Å; K188-R190 PolarHBondContact O-N 3.19Å |
| 191 | L | 82.1 | Confident | 79.2 | Confident | 7 Ų | 7 | 49.8 Ų | 49.8 | 4% | 0.037 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 145.1 | 159.7 | -64.2 | 76 | 0 | 0 | 0 | 106.9 | V50 T54 A56 L67 L114 D115 L117 T185 Y186 | V50-L191 HydrophobicContact CG1-CB 3.81Å; V50-L191 HydrophobicContact CG1-CD2 4.17Å; V50-L191 HydrophobicContact CG2-CB 3.86Å; V50-L191 WeakPolarHBondContact CG2-O 3.4Å; T54-L191 HydrophobicContact CG2-CD2 3.84Å; A56-L191 HydrophobicContact CB-CD2 4.46Å; L67-L191 HydrophobicContact CD2-CD2 3.72Å; L67-L191 HydrophobicContact CD2-CG 3.97Å; L114-L191 HydrophobicContact CD1-CD1 4.49Å; D115-L191 PolarHBondContact O-N 2.88Å; D115-L191 VanDerWaalsContact O-N 3.14Å; L117-L191 HydrophobicContact CD1-CD1 4.1Å; T185-L191 WeakPolarHBondContact O-CA 3.19Å; Y186-L191 HydrophobicContact CD2-CD1 4.38Å; Y186-L191 HydrophobicContact CD2-CG 4.48Å |
| 192 | D | 76.5 | Confident | 78.1 | Confident | 92 Ų | 92 | 49.6 Ų | 49.6 | 49% | 0.492 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 153.6 | -173.7 | -167.3 | 7.5 | 0 | 0 | 0 | 109.2 | S184 T185 | S184-D192 CarbonylContact C-O 3.52Å; T185-D192 PolarHBondContact N-O 2.82Å; T185-D192 PolarHBondContact O-N 3.3Å; T185-D192 PolarHBondContact OG1-O 3.12Å |
| 193 | E | 80.8 | Confident | 77.4 | Confident | 30 Ų | 30 | 50.8 Ų | 50.8 | 14% | 0.14 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 114.6 | -174.8 | -55.6 | -65.3 | 161 | 0 | 0 | 110.4 | L51 T54 S184 | L51-E193 HydrophobicContact CD1-CG 3.72Å; L51-E193 HydrophobicContact CG-CG 3.99Å; T54-E193 PolarHBondContact OG1-OE1 3.39Å; S184-E193 WeakPolarHBondContact CA-OE2 3.34Å; S184-E193 VanDerWaalsContact CB-OE2 3.23Å; S184-E193 WeakPolarHBondContact CB-OE2 3.47Å; S184-E193 PolarHBondContact N-OE2 2.83Å; S184-E193 VanDerWaalsContact OG-CD 3.25Å; S184-E193 PolarHBondContact OG-OE1 3.11Å; S184-E193 VanDerWaalsContact OG-OE1 3.05Å; S184-E193 PolarHBondContact OG-OE2 2.94Å |
| 194 | E | 79.6 | Confident | 76.4 | Confident | 50 Ų | 50 | 50.8 Ų | 50.8 | 23% | 0.234 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 118.3 | 179.4 | -175.1 | 179.3 | -170.7 | 0 | 0 | 109.7 | F182 V183 T185 V196 H222 | F182-E194 CarbonylContact C-O 3.46Å; F182-E194 VanDerWaalsContact CA-O 3.22Å; F182-E194 WeakPolarHBondContact CA-O 3.41Å; F182-E194 WeakPolarHBondContact CB-O 3.3Å; V183-E194 HydrophobicContact CG1-CB 4.12Å; V183-E194 PolarHBondContact N-O 2.68Å; V183-E194 PolarHBondContact O-N 2.63Å; T185-E194 HydrophobicContact CG2-CB 3.56Å; E194-V196 VanDerWaalsContact O-CG1 3.29Å; E194-V196 WeakPolarHBondContact O-CG1 3.37Å; E194-V196 PolarHBondContact O-N 2.99Å; E194-H222 IonicContact OE1-CE1 2.71Å; E194-H222 IonicContact OE1-CG 3.17Å; E194-H222 IonicContact OE1-ND1 2.77Å; E194-H222 PolarHBondContact OE1-ND1 2.78Å; E194-H222 IonicContact OE2-CE1 3.48Å; E194-H222 PolarHBondContact OE2-CE1 3.38Å; E194-H222 IonicContact OE2-ND1 2.66Å; E194-H222 PolarHBondContact OE2-ND1 3.11Å |
| 195 | V | 82 | Confident | 75 | Confident | 79 Ų | 79 | 57.5 Ų | 57.5 | 48% | 0.479 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 126.1 | 172.6 | -178.8 | 0 | 0 | 0 | 0 | 109.1 | F180 | F180-V195 HydrophobicContact CD2-CG1 4.5Å; F180-V195 HydrophobicContact CE1-CG1 4.4Å; F180-V195 HydrophobicContact CE1-CG2 4.2Å; F180-V195 HydrophobicContact CE2-CG1 3.67Å; F180-V195 HydrophobicContact CE2-CG2 4.4Å; F180-V195 HydrophobicContact CZ-CB 4.27Å; F180-V195 HydrophobicContact CZ-CG1 3.62Å; F180-V195 HydrophobicContact CZ-CG2 3.58Å |
| 196 | V | 80.4 | Confident | 73.6 | Confident | 7 Ų | 7 | 57.3 Ų | 57.3 | 4% | 0.042 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 139 | -175.5 | -47.3 | 0 | 0 | 0 | 0 | 111 | C181 V183 E194 M198 H222 L235 | C181-V196 HydrophobicContact CB-CG2 3.72Å; C181-V196 PolarHBondContact O-N 3.45Å; V183-V196 HydrophobicContact CB-CG1 3.92Å; V183-V196 HydrophobicContact CG1-CG1 3.44Å; V183-V196 VanDerWaalsContact CG1-CG1 3.44Å; E194-V196 VanDerWaalsContact O-CG1 3.29Å; E194-V196 WeakPolarHBondContact O-CG1 3.37Å; E194-V196 PolarHBondContact O-N 2.99Å; V196-M198 HydrophobicContact CG2-SD 3.86Å; V196-H222 WeakPolarHBondContact CG1-CE1 3.31Å; V196-H222 VanDerWaalsContact CG1-NE2 3.29Å; V196-H222 WeakPolarHBondContact CG1-NE2 3.14Å; V196-L235 HydrophobicContact CG2-CD1 3.65Å |
| 197 | R | 77.2 | Confident | 71.8 | Confident | 155 Ų | 155 | 58.8 Ų | 58.8 | 59% | 0.585 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92 | 112.9 | 168.1 | -69.1 | -179.4 | 177.8 | 144.9 | 0.3 | 107.4 | S220 H221 E223 | R197-S220 CarbonylContact O-C 3.59Å; R197-S220 VanDerWaalsContact O-CA 3.25Å; R197-S220 WeakPolarHBondContact O-CA 3.34Å; R197-S220 WeakPolarHBondContact O-CB 3.42Å; R197-H221 PolarHBondContact O-N 3.12Å; R197-E223 IonicContact NH1-OE1 2.68Å; R197-E223 PolarHBondContact NH1-OE1 2.84Å |
| 198 | M | 81.6 | Confident | 70.6 | Confident | 12 Ų | 12 | 58.6 Ų | 58.6 | 6% | 0.059 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 165.1 | 176.8 | -65.2 | -49.9 | -65.5 | 0 | 0 | 111.5 | P175 C181 V196 S202 L218 C219 L235 S1045 | P175-M198 HydrophobicContact CG-CE 4.27Å; C181-M198 HydrophobicContact CB-CG 4.18Å; C181-M198 HydrophobicContact CB-SD 4.13Å; V196-M198 HydrophobicContact CG2-SD 3.86Å; M198-S202 WeakPolarHBondContact CB-OG 3.46Å; M198-L218 HydrophobicContact CE-CB 4.19Å; M198-C219 WeakPolarHBondContact CE-O 3.39Å; M198-L235 HydrophobicContact CE-CD2 3.68Å; M198-L235 HydrophobicContact SD-CD1 3.85Å; M198-L235 HydrophobicContact SD-CD2 4.03Å; M198-S1045 VanDerWaalsContact C-OG 3.26Å; M198-S1045 WeakPolarHBondContact O-CB 3.29Å; M198-S1045 PolarHBondContact O-OG 2.8Å |
| 199 | V | 69.9 | Low | 69.7 | Low | 3 Ų | 3 | 52.4 Ų | 52.4 | 2% | 0.018 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 154.3 | 166.7 | 161.5 | 0 | 0 | 0 | 0 | 109.2 | G201 S202 F206 C219 L266 S1045 | V199-G201 PolarHBondContact O-N 3.06Å; V199-S202 WeakPolarHBondContact O-CA 3.33Å; V199-S202 PolarHBondContact O-N 2.92Å; V199-F206 HydrophobicContact CB-CZ 4.04Å; V199-F206 HydrophobicContact CG1-CE1 3.69Å; V199-F206 HydrophobicContact CG1-CE2 4.15Å; V199-F206 HydrophobicContact CG1-CZ 3.25Å; V199-F206 HydrophobicContact CG2-CE2 4.31Å; V199-F206 HydrophobicContact CG2-CZ 3.59Å; V199-C219 HydrophobicContact CB-CB 3.99Å; V199-C219 VanDerWaalsContact CB-O 3.31Å; V199-C219 WeakPolarHBondContact CB-O 3.41Å; V199-C219 HydrophobicContact CG2-CB 3.56Å; V199-C219 WeakPolarHBondContact CG2-O 3.47Å; V199-C219 PolarHBondContact N-O 3.31Å; V199-L266 HydrophobicContact CG2-CD2 3.96Å; V199-S1045 PolarHBondContact O-OG 2.96Å |
| 200 | P | 61.6 | Low | 68.7 | Low | 12 Ų | 12 | 47.1 Ų | 47.1 | 8% | 0.078 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 126.4 | -178.8 | -34.5 | 44.7 | 0 | 0 | 0 | 112.9 | S202 T977 M983 S1044 S1045 F1051 | P200-S202 PolarHBondContact O-N 2.58Å; P200-T977 HydrophobicContact CG-CG2 3.72Å; P200-M983 HydrophobicContact CB-CE 3.37Å; P200-M983 HydrophobicContact CB-SD 4.32Å; P200-S1044 VanDerWaalsContact CG-CB 3.43Å; P200-S1044 WeakPolarHBondContact CG-OG 3.29Å; P200-S1045 VanDerWaalsContact CA-OG 3.31Å; P200-S1045 WeakPolarHBondContact CA-OG 3.42Å; P200-F1051 HydrophobicContact CG-CZ 4.47Å |
| 201 | G | 64.4 | Low | 67.7 | Low | 34 Ų | 34 | 44.5 Ų | 44.5 | 35% | 0.351 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 65 | 16.4 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114 | V174 D177 V199 V203 | V174-G201 WeakPolarHBondContact CG1-O 3.45Å; D177-G201 WeakPolarHBondContact OD1-CA 3.28Å; D177-G201 PolarHBondContact OD1-N 3.31Å; D177-G201 VanDerWaalsContact OD1-N 3.12Å; D177-G201 PolarHBondContact OD2-N 3.21Å; V199-G201 PolarHBondContact O-N 3.06Å; G201-V203 PolarHBondContact O-N 2.94Å |
| 202 | S | 65.3 | Low | 66.8 | Low | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 45.8 | -9.2 | -179 | -58.2 | 0 | 0 | 0 | 0 | 119.6 | M198 V199 P200 L218 C219 | M198-S202 WeakPolarHBondContact CB-OG 3.46Å; V199-S202 WeakPolarHBondContact O-CA 3.33Å; V199-S202 PolarHBondContact O-N 2.92Å; P200-S202 PolarHBondContact O-N 2.58Å; S202-L218 CarbonylContact O-C 3.25Å; S202-L218 WeakPolarHBondContact O-CA 3.44Å; S202-L218 WeakPolarHBondContact O-CB 3.27Å; S202-L218 WeakPolarHBondContact O-CD2 3.38Å; S202-C219 PolarHBondContact O-N 3.31Å |
| 203 | V | 71.6 | Confident | 66.1 | Low | 26 Ų | 26 | 42.3 Ų | 42.3 | 16% | 0.158 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 144.1 | 179.7 | -175.3 | 0 | 0 | 0 | 0 | 110.6 | V174 G201 K205 L218 | V174-V203 HydrophobicContact CG2-CG2 4.03Å; G201-V203 PolarHBondContact O-N 2.94Å; V203-K205 HydrophobicContact CB-CG 4.33Å; V203-K205 HydrophobicContact CG1-CD 4.45Å; V203-K205 HydrophobicContact CG1-CG 3.93Å; V203-K205 PolarHBondContact O-N 3.4Å; V203-L218 HydrophobicContact CG2-CD2 4.22Å |
| 204 | C | 68.6 | Low | 65.4 | Low | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -71.3 | 61.9 | 177.8 | -52.6 | 0 | 0 | 0 | 0 | 113.9 | F206 L212 G217 L218 C219 F268 | C204-F206 PolarHBondContact O-N 3.34Å; C204-L212 HydrophobicContact CB-CB 3.92Å; C204-L212 HydrophobicContact CB-CD1 4.21Å; C204-G217 PolarHBondContact N-O 2.93Å; C204-G217 VanDerWaalsContact N-O 3.15Å; C204-G217 PolarHBondContact SG-O 3.03Å; C204-L218 PolarHBondContact SG-O 2.95Å; C204-C219 HydrophobicContact CB-CB 4.12Å; C204-C219 WeakPolarHBondContact CB-SG 3.45Å; C204-C219 WeakPolarHBondContact SG-CB 3.11Å; C204-C219 PolarHBondContact SG-N 2.96Å; C204-C219 VanDerWaalsContact SG-N 3.44Å; C204-C219 CovalentContact SG-SG 2.03Å; C204-C219 PolarHBondContact SG-SG 3.11Å; C204-F268 HydrophobicContact CB-CD2 4.3Å; C204-F268 HydrophobicContact CB-CE2 4.23Å; C204-F268 WeakPolarHBondContact SG-CD2 3.33Å; C204-F268 VanDerWaalsContact SG-CE2 3.55Å | ||
| 205 | K | 60.8 | Low | 65 | Low | 141 Ų | 141 | 42 Ų | 42 | 61% | 0.613 | 24% | 0.24 | S | C | * | . | trans | -98.8 | 73.3 | 178.9 | -69.5 | -177.9 | -178.4 | 174.3 | 0 | 111.5 | V203 | V203-K205 HydrophobicContact CB-CG 4.33Å; V203-K205 HydrophobicContact CG1-CD 4.45Å; V203-K205 HydrophobicContact CG1-CG 3.93Å; V203-K205 PolarHBondContact O-N 3.4Å | ||
| 206 | F | 57.2 | Low | 64.8 | Low | 11 Ų | 11 | 44.8 Ų | 44.8 | 5% | 0.048 | 24% | 0.242 | C | C | . | . | trans | -111.9 | 138.1 | 177.1 | -53.9 | -61.8 | 0 | 0 | 0 | 111 | V199 C204 H208 F209 C219 L266 S976 | V199-F206 HydrophobicContact CB-CZ 4.04Å; V199-F206 HydrophobicContact CG1-CE1 3.69Å; V199-F206 HydrophobicContact CG1-CE2 4.15Å; V199-F206 HydrophobicContact CG1-CZ 3.25Å; V199-F206 HydrophobicContact CG2-CE2 4.31Å; V199-F206 HydrophobicContact CG2-CZ 3.59Å; C204-F206 PolarHBondContact O-N 3.34Å; F206-H208 PolarHBondContact O-N 2.85Å; F206-H208 VanDerWaalsContact O-N 3.1Å; F206-F209 HydrophobicContact CB-CD2 4.17Å; F206-F209 HydrophobicContact CD2-CD2 4.03Å; F206-F209 HydrophobicContact CG-CD2 4.49Å; F206-F209 CarbonylContact O-C 3.52Å; F206-F209 VanDerWaalsContact O-C 3.32Å; F206-F209 PolarHBondContact O-N 2.95Å; F206-C219 HydrophobicContact CE2-CB 4.18Å; F206-L266 HydrophobicContact CD2-CD2 4.08Å; F206-L266 HydrophobicContact CE1-CD2 4.26Å; F206-L266 HydrophobicContact CE2-CD2 3.14Å; F206-L266 HydrophobicContact CZ-CD2 3.21Å; F206-S976 WeakPolarHBondContact CD1-O 3.47Å | ||
| 207 | G | 45.6 | Very low | 64.9 | Low | 60 Ų | 60 | 44.5 Ų | 44.5 | 62% | 0.619 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -22.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 208 | H | 51.3 | Low | 65.5 | Low | 95 Ų | 95 | 37.2 Ų | 37.2 | 44% | 0.44 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -18.7 | 175 | -56.9 | -82.8 | 0 | 0 | 0 | 114.5 | F206 S975 | F206-H208 PolarHBondContact O-N 2.85Å; F206-H208 VanDerWaalsContact O-N 3.1Å; H208-S975 PolarHBondContact NE2-O 2.84Å |
| 209 | F | 56 | Low | 65.6 | Low | 46 Ų | 46 | 36.6 Ų | 36.6 | 20% | 0.202 | 21% | 0.21 | C | C | . | . | trans | -136.6 | 54.3 | -178.5 | -56 | -68.5 | 0 | 0 | 0 | 111.4 | F206 E211 L212 L253 T255 | F206-F209 HydrophobicContact CB-CD2 4.17Å; F206-F209 HydrophobicContact CD2-CD2 4.03Å; F206-F209 HydrophobicContact CG-CD2 4.49Å; F206-F209 CarbonylContact O-C 3.52Å; F206-F209 VanDerWaalsContact O-C 3.32Å; F206-F209 PolarHBondContact O-N 2.95Å; F209-E211 PolarHBondContact O-N 2.68Å; F209-L212 HydrophobicContact CB-CB 4.47Å; F209-L212 HydrophobicContact CB-CD1 3.63Å; F209-L212 HydrophobicContact CB-CG 3.96Å; F209-L212 HydrophobicContact CG-CD1 4.07Å; F209-L212 PolarHBondContact O-N 3.4Å; F209-L253 HydrophobicContact CD2-CD1 4.36Å; F209-L253 HydrophobicContact CE2-CB 4.28Å; F209-L253 HydrophobicContact CE2-CD1 4.41Å; F209-L253 HydrophobicContact CZ-CB 4.09Å; F209-T255 HydrophobicContact CE2-CG2 4.26Å | ||
| 210 | P | 53.7 | Low | 66.3 | Low | 35 Ų | 35 | 36.5 Ų | 36.5 | 23% | 0.227 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -61.1 | -25.6 | -175.5 | 30.8 | -38.1 | 0 | 0 | 0 | 111.1 | L212 A213 V395 V396 | P210-L212 PolarHBondContact O-N 2.66Å; P210-A213 VanDerWaalsContact O-CB 3.24Å; P210-A213 WeakPolarHBondContact O-CB 3.38Å; P210-A213 PolarHBondContact O-N 2.99Å; P210-A213 VanDerWaalsContact O-N 3.08Å; P210-V395 WeakPolarHBondContact CG-O 3.33Å; P210-V396 HydrophobicContact CB-CB 4.29Å; P210-V396 HydrophobicContact CB-CG1 3.92Å; P210-V396 HydrophobicContact CB-CG2 3.7Å; P210-V396 HydrophobicContact CG-CB 4.47Å; P210-V396 HydrophobicContact CG-CG2 3.72Å |
| 211 | E | 55.4 | Low | 66.9 | Low | 39 Ų | 39 | 37.2 Ų | 37.2 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -60.7 | -23.8 | 175.3 | -48.8 | 170.3 | 161.9 | 0 | 0 | 115.6 | V140 F209 A213 S214 V395 A400 | V140-E211 WeakPolarHBondContact CB-OE2 3.1Å; V140-E211 HydrophobicContact CG2-CG 4.22Å; V140-E211 WeakPolarHBondContact CG2-OE1 3.36Å; V140-E211 WeakPolarHBondContact CG2-OE2 3.2Å; F209-E211 PolarHBondContact O-N 2.68Å; E211-A213 VanDerWaalsContact C-N 3.33Å; E211-S214 PolarHBondContact O-OG 3.26Å; E211-V395 WeakPolarHBondContact CG-O 3.38Å; E211-A400 HydrophobicContact CG-CB 4.14Å |
| 212 | L | 64.3 | Low | 67.1 | Low | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -81 | -18.3 | 178.2 | -58.8 | 179.2 | 0 | 0 | 0 | 111.7 | I144 C204 F209 P210 S214 T215 L253 F268 | I144-L212 HydrophobicContact CD1-CD2 3.78Å; C204-L212 HydrophobicContact CB-CB 3.92Å; C204-L212 HydrophobicContact CB-CD1 4.21Å; F209-L212 HydrophobicContact CB-CB 4.47Å; F209-L212 HydrophobicContact CB-CD1 3.63Å; F209-L212 HydrophobicContact CB-CG 3.96Å; F209-L212 HydrophobicContact CG-CD1 4.07Å; F209-L212 PolarHBondContact O-N 3.4Å; P210-L212 PolarHBondContact O-N 2.66Å; L212-S214 PolarHBondContact O-N 2.83Å; L212-T215 WeakPolarHBondContact O-CB 3.46Å; L212-T215 PolarHBondContact O-N 2.99Å; L212-T215 PolarHBondContact O-OG1 2.86Å; L212-L253 HydrophobicContact CD1-CD1 3.45Å; L212-L253 VanDerWaalsContact CD1-CD1 3.45Å; L212-L253 HydrophobicContact CD1-CD2 4.03Å; L212-L253 HydrophobicContact CD1-CG 4.39Å; L212-F268 HydrophobicContact CB-CE2 4.1Å; L212-F268 HydrophobicContact CD1-CD2 3.83Å; L212-F268 HydrophobicContact CD1-CE2 4.11Å; L212-F268 HydrophobicContact CD2-CD2 4.1Å; L212-F268 HydrophobicContact CD2-CE2 3.8Å; L212-F268 HydrophobicContact CD2-CZ 4.37Å; L212-F268 HydrophobicContact CG-CD2 4.41Å; L212-F268 HydrophobicContact CG-CE2 4.22Å |
| 213 | A | 61.3 | Low | 66.5 | Low | 51 Ų | 51 | 42.9 Ų | 42.9 | 42% | 0.421 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -60.6 | -32.4 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | P210 E211 T215 | P210-A213 VanDerWaalsContact O-CB 3.24Å; P210-A213 WeakPolarHBondContact O-CB 3.38Å; P210-A213 PolarHBondContact O-N 2.99Å; P210-A213 VanDerWaalsContact O-N 3.08Å; E211-A213 VanDerWaalsContact C-N 3.33Å; A213-T215 VanDerWaalsContact C-N 3.33Å; A213-T215 PolarHBondContact O-N 2.89Å |
| 214 | S | 65.6 | Low | 65.9 | Low | 66 Ų | 66 | 50.8 Ų | 50.8 | 46% | 0.462 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -75.3 | -17.7 | 176.7 | 57.8 | 0 | 0 | 0 | 0 | 114.2 | E211 L212 R216 | E211-S214 PolarHBondContact O-OG 3.26Å; L212-S214 PolarHBondContact O-N 2.83Å; S214-R216 VanDerWaalsContact C-N 3.33Å |
| 215 | T | 70.6 | Confident | 65 | Low | 6 Ų | 6 | 52.8 Ų | 52.8 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -78.6 | -17.3 | -176.4 | 66.7 | 0 | 0 | 0 | 0 | 114 | Y137 T139 L212 A213 G217 F268 | Y137-T215 HydrophobicContact CD1-CG2 4.03Å; Y137-T215 VanDerWaalsContact CE1-O 3.26Å; Y137-T215 WeakPolarHBondContact CE1-O 3.48Å; Y137-T215 HydrophobicContact CG-CG2 4.08Å; T139-T215 HydrophobicContact CG2-CG2 3.29Å; L212-T215 WeakPolarHBondContact O-CB 3.46Å; L212-T215 PolarHBondContact O-N 2.99Å; L212-T215 PolarHBondContact O-OG1 2.86Å; A213-T215 VanDerWaalsContact C-N 3.33Å; A213-T215 PolarHBondContact O-N 2.89Å; T215-G217 PolarHBondContact O-N 3.46Å; T215-G217 VanDerWaalsContact O-N 3.11Å; T215-G217 PolarHBondContact OG1-N 2.72Å; T215-F268 HydrophobicContact CG2-CZ 4.34Å; T215-F268 WeakPolarHBondContact OG1-CZ 3.29Å |
| 216 | R | 77.8 | Confident | 64.6 | Low | 139 Ų | 139 | 52 Ų | 52 | 53% | 0.525 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 23.1 | -165.5 | -55.8 | 179.7 | 178.3 | -178.8 | -1.3 | 113.3 | Y172 S214 | Y172-R216 HydrophobicContact CD1-CB 3.64Å; Y172-R216 VanDerWaalsContact CD1-CD 3.45Å; Y172-R216 HydrophobicContact CD1-CG 4.2Å; Y172-R216 HydrophobicContact CE1-CB 3.86Å; Y172-R216 HydrophobicContact CE1-CG 4.33Å; S214-R216 VanDerWaalsContact C-N 3.33Å |
| 217 | G | 83.7 | Confident | 64.5 | Low | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.276 | C | S | . | . | trans | -72.4 | 154.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | C204 T215 Y269 | C204-G217 PolarHBondContact N-O 2.93Å; C204-G217 VanDerWaalsContact N-O 3.15Å; C204-G217 PolarHBondContact SG-O 3.03Å; T215-G217 PolarHBondContact O-N 3.46Å; T215-G217 VanDerWaalsContact O-N 3.11Å; T215-G217 PolarHBondContact OG1-N 2.72Å; G217-Y269 CarbonylContact C-O 3.55Å; G217-Y269 VanDerWaalsContact CA-O 3.26Å; G217-Y269 WeakPolarHBondContact CA-O 3.49Å | ||
| 218 | L | 88.8 | Confident | 65 | Low | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 153.8 | -179.8 | -56.6 | 172.1 | 0 | 0 | 0 | 110.5 | P175 M198 S202 V203 C204 L235 F246 Y269 | P175-L218 HydrophobicContact CG-CD1 4.17Å; M198-L218 HydrophobicContact CE-CB 4.19Å; S202-L218 CarbonylContact O-C 3.25Å; S202-L218 WeakPolarHBondContact O-CA 3.44Å; S202-L218 WeakPolarHBondContact O-CB 3.27Å; S202-L218 WeakPolarHBondContact O-CD2 3.38Å; V203-L218 HydrophobicContact CG2-CD2 4.22Å; C204-L218 PolarHBondContact SG-O 2.95Å; L218-L235 HydrophobicContact CB-CD2 4.23Å; L218-L235 HydrophobicContact CD1-CD2 3.96Å; L218-F246 HydrophobicContact CD1-CB 3.65Å; L218-Y269 PolarHBondContact N-O 2.91Å; L218-Y269 WeakPolarHBondContact O-CD2 3.48Å; L218-Y269 PolarHBondContact O-N 2.92Å |
| 219 | C | 85.3 | Confident | 65.9 | Low | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 151.4 | 178.2 | -81 | 0 | 0 | 0 | 0 | 112.7 | M198 V199 S202 C204 F206 L266 H267 | M198-C219 WeakPolarHBondContact CE-O 3.39Å; V199-C219 HydrophobicContact CB-CB 3.99Å; V199-C219 VanDerWaalsContact CB-O 3.31Å; V199-C219 WeakPolarHBondContact CB-O 3.41Å; V199-C219 HydrophobicContact CG2-CB 3.56Å; V199-C219 WeakPolarHBondContact CG2-O 3.47Å; V199-C219 PolarHBondContact N-O 3.31Å; S202-C219 PolarHBondContact O-N 3.31Å; C204-C219 HydrophobicContact CB-CB 4.12Å; C204-C219 WeakPolarHBondContact CB-SG 3.45Å; C204-C219 WeakPolarHBondContact SG-CB 3.11Å; C204-C219 PolarHBondContact SG-N 2.96Å; C204-C219 VanDerWaalsContact SG-N 3.44Å; C204-C219 CovalentContact SG-SG 2.03Å; C204-C219 PolarHBondContact SG-SG 3.11Å; F206-C219 HydrophobicContact CE2-CB 4.18Å; C219-L266 HydrophobicContact CB-CD2 4.5Å; C219-H267 WeakPolarHBondContact CA-O 3.44Å |
| 220 | S | 83.3 | Confident | 67.2 | Low | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 158.3 | 170.3 | 70.6 | 0 | 0 | 0 | 0 | 111.2 | R197 H222 L266 H267 Y269 | R197-S220 CarbonylContact O-C 3.59Å; R197-S220 VanDerWaalsContact O-CA 3.25Å; R197-S220 WeakPolarHBondContact O-CA 3.34Å; R197-S220 WeakPolarHBondContact O-CB 3.42Å; S220-H222 PolarHBondContact OG-CD2 2.05Å; S220-H222 PolarHBondContact OG-NE2 3.23Å; S220-L266 CarbonylContact O-C 3.57Å; S220-L266 VanDerWaalsContact O-CA 3.28Å; S220-L266 WeakPolarHBondContact O-CA 3.42Å; S220-H267 PolarHBondContact N-O 2.98Å; S220-H267 VanDerWaalsContact N-O 3.1Å; S220-H267 PolarHBondContact O-N 3.09Å; S220-Y269 VanDerWaalsContact OG-CE2 3.25Å; S220-Y269 WeakPolarHBondContact OG-CE2 3.13Å; S220-Y269 PolarHBondContact OG-OH 3.35Å |
| 221 | H | 74 | Confident | 68.9 | Low | 27 Ų | 27 | 55 Ų | 55 | 13% | 0.125 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 132.5 | 171.9 | -70 | -77.8 | 0 | 0 | 0 | 111 | R197 Y974 T977 | R197-H221 PolarHBondContact O-N 3.12Å; H221-Y974 AromaticContact CE1-CD2 3.28Å; H221-Y974 WeakPolarHBondContact CE1-CD2 3.24Å; H221-Y974 AromaticContact CE1-CE2 3.81Å; H221-Y974 AromaticContact CG-CE2 3.92Å; H221-Y974 AromaticContact ND1-CD2 3.54Å; H221-Y974 AromaticContact ND1-CE2 3.67Å; H221-Y974 AromaticContact NE2-CD2 3.76Å; H221-T977 PolarHBondContact CE1-OG1 2.98Å; H221-T977 PolarHBondContact NE2-OG1 3.39Å |
| 222 | H | 68.1 | Low | 70.7 | Confident | 9 Ų | 9 | 53.2 Ų | 53.2 | 4% | 0.042 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 138.3 | 175.1 | -77.1 | -104.1 | 0 | 0 | 0 | 111.6 | E194 V196 S220 A265 H267 Y269 | E194-H222 IonicContact OE1-CE1 2.71Å; E194-H222 IonicContact OE1-CG 3.17Å; E194-H222 IonicContact OE1-ND1 2.77Å; E194-H222 PolarHBondContact OE1-ND1 2.78Å; E194-H222 IonicContact OE2-CE1 3.48Å; E194-H222 PolarHBondContact OE2-CE1 3.38Å; E194-H222 IonicContact OE2-ND1 2.66Å; E194-H222 PolarHBondContact OE2-ND1 3.11Å; V196-H222 WeakPolarHBondContact CG1-CE1 3.31Å; V196-H222 VanDerWaalsContact CG1-NE2 3.29Å; V196-H222 WeakPolarHBondContact CG1-NE2 3.14Å; S220-H222 PolarHBondContact OG-CD2 2.05Å; S220-H222 PolarHBondContact OG-NE2 3.23Å; H222-A265 HydrophobicContact CB-CB 4.3Å; H222-A265 PolarHBondContact N-O 3.19Å; H222-A265 PolarHBondContact O-N 2.52Å; H222-A265 VanDerWaalsContact O-N 3.12Å; H222-A265 VanDerWaalsContact O-O 3.12Å; H222-H267 AromaticContact CD2-CD2 3.73Å; H222-H267 AromaticContact CD2-CE1 3.52Å; H222-H267 AromaticContact CD2-CG 3.24Å; H222-H267 AromaticContact CD2-ND1 3.12Å; H222-H267 PolarHBondContact CD2-ND1 2.92Å; H222-H267 AromaticContact CD2-NE2 3.91Å; H222-H267 AromaticContact CE1-CE1 3.37Å; H222-H267 PolarHBondContact CE1-CE1 2.77Å; H222-H267 AromaticContact CE1-ND1 3.22Å; H222-H267 PolarHBondContact CE1-ND1 2.59Å; H222-H267 AromaticContact CG-CD2 3.83Å; H222-H267 AromaticContact CG-CE1 3.32Å; H222-H267 AromaticContact CG-CG 3.75Å; H222-H267 AromaticContact CG-ND1 3.46Å; H222-H267 AromaticContact CG-NE2 3.59Å; H222-H267 AromaticContact ND1-CE1 3.23Å; H222-H267 PolarHBondContact ND1-CE1 3.25Å; H222-H267 AromaticContact ND1-ND1 3.52Å; H222-H267 AromaticContact ND1-NE2 3.9Å; H222-H267 AromaticContact NE2-CE1 3.56Å; H222-H267 AromaticContact NE2-CG 3.52Å; H222-H267 AromaticContact NE2-ND1 2.96Å; H222-H267 PolarHBondContact NE2-ND1 2.98Å; H222-Y269 PolarHBondContact NE2-OH 3.47Å |
| 223 | E | 54.5 | Low | 72.1 | Confident | 145 Ų | 145 | 53 Ų | 53 | 68% | 0.678 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -82.4 | -14.5 | -178.2 | -62.3 | -178.5 | 174.7 | 0 | 0 | 112.7 | R197 | R197-E223 IonicContact NH1-OE1 2.68Å; R197-E223 PolarHBondContact NH1-OE1 2.84Å |
| 224 | R | 57.3 | Low | 73.7 | Confident | 192 Ų | 192 | 50.6 Ų | 50.6 | 73% | 0.725 | 24% | 0.242 | S | C | * | . | trans | -114.3 | 130 | -179.7 | -68.1 | -179.5 | 179.3 | 147.5 | 1.6 | 110.8 | D226 | R224-D226 PolarHBondContact O-N 3.17Š| ||
| 225 | A | 49.9 | Very low | 75.1 | Confident | 42 Ų | 42 | 47.5 Ų | 47.5 | 35% | 0.347 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -94.2 | 18.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q252 K263 A265 | A225-Q252 VanDerWaalsContact C-NE2 3.34Å; A225-Q252 VanDerWaalsContact CA-NE2 3.33Å; A225-Q252 PolarHBondContact O-NE2 3.28Å; A225-Q252 PolarHBondContact O-OE1 3.35Å; A225-K263 HydrophobicContact CB-CB 4.16Å; A225-K263 HydrophobicContact CB-CD 4.45Å; A225-A265 HydrophobicContact CB-CB 4.41Å |
| 226 | D | 52.7 | Low | 76.2 | Confident | 125 Ų | 125 | 47.2 Ų | 47.2 | 67% | 0.668 | 22% | 0.218 | S | C | * | . | trans | -134 | 81.2 | -179.7 | -176 | 8.1 | 0 | 0 | 0 | 110.4 | R224 | R224-D226 PolarHBondContact O-N 3.17Š| ||
| 227 | T | 54.7 | Low | 76.9 | Confident | 10 Ų | 10 | 40.6 Ų | 40.6 | 6% | 0.061 | 19% | 0.193 | C | C | . | . | trans | -122.9 | 29.9 | -176.3 | 64.5 | 0 | 0 | 0 | 0 | 112.3 | K229 S230 Y249 Q252 H267 | T227-K229 PolarHBondContact O-N 3.42Å; T227-S230 PolarHBondContact O-N 3.27Å; T227-Y249 PolarHBondContact OG1-OH 3.02Å; T227-Q252 PolarHBondContact OG1-OE1 3.25Å; T227-H267 WeakPolarHBondContact CB-NE2 2.96Å; T227-H267 VanDerWaalsContact CG2-NE2 3.34Å; T227-H267 WeakPolarHBondContact CG2-NE2 2.99Å; T227-H267 PolarHBondContact OG1-CE1 3.03Å; T227-H267 PolarHBondContact OG1-NE2 2.54Å | ||
| 228 | E | 55.8 | Low | 77.1 | Confident | 164 Ų | 164 | 42.3 Ų | 42.3 | 77% | 0.766 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | -20.1 | 177.1 | -73 | -162.3 | 156.2 | 0 | 0 | 114.1 | ||
| 229 | K | 71.4 | Confident | 76.9 | Confident | 95 Ų | 95 | 44.1 Ų | 44.1 | 41% | 0.413 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | -0.2 | -173.9 | -59.7 | 172.6 | -170.6 | 151.7 | 0 | 114 | Y186 T227 L231 | Y186-K229 WeakPolarHBondContact CB-O 3.32Å; Y186-K229 HydrophobicContact CD1-CB 4.19Å; Y186-K229 HydrophobicContact CD1-CD 4.34Å; Y186-K229 HydrophobicContact CD1-CG 4.43Å; Y186-K229 PolarHBondContact N-O 3.42Å; Y186-K229 WeakPolarHBondContact O-CB 3.43Å; Y186-K229 WeakPolarHBondContact O-CD 3.44Å; T227-K229 PolarHBondContact O-N 3.42Å; K229-L231 VanDerWaalsContact C-N 3.32Å |
| 230 | S | 82.3 | Confident | 76.7 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 3% | 0.028 | 25% | 0.254 | C | S | . | . | trans | -86.1 | -4 | 173.2 | -49.3 | 0 | 0 | 0 | 0 | 112.6 | T185 T227 G232 G233 Y249 | T185-S230 WeakPolarHBondContact CB-OG 3.41Å; T185-S230 WeakPolarHBondContact CG2-OG 3.41Å; T227-S230 PolarHBondContact O-N 3.27Å; S230-G232 PolarHBondContact O-N 2.79Å; S230-G233 WeakPolarHBondContact O-CA 3.32Å; S230-G233 PolarHBondContact O-N 2.97Å; S230-Y249 WeakPolarHBondContact O-CD1 3.41Å | ||
| 231 | L | 91 | Very high | 76.4 | Confident | 37 Ų | 37 | 55.1 Ų | 55.1 | 19% | 0.194 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 124.1 | -175.8 | -173.3 | 64.5 | 0 | 0 | 0 | 112.5 | C66 L67 A90 K229 G233 L250 | C66-L231 CarbonylContact C-O 3.55Å; C66-L231 VanDerWaalsContact CA-O 3.23Å; C66-L231 WeakPolarHBondContact CA-O 2.89Å; C66-L231 WeakPolarHBondContact CB-O 3.33Å; L67-L231 PolarHBondContact N-O 3.41Å; A90-L231 HydrophobicContact CB-CD1 3.96Å; A90-L231 HydrophobicContact CB-CG 4.29Å; K229-L231 VanDerWaalsContact C-N 3.32Å; L231-G233 VanDerWaalsContact C-N 3.27Å; L231-L250 VanDerWaalsContact CD1-O 3.23Å; L231-L250 WeakPolarHBondContact CD1-O 3.37Å |
| 232 | G | 93.1 | Very high | 77 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | -3.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | L67 G68 S230 Y249 | L67-G232 CarbonylContact C-O 3.57Å; L67-G232 CarbonylContact O-C 3.59Å; G68-G232 WeakPolarHBondContact CA-O 3.19Å; G68-G232 PolarHBondContact N-O 2.95Å; S230-G232 PolarHBondContact O-N 2.79Å; G232-Y249 PolarHBondContact N-O 3.45Å |
| 233 | G | 93.4 | Very high | 78.2 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | trans | -62.2 | 135.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S230 L231 Y249 | S230-G233 WeakPolarHBondContact O-CA 3.32Å; S230-G233 PolarHBondContact O-N 2.97Å; L231-G233 VanDerWaalsContact C-N 3.27Å; G233-Y249 PolarHBondContact O-N 3.47Å | ||
| 234 | P | 95.6 | Very high | 80 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 134.2 | 179 | 31.9 | -36.6 | 0 | 0 | 0 | 110.6 | V183 V236 Q245 | V183-P234 WeakPolarHBondContact CA-O 3.47Å; P234-V236 HydrophobicContact CB-CG2 3.83Å; P234-V236 HydrophobicContact CG-CG2 4.16Å; P234-Q245 HydrophobicContact CB-CG 3.93Å |
| 235 | L | 94.5 | Very high | 81.8 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 111 | 162.5 | 173 | 65.9 | 0 | 0 | 0 | 107.8 | C181 V196 M198 L218 Q245 F246 G247 Y269 | C181-L235 HydrophobicContact CB-CD1 4.22Å; V196-L235 HydrophobicContact CG2-CD1 3.65Å; M198-L235 HydrophobicContact CE-CD2 3.68Å; M198-L235 HydrophobicContact SD-CD1 3.85Å; M198-L235 HydrophobicContact SD-CD2 4.03Å; L218-L235 HydrophobicContact CB-CD2 4.23Å; L218-L235 HydrophobicContact CD1-CD2 3.96Å; L235-Q245 CarbonylContact O-C 3.45Å; L235-Q245 VanDerWaalsContact O-CA 3.32Å; L235-Q245 WeakPolarHBondContact O-CA 3.32Å; L235-Q245 WeakPolarHBondContact O-CG 3.45Å; L235-F246 HydrophobicContact CD2-CB 4.33Å; L235-F246 PolarHBondContact O-N 3.17Å; L235-G247 PolarHBondContact N-O 3.2Å; L235-G247 PolarHBondContact O-N 2.76Å; L235-Y269 HydrophobicContact CB-CD1 3.52Å; L235-Y269 HydrophobicContact CB-CE1 3.79Å; L235-Y269 HydrophobicContact CB-CG 4.1Å; L235-Y269 HydrophobicContact CD1-CE1 4.22Å; L235-Y269 HydrophobicContact CD2-CD1 4.17Å; L235-Y269 HydrophobicContact CD2-CD2 4.08Å; L235-Y269 HydrophobicContact CD2-CG 3.9Å; L235-Y269 HydrophobicContact CG-CD1 4.3Å; L235-Y269 HydrophobicContact CG-CE1 4.4Å |
| 236 | V | 93.8 | Very high | 83.9 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 134.1 | -177 | -178 | 0 | 0 | 0 | 0 | 109.1 | W53 V166 C181 F182 P234 A243 F244 Q245 | W53-V236 HydrophobicContact CZ2-CG1 4.15Å; V166-V236 HydrophobicContact CG2-CG1 3.97Å; V166-V236 HydrophobicContact CG2-CG2 4.14Å; C181-V236 CarbonylContact C-O 3.32Å; C181-V236 VanDerWaalsContact CA-O 3.3Å; C181-V236 WeakPolarHBondContact CA-O 3.43Å; F182-V236 HydrophobicContact CD2-CB 4.13Å; F182-V236 HydrophobicContact CE1-CG1 4.43Å; F182-V236 HydrophobicContact CE2-CB 3.48Å; F182-V236 VanDerWaalsContact CE2-CB 3.48Å; F182-V236 HydrophobicContact CE2-CG1 3.77Å; F182-V236 HydrophobicContact CE2-CG2 4.24Å; F182-V236 HydrophobicContact CZ-CB 3.77Å; F182-V236 HydrophobicContact CZ-CG1 3.56Å; F182-V236 PolarHBondContact N-O 2.83Å; F182-V236 PolarHBondContact O-N 2.99Å; P234-V236 HydrophobicContact CB-CG2 3.83Å; P234-V236 HydrophobicContact CG-CG2 4.16Å; V236-A243 HydrophobicContact CG1-CB 3.71Å; V236-F244 CarbonylContact C-O 3.47Å; V236-F244 WeakPolarHBondContact CA-O 3.35Å; V236-Q245 HydrophobicContact CG2-CB 4.28Å; V236-Q245 HydrophobicContact CG2-CG 4.4Å |
| 237 | C | 91.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 144.4 | 179.2 | -56.3 | 0 | 0 | 0 | 0 | 110.5 | P175 F180 C181 F244 F246 | P175-C237 HydrophobicContact CB-CB 4.41Å; F180-C237 WeakPolarHBondContact O-CA 3.08Å; C181-C237 HydrophobicContact CB-CB 4.11Å; C181-C237 WeakPolarHBondContact CB-SG 3.09Å; C181-C237 WeakPolarHBondContact SG-CB 3.28Å; C181-C237 CovalentContact SG-SG 2.04Å; C181-C237 PolarHBondContact SG-SG 3.33Å; C237-F244 PolarHBondContact N-O 3.49Å; C237-F244 PolarHBondContact O-N 2.64Å; C237-F246 HydrophobicContact CB-CD2 3.83Å; C237-F246 HydrophobicContact CB-CE2 3.91Å |
| 238 | M | 88.1 | Confident | 87.7 | Confident | 37 Ų | 37 | 34.7 Ų | 34.7 | 18% | 0.182 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 121 | 178.9 | -64.4 | -54.1 | -59.6 | 0 | 0 | 110.8 | I38 F180 F182 G241 A243 | I38-M238 HydrophobicContact CB-CE 4.04Å; I38-M238 HydrophobicContact CB-SD 4.36Å; I38-M238 HydrophobicContact CD1-CE 3.79Å; I38-M238 HydrophobicContact CD1-SD 4.19Å; I38-M238 HydrophobicContact CG2-CE 3.92Å; I38-M238 HydrophobicContact CG2-SD 3.59Å; I38-M238 VanDerWaalsContact CG2-SD 3.59Å; F180-M238 HydrophobicContact CB-CB 4.47Å; F180-M238 PolarHBondContact O-N 3.22Å; F182-M238 HydrophobicContact CE1-CG 4.15Å; F182-M238 HydrophobicContact CE1-SD 4.24Å; M238-G241 WeakPolarHBondContact CE-O 3.36Å; M238-A243 HydrophobicContact SD-CB 4Å |
| 239 | I | 84.5 | Confident | 89.5 | Confident | 40 Ų | 40 | 27.3 Ų | 27.3 | 21% | 0.205 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 121.4 | 176.3 | -58.5 | 179.1 | 0 | 0 | 0 | 107.5 | P176 G241 R242 F244 F246 | P176-I239 HydrophobicContact CG-CD1 4.02Å; P176-I239 HydrophobicContact CG-CG1 4.37Å; I239-G241 PolarHBondContact O-N 3.38Å; I239-G241 VanDerWaalsContact O-N 3.15Å; I239-R242 PolarHBondContact N-O 3.45Å; I239-R242 PolarHBondContact O-N 3.29Å; I239-R242 VanDerWaalsContact O-O 3.12Å; I239-F244 HydrophobicContact CB-CD2 3.9Å; I239-F244 HydrophobicContact CB-CE2 4.08Å; I239-F244 HydrophobicContact CD1-CD2 4.39Å; I239-F244 HydrophobicContact CG1-CD2 4.38Å; I239-F246 HydrophobicContact CD1-CE2 3.62Å; I239-F246 HydrophobicContact CD1-CZ 3.48Å; I239-F246 VanDerWaalsContact CD1-CZ 3.48Å |
| 240 | N | 80.5 | Confident | 90.4 | Very high | 167 Ų | 167 | 23 Ų | 23 | 89% | 0.893 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 41.8 | 178.8 | -56.6 | -9.1 | 0 | 0 | 0 | 113.4 | R242 | N240-R242 VanDerWaalsContact C-N 3.27Å; N240-R242 PolarHBondContact O-N 3.06Å |
| 241 | G | 78.3 | Confident | 90.5 | Very high | 64 Ų | 64 | 23.1 Ų | 23.1 | 66% | 0.66 | 13% | 0.13 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | -3.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116 | M238 I239 | M238-G241 WeakPolarHBondContact CE-O 3.36Å; I239-G241 PolarHBondContact O-N 3.38Å; I239-G241 VanDerWaalsContact O-N 3.15Å |
| 242 | R | 87 | Confident | 89.9 | Confident | 63 Ų | 63 | 22.7 Ų | 22.7 | 24% | 0.238 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 143.9 | -178.5 | -177 | -176.5 | -78.6 | -139.9 | 7.1 | 110.9 | G24 A25 V29 I239 N240 F244 | G24-R242 PolarHBondContact O-NH1 2.86Å; G24-R242 PolarHBondContact O-NH2 3.06Å; G24-R242 VanDerWaalsContact O-NH2 3.08Å; A25-R242 PolarHBondContact O-NH1 3.21Å; V29-R242 HydrophobicContact CG2-CB 4.37Å; V29-R242 HydrophobicContact CG2-CG 4.02Å; I239-R242 PolarHBondContact N-O 3.45Å; I239-R242 PolarHBondContact O-N 3.29Å; I239-R242 VanDerWaalsContact O-O 3.12Å; N240-R242 VanDerWaalsContact C-N 3.27Å; N240-R242 PolarHBondContact O-N 3.06Å; R242-F244 HydrophobicContact CB-CD2 4.49Å; R242-F244 HydrophobicContact CB-CE2 3.87Å; R242-F244 HydrophobicContact CG-CD2 4.37Å; R242-F244 HydrophobicContact CG-CE2 3.78Å; R242-F244 HydrophobicContact CG-CZ 4.16Å |
| 243 | A | 91.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 122.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G28 I38 W53 V166 C167 V236 M238 | G28-A243 WeakPolarHBondContact CA-O 3.45Å; G28-A243 PolarHBondContact O-N 3.34Å; I38-A243 HydrophobicContact CD1-CB 3.6Å; W53-A243 HydrophobicContact CH2-CB 3.3Å; W53-A243 HydrophobicContact CZ2-CB 3.75Å; W53-A243 HydrophobicContact CZ3-CB 3.98Å; V166-A243 HydrophobicContact CG2-CB 4.16Å; C167-A243 WeakPolarHBondContact CB-O 3.45Å; C167-A243 PolarHBondContact N-O 3.4Å; V236-A243 HydrophobicContact CG1-CB 3.71Å; M238-A243 HydrophobicContact SD-CB 4Å |
| 244 | F | 92.9 | Very high | 87.3 | Confident | 52 Ų | 52 | 28 Ų | 28 | 23% | 0.228 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 128.8 | 174.9 | -69.5 | -94.1 | 0 | 0 | 0 | 110.8 | C167 V236 C237 I239 R242 F246 | C167-F244 HydrophobicContact CB-CD1 3.57Å; C167-F244 HydrophobicContact CB-CE1 3.76Å; C167-F244 HydrophobicContact CB-CG 4.19Å; C167-F244 CarbonylContact O-C 3.44Å; C167-F244 WeakPolarHBondContact O-CA 3.43Å; V236-F244 CarbonylContact C-O 3.47Å; V236-F244 WeakPolarHBondContact CA-O 3.35Å; C237-F244 PolarHBondContact N-O 3.49Å; C237-F244 PolarHBondContact O-N 2.64Å; I239-F244 HydrophobicContact CB-CD2 3.9Å; I239-F244 HydrophobicContact CB-CE2 4.08Å; I239-F244 HydrophobicContact CD1-CD2 4.39Å; I239-F244 HydrophobicContact CG1-CD2 4.38Å; R242-F244 HydrophobicContact CB-CD2 4.49Å; R242-F244 HydrophobicContact CB-CE2 3.87Å; R242-F244 HydrophobicContact CG-CD2 4.37Å; R242-F244 HydrophobicContact CG-CE2 3.78Å; R242-F244 HydrophobicContact CG-CZ 4.16Å; F244-F246 HydrophobicContact CB-CD2 4.26Å; F244-F246 HydrophobicContact CB-CE2 3.75Å; F244-F246 HydrophobicContact CB-CZ 4.5Å; F244-F246 WeakPolarHBondContact O-CD2 3.47Å |
| 245 | Q | 94.9 | Very high | 85.2 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 120.4 | 171.5 | -172.6 | -175 | -4.2 | 0 | 0 | 110.1 | S69 V166 C167 A169 P234 L235 V236 G247 V272 | S69-Q245 VanDerWaalsContact OG-CD 3.24Å; S69-Q245 PolarHBondContact OG-NE2 3.22Å; S69-Q245 PolarHBondContact OG-OE1 3.03Å; V166-Q245 HydrophobicContact CG1-CB 3.78Å; V166-Q245 HydrophobicContact CG2-CB 4.06Å; C167-Q245 PolarHBondContact O-N 2.9Å; A169-Q245 WeakPolarHBondContact CB-O 3.4Å; A169-Q245 PolarHBondContact N-O 2.8Å; P234-Q245 HydrophobicContact CB-CG 3.93Å; L235-Q245 CarbonylContact O-C 3.45Å; L235-Q245 VanDerWaalsContact O-CA 3.32Å; L235-Q245 WeakPolarHBondContact O-CA 3.32Å; L235-Q245 WeakPolarHBondContact O-CG 3.45Å; V236-Q245 HydrophobicContact CG2-CB 4.28Å; V236-Q245 HydrophobicContact CG2-CG 4.4Å; Q245-G247 WeakPolarHBondContact CG-O 3.19Å; Q245-G247 PolarHBondContact NE2-O 3.29Å; Q245-V272 HydrophobicContact CB-CG1 4.31Å; Q245-V272 HydrophobicContact CG-CG1 3.73Å; Q245-V272 WeakPolarHBondContact O-CG1 3.21Å; Q245-V272 WeakPolarHBondContact O-CG2 3.04Å |
| 246 | F | 93.9 | Very high | 82.7 | Confident | 6 Ų | 6 | 34.6 Ų | 34.6 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -28.7 | 179.3 | -81.1 | -88.8 | 0 | 0 | 0 | 112.9 | A169 A173 V174 P175 L218 L235 C237 I239 F244 H271 V272 | A169-F246 HydrophobicContact CB-CB 4.44Å; A169-F246 HydrophobicContact CB-CD1 3.37Å; A169-F246 HydrophobicContact CB-CD2 4.14Å; A169-F246 HydrophobicContact CB-CE1 3.46Å; A169-F246 VanDerWaalsContact CB-CE1 3.46Å; A169-F246 HydrophobicContact CB-CE2 4.19Å; A169-F246 HydrophobicContact CB-CG 3.73Å; A169-F246 HydrophobicContact CB-CZ 3.86Å; A173-F246 HydrophobicContact CB-CE1 3.94Å; A173-F246 VanDerWaalsContact O-CD1 3.29Å; A173-F246 WeakPolarHBondContact O-CD1 3.41Å; V174-F246 VanDerWaalsContact C-CE1 3.47Å; P175-F246 HydrophobicContact CB-CD1 4.44Å; P175-F246 HydrophobicContact CB-CD2 4.37Å; P175-F246 HydrophobicContact CB-CE1 4.48Å; P175-F246 HydrophobicContact CB-CE2 4.42Å; P175-F246 HydrophobicContact CB-CG 4.38Å; P175-F246 HydrophobicContact CB-CZ 4.48Å; P175-F246 VanDerWaalsContact CD-CD1 3.45Å; P175-F246 HydrophobicContact CG-CB 3.87Å; P175-F246 HydrophobicContact CG-CD1 3.69Å; P175-F246 HydrophobicContact CG-CD2 3.96Å; P175-F246 HydrophobicContact CG-CE1 4.18Å; P175-F246 HydrophobicContact CG-CE2 4.43Å; P175-F246 HydrophobicContact CG-CG 3.56Å; L218-F246 HydrophobicContact CD1-CB 3.65Å; L235-F246 HydrophobicContact CD2-CB 4.33Å; L235-F246 PolarHBondContact O-N 3.17Å; C237-F246 HydrophobicContact CB-CD2 3.83Å; C237-F246 HydrophobicContact CB-CE2 3.91Å; I239-F246 HydrophobicContact CD1-CE2 3.62Å; I239-F246 HydrophobicContact CD1-CZ 3.48Å; I239-F246 VanDerWaalsContact CD1-CZ 3.48Å; F244-F246 HydrophobicContact CB-CD2 4.26Å; F244-F246 HydrophobicContact CB-CE2 3.75Å; F244-F246 HydrophobicContact CB-CZ 4.5Å; F244-F246 WeakPolarHBondContact O-CD2 3.47Å; F246-H271 PolarHBondContact O-CD2 2.85Å; F246-H271 PolarHBondContact O-NE2 3.2Å; F246-V272 PolarHBondContact O-N 2.89Å; F246-V272 VanDerWaalsContact O-N 3.16Å |
| 247 | G | 93.8 | Very high | 80.1 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | -172.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | L235 Q245 G270 | L235-G247 PolarHBondContact N-O 3.2Å; L235-G247 PolarHBondContact O-N 2.76Å; Q245-G247 WeakPolarHBondContact CG-O 3.19Å; Q245-G247 PolarHBondContact NE2-O 3.29Å; G247-G270 CarbonylContact C-O 3Å; G247-G270 WeakPolarHBondContact CA-O 3.39Å |
| 248 | V | 95.2 | Very high | 77.3 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 122.4 | 179.9 | 178.2 | 0 | 0 | 0 | 0 | 108 | L88 T89 A90 V148 L250 Y269 G270 | L88-V248 HydrophobicContact CD2-CG2 4.06Å; L88-V248 HydrophobicContact CG-CG2 3.8Å; T89-V248 VanDerWaalsContact C-CG1 3.45Å; A90-V248 HydrophobicContact CB-CG1 4.28Å; V148-V248 HydrophobicContact CG1-CB 3.96Å; V148-V248 HydrophobicContact CG1-CG2 4.11Å; V248-L250 HydrophobicContact CB-CD2 4.48Å; V248-L250 HydrophobicContact CG1-CD2 4.06Å; V248-L250 WeakPolarHBondContact O-CG 3.2Å; V248-L250 PolarHBondContact O-N 3.17Å; V248-Y269 CarbonylContact O-C 3.49Å; V248-Y269 VanDerWaalsContact O-CA 3.23Å; V248-Y269 WeakPolarHBondContact O-CA 3.26Å; V248-G270 PolarHBondContact N-O 2.65Å; V248-G270 PolarHBondContact O-N 3.16Å |
| 249 | Y | 93.3 | Very high | 74.9 | Confident | 8 Ų | 8 | 40.8 Ų | 40.8 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 125.2 | -179.4 | 175 | -99.6 | 0 | 0 | 0 | 111.9 | T227 S230 G232 G233 S251 Q252 H267 Y269 | T227-Y249 PolarHBondContact OG1-OH 3.02Å; S230-Y249 WeakPolarHBondContact O-CD1 3.41Å; G232-Y249 PolarHBondContact N-O 3.45Å; G233-Y249 PolarHBondContact O-N 3.47Å; Y249-S251 VanDerWaalsContact CE2-C 3.5Å; Y249-S251 WeakPolarHBondContact CE2-O 3.05Å; Y249-Q252 PolarHBondContact OH-N 2.76Å; Y249-H267 HydrophobicContact CD2-CB 3.76Å; Y249-H267 AromaticContact CD2-CG 3.83Å; Y249-H267 AromaticContact CD2-ND1 3.86Å; Y249-H267 HydrophobicContact CE2-CB 3.55Å; Y249-H267 AromaticContact CE2-CD2 3.66Å; Y249-H267 AromaticContact CE2-CG 3.29Å; Y249-H267 AromaticContact CE2-ND1 3.54Å; Y249-Y269 HydrophobicContact CD2-CD1 4.39Å; Y249-Y269 HydrophobicContact CD2-CE1 4.04Å; Y249-Y269 HydrophobicContact CG-CE1 4.31Å |
| 250 | L | 89.9 | Confident | 72.6 | Confident | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | -36.9 | -177.5 | -53.4 | -170.4 | 0 | 0 | 0 | 113.9 | A90 Y137 I144 G147 V148 L231 V248 F268 | A90-L250 HydrophobicContact CB-CD2 3.44Å; A90-L250 VanDerWaalsContact CB-CD2 3.44Å; Y137-L250 HydrophobicContact CD2-CD1 3.77Å; Y137-L250 HydrophobicContact CE2-CD1 3.63Å; I144-L250 HydrophobicContact CG2-CD1 4.25Å; G147-L250 VanDerWaalsContact O-CD2 3.26Å; G147-L250 WeakPolarHBondContact O-CD2 3.37Å; V148-L250 HydrophobicContact CG1-CD2 4.43Å; L231-L250 VanDerWaalsContact CD1-O 3.23Å; L231-L250 WeakPolarHBondContact CD1-O 3.37Å; V248-L250 HydrophobicContact CB-CD2 4.48Å; V248-L250 HydrophobicContact CG1-CD2 4.06Å; V248-L250 WeakPolarHBondContact O-CG 3.2Å; V248-L250 PolarHBondContact O-N 3.17Å; L250-F268 HydrophobicContact CB-CD1 4.2Å; L250-F268 HydrophobicContact CD1-CD1 4.32Å; L250-F268 HydrophobicContact CD1-CE1 4.08Å; L250-F268 HydrophobicContact CG-CD1 4.42Å; L250-F268 PolarHBondContact N-O 3.41Å |
| 251 | S | 84.7 | Confident | 70.8 | Confident | 7 Ų | 7 | 42.4 Ų | 42.4 | 5% | 0.049 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 150.8 | -177.5 | -170.6 | 0 | 0 | 0 | 0 | 112.5 | N143 Y249 F268 | N143-S251 WeakPolarHBondContact CB-OG 3.48Å; N143-S251 PolarHBondContact ND2-OG 2.84Å; Y249-S251 VanDerWaalsContact CE2-C 3.5Å; Y249-S251 WeakPolarHBondContact CE2-O 3.05Å; S251-F268 WeakPolarHBondContact O-CB 3.39Å; S251-F268 PolarHBondContact O-N 2.98Å |
| 252 | Q | 78.4 | Confident | 69.1 | Low | 28 Ų | 28 | 46.2 Ų | 46.2 | 13% | 0.131 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 138.1 | 157.3 | -161.7 | 177.9 | -52.1 | 0 | 0 | 109.3 | A225 T227 Y249 I254 A265 L266 | A225-Q252 VanDerWaalsContact C-NE2 3.34Å; A225-Q252 VanDerWaalsContact CA-NE2 3.33Å; A225-Q252 PolarHBondContact O-NE2 3.28Å; A225-Q252 PolarHBondContact O-OE1 3.35Å; T227-Q252 PolarHBondContact OG1-OE1 3.25Å; Y249-Q252 PolarHBondContact OH-N 2.76Å; Q252-I254 HydrophobicContact CG-CG1 4.48Å; Q252-A265 HydrophobicContact CG-CB 3.72Å; Q252-L266 CarbonylContact C-O 3.51Å; Q252-L266 WeakPolarHBondContact CA-O 3.43Å |
| 253 | L | 72.2 | Confident | 67.2 | Low | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 116.5 | 166.8 | -60.1 | 174.2 | 0 | 0 | 0 | 106.7 | N141 I144 F209 L212 L266 F268 | N141-L253 WeakPolarHBondContact ND2-CD2 3.13Å; I144-L253 HydrophobicContact CD1-CD2 3.89Å; F209-L253 HydrophobicContact CD2-CD1 4.36Å; F209-L253 HydrophobicContact CE2-CB 4.28Å; F209-L253 HydrophobicContact CE2-CD1 4.41Å; F209-L253 HydrophobicContact CZ-CB 4.09Å; L212-L253 HydrophobicContact CD1-CD1 3.45Å; L212-L253 VanDerWaalsContact CD1-CD1 3.45Å; L212-L253 HydrophobicContact CD1-CD2 4.03Å; L212-L253 HydrophobicContact CD1-CG 4.39Å; L253-L266 HydrophobicContact CB-CB 4.02Å; L253-L266 HydrophobicContact CD1-CB 4.42Å; L253-L266 PolarHBondContact N-O 3.19Å; L253-L266 PolarHBondContact O-N 2.87Å; L253-F268 HydrophobicContact CD1-CB 4.08Å; L253-F268 HydrophobicContact CD1-CD2 4.39Å; L253-F268 HydrophobicContact CG-CB 4.12Å |
| 254 | I | 59.1 | Low | 65.3 | Low | 108 Ų | 108 | 52.3 Ų | 52.3 | 55% | 0.554 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 110.2 | -175.7 | -54.5 | 177.8 | 0 | 0 | 0 | 109.2 | Q252 K256 | Q252-I254 HydrophobicContact CG-CG1 4.48Å; I254-K256 HydrophobicContact CG2-CG 4.2Å; I254-K256 PolarHBondContact O-N 2.04Å |
| 255 | T | 50.5 | Low | 64 | Low | 23 Ų | 23 | 49.8 Ų | 49.8 | 14% | 0.141 | 24% | 0.243 | C | C | . | . | trans | -80.8 | 96.2 | 171.2 | 47.6 | 0 | 0 | 0 | 0 | 109.7 | F209 K257 Q264 L266 | F209-T255 HydrophobicContact CE2-CG2 4.26Å; T255-K257 VanDerWaalsContact C-N 3.26Å; T255-K257 PolarHBondContact O-N 3.4Å; T255-Q264 PolarHBondContact OG1-O 2.7Å; T255-L266 HydrophobicContact CG2-CD1 3.81Å | ||
| 256 | K | 43.1 | Very low | 63 | Low | 116 Ų | 116 | 49.8 Ų | 49.8 | 50% | 0.504 | 24% | 0.243 | S | C | . | . | trans | -76.5 | 70.8 | 177.7 | -94.3 | 165.1 | 151.3 | -95 | 0 | 111.7 | I254 A258 Q572 | I254-K256 HydrophobicContact CG2-CG 4.2Å; I254-K256 PolarHBondContact O-N 2.04Å; K256-A258 PolarHBondContact O-N 2.91Å; K256-Q572 PolarHBondContact O-NE2 2.91Å | ||
| 257 | K | 38 | Very low | 62.5 | Low | 41 Ų | 41 | 49.5 Ų | 49.5 | 18% | 0.178 | 24% | 0.242 | C | C | . | . | trans | -56.2 | 135.3 | 163.3 | -81.7 | 174.5 | 166.9 | -110.4 | 0 | 109.5 | T255 L259 Q572 S975 D1086 | T255-K257 VanDerWaalsContact C-N 3.26Å; T255-K257 PolarHBondContact O-N 3.4Å; K257-L259 VanDerWaalsContact C-N 3.34Å; K257-Q572 PolarHBondContact O-NE2 2.89Å; K257-S975 WeakPolarHBondContact CE-OG 3.45Å; K257-S975 PolarHBondContact NZ-OG 2.91Å; K257-D1086 WeakPolarHBondContact CD-OD2 3.25Å; K257-D1086 IonicContact NZ-OD1 3.65Å; K257-D1086 PolarHBondContact NZ-OD1 3.13Å; K257-D1086 IonicContact NZ-OD2 3.96Å; K257-D1086 PolarHBondContact NZ-OD2 2.99Å | ||
| 258 | A | 33.1 | Very low | 62.3 | Low | 41 Ų | 41 | 49.5 Ų | 49.5 | 34% | 0.339 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -87 | -4.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | K256 V570 | K256-A258 PolarHBondContact O-N 2.91Å; A258-V570 HydrophobicContact CB-CG1 4.38Å |
| 259 | L | 37.5 | Very low | 62.1 | Low | 84 Ų | 84 | 49.5 Ų | 49.5 | 44% | 0.44 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -138.3 | 4.5 | -164 | -76.1 | 162.5 | 0 | 0 | 0 | 115.2 | K257 V610 | K257-L259 VanDerWaalsContact C-N 3.34Å; L259-V610 HydrophobicContact CD2-CG1 4.05Å |
| 260 | S | 37.7 | Very low | 62 | Low | 39 Ų | 39 | 49.1 Ų | 49.1 | 27% | 0.273 | 24% | 0.24 | S | C | . | . | trans | -114.8 | 136 | -178.6 | -172.2 | 0 | 0 | 0 | 0 | 112.7 | H262 | S260-H262 PolarHBondContact O-N 2.93Å; S260-H262 PolarHBondContact OG-N 3.04Å | ||
| 261 | F | 41.2 | Very low | 62.1 | Low | 202 Ų | 202 | 49 Ų | 49 | 89% | 0.886 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -71.7 | -12.7 | 174.7 | -72.8 | -86.9 | 0 | 0 | 0 | 113.2 | ||
| 262 | H | 44.3 | Very low | 62.5 | Low | 144 Ų | 144 | 48.7 Ų | 48.7 | 67% | 0.667 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -105.7 | 110.6 | 179.8 | -63.6 | -76.5 | 0 | 0 | 0 | 111.5 | S260 Q264 | S260-H262 PolarHBondContact O-N 2.93Å; S260-H262 PolarHBondContact OG-N 3.04Å; H262-Q264 PolarHBondContact O-N 3.07Å |
| 263 | K | 46.1 | Very low | 63 | Low | 170 Ų | 170 | 48.3 Ų | 48.3 | 74% | 0.739 | 24% | 0.237 | S | C | * | . | trans | -69.5 | 98.3 | 171.8 | -70 | 178.4 | -175.7 | 169 | 0 | 110.1 | A225 | A225-K263 HydrophobicContact CB-CB 4.16Å; A225-K263 HydrophobicContact CB-CD 4.45Å | ||
| 264 | Q | 51.1 | Low | 63.6 | Low | 21 Ų | 21 | 48.5 Ų | 48.5 | 10% | 0.098 | 24% | 0.238 | C | C | . | . | trans | -75.4 | 139.2 | 169.7 | -71.7 | 155.1 | 17.5 | 0 | 0 | 110 | T255 H262 Y974 | T255-Q264 PolarHBondContact OG1-O 2.7Å; H262-Q264 PolarHBondContact O-N 3.07Å; Q264-Y974 VanDerWaalsContact CD-CE1 3.49Å; Q264-Y974 HydrophobicContact CG-CD1 4.38Å; Q264-Y974 HydrophobicContact CG-CE1 4.25Å; Q264-Y974 VanDerWaalsContact NE2-CE1 3.26Å | ||
| 265 | A | 65.1 | Low | 64.9 | Low | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 132.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | H222 A225 Q252 | H222-A265 HydrophobicContact CB-CB 4.3Å; H222-A265 PolarHBondContact N-O 3.19Å; H222-A265 PolarHBondContact O-N 2.52Å; H222-A265 VanDerWaalsContact O-N 3.12Å; H222-A265 VanDerWaalsContact O-O 3.12Å; A225-A265 HydrophobicContact CB-CB 4.41Å; Q252-A265 HydrophobicContact CG-CB 3.72Å |
| 266 | L | 75 | Confident | 66.4 | Low | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 143.1 | 160.7 | -84.7 | 83.4 | 0 | 0 | 0 | 108.5 | V199 F206 C219 S220 Q252 L253 T255 | V199-L266 HydrophobicContact CG2-CD2 3.96Å; F206-L266 HydrophobicContact CD2-CD2 4.08Å; F206-L266 HydrophobicContact CE1-CD2 4.26Å; F206-L266 HydrophobicContact CE2-CD2 3.14Å; F206-L266 HydrophobicContact CZ-CD2 3.21Å; C219-L266 HydrophobicContact CB-CD2 4.5Å; S220-L266 CarbonylContact O-C 3.57Å; S220-L266 VanDerWaalsContact O-CA 3.28Å; S220-L266 WeakPolarHBondContact O-CA 3.42Å; Q252-L266 CarbonylContact C-O 3.51Å; Q252-L266 WeakPolarHBondContact CA-O 3.43Å; L253-L266 HydrophobicContact CB-CB 4.02Å; L253-L266 HydrophobicContact CD1-CB 4.42Å; L253-L266 PolarHBondContact N-O 3.19Å; L253-L266 PolarHBondContact O-N 2.87Å; T255-L266 HydrophobicContact CG2-CD1 3.81Å |
| 267 | H | 84.2 | Confident | 68 | Low | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 134.8 | 169.9 | -79 | -170.6 | 0 | 0 | 0 | 109.1 | C219 S220 H222 T227 Y249 Y269 | C219-H267 WeakPolarHBondContact CA-O 3.44Å; S220-H267 PolarHBondContact N-O 2.98Å; S220-H267 VanDerWaalsContact N-O 3.1Å; S220-H267 PolarHBondContact O-N 3.09Å; H222-H267 AromaticContact CD2-CD2 3.73Å; H222-H267 AromaticContact CD2-CE1 3.52Å; H222-H267 AromaticContact CD2-CG 3.24Å; H222-H267 AromaticContact CD2-ND1 3.12Å; H222-H267 PolarHBondContact CD2-ND1 2.92Å; H222-H267 AromaticContact CD2-NE2 3.91Å; H222-H267 AromaticContact CE1-CE1 3.37Å; H222-H267 PolarHBondContact CE1-CE1 2.77Å; H222-H267 AromaticContact CE1-ND1 3.22Å; H222-H267 PolarHBondContact CE1-ND1 2.59Å; H222-H267 AromaticContact CG-CD2 3.83Å; H222-H267 AromaticContact CG-CE1 3.32Å; H222-H267 AromaticContact CG-CG 3.75Å; H222-H267 AromaticContact CG-ND1 3.46Å; H222-H267 AromaticContact CG-NE2 3.59Å; H222-H267 AromaticContact ND1-CE1 3.23Å; H222-H267 PolarHBondContact ND1-CE1 3.25Å; H222-H267 AromaticContact ND1-ND1 3.52Å; H222-H267 AromaticContact ND1-NE2 3.9Å; H222-H267 AromaticContact NE2-CE1 3.56Å; H222-H267 AromaticContact NE2-CG 3.52Å; H222-H267 AromaticContact NE2-ND1 2.96Å; H222-H267 PolarHBondContact NE2-ND1 2.98Å; T227-H267 WeakPolarHBondContact CB-NE2 2.96Å; T227-H267 VanDerWaalsContact CG2-NE2 3.34Å; T227-H267 WeakPolarHBondContact CG2-NE2 2.99Å; T227-H267 PolarHBondContact OG1-CE1 3.03Å; T227-H267 PolarHBondContact OG1-NE2 2.54Å; Y249-H267 HydrophobicContact CD2-CB 3.76Å; Y249-H267 AromaticContact CD2-CG 3.83Å; Y249-H267 AromaticContact CD2-ND1 3.86Å; Y249-H267 HydrophobicContact CE2-CB 3.55Å; Y249-H267 AromaticContact CE2-CD2 3.66Å; Y249-H267 AromaticContact CE2-CG 3.29Å; Y249-H267 AromaticContact CE2-ND1 3.54Å; H267-Y269 HydrophobicContact CB-CD2 4.49Å; H267-Y269 HydrophobicContact CB-CE2 3.55Å; H267-Y269 WeakPolarHBondContact CB-OH 3.23Å; H267-Y269 WeakPolarHBondContact O-CE2 3.22Å |
| 268 | F | 87.9 | Confident | 69.2 | Low | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 131.5 | 174.8 | -178.2 | -86 | 0 | 0 | 0 | 110.6 | Y137 I144 C204 L212 T215 L250 S251 L253 | Y137-F268 HydrophobicContact CD2-CE1 4.26Å; Y137-F268 HydrophobicContact CE2-CE1 4.07Å; Y137-F268 HydrophobicContact CE2-CZ 4.47Å; I144-F268 HydrophobicContact CB-CD1 4.48Å; I144-F268 HydrophobicContact CD1-CB 3.86Å; I144-F268 HydrophobicContact CD1-CD1 3.64Å; I144-F268 HydrophobicContact CD1-CD2 3.97Å; I144-F268 HydrophobicContact CD1-CE1 4.2Å; I144-F268 HydrophobicContact CD1-CE2 4.48Å; I144-F268 HydrophobicContact CD1-CG 3.51Å; I144-F268 HydrophobicContact CG1-CB 4.49Å; I144-F268 HydrophobicContact CG1-CD1 3.81Å; I144-F268 HydrophobicContact CG1-CE1 4.34Å; I144-F268 HydrophobicContact CG1-CG 4.17Å; I144-F268 HydrophobicContact CG2-CD1 3.84Å; I144-F268 HydrophobicContact CG2-CE1 3.47Å; I144-F268 VanDerWaalsContact CG2-CE1 3.47Å; I144-F268 HydrophobicContact CG2-CZ 4.02Å; C204-F268 HydrophobicContact CB-CD2 4.3Å; C204-F268 HydrophobicContact CB-CE2 4.23Å; C204-F268 WeakPolarHBondContact SG-CD2 3.33Å; C204-F268 VanDerWaalsContact SG-CE2 3.55Å; L212-F268 HydrophobicContact CB-CE2 4.1Å; L212-F268 HydrophobicContact CD1-CD2 3.83Å; L212-F268 HydrophobicContact CD1-CE2 4.11Å; L212-F268 HydrophobicContact CD2-CD2 4.1Å; L212-F268 HydrophobicContact CD2-CE2 3.8Å; L212-F268 HydrophobicContact CD2-CZ 4.37Å; L212-F268 HydrophobicContact CG-CD2 4.41Å; L212-F268 HydrophobicContact CG-CE2 4.22Å; T215-F268 HydrophobicContact CG2-CZ 4.34Å; T215-F268 WeakPolarHBondContact OG1-CZ 3.29Å; L250-F268 HydrophobicContact CB-CD1 4.2Å; L250-F268 HydrophobicContact CD1-CD1 4.32Å; L250-F268 HydrophobicContact CD1-CE1 4.08Å; L250-F268 HydrophobicContact CG-CD1 4.42Å; L250-F268 PolarHBondContact N-O 3.41Å; S251-F268 WeakPolarHBondContact O-CB 3.39Å; S251-F268 PolarHBondContact O-N 2.98Å; L253-F268 HydrophobicContact CD1-CB 4.08Å; L253-F268 HydrophobicContact CD1-CD2 4.39Å; L253-F268 HydrophobicContact CG-CB 4.12Å |
| 269 | Y | 91.6 | Very high | 70.6 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 127.7 | 179.2 | -53.4 | -96 | 0 | 0 | 0 | 110.3 | V183 G217 L218 S220 H222 L235 V248 Y249 H267 | V183-Y269 HydrophobicContact CB-CE1 4.12Å; V183-Y269 HydrophobicContact CG2-CE1 3.74Å; G217-Y269 CarbonylContact C-O 3.55Å; G217-Y269 VanDerWaalsContact CA-O 3.26Å; G217-Y269 WeakPolarHBondContact CA-O 3.49Å; L218-Y269 PolarHBondContact N-O 2.91Å; L218-Y269 WeakPolarHBondContact O-CD2 3.48Å; L218-Y269 PolarHBondContact O-N 2.92Å; S220-Y269 VanDerWaalsContact OG-CE2 3.25Å; S220-Y269 WeakPolarHBondContact OG-CE2 3.13Å; S220-Y269 PolarHBondContact OG-OH 3.35Å; H222-Y269 PolarHBondContact NE2-OH 3.47Å; L235-Y269 HydrophobicContact CB-CD1 3.52Å; L235-Y269 HydrophobicContact CB-CE1 3.79Å; L235-Y269 HydrophobicContact CB-CG 4.1Å; L235-Y269 HydrophobicContact CD1-CE1 4.22Å; L235-Y269 HydrophobicContact CD2-CD1 4.17Å; L235-Y269 HydrophobicContact CD2-CD2 4.08Å; L235-Y269 HydrophobicContact CD2-CG 3.9Å; L235-Y269 HydrophobicContact CG-CD1 4.3Å; L235-Y269 HydrophobicContact CG-CE1 4.4Å; V248-Y269 CarbonylContact O-C 3.49Å; V248-Y269 VanDerWaalsContact O-CA 3.23Å; V248-Y269 WeakPolarHBondContact O-CA 3.26Å; Y249-Y269 HydrophobicContact CD2-CD1 4.39Å; Y249-Y269 HydrophobicContact CD2-CE1 4.04Å; Y249-Y269 HydrophobicContact CG-CE1 4.31Å; H267-Y269 HydrophobicContact CB-CD2 4.49Å; H267-Y269 HydrophobicContact CB-CE2 3.55Å; H267-Y269 WeakPolarHBondContact CB-OH 3.23Å; H267-Y269 WeakPolarHBondContact O-CE2 3.22Å |
| 270 | G | 91 | Very high | 71 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 131.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y137 G247 V248 | Y137-G270 VanDerWaalsContact CE2-CA 3.49Å; Y137-G270 VanDerWaalsContact OH-C 3.3Å; Y137-G270 WeakPolarHBondContact OH-CA 3.37Å; G247-G270 CarbonylContact C-O 3Å; G247-G270 WeakPolarHBondContact CA-O 3.39Å; V248-G270 PolarHBondContact N-O 2.65Å; V248-G270 PolarHBondContact O-N 3.16Å |
| 271 | H | 92.3 | Very high | 71.5 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 140.8 | 178.9 | -166.5 | -91.2 | 0 | 0 | 0 | 111.5 | Y137 G170 Y172 A173 F246 T273 T274 | Y137-H271 PolarHBondContact OH-N 3.35Å; G170-H271 PolarHBondContact O-CE1 3.15Å; Y172-H271 WeakPolarHBondContact CA-CE1 3.17Å; Y172-H271 HydrophobicContact CD1-CB 4.23Å; Y172-H271 AromaticContact CD1-CG 3.99Å; Y172-H271 AromaticContact CD1-ND1 3.79Å; Y172-H271 HydrophobicContact CE1-CB 4.41Å; Y172-H271 PolarHBondContact N-CE1 2.97Å; A173-H271 PolarHBondContact O-NE2 2.99Å; F246-H271 PolarHBondContact O-CD2 2.85Å; F246-H271 PolarHBondContact O-NE2 3.2Å; H271-T273 VanDerWaalsContact C-N 3.31Å; H271-T273 PolarHBondContact CE1-OG1 3.2Å; H271-T273 WeakPolarHBondContact ND1-CB 3.49Å; H271-T273 PolarHBondContact ND1-N 3.03Å; H271-T273 PolarHBondContact ND1-OG1 3.5Å; H271-T273 PolarHBondContact O-N 3.41Å; H271-T274 WeakPolarHBondContact O-CB 3.38Å; H271-T274 PolarHBondContact O-N 2.91Å; H271-T274 VanDerWaalsContact O-N 3.15Å; H271-T274 PolarHBondContact O-OG1 2.81Å |
| 272 | V | 92.5 | Very high | 72.1 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -59.6 | -38.1 | -175.4 | -67.6 | 0 | 0 | 0 | 0 | 113.5 | L88 L168 A169 Q245 F246 T274 A275 F276 | L88-V272 HydrophobicContact CD2-CB 3.98Å; L88-V272 HydrophobicContact CD2-CG1 3.65Å; L168-V272 HydrophobicContact CB-CG2 4.49Å; L168-V272 HydrophobicContact CD2-CB 4Å; L168-V272 HydrophobicContact CD2-CG1 4.01Å; L168-V272 HydrophobicContact CD2-CG2 4.31Å; A169-V272 HydrophobicContact CB-CG2 4.33Å; Q245-V272 HydrophobicContact CB-CG1 4.31Å; Q245-V272 HydrophobicContact CG-CG1 3.73Å; Q245-V272 WeakPolarHBondContact O-CG1 3.21Å; Q245-V272 WeakPolarHBondContact O-CG2 3.04Å; F246-V272 PolarHBondContact O-N 2.89Å; F246-V272 VanDerWaalsContact O-N 3.16Å; V272-T274 PolarHBondContact O-N 3.03Å; V272-T274 VanDerWaalsContact O-N 3.15Å; V272-A275 PolarHBondContact O-N 3.2Å; V272-A275 VanDerWaalsContact O-N 3.12Å; V272-F276 WeakPolarHBondContact O-CD2 3.47Å |
| 273 | T | 88.5 | Confident | 72.2 | Confident | 19 Ų | 19 | 41.6 Ų | 41.6 | 12% | 0.117 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -54.4 | -33.7 | 178.2 | -49 | 0 | 0 | 0 | 0 | 112.8 | E171 Y172 H271 A275 F276 E277 | E171-T273 WeakPolarHBondContact CA-OG1 3.42Å; E171-T273 HydrophobicContact CB-CG2 4.4Å; E171-T273 HydrophobicContact CG-CG2 4.05Å; Y172-T273 HydrophobicContact CD2-CG2 4.12Å; Y172-T273 HydrophobicContact CE2-CG2 3.82Å; Y172-T273 PolarHBondContact N-OG1 3.19Å; H271-T273 VanDerWaalsContact C-N 3.31Å; H271-T273 PolarHBondContact CE1-OG1 3.2Å; H271-T273 WeakPolarHBondContact ND1-CB 3.49Å; H271-T273 PolarHBondContact ND1-N 3.03Å; H271-T273 PolarHBondContact ND1-OG1 3.5Å; H271-T273 PolarHBondContact O-N 3.41Å; T273-A275 PolarHBondContact O-N 3.31Å; T273-F276 PolarHBondContact O-N 2.75Å; T273-E277 PolarHBondContact O-N 2.77Å |
| 274 | T | 86 | Confident | 72.4 | Confident | 9 Ų | 9 | 38 Ų | 38 | 6% | 0.055 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -55.4 | -31.6 | -178.8 | -57.9 | 0 | 0 | 0 | 0 | 111.7 | M135 Y137 V148 H271 V272 F276 | M135-T274 HydrophobicContact CB-CG2 4.08Å; M135-T274 WeakPolarHBondContact CB-O 3.27Å; M135-T274 WeakPolarHBondContact CG-O 3.12Å; Y137-T274 HydrophobicContact CD1-CG2 4.36Å; Y137-T274 HydrophobicContact CE1-CG2 3.62Å; Y137-T274 WeakPolarHBondContact OH-CB 2.93Å; Y137-T274 PolarHBondContact OH-OG1 2.71Å; V148-T274 HydrophobicContact CG2-CG2 3.82Å; H271-T274 WeakPolarHBondContact O-CB 3.38Å; H271-T274 PolarHBondContact O-N 2.91Å; H271-T274 VanDerWaalsContact O-N 3.15Å; H271-T274 PolarHBondContact O-OG1 2.81Å; V272-T274 PolarHBondContact O-N 3.03Å; V272-T274 VanDerWaalsContact O-N 3.15Å; T274-F276 VanDerWaalsContact C-N 3.28Å; T274-F276 PolarHBondContact O-N 3.29Å |
| 275 | A | 85.3 | Confident | 73.1 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -70.4 | -19.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L88 V148 V272 T273 | L88-A275 HydrophobicContact CD1-CB 3.52Å; V148-A275 HydrophobicContact CG2-CB 3.78Å; V272-A275 PolarHBondContact O-N 3.2Å; V272-A275 VanDerWaalsContact O-N 3.12Å; T273-A275 PolarHBondContact O-N 3.31Å |
| 276 | F | 83.8 | Confident | 73.6 | Confident | 62 Ų | 62 | 42.5 Ų | 42.5 | 27% | 0.272 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -109 | -2.2 | -175.4 | -55.2 | -79.8 | 0 | 0 | 0 | 113.1 | I71 L150 L168 V272 T273 T274 T278 | I71-F276 HydrophobicContact CD1-CE1 4.24Å; I71-F276 HydrophobicContact CD1-CZ 3.59Å; L150-F276 HydrophobicContact CD1-CE1 4.43Å; L150-F276 HydrophobicContact CD1-CZ 4.42Å; L150-F276 HydrophobicContact CD2-CE1 4.09Å; L168-F276 HydrophobicContact CD1-CD2 4.44Å; L168-F276 HydrophobicContact CD1-CE2 3.53Å; L168-F276 HydrophobicContact CD1-CZ 3.59Å; V272-F276 WeakPolarHBondContact O-CD2 3.47Å; T273-F276 PolarHBondContact O-N 2.75Å; T274-F276 VanDerWaalsContact C-N 3.28Å; T274-F276 PolarHBondContact O-N 3.29Å; F276-T278 PolarHBondContact O-N 2.75Å |
| 277 | E | 75.1 | Confident | 74 | Confident | 47 Ų | 47 | 44.5 Ų | 44.5 | 22% | 0.22 | 26% | 0.263 | C | S | . | . | trans | -62.4 | 128 | -177.2 | -161.4 | 170.6 | -110.6 | 0 | 0 | 111.4 | R133 Y172 T273 N279 T282 | R133-E277 PolarHBondContact NH2-O 3.09Å; Y172-E277 PolarHBondContact OH-OE1 2.72Å; T273-E277 PolarHBondContact O-N 2.77Å; E277-N279 HydrophobicContact CG-CB 4.31Å; E277-T282 WeakPolarHBondContact OE2-CB 3.3Å; E277-T282 WeakPolarHBondContact OE2-CG2 3.47Å; E277-T282 PolarHBondContact OE2-OG1 2.88Å | ||
| 278 | T | 64.5 | Low | 74.1 | Confident | 120 Ų | 120 | 48.2 Ų | 48.2 | 74% | 0.736 | 28% | 0.28 | S | S | * | . | trans | -112.1 | -4.7 | -176.5 | 50.4 | 0 | 0 | 0 | 0 | 113.5 | F276 S280 | F276-T278 PolarHBondContact O-N 2.75Å; T278-S280 PolarHBondContact O-N 2.94Å | ||
| 279 | N | 61.8 | Low | 74 | Confident | 83 Ų | 83 | 49.5 Ų | 49.5 | 44% | 0.444 | 29% | 0.287 | S | S | . | . | trans | -55.7 | 128.1 | -176.2 | -173.6 | -16.7 | 0 | 0 | 0 | 111 | E277 L281 T282 A283 | E277-N279 HydrophobicContact CG-CB 4.31Å; N279-L281 PolarHBondContact O-N 2.99Å; N279-L281 VanDerWaalsContact O-N 3.13Å; N279-L281 PolarHBondContact OD1-N 3.13Å; N279-T282 PolarHBondContact O-N 3.08Å; N279-A283 VanDerWaalsContact O-CB 3.26Å; N279-A283 WeakPolarHBondContact O-CB 3.18Å; N279-A283 PolarHBondContact O-N 2.89Å | ||
| 280 | S | 45.8 | Very low | 73.5 | Confident | 99 Ų | 99 | 51.7 Ų | 51.7 | 69% | 0.692 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -58 | -29.4 | -173.1 | 52.9 | 0 | 0 | 0 | 0 | 113.7 | T278 | T278-S280 PolarHBondContact O-N 2.94Å |
| 281 | L | 48.1 | Very low | 72.5 | Confident | 141 Ų | 141 | 55.9 Ų | 55.9 | 74% | 0.738 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -71.2 | -36.4 | 176.9 | -69.7 | 165.2 | 0 | 0 | 0 | 112.7 | N279 S284 | N279-L281 PolarHBondContact O-N 2.99Å; N279-L281 VanDerWaalsContact O-N 3.13Å; N279-L281 PolarHBondContact OD1-N 3.13Å; L281-S284 PolarHBondContact O-OG 2.88Å; L281-S284 VanDerWaalsContact O-OG 3.13Å |
| 282 | T | 53.9 | Low | 70.8 | Confident | 60 Ų | 60 | 59.9 Ų | 59.9 | 37% | 0.368 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -89.3 | -29.5 | 175.8 | -1.6 | 0 | 0 | 0 | 0 | 113.1 | E277 N279 S284 N285 | E277-T282 WeakPolarHBondContact OE2-CB 3.3Å; E277-T282 WeakPolarHBondContact OE2-CG2 3.47Å; E277-T282 PolarHBondContact OE2-OG1 2.88Å; N279-T282 PolarHBondContact O-N 3.08Å; T282-S284 PolarHBondContact O-N 3.11Å; T282-S284 VanDerWaalsContact O-N 3.14Å; T282-N285 PolarHBondContact O-N 2.63Å |
| 283 | A | 46.4 | Very low | 68.4 | Low | 40 Ų | 40 | 62.1 Ų | 62.1 | 33% | 0.331 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.1 | -27.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | N279 N285 V286 | N279-A283 VanDerWaalsContact O-CB 3.26Å; N279-A283 WeakPolarHBondContact O-CB 3.18Å; N279-A283 PolarHBondContact O-N 2.89Å; A283-N285 PolarHBondContact O-N 2.55Å; A283-V286 VanDerWaalsContact O-CB 3.31Å; A283-V286 WeakPolarHBondContact O-CB 3.37Å; A283-V286 VanDerWaalsContact O-CG2 3.3Å; A283-V286 WeakPolarHBondContact O-CG2 3.4Å; A283-V286 PolarHBondContact O-N 3.29Å; A283-V286 VanDerWaalsContact O-N 3.15Å |
| 284 | S | 49.8 | Very low | 65.8 | Low | 95 Ų | 95 | 64.9 Ų | 64.9 | 66% | 0.664 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -18.2 | 175.3 | 56.4 | 0 | 0 | 0 | 0 | 114.4 | L281 T282 | L281-S284 PolarHBondContact O-OG 2.88Å; L281-S284 VanDerWaalsContact O-OG 3.13Å; T282-S284 PolarHBondContact O-N 3.11Å; T282-S284 VanDerWaalsContact O-N 3.14Å |
| 285 | N | 66.1 | Low | 63.4 | Low | 73 Ų | 73 | 73.6 Ų | 73.6 | 39% | 0.39 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 1.4 | 177.9 | -66 | -65.4 | 0 | 0 | 0 | 114.2 | P136 N138 T282 A283 I287 | P136-N285 VanDerWaalsContact CD-O 3.29Å; P136-N285 WeakPolarHBondContact CD-O 2.99Å; P136-N285 HydrophobicContact CG-CB 4.19Å; P136-N285 VanDerWaalsContact CG-O 3.3Å; P136-N285 WeakPolarHBondContact CG-O 3.23Å; N138-N285 PolarHBondContact ND2-OD1 3.23Å; T282-N285 PolarHBondContact O-N 2.63Å; A283-N285 PolarHBondContact O-N 2.55Å; N285-I287 PolarHBondContact O-N 2.7Å |
| 286 | V | 76.8 | Confident | 60.8 | Low | 42 Ų | 42 | 79 Ų | 79 | 26% | 0.255 | 49% | 0.488 | S | S | . | . | trans | -68.2 | 124.1 | -176.3 | 166.3 | 0 | 0 | 0 | 0 | 111.4 | R133 M135 A283 | R133-V286 HydrophobicContact CG-CG1 4.3Å; M135-V286 HydrophobicContact CE-CB 3.83Å; M135-V286 HydrophobicContact CE-CG1 3.34Å; M135-V286 HydrophobicContact CE-CG2 3.54Å; A283-V286 VanDerWaalsContact O-CB 3.31Å; A283-V286 WeakPolarHBondContact O-CB 3.37Å; A283-V286 VanDerWaalsContact O-CG2 3.3Å; A283-V286 WeakPolarHBondContact O-CG2 3.4Å; A283-V286 PolarHBondContact O-N 3.29Å; A283-V286 VanDerWaalsContact O-N 3.15Å | ||
| 287 | I | 82.1 | Confident | 58 | Low | 43 Ų | 43 | 85.9 Ų | 85.9 | 22% | 0.221 | 52% | 0.518 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 101.5 | 176.6 | -59.1 | 175.6 | 0 | 0 | 0 | 108.7 | W102 I134 N285 L289 | W102-I287 HydrophobicContact CD2-CG2 4.26Å; W102-I287 HydrophobicContact CG-CG2 4.44Å; W102-I287 HydrophobicContact CH2-CD1 4.21Å; W102-I287 HydrophobicContact CZ2-CD1 3.34Å; W102-I287 HydrophobicContact CZ2-CG2 4.38Å; I134-I287 HydrophobicContact CB-CB 4.16Å; I134-I287 HydrophobicContact CD1-CG2 4.33Å; I134-I287 PolarHBondContact N-O 3.28Å; I134-I287 PolarHBondContact O-N 2.93Å; N285-I287 PolarHBondContact O-N 2.7Å; I287-L289 HydrophobicContact CG2-CD2 4.14Å; I287-L289 HydrophobicContact CG2-CG 4.36Å |
| 288 | Q | 86.7 | Confident | 55.8 | Low | 77 Ų | 77 | 89.3 Ų | 89.3 | 36% | 0.36 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 125.7 | 177.4 | -172.2 | 66.6 | 24.3 | 0 | 0 | 110.8 | R133 G290 | R133-Q288 VanDerWaalsContact CB-OE1 3.27Å; Q288-G290 PolarHBondContact NE2-O 2.88Å |
| 289 | L | 84.9 | Confident | 54.4 | Low | 28 Ų | 28 | 89.4 Ų | 89.4 | 15% | 0.147 | 55% | 0.55 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -120 | 117.2 | 176.7 | -52.7 | 173.8 | 0 | 0 | 0 | 108.8 | W102 P105 A131 I132 I134 I287 | W102-L289 HydrophobicContact CB-CD1 3.98Å; W102-L289 HydrophobicContact CB-CD2 3.86Å; W102-L289 HydrophobicContact CE3-CD1 4.45Å; W102-L289 HydrophobicContact CG-CD1 4.4Å; W102-L289 HydrophobicContact CG-CD2 4.18Å; P105-L289 HydrophobicContact CG-CB 3.9Å; P105-L289 WeakPolarHBondContact CG-O 3.34Å; A131-L289 CarbonylContact C-O 3.56Å; A131-L289 WeakPolarHBondContact CA-O 3.33Å; I132-L289 HydrophobicContact CB-CB 4.23Å; I132-L289 HydrophobicContact CB-CD1 4.36Å; I132-L289 PolarHBondContact N-O 3.34Å; I132-L289 PolarHBondContact O-N 3.4Å; I134-L289 HydrophobicContact CD1-CD1 3.66Å; I134-L289 HydrophobicContact CD1-CG 4.33Å; I287-L289 HydrophobicContact CG2-CD2 4.14Å; I287-L289 HydrophobicContact CG2-CG 4.36Å |
| 290 | G | 82.7 | Confident | 53.1 | Low | 45 Ų | 45 | 91.6 Ų | 91.6 | 46% | 0.464 | 57% | 0.566 | S | S | . | * | S | Bend | trans | 79 | 174.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q288 | Q288-G290 PolarHBondContact NE2-O 2.88Š|
| 291 | S | 68.4 | Low | 52.6 | Low | 88 Ų | 88 | 92.1 Ų | 92.1 | 62% | 0.615 | 57% | 0.57 | S | S | * | * | trans | -111 | 129.1 | -168.8 | -179.5 | 0 | 0 | 0 | 0 | 113.7 | R130 | R130-S291 PolarHBondContact NE-O 2.98Š| ||
| 292 | T | 58 | Low | 51.7 | Low | 86 Ų | 86 | 91 Ų | 91 | 53% | 0.528 | 57% | 0.573 | S | S | . | * | trans | -91.1 | 98.2 | 168 | 48.1 | 0 | 0 | 0 | 0 | 108.7 | A131 A294 | A131-T292 HydrophobicContact CB-CG2 3.94Å; T292-A294 PolarHBondContact O-N 3.07Å | ||
| 293 | G | 42.1 | Very low | 50.8 | Low | 47 Ų | 47 | 92.7 Ų | 92.7 | 49% | 0.485 | 59% | 0.588 | S | S | . | * | trans | -90.5 | 100.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R130 | R130-G293 PolarHBondContact NH2-O 2.83Š| ||
| 294 | A | 33.7 | Very low | 50.1 | Low | 78 Ų | 78 | 96.5 Ų | 96.5 | 65% | 0.645 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -179.5 | 109.3 | 145.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | T292 | T292-A294 PolarHBondContact O-N 3.07Š|
| 295 | H | 34.8 | Very low | 49.1 | Very low | 191 Ų | 191 | 97.4 Ų | 97.4 | 88% | 0.884 | 62% | 0.619 | S | S | * | * | S | Bend | trans | 56.6 | 126.2 | 174.8 | -48.5 | -85 | 0 | 0 | 0 | 116.5 | ||
| 296 | S | 30.8 | Very low | 47.5 | Very low | 114 Ų | 114 | 99 Ų | 99 | 80% | 0.797 | 64% | 0.642 | S | S | * | * | cis | -147.8 | 154.6 | 11.4 | -66.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 297 | K | 26.6 | Very low | 45.4 | Very low | 206 Ų | 206 | 102.5 Ų | 102.5 | 90% | 0.896 | 67% | 0.668 | S | S | * | * | trans | -32.2 | 126.4 | -175.3 | -61.5 | 170.1 | 176.9 | 171.4 | 0 | 118.4 | ||||
| 298 | P | 28.4 | Very low | 42.9 | Very low | 119 Ų | 119 | 108.6 Ų | 108.6 | 77% | 0.773 | 69% | 0.693 | S | S | * | * | trans | -98.6 | 132.9 | 155.5 | 34.7 | -28.1 | 0 | 0 | 0 | 112 | V300 | P298-V300 PolarHBondContact O-N 2.99Š| ||
| 299 | S | 35.4 | Very low | 40.4 | Very low | 123 Ų | 123 | 111.4 Ų | 111.4 | 86% | 0.86 | 72% | 0.718 | S | S | * | * | trans | -87.8 | 97 | 170.1 | 51.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 300 | V | 34.1 | Very low | 38 | Very low | 129 Ų | 129 | 118.1 Ų | 118.1 | 78% | 0.782 | 75% | 0.748 | S | S | * | * | trans | -28.4 | 134.4 | 146.2 | -178.5 | 0 | 0 | 0 | 0 | 110.3 | P298 | P298-V300 PolarHBondContact O-N 2.99Š| ||
| 301 | S | 35 | Very low | 35.8 | Very low | 110 Ų | 110 | 125 Ų | 125 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | -156.4 | 152.2 | 71.4 | 51.9 | 0 | 0 | 0 | 0 | 117 | |||||
| 302 | S | 30.1 | Very low | 34 | Very low | 116 Ų | 116 | 124.1 Ų | 124.1 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | trans | -116.7 | 116.6 | 171 | 55.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 303 | S | 33.8 | Very low | 32.7 | Very low | 96 Ų | 96 | 126.8 Ų | 126.8 | 67% | 0.671 | 79% | 0.794 | S | S | * | * | trans | -157.8 | 108.3 | 160.7 | 46.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 304 | S | 31.3 | Very low | 32.6 | Very low | 120 Ų | 120 | 131 Ų | 131 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | 73.3 | 41 | 68.2 | 81 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 305 | S | 30.5 | Very low | 32.8 | Very low | 115 Ų | 115 | 135.5 Ų | 135.5 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -172.4 | 118.8 | 152.3 | 49 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 306 | A | 32 | Very low | 33.2 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 88% | 0.876 | 81% | 0.813 | S | S | * | * | trans | -151.6 | 78.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 307 | S | 31.9 | Very low | 33.7 | Very low | 115 Ų | 115 | 132.6 Ų | 132.6 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -79.3 | 118 | 160.3 | 46.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 308 | K | 30.7 | Very low | 34.9 | Very low | 172 Ų | 172 | 128.4 Ų | 128.4 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | 39.1 | 129.6 | 162.5 | -65.3 | -178.3 | 175.3 | -176.9 | 0 | 119.5 | ||||
| 309 | P | 33.5 | Very low | 35.8 | Very low | 135 Ų | 135 | 128.4 Ų | 128.4 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 131.9 | 135.5 | -1.4 | 21.3 | 0 | 0 | 0 | 109.1 | ||
| 310 | Q | 33.9 | Very low | 36.1 | Very low | 169 Ų | 169 | 128.8 Ų | 128.8 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 140.1 | 169.6 | -159.2 | 166.8 | -43.8 | 0 | 0 | 108.6 | ||
| 311 | E | 36.2 | Very low | 36.5 | Very low | 191 Ų | 191 | 125.7 Ų | 125.7 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 131.4 | -178 | -170.2 | 168.3 | -154.4 | 0 | 0 | 109.9 | ||
| 312 | G | 31.3 | Very low | 37 | Very low | 69 Ų | 69 | 129.9 Ų | 129.9 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | trans | 49.7 | 116.5 | 159.1 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 313 | C | 31.8 | Very low | 37.8 | Very low | 141 Ų | 141 | 134.9 Ų | 134.9 | 95% | 0.953 | 81% | 0.808 | S | S | * | * | trans | -161.4 | 149.9 | 137.3 | -105.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 314 | V | 39.8 | Very low | 38.6 | Very low | 135 Ų | 135 | 136 Ų | 136 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -90.8 | 159 | -176.3 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 315 | H | 38.2 | Very low | 39.6 | Very low | 174 Ų | 174 | 136 Ų | 136 | 81% | 0.806 | 81% | 0.811 | S | S | * | * | trans | -42.8 | 152.5 | 178.6 | -69.7 | -78.9 | 0 | 0 | 0 | 116.4 | ||||
| 316 | P | 41.3 | Very low | 40.5 | Very low | 121 Ų | 121 | 136.4 Ų | 136.4 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | -134.4 | 174.2 | 84 | 12.5 | 12 | 0 | 0 | 0 | 116.3 | |||||
| 317 | P | 43.1 | Very low | 41 | Very low | 122 Ų | 122 | 135 Ų | 135 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | trans | -89.1 | 176.2 | -172.2 | 37.1 | -36.7 | 0 | 0 | 0 | 115.7 | ||||
| 318 | P | 50.3 | Low | 41.4 | Very low | 119 Ų | 119 | 141.2 Ų | 141.2 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | -109.9 | 175.1 | -154.5 | 42.2 | -36.8 | 0 | 0 | 0 | 116.2 | ||||
| 319 | P | 47.1 | Very low | 42.3 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | trans | -113.5 | 157.7 | 151.8 | 34.9 | -24.1 | 0 | 0 | 0 | 113.4 | ||||
| 320 | P | 43 | Very low | 42.6 | Very low | 131 Ų | 131 | 137.6 Ų | 137.6 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | trans | -99 | 156 | -172.3 | 38 | -34.5 | 0 | 0 | 0 | 114.2 | ||||
| 321 | G | 42.5 | Very low | 43.6 | Very low | 65 Ų | 65 | 135.3 Ų | 135.3 | 67% | 0.67 | 81% | 0.808 | S | S | * | * | trans | 166.7 | 114.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 322 | H | 44.6 | Very low | 44.6 | Very low | 197 Ų | 197 | 131.9 Ų | 131.9 | 91% | 0.912 | 80% | 0.803 | S | S | * | * | trans | 66.1 | 122.3 | 153.3 | -61.3 | -64.1 | 0 | 0 | 0 | 123.5 | ||||
| 323 | R | 48 | Very low | 45.4 | Very low | 222 Ų | 222 | 134.4 Ų | 134.4 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | trans | -73.7 | 163.9 | 171.5 | -70.7 | 174.9 | 171.4 | 172.3 | -2.8 | 113.7 | ||||
| 324 | P | 49.7 | Very low | 45.7 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | -118.9 | 174.1 | 118.1 | 30.8 | -23.3 | 0 | 0 | 0 | 113.4 | |||||
| 325 | P | 53 | Low | 46.2 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | trans | -103.7 | 176.9 | -138.9 | 3.1 | 18.6 | 0 | 0 | 0 | 118.6 | ||||
| 326 | P | 49.7 | Very low | 46.4 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | trans | -116.8 | 169.7 | -169.1 | 42.6 | -32.4 | 0 | 0 | 0 | 117 | ||||
| 327 | G | 41.4 | Very low | 46.6 | Very low | 77 Ų | 77 | 136.9 Ų | 136.9 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | 139.2 | 136.7 | 167 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 328 | R | 41.4 | Very low | 46.8 | Very low | 246 Ų | 246 | 137.4 Ų | 137.4 | 93% | 0.928 | 81% | 0.811 | S | S | * | * | cis | -142.7 | 178.4 | 12.5 | -117.6 | -161 | 167.2 | 176.7 | -2.8 | 110.1 | ||||
| 329 | P | 48.2 | Very low | 46.3 | Very low | 121 Ų | 121 | 142.5 Ų | 142.5 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | trans | -114.8 | 174.1 | -138.9 | 19.7 | 4.5 | 0 | 0 | 0 | 116.6 | ||||
| 330 | S | 40.9 | Very low | 46.3 | Very low | 109 Ų | 109 | 142 Ų | 142 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 150.7 | -178 | 52 | 0 | 0 | 0 | 0 | 115 | ||
| 331 | P | 54.3 | Low | 46.3 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 166.5 | 170.5 | -12 | 29 | 0 | 0 | 0 | 114.3 | ||
| 332 | P | 56.8 | Low | 46.6 | Very low | 119 Ų | 119 | 147.2 Ų | 147.2 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -89 | 167.8 | -165.2 | 35.9 | -37.3 | 0 | 0 | 0 | 115.7 | ||
| 333 | P | 48.4 | Very low | 46.8 | Very low | 123 Ų | 123 | 144.5 Ų | 144.5 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 148.1 | -174.6 | 35.7 | -34.8 | 0 | 0 | 0 | 114.4 | ||
| 334 | C | 37 | Very low | 46.7 | Very low | 135 Ų | 135 | 139.9 Ų | 139.9 | 91% | 0.912 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 136.1 | 173.7 | -63.5 | 0 | 0 | 0 | 0 | 113.2 | ||
| 335 | V | 50.9 | Low | 46.8 | Very low | 138 Ų | 138 | 139.6 Ų | 139.6 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 159.4 | -175.5 | 177.3 | 0 | 0 | 0 | 0 | 112.5 | ||
| 336 | R | 41.9 | Very low | 46.5 | Very low | 233 Ų | 233 | 140 Ų | 140 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | trans | -120.8 | 152.7 | 163.8 | -93.8 | -169.5 | -171.8 | -166.8 | 3.4 | 112.6 | ||||
| 337 | P | 47.1 | Very low | 45.8 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | trans | -85 | 167.4 | -166.1 | -5.2 | 25.1 | 0 | 0 | 0 | 114.4 | ||||
| 338 | P | 46.8 | Very low | 46.2 | Very low | 133 Ų | 133 | 139.8 Ų | 139.8 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | -80.9 | 171.7 | -170.6 | 34 | -37 | 0 | 0 | 0 | 114.7 | ||||
| 339 | R | 39.6 | Very low | 46.4 | Very low | 226 Ų | 226 | 133.7 Ų | 133.7 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -117.1 | 147.6 | 172.8 | 179 | 179.5 | -80.7 | -108.7 | 7.3 | 109.7 | ||||
| 340 | P | 46.1 | Very low | 46.3 | Very low | 108 Ų | 108 | 136.5 Ų | 136.5 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -72 | 167.6 | -167.9 | -17.2 | 32.9 | 0 | 0 | 0 | 115.1 | ||
| 341 | P | 44.7 | Very low | 46.6 | Very low | 118 Ų | 118 | 137.6 Ų | 137.6 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 151.4 | -169.2 | 33.5 | -35.6 | 0 | 0 | 0 | 113.7 | ||
| 342 | H | 47.5 | Very low | 46.2 | Very low | 187 Ų | 187 | 137.9 Ų | 137.9 | 87% | 0.866 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 132.6 | 163.2 | -92.3 | -83.3 | 0 | 0 | 0 | 110.1 | ||
| 343 | V | 48.3 | Very low | 46.3 | Very low | 139 Ų | 139 | 137.3 Ų | 137.3 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 140 | 175.5 | 175.8 | 0 | 0 | 0 | 0 | 110.2 | ||
| 344 | V | 46 | Very low | 46.5 | Very low | 125 Ų | 125 | 136.9 Ų | 136.9 | 76% | 0.758 | 80% | 0.798 | S | S | * | * | trans | -104.6 | 130.3 | 179.5 | 175.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 345 | P | 52.2 | Low | 46.9 | Very low | 113 Ų | 113 | 141.6 Ų | 141.6 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | -78.3 | 142.9 | 165.6 | -12.2 | 29.3 | 0 | 0 | 0 | 111.7 | ||||
| 346 | P | 46.8 | Very low | 47.4 | Very low | 130 Ų | 130 | 140.4 Ų | 140.4 | 84% | 0.844 | 79% | 0.792 | S | S | * | * | trans | -88.2 | 171.7 | -171.8 | 35.9 | -36.8 | 0 | 0 | 0 | 115 | ||||
| 347 | G | 34.8 | Very low | 47.6 | Very low | 70 Ų | 70 | 134.4 Ų | 134.4 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | -82.8 | -171.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 348 | P | 50.6 | Low | 47.9 | Very low | 124 Ų | 124 | 137.2 Ų | 137.2 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | trans | -104 | -179.7 | -152.5 | 41.3 | -39.1 | 0 | 0 | 0 | 115.6 | ||||
| 349 | P | 44.9 | Very low | 47.8 | Very low | 118 Ų | 118 | 137.6 Ų | 137.6 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | trans | -137.3 | 128.5 | 142.9 | 34.9 | -19.4 | 0 | 0 | 0 | 116.3 | ||||
| 350 | H | 46.1 | Very low | 48.5 | Very low | 180 Ų | 180 | 132.9 Ų | 132.9 | 83% | 0.833 | 78% | 0.781 | S | S | * | * | trans | 29.7 | 148.5 | 133.3 | -76.6 | -75 | 0 | 0 | 0 | 126.2 | ||||
| 351 | V | 47.6 | Very low | 49.1 | Very low | 132 Ų | 132 | 132.8 Ų | 132.8 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | trans | 82.7 | 131.9 | 148.5 | 163.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 352 | V | 47 | Very low | 49.4 | Very low | 127 Ų | 127 | 133.2 Ų | 133.2 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | cis | -161.6 | 167 | -2.9 | 112.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 353 | P | 58.4 | Low | 49.5 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | trans | -101.1 | -147.7 | -160.9 | 44.8 | -42.5 | 0 | 0 | 0 | 113.7 | ||||
| 354 | P | 52.8 | Low | 50 | Low | 115 Ų | 115 | 131.3 Ų | 131.3 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | cis | -143 | 178.1 | -8.1 | 43.3 | -24.5 | 0 | 0 | 0 | 118.3 | ||||
| 355 | R | 45.4 | Very low | 50.3 | Low | 233 Ų | 233 | 131 Ų | 131 | 88% | 0.879 | 77% | 0.766 | S | S | * | * | 170.4 | 140.8 | 115.9 | -172.1 | 166.2 | -89.9 | -108.8 | 1.4 | 112.1 | |||||
| 356 | P | 60.4 | Low | 50.4 | Low | 114 Ų | 114 | 133.7 Ų | 133.7 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | trans | -106.1 | 179.6 | -170.2 | 43.7 | -36 | 0 | 0 | 0 | 113.3 | ||||
| 357 | P | 46.4 | Very low | 50.8 | Low | 106 Ų | 106 | 133.8 Ų | 133.8 | 69% | 0.688 | 77% | 0.767 | S | S | * | * | -151.5 | -179.8 | 90.1 | 35.3 | -13.5 | 0 | 0 | 0 | 117.5 | |||||
| 358 | H | 52.7 | Low | 52 | Low | 177 Ų | 177 | 136.4 Ų | 136.4 | 82% | 0.819 | 77% | 0.769 | S | S | * | * | trans | 79.8 | 103.1 | 167.1 | -61.8 | -62.2 | 0 | 0 | 0 | 120.5 | ||||
| 359 | V | 45.1 | Very low | 52.3 | Low | 141 Ų | 141 | 135.3 Ų | 135.3 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | trans | -77.8 | 127.9 | 168.6 | 176.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 360 | V | 54.2 | Low | 52.9 | Low | 127 Ų | 127 | 135.5 Ų | 135.5 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | -112.8 | 132.5 | 162.5 | 178 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 361 | P | 58.9 | Low | 52.9 | Low | 106 Ų | 106 | 138.1 Ų | 138.1 | 69% | 0.688 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 146.5 | -177.1 | -22.2 | 33.1 | 0 | 0 | 0 | 112.8 | R363 | P361-R363 PolarHBondContact O-N 2.97Š|
| 362 | P | 51.3 | Low | 53 | Low | 126 Ų | 126 | 136.7 Ų | 136.7 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 126.2 | 178.6 | 27.3 | -33.4 | 0 | 0 | 0 | 110.7 | ||
| 363 | R | 49.2 | Very low | 52.9 | Low | 185 Ų | 185 | 135.9 Ų | 135.9 | 70% | 0.698 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 133.1 | 172.3 | 177.2 | 179.6 | -75.9 | -120.2 | 0.9 | 109.5 | P361 H366 | P361-R363 PolarHBondContact O-N 2.97Å; R363-H366 WeakPolarHBondContact CD-NE2 3.4Å; R363-H366 PolarHBondContact NH1-NE2 3.42Å |
| 364 | P | 59.4 | Low | 52.5 | Low | 101 Ų | 101 | 136.8 Ų | 136.8 | 66% | 0.656 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -59 | 152.7 | 178.6 | 24.7 | -34.6 | 0 | 0 | 0 | 111.1 | H366 | P364-H366 PolarHBondContact O-N 3.22Š|
| 365 | P | 52.7 | Low | 52.2 | Low | 118 Ų | 118 | 140.1 Ų | 140.1 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 125.9 | -176.3 | 24.8 | -34 | 0 | 0 | 0 | 109.8 | V367 | P365-V367 PolarHBondContact O-N 2.68Š|
| 366 | H | 53.3 | Low | 52.8 | Low | 170 Ų | 170 | 140.4 Ų | 140.4 | 79% | 0.787 | 77% | 0.769 | S | S | * | * | trans | -60.1 | 105.9 | 174 | -89.6 | -75.3 | 0 | 0 | 0 | 108.8 | R363 P364 V368 | R363-H366 WeakPolarHBondContact CD-NE2 3.4Å; R363-H366 PolarHBondContact NH1-NE2 3.42Å; P364-H366 PolarHBondContact O-N 3.22Å; H366-V368 VanDerWaalsContact C-N 3.33Å; H366-V368 PolarHBondContact O-N 2.75Å | ||
| 367 | V | 56.5 | Low | 53.1 | Low | 132 Ų | 132 | 141.3 Ų | 141.3 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | trans | -62.3 | 98.4 | 169.7 | 178.1 | 0 | 0 | 0 | 0 | 106.8 | P365 P369 | P365-V367 PolarHBondContact O-N 2.68Å; V367-P369 VanDerWaalsContact O-CD 3.25Å; V367-P369 WeakPolarHBondContact O-CD 3.11Å | ||
| 368 | V | 59.3 | Low | 54.8 | Low | 125 Ų | 125 | 140.3 Ų | 140.3 | 76% | 0.758 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 118.1 | 176.1 | 179.5 | 0 | 0 | 0 | 0 | 107.2 | H366 | H366-V368 VanDerWaalsContact C-N 3.33Å; H366-V368 PolarHBondContact O-N 2.75Å |
| 369 | P | 57.9 | Low | 56.5 | Low | 101 Ų | 101 | 132 Ų | 132 | 66% | 0.656 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 144.2 | 178.5 | -23.3 | 33.9 | 0 | 0 | 0 | 109.9 | V367 R371 | V367-P369 VanDerWaalsContact O-CD 3.25Å; V367-P369 WeakPolarHBondContact O-CD 3.11Å; P369-R371 PolarHBondContact O-N 3.39Å |
| 370 | P | 56.4 | Low | 58.8 | Low | 122 Ų | 122 | 128.6 Ų | 128.6 | 79% | 0.792 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 129 | 177.1 | 23.5 | -33 | 0 | 0 | 0 | 109.3 | ||
| 371 | R | 46.6 | Very low | 60.7 | Low | 235 Ų | 235 | 122.6 Ų | 122.6 | 89% | 0.887 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -49 | 127.2 | -179.7 | 175.8 | 179.3 | -74.1 | -131.2 | -1.5 | 108.9 | P369 | P369-R371 PolarHBondContact O-N 3.39Š|
| 372 | P | 48.9 | Very low | 62.3 | Low | 102 Ų | 102 | 117.6 Ų | 117.6 | 66% | 0.662 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 139.6 | -179.2 | -25.3 | 32.4 | 0 | 0 | 0 | 110.8 | ||
| 373 | P | 46.6 | Very low | 64.3 | Low | 111 Ų | 111 | 112.8 Ų | 112.8 | 72% | 0.721 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 143.3 | 175.3 | 24.7 | -33.5 | 0 | 0 | 0 | 109.4 | Q375 | P373-Q375 PolarHBondContact O-N 2.93Š|
| 374 | P | 49.1 | Very low | 66.2 | Low | 126 Ų | 126 | 104 Ų | 104 | 82% | 0.818 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 119.7 | -175.3 | 21.9 | -32.8 | 0 | 0 | 0 | 110.2 | R376 | P374-R376 PolarHBondContact O-N 3.24Š|
| 375 | Q | 46.3 | Very low | 67.5 | Low | 185 Ų | 185 | 104.7 Ų | 104.7 | 86% | 0.864 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 123.5 | -176.3 | -72.1 | 179.8 | -18.2 | 0 | 0 | 110 | P373 Q377 | P373-Q375 PolarHBondContact O-N 2.93Å; Q375-Q377 PolarHBondContact O-N 3.45Å |
| 376 | R | 57.3 | Low | 69.2 | Low | 239 Ų | 239 | 99.5 Ų | 99.5 | 90% | 0.902 | 51% | 0.514 | S | S | * | . | trans | -65.9 | 107.9 | 175.1 | -71.2 | 179.5 | 176.2 | 173.7 | -0.1 | 108 | P374 D378 | P374-R376 PolarHBondContact O-N 3.24Å; R376-D378 PolarHBondContact O-N 2.66Å | ||
| 377 | Q | 66.7 | Low | 70.7 | Confident | 132 Ų | 132 | 93.9 Ų | 93.9 | 62% | 0.617 | 49% | 0.488 | S | S | * | . | trans | -67.5 | 119.9 | 171.5 | -72.9 | -179.2 | -19.1 | 0 | 0 | 109.6 | Q375 | Q375-Q377 PolarHBondContact O-N 3.45Š| ||
| 378 | D | 82 | Confident | 72 | Confident | 86 Ų | 86 | 91 Ų | 91 | 46% | 0.46 | 49% | 0.485 | S | S | . | . | trans | -64.2 | 140.7 | 173.7 | -70.2 | -42.5 | 0 | 0 | 0 | 111.3 | R376 Y380 T386 A433 | R376-D378 PolarHBondContact O-N 2.66Å; D378-Y380 HydrophobicContact CB-CD2 4.5Å; D378-Y380 HydrophobicContact CB-CE2 3.64Å; D378-T386 WeakPolarHBondContact O-CG2 3.49Å; D378-A433 HydrophobicContact CB-CB 4.2Å | ||
| 379 | V | 88.1 | Confident | 72.9 | Confident | 1 Ų | 1 | 87.2 Ų | 87.2 | 1% | 0.006 | 46% | 0.457 | C | S | . | . | trans | -105.5 | 117.3 | 179.4 | -177.6 | 0 | 0 | 0 | 0 | 108.5 | T386 A433 V434 N435 V511 | V379-T386 HydrophobicContact CB-CG2 4.42Å; V379-T386 HydrophobicContact CG2-CG2 4.08Å; V379-A433 CarbonylContact O-C 3.5Å; V379-A433 WeakPolarHBondContact O-CA 3.42Å; V379-V434 WeakPolarHBondContact CG1-O 3.37Å; V379-V434 PolarHBondContact O-N 3.41Å; V379-N435 WeakPolarHBondContact CG2-OD1 3.28Å; V379-V511 HydrophobicContact CG1-CB 4.33Å; V379-V511 HydrophobicContact CG1-CG1 3.56Å | ||
| 380 | Y | 93.5 | Very high | 74.1 | Confident | 70 Ų | 70 | 85.3 Ų | 85.3 | 28% | 0.275 | 45% | 0.446 | S | S | . | . | trans | -100.2 | 156.2 | 175.2 | -63.1 | -81.5 | 0 | 0 | 0 | 111.1 | D378 R431 | D378-Y380 HydrophobicContact CB-CD2 4.5Å; D378-Y380 HydrophobicContact CB-CE2 3.64Å; Y380-R431 WeakPolarHBondContact CE1-O 3.46Å | ||
| 381 | C | 94.7 | Very high | 75.3 | Confident | 2 Ų | 2 | 79.8 Ų | 79.8 | 1% | 0.014 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | 150.6 | 172.2 | 66.6 | 0 | 0 | 0 | 0 | 110.6 | D383 H426 P512 C514 | C381-D383 PolarHBondContact O-N 3.31Å; C381-H426 HydrophobicContact CB-CB 3.75Å; C381-P512 CarbonylContact C-O 3.49Å; C381-P512 VanDerWaalsContact CA-O 3.27Å; C381-P512 WeakPolarHBondContact CA-O 3.19Å; C381-P512 HydrophobicContact CB-CG 4.4Å; C381-C514 HydrophobicContact CB-CB 4.08Å; C381-C514 WeakPolarHBondContact CB-SG 3.31Å; C381-C514 PolarHBondContact O-SG 3.3Å; C381-C514 WeakPolarHBondContact SG-CA 3.33Å; C381-C514 WeakPolarHBondContact SG-CB 3.26Å; C381-C514 CovalentContact SG-SG 2.05Å; C381-C514 PolarHBondContact SG-SG 2.84Å |
| 382 | G | 93.3 | Very high | 76.5 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62 | 15.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115 | P512 A592 | G382-P512 PolarHBondContact N-O 3Å; G382-A592 WeakPolarHBondContact CA-O 3.2Å; G382-A592 WeakPolarHBondContact O-CB 3.15Å; G382-A592 PolarHBondContact O-N 3.44Å |
| 383 | D | 92.1 | Very high | 77.7 | Confident | 26 Ų | 26 | 68.2 Ų | 68.2 | 14% | 0.139 | 36% | 0.358 | C | S | . | . | trans | -125.6 | 136 | -179.4 | -177.7 | 6.6 | 0 | 0 | 0 | 110.3 | C381 I385 | C381-D383 PolarHBondContact O-N 3.31Å; D383-I385 WeakPolarHBondContact OD1-CB 3.45Å; D383-I385 VanDerWaalsContact OD1-CG1 3.23Å; D383-I385 WeakPolarHBondContact OD1-CG1 3.43Å; D383-I385 PolarHBondContact OD1-N 3.2Å | ||
| 384 | T | 90.5 | Very high | 79 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | trans | -114.9 | 2.1 | -177.2 | 59.3 | 0 | 0 | 0 | 0 | 113.7 | T386 F387 R389 S390 L391 Y394 P405 W406 | T384-T386 PolarHBondContact O-N 3.06Å; T384-T386 VanDerWaalsContact O-N 3.07Å; T384-F387 PolarHBondContact O-N 3.2Å; T384-R389 CarbonylContact C-O 3.42Å; T384-R389 WeakPolarHBondContact CB-O 3.35Å; T384-R389 PolarHBondContact OG1-O 2.8Å; T384-S390 VanDerWaalsContact OG1-C 3.3Å; T384-L391 HydrophobicContact CG2-CD2 3.81Å; T384-L391 PolarHBondContact OG1-N 2.66Å; T384-Y394 HydrophobicContact CG2-CD2 4.31Å; T384-Y394 HydrophobicContact CG2-CE2 3.65Å; T384-P405 HydrophobicContact CG2-CG 3.71Å; T384-W406 HydrophobicContact CG2-CZ3 4.4Å | ||
| 385 | I | 86.8 | Confident | 79.8 | Confident | 115 Ų | 115 | 58 Ų | 58 | 59% | 0.59 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -51.9 | -34.8 | 178.1 | -73.7 | 168 | 0 | 0 | 0 | 111.2 | D383 F387 G388 R389 | D383-I385 WeakPolarHBondContact OD1-CB 3.45Å; D383-I385 VanDerWaalsContact OD1-CG1 3.23Å; D383-I385 WeakPolarHBondContact OD1-CG1 3.43Å; D383-I385 PolarHBondContact OD1-N 3.2Å; I385-F387 PolarHBondContact O-N 3.11Å; I385-G388 WeakPolarHBondContact O-CA 3.27Å; I385-G388 PolarHBondContact O-N 3.04Å; I385-R389 PolarHBondContact N-O 2.89Å |
| 386 | T | 86.4 | Confident | 80 | Confident | 9 Ų | 9 | 51.5 Ų | 51.5 | 6% | 0.055 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -59.9 | -29.5 | 176.7 | 66.9 | 0 | 0 | 0 | 0 | 112.9 | D378 V379 T384 G388 R506 | D378-T386 WeakPolarHBondContact O-CG2 3.49Å; V379-T386 HydrophobicContact CB-CG2 4.42Å; V379-T386 HydrophobicContact CG2-CG2 4.08Å; T384-T386 PolarHBondContact O-N 3.06Å; T384-T386 VanDerWaalsContact O-N 3.07Å; T386-G388 PolarHBondContact O-N 2.76Å; T386-R506 VanDerWaalsContact CB-NH1 3.27Å; T386-R506 PolarHBondContact O-NH1 3Å; T386-R506 PolarHBondContact O-NH2 3.21Å; T386-R506 PolarHBondContact OG1-NH1 3.46Å |
| 387 | F | 86.1 | Confident | 79.1 | Confident | 53 Ų | 53 | 40.4 Ų | 40.4 | 23% | 0.232 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -82.8 | 9.3 | 171.4 | -63.5 | -62.2 | 0 | 0 | 0 | 113.7 | T384 I385 R389 P405 R506 V511 | T384-F387 PolarHBondContact O-N 3.2Å; I385-F387 PolarHBondContact O-N 3.11Å; F387-R389 VanDerWaalsContact C-N 3.31Å; F387-P405 HydrophobicContact CE2-CB 3.8Å; F387-P405 HydrophobicContact CE2-CG 4.13Å; F387-R506 HydrophobicContact CE1-CG 4.26Å; F387-R506 HydrophobicContact CZ-CG 4.46Å; F387-V511 HydrophobicContact CE2-CB 4.42Å; F387-V511 HydrophobicContact CE2-CG1 3.7Å; F387-V511 HydrophobicContact CE2-CG2 4.05Å; F387-V511 HydrophobicContact CZ-CG1 4.03Å |
| 388 | G | 83.2 | Confident | 77.7 | Confident | 71 Ų | 71 | 36.9 Ų | 36.9 | 73% | 0.732 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 25 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | I385 T386 | I385-G388 WeakPolarHBondContact O-CA 3.27Å; I385-G388 PolarHBondContact O-N 3.04Å; T386-G388 PolarHBondContact O-N 2.76Å |
| 389 | R | 79.4 | Confident | 76 | Confident | 46 Ų | 46 | 36.9 Ų | 36.9 | 17% | 0.174 | 21% | 0.208 | C | C | . | . | trans | -139.6 | 136.9 | -166.2 | -75.5 | -179 | 67.7 | 163.8 | -8.6 | 112.6 | T384 I385 F387 S393 Y394 N399 D402 | T384-R389 CarbonylContact C-O 3.42Å; T384-R389 WeakPolarHBondContact CB-O 3.35Å; T384-R389 PolarHBondContact OG1-O 2.8Å; I385-R389 PolarHBondContact N-O 2.89Å; F387-R389 VanDerWaalsContact C-N 3.31Å; R389-S393 WeakPolarHBondContact CB-OG 3.49Å; R389-S393 PolarHBondContact NE-OG 3.46Å; R389-S393 PolarHBondContact NH2-O 2.95Å; R389-S393 VanDerWaalsContact NH2-O 3.08Å; R389-Y394 HydrophobicContact CB-CE2 3.99Å; R389-N399 PolarHBondContact NH2-O 3.29Å; R389-D402 IonicContact CZ-OD2 3.38Å; R389-D402 IonicContact NH1-OD2 3.16Å; R389-D402 PolarHBondContact NH1-OD2 3.37Å; R389-D402 IonicContact NH2-OD2 2.8Å | ||
| 390 | S | 82.5 | Confident | 74.5 | Confident | 61 Ų | 61 | 37.3 Ų | 37.3 | 43% | 0.427 | 21% | 0.212 | S | C | . | . | trans | -74.5 | 155.2 | 168.5 | 62.9 | 0 | 0 | 0 | 0 | 111.3 | T384 Q392 S393 | T384-S390 VanDerWaalsContact OG1-C 3.3Å; S390-Q392 PolarHBondContact O-N 2.79Å; S390-S393 WeakPolarHBondContact O-CB 3.46Å; S390-S393 PolarHBondContact O-N 3.2Å; S390-S393 PolarHBondContact O-OG 3.34Å; S390-S393 PolarHBondContact OG-N 2.79Å | ||
| 391 | L | 82.3 | Confident | 72.8 | Confident | 5 Ų | 5 | 35.6 Ų | 35.6 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -55.4 | -41.9 | 174.1 | -74.4 | 175 | 0 | 0 | 0 | 112.1 | T384 S393 Y394 W406 I587 G590 A592 | T384-L391 HydrophobicContact CG2-CD2 3.81Å; T384-L391 PolarHBondContact OG1-N 2.66Å; L391-S393 PolarHBondContact O-N 2.79Å; L391-Y394 PolarHBondContact O-N 3.17Å; L391-Y394 VanDerWaalsContact O-N 3.13Å; L391-W406 HydrophobicContact CD2-CH2 3.67Å; L391-W406 HydrophobicContact CD2-CZ3 4.23Å; L391-I587 HydrophobicContact CB-CD1 3.92Å; L391-I587 HydrophobicContact CD1-CG1 4.3Å; L391-I587 HydrophobicContact CD1-CG2 4.02Å; L391-G590 WeakPolarHBondContact CD1-O 3.19Å; L391-A592 HydrophobicContact CD1-CB 3.89Å; L391-A592 HydrophobicContact CD2-CB 3.89Å |
| 392 | Q | 70.5 | Confident | 71.9 | Confident | 83 Ų | 83 | 38.5 Ų | 38.5 | 39% | 0.388 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -57.7 | -34.6 | 177.4 | -67.7 | 76.7 | 7.9 | 0 | 0 | 110.6 | S390 Y394 V395 V396 | S390-Q392 PolarHBondContact O-N 2.79Å; Q392-Y394 PolarHBondContact O-N 3.23Å; Q392-V395 CarbonylContact O-C 3.51Å; Q392-V395 WeakPolarHBondContact O-CG2 3.36Å; Q392-V395 PolarHBondContact O-N 3.33Å; Q392-V396 HydrophobicContact CB-CB 4.46Å; Q392-V396 HydrophobicContact CB-CG2 4.03Å; Q392-V396 WeakPolarHBondContact O-CA 3.39Å; Q392-V396 WeakPolarHBondContact O-CB 2.97Å; Q392-V396 VanDerWaalsContact O-CG2 3.31Å; Q392-V396 WeakPolarHBondContact O-CG2 3.16Å; Q392-V396 PolarHBondContact O-N 3.1Å |
| 393 | S | 73.4 | Confident | 71.6 | Confident | 12 Ų | 12 | 39 Ų | 39 | 8% | 0.084 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -64.1 | -9.1 | 179.6 | 79.3 | 0 | 0 | 0 | 0 | 115.8 | R389 S390 L391 N399 A400 | R389-S393 WeakPolarHBondContact CB-OG 3.49Å; R389-S393 PolarHBondContact NE-OG 3.46Å; R389-S393 PolarHBondContact NH2-O 2.95Å; R389-S393 VanDerWaalsContact NH2-O 3.08Å; S390-S393 WeakPolarHBondContact O-CB 3.46Å; S390-S393 PolarHBondContact O-N 3.2Å; S390-S393 PolarHBondContact O-OG 3.34Å; S390-S393 PolarHBondContact OG-N 2.79Å; L391-S393 PolarHBondContact O-N 2.79Å; S393-N399 CarbonylContact O-C 3.6Å; S393-N399 WeakPolarHBondContact O-CB 3.44Å; S393-A400 PolarHBondContact O-N 2.83Å |
| 394 | Y | 75.7 | Confident | 71.7 | Confident | 13 Ų | 13 | 37.9 Ų | 37.9 | 5% | 0.051 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -91.3 | -12.3 | 173.1 | -68.7 | -95.9 | 0 | 0 | 0 | 113.2 | T384 R389 L391 Q392 A400 D402 M403 F404 | T384-Y394 HydrophobicContact CG2-CD2 4.31Å; T384-Y394 HydrophobicContact CG2-CE2 3.65Å; R389-Y394 HydrophobicContact CB-CE2 3.99Å; L391-Y394 PolarHBondContact O-N 3.17Å; L391-Y394 VanDerWaalsContact O-N 3.13Å; Q392-Y394 PolarHBondContact O-N 3.23Å; Y394-A400 WeakPolarHBondContact O-CA 3.46Å; Y394-A400 VanDerWaalsContact O-CB 3.23Å; Y394-A400 WeakPolarHBondContact O-CB 3.29Å; Y394-D402 HydrophobicContact CD1-CB 4.17Å; Y394-D402 WeakPolarHBondContact CD1-O 2.98Å; Y394-D402 HydrophobicContact CE1-CB 4.19Å; Y394-M403 WeakPolarHBondContact CD1-O 3.46Å; Y394-F404 HydrophobicContact CG-CD1 4.05Å; Y394-F404 HydrophobicContact CG-CE1 4.4Å |
| 395 | V | 66 | Low | 71.8 | Confident | 9 Ų | 9 | 38.1 Ų | 38.1 | 6% | 0.055 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.8 | 1.6 | -179.5 | -63.5 | 0 | 0 | 0 | 0 | 112.7 | P210 E211 Q392 F404 Y529 E542 | P210-V395 WeakPolarHBondContact CG-O 3.33Å; E211-V395 WeakPolarHBondContact CG-O 3.38Å; Q392-V395 CarbonylContact O-C 3.51Å; Q392-V395 WeakPolarHBondContact O-CG2 3.36Å; Q392-V395 PolarHBondContact O-N 3.33Å; V395-F404 HydrophobicContact CG1-CE1 4.11Å; V395-F404 HydrophobicContact CG1-CE2 3.97Å; V395-F404 HydrophobicContact CG1-CZ 3.45Å; V395-F404 VanDerWaalsContact CG1-CZ 3.45Å; V395-Y529 HydrophobicContact CB-CD1 4.09Å; V395-Y529 HydrophobicContact CB-CE1 3.62Å; V395-Y529 HydrophobicContact CG1-CD1 3.7Å; V395-Y529 HydrophobicContact CG1-CE1 3.77Å; V395-Y529 HydrophobicContact CG1-CG 4.17Å; V395-Y529 HydrophobicContact CG2-CD1 4.45Å; V395-Y529 HydrophobicContact CG2-CE1 3.72Å; V395-Y529 HydrophobicContact CG2-CE2 4.15Å; V395-E542 HydrophobicContact CG1-CB 4.01Å; V395-E542 HydrophobicContact CG1-CG 4.2Å |
| 396 | V | 49.1 | Very low | 72.3 | Confident | 49 Ų | 49 | 32.7 Ų | 32.7 | 30% | 0.297 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -138.8 | 106.7 | -179.1 | -174.6 | 0 | 0 | 0 | 0 | 109.1 | P210 Q392 | P210-V396 HydrophobicContact CB-CB 4.29Å; P210-V396 HydrophobicContact CB-CG1 3.92Å; P210-V396 HydrophobicContact CB-CG2 3.7Å; P210-V396 HydrophobicContact CG-CB 4.47Å; P210-V396 HydrophobicContact CG-CG2 3.72Å; Q392-V396 HydrophobicContact CB-CB 4.46Å; Q392-V396 HydrophobicContact CB-CG2 4.03Å; Q392-V396 WeakPolarHBondContact O-CA 3.39Å; Q392-V396 WeakPolarHBondContact O-CB 2.97Å; Q392-V396 VanDerWaalsContact O-CG2 3.31Å; Q392-V396 WeakPolarHBondContact O-CG2 3.16Å; Q392-V396 PolarHBondContact O-N 3.1Å |
| 397 | G | 38.8 | Very low | 72.7 | Confident | 6 Ų | 6 | 32.2 Ų | 32.2 | 6% | 0.062 | 19% | 0.189 | C | C | . | . | S | Bend | trans | 117.2 | -165.3 | 157.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N399 A400 | G397-N399 PolarHBondContact O-N 3.19Å; G397-A400 WeakPolarHBondContact O-CB 3.27Å; G397-A400 PolarHBondContact O-N 3.09Å; G397-A400 VanDerWaalsContact O-N 3.15Å |
| 398 | N | 37 | Very low | 73.2 | Confident | 57 Ų | 57 | 29.7 Ų | 29.7 | 31% | 0.305 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -59.7 | -28.3 | 172.2 | -62.9 | -12.5 | 0 | 0 | 0 | 112.5 | Y137 N138 T139 A400 | Y137-N398 PolarHBondContact O-ND2 3.5Å; Y137-N398 PolarHBondContact O-OD1 2.9Å; N138-N398 HydrophobicContact CB-CB 4.31Å; N138-N398 WeakPolarHBondContact O-CA 3.32Å; N138-N398 VanDerWaalsContact O-CB 3.24Å; N138-N398 WeakPolarHBondContact O-CB 3.48Å; T139-N398 VanDerWaalsContact CG2-OD1 3.26Å; T139-N398 WeakPolarHBondContact CG2-OD1 3.41Å; N398-A400 VanDerWaalsContact C-N 3.28Å; N398-A400 PolarHBondContact O-N 3.3Å |
| 399 | N | 47.8 | Very low | 73.8 | Confident | 87 Ų | 87 | 26.5 Ų | 26.5 | 47% | 0.465 | 14% | 0.144 | S | C | . | . | G | 310 helix | trans | -72 | -18 | 179.8 | -73.9 | -10.1 | 0 | 0 | 0 | 113.5 | R389 S393 G397 Q401 D402 | R389-N399 PolarHBondContact NH2-O 3.29Å; S393-N399 CarbonylContact O-C 3.6Å; S393-N399 WeakPolarHBondContact O-CB 3.44Å; G397-N399 PolarHBondContact O-N 3.19Å; N399-Q401 PolarHBondContact O-N 3.32Å; N399-D402 PolarHBondContact O-N 3.13Å |
| 400 | A | 54.9 | Low | 74.5 | Confident | 9 Ų | 9 | 24.3 Ų | 24.3 | 7% | 0.074 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -75.6 | 10.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.4 | V140 E211 S393 Y394 G397 N398 D402 | V140-A400 WeakPolarHBondContact CG1-O 3.45Å; V140-A400 HydrophobicContact CG2-CB 3.34Å; V140-A400 VanDerWaalsContact CG2-O 3.29Å; V140-A400 WeakPolarHBondContact CG2-O 3.07Å; E211-A400 HydrophobicContact CG-CB 4.14Å; S393-A400 PolarHBondContact O-N 2.83Å; Y394-A400 WeakPolarHBondContact O-CA 3.46Å; Y394-A400 VanDerWaalsContact O-CB 3.23Å; Y394-A400 WeakPolarHBondContact O-CB 3.29Å; G397-A400 WeakPolarHBondContact O-CB 3.27Å; G397-A400 PolarHBondContact O-N 3.09Å; G397-A400 VanDerWaalsContact O-N 3.15Å; N398-A400 VanDerWaalsContact C-N 3.28Å; N398-A400 PolarHBondContact O-N 3.3Å; A400-D402 VanDerWaalsContact C-N 3.25Å |
| 401 | Q | 59.5 | Low | 75 | Confident | 34 Ų | 34 | 21.4 Ų | 21.4 | 16% | 0.159 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -74.4 | -15.5 | 165.7 | -75 | -146 | -11.4 | 0 | 0 | 114 | T139 V140 W145 N399 | T139-Q401 PolarHBondContact O-NE2 3.12Å; V140-Q401 HydrophobicContact CB-CG 4.43Å; V140-Q401 HydrophobicContact CG1-CG 4.49Å; V140-Q401 HydrophobicContact CG2-CG 4.31Å; W145-Q401 HydrophobicContact CZ3-CG 4.19Å; W145-Q401 VanDerWaalsContact CZ3-OE1 3.24Å; N399-Q401 PolarHBondContact O-N 3.32Å |
| 402 | D | 74.2 | Confident | 75.5 | Confident | 64 Ų | 64 | 22.1 Ų | 22.1 | 34% | 0.342 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -87 | 129.1 | 172.9 | -66.8 | -52.8 | 0 | 0 | 0 | 109.8 | R389 Y394 N399 A400 | R389-D402 IonicContact CZ-OD2 3.38Å; R389-D402 IonicContact NH1-OD2 3.16Å; R389-D402 PolarHBondContact NH1-OD2 3.37Å; R389-D402 IonicContact NH2-OD2 2.8Å; Y394-D402 HydrophobicContact CD1-CB 4.17Å; Y394-D402 WeakPolarHBondContact CD1-O 2.98Å; Y394-D402 HydrophobicContact CE1-CB 4.19Å; N399-D402 PolarHBondContact O-N 3.13Å; A400-D402 VanDerWaalsContact C-N 3.25Å |
| 403 | M | 87.8 | Confident | 76.3 | Confident | 11 Ų | 11 | 25 Ų | 25 | 5% | 0.054 | 13% | 0.127 | C | C | . | . | P | Polyproline II helix | trans | -60.9 | 156.7 | 171.2 | 69.9 | -177.2 | -155.2 | 0 | 0 | 110.7 | Y394 N407 P462 I540 | Y394-M403 WeakPolarHBondContact CD1-O 3.46Å; M403-N407 HydrophobicContact CE-CB 4.27Å; M403-N407 WeakPolarHBondContact CE-O 3.13Å; M403-N407 HydrophobicContact CG-CB 4.47Å; M403-N407 HydrophobicContact SD-CB 4.14Å; M403-P462 HydrophobicContact CB-CB 4.3Å; M403-P462 HydrophobicContact CG-CB 4.26Å; M403-I540 HydrophobicContact CB-CB 3.91Å; M403-I540 HydrophobicContact CB-CG2 3.57Å; M403-I540 HydrophobicContact SD-CB 4.37Å; M403-I540 HydrophobicContact SD-CD1 3.95Å |
| 404 | F | 93.1 | Very high | 76.9 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 0% | 0.004 | 16% | 0.159 | C | C | . | . | P | Polyproline II helix | trans | -57.5 | 139.3 | 170 | -73.4 | -57.3 | 0 | 0 | 0 | 111.7 | Y394 V395 W406 N407 Y529 E542 | Y394-F404 HydrophobicContact CG-CD1 4.05Å; Y394-F404 HydrophobicContact CG-CE1 4.4Å; V395-F404 HydrophobicContact CG1-CE1 4.11Å; V395-F404 HydrophobicContact CG1-CE2 3.97Å; V395-F404 HydrophobicContact CG1-CZ 3.45Å; V395-F404 VanDerWaalsContact CG1-CZ 3.45Å; F404-W406 HydrophobicContact CB-CD2 4.04Å; F404-W406 HydrophobicContact CB-CG 4.41Å; F404-W406 HydrophobicContact CB-CH2 4.32Å; F404-W406 HydrophobicContact CB-CZ2 3.54Å; F404-W406 VanDerWaalsContact CB-NE1 3.32Å; F404-W406 AromaticContact CD1-CH2 3.83Å; F404-W406 HydrophobicContact CD1-CH2 3.83Å; F404-W406 AromaticContact CD1-CZ2 3.45Å; F404-W406 HydrophobicContact CD1-CZ2 3.45Å; F404-W406 VanDerWaalsContact CD1-CZ2 3.45Å; F404-W406 AromaticContact CD2-CZ2 3.89Å; F404-W406 HydrophobicContact CD2-CZ2 3.89Å; F404-W406 AromaticContact CD2-NE1 3.98Å; F404-W406 HydrophobicContact CE1-CH2 4.35Å; F404-W406 HydrophobicContact CE1-CZ2 4.04Å; F404-W406 HydrophobicContact CE2-CZ2 4.43Å; F404-W406 AromaticContact CG-CE2 3.72Å; F404-W406 HydrophobicContact CG-CH2 4.18Å; F404-W406 AromaticContact CG-CZ2 3.37Å; F404-W406 HydrophobicContact CG-CZ2 3.37Å; F404-W406 AromaticContact CG-NE1 3.83Å; F404-W406 HydrophobicContact CZ-CZ2 4.49Å; F404-W406 PolarHBondContact O-N 3.27Å; F404-W406 VanDerWaalsContact O-N 3.11Å; F404-N407 WeakPolarHBondContact O-CB 3.37Å; F404-N407 PolarHBondContact O-N 2.96Å; F404-Y529 HydrophobicContact CE2-CG 4.4Å; F404-Y529 HydrophobicContact CZ-CD2 4.45Å; F404-Y529 HydrophobicContact CZ-CG 4.45Å; F404-E542 HydrophobicContact CD2-CG 3.68Å; F404-E542 WeakPolarHBondContact CD2-OE1 3.1Å; F404-E542 HydrophobicContact CE2-CB 4.34Å; F404-E542 HydrophobicContact CE2-CG 3.75Å; F404-E542 HydrophobicContact CG-CG 4.45Å; F404-E542 PolarHBondContact N-OE1 2.03Å |
| 405 | P | 94.3 | Very high | 77.3 | Confident | 6 Ų | 6 | 39.2 Ų | 39.2 | 4% | 0.039 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -8.6 | -168.2 | 27 | -35.1 | 0 | 0 | 0 | 115.1 | T384 F387 V510 V511 | T384-P405 HydrophobicContact CG2-CG 3.71Å; F387-P405 HydrophobicContact CE2-CB 3.8Å; F387-P405 HydrophobicContact CE2-CG 4.13Å; P405-V510 WeakPolarHBondContact O-CA 3.29Å; P405-V510 WeakPolarHBondContact O-CB 3.46Å; P405-V510 VanDerWaalsContact O-CG1 3.3Å; P405-V510 WeakPolarHBondContact O-CG1 3.3Å; P405-V511 HydrophobicContact CB-CG2 4Å; P405-V511 HydrophobicContact CG-CG2 3.52Å; P405-V511 PolarHBondContact O-N 2.93Å |
| 406 | W | 96 | Very high | 78.3 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -12.8 | 169.8 | 40.8 | 80.6 | 0 | 0 | 0 | 113.5 | T384 L391 F404 S423 L424 V511 V513 V585 A592 | T384-W406 HydrophobicContact CG2-CZ3 4.4Å; L391-W406 HydrophobicContact CD2-CH2 3.67Å; L391-W406 HydrophobicContact CD2-CZ3 4.23Å; F404-W406 HydrophobicContact CB-CD2 4.04Å; F404-W406 HydrophobicContact CB-CG 4.41Å; F404-W406 HydrophobicContact CB-CH2 4.32Å; F404-W406 HydrophobicContact CB-CZ2 3.54Å; F404-W406 VanDerWaalsContact CB-NE1 3.32Å; F404-W406 AromaticContact CD1-CH2 3.83Å; F404-W406 HydrophobicContact CD1-CH2 3.83Å; F404-W406 AromaticContact CD1-CZ2 3.45Å; F404-W406 HydrophobicContact CD1-CZ2 3.45Å; F404-W406 VanDerWaalsContact CD1-CZ2 3.45Å; F404-W406 AromaticContact CD2-CZ2 3.89Å; F404-W406 HydrophobicContact CD2-CZ2 3.89Å; F404-W406 AromaticContact CD2-NE1 3.98Å; F404-W406 HydrophobicContact CE1-CH2 4.35Å; F404-W406 HydrophobicContact CE1-CZ2 4.04Å; F404-W406 HydrophobicContact CE2-CZ2 4.43Å; F404-W406 AromaticContact CG-CE2 3.72Å; F404-W406 HydrophobicContact CG-CH2 4.18Å; F404-W406 AromaticContact CG-CZ2 3.37Å; F404-W406 HydrophobicContact CG-CZ2 3.37Å; F404-W406 AromaticContact CG-NE1 3.83Å; F404-W406 HydrophobicContact CZ-CZ2 4.49Å; F404-W406 PolarHBondContact O-N 3.27Å; F404-W406 VanDerWaalsContact O-N 3.11Å; W406-S423 CarbonylContact O-C 3.51Å; W406-S423 WeakPolarHBondContact O-CA 3.13Å; W406-L424 HydrophobicContact CB-CB 4.37Å; W406-L424 WeakPolarHBondContact CB-O 3.34Å; W406-L424 WeakPolarHBondContact O-CB 3.4Å; W406-L424 PolarHBondContact O-N 3.29Å; W406-V511 WeakPolarHBondContact CA-O 3.34Å; W406-V511 WeakPolarHBondContact CB-O 3.43Å; W406-V511 HydrophobicContact CE3-CG2 4.41Å; W406-V511 PolarHBondContact N-O 3.45Å; W406-V513 HydrophobicContact CB-CB 4.05Å; W406-V513 HydrophobicContact CB-CG1 4.38Å; W406-V513 HydrophobicContact CD2-CB 3.62Å; W406-V513 HydrophobicContact CD2-CG2 4.04Å; W406-V513 HydrophobicContact CE3-CB 3.92Å; W406-V513 HydrophobicContact CE3-CG2 4.31Å; W406-V513 HydrophobicContact CG-CB 3.69Å; W406-V513 HydrophobicContact CG-CG1 4.24Å; W406-V513 HydrophobicContact CG-CG2 4.47Å; W406-V513 HydrophobicContact CZ2-CG2 4.36Å; W406-V585 HydrophobicContact CZ2-CG1 3.87Å; W406-A592 HydrophobicContact CH2-CB 3.38Å; W406-A592 HydrophobicContact CZ2-CB 3.88Å; W406-A592 HydrophobicContact CZ3-CB 4.1Å |
| 407 | N | 95.9 | Very high | 80.1 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 136.5 | -172.3 | -71 | -23.9 | 0 | 0 | 0 | 112.8 | M403 F404 T531 I540 E542 | M403-N407 HydrophobicContact CE-CB 4.27Å; M403-N407 WeakPolarHBondContact CE-O 3.13Å; M403-N407 HydrophobicContact CG-CB 4.47Å; M403-N407 HydrophobicContact SD-CB 4.14Å; F404-N407 WeakPolarHBondContact O-CB 3.37Å; F404-N407 PolarHBondContact O-N 2.96Å; N407-T531 VanDerWaalsContact ND2-CG2 3.26Å; N407-T531 WeakPolarHBondContact ND2-CG2 3.43Å; N407-I540 HydrophobicContact CB-CD1 4.1Å; N407-E542 PolarHBondContact ND2-OE1 3.24Å |
| 408 | V | 96 | Very high | 82.6 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 151.1 | 176.8 | -48.9 | 0 | 0 | 0 | 0 | 112.4 | I421 G422 L424 V440 V457 Y458 A459 | V408-I421 CarbonylContact O-C 3.54Å; V408-I421 WeakPolarHBondContact O-CA 3.28Å; V408-G422 PolarHBondContact N-O 2.96Å; V408-G422 PolarHBondContact O-N 3.22Å; V408-L424 HydrophobicContact CG1-CB 4.46Å; V408-V440 HydrophobicContact CG2-CB 4.47Å; V408-V440 HydrophobicContact CG2-CG1 3.46Å; V408-V440 VanDerWaalsContact CG2-CG1 3.46Å; V408-V440 HydrophobicContact CG2-CG2 4.13Å; V408-V457 HydrophobicContact CB-CG1 3.7Å; V408-V457 HydrophobicContact CG1-CG1 4.23Å; V408-V457 HydrophobicContact CG2-CG1 3.81Å; V408-Y458 CarbonylContact C-O 3.57Å; V408-Y458 VanDerWaalsContact CA-O 3.3Å; V408-Y458 WeakPolarHBondContact CA-O 3.42Å; V408-A459 HydrophobicContact CB-CB 4.42Å; V408-A459 HydrophobicContact CG1-CB 3.75Å |
| 409 | I | 95.1 | Very high | 85.2 | Confident | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 121.9 | -177 | -58.6 | 176.6 | 0 | 0 | 0 | 109.2 | T411 T418 V457 Y458 F464 Y533 I540 | I409-T411 HydrophobicContact CG2-CG2 3.67Å; I409-T418 HydrophobicContact CG2-CG2 3.53Å; I409-V457 WeakPolarHBondContact O-CA 3.4Å; I409-Y458 PolarHBondContact N-O 3.26Å; I409-Y458 PolarHBondContact O-N 2.81Å; I409-F464 HydrophobicContact CD1-CB 3.41Å; I409-F464 VanDerWaalsContact CD1-CB 3.41Å; I409-F464 HydrophobicContact CD1-CG 4.03Å; I409-F464 HydrophobicContact CG2-CD1 4.19Å; I409-F464 HydrophobicContact CG2-CG 4.35Å; I409-Y533 HydrophobicContact CD1-CD2 4.15Å; I409-Y533 HydrophobicContact CD1-CE2 4.39Å; I409-I540 HydrophobicContact CD1-CD1 3.86Å; I409-I540 HydrophobicContact CD1-CG1 4.1Å; I409-I540 HydrophobicContact CG1-CD1 3.62Å; I409-I540 HydrophobicContact CG1-CG1 4.32Å |
| 410 | I | 94.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 122.6 | 179.8 | -55.5 | 176.8 | 0 | 0 | 0 | 109.2 | K419 C420 T442 L455 L498 | I410-K419 PolarHBondContact O-N 3.2Å; I410-C420 HydrophobicContact CB-CB 4.24Å; I410-C420 HydrophobicContact CD1-CB 4.31Å; I410-C420 PolarHBondContact N-O 3.37Å; I410-C420 PolarHBondContact O-N 2.79Å; I410-T442 HydrophobicContact CD1-CG2 3.67Å; I410-L455 HydrophobicContact CG2-CD1 4.29Å; I410-L498 HydrophobicContact CD1-CD1 4.44Å; I410-L498 HydrophobicContact CD1-CD2 4.47Å |
| 411 | T | 93.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 154.8 | -166.9 | 71.5 | 0 | 0 | 0 | 0 | 112.3 | I409 S417 L455 R456 Y458 F464 | I409-T411 HydrophobicContact CG2-CG2 3.67Å; T411-S417 WeakPolarHBondContact CA-O 3.24Å; T411-L455 CarbonylContact O-C 3.44Å; T411-L455 WeakPolarHBondContact O-CA 3.48Å; T411-L455 WeakPolarHBondContact O-CD2 3.46Å; T411-R456 PolarHBondContact N-O 3.37Å; T411-R456 PolarHBondContact O-N 3.07Å; T411-R456 PolarHBondContact OG1-O 3.42Å; T411-R456 VanDerWaalsContact OG1-O 3.11Å; T411-Y458 HydrophobicContact CG2-CD2 3.93Å; T411-Y458 HydrophobicContact CG2-CE2 4.34Å; T411-Y458 WeakPolarHBondContact OG1-CE2 3.43Å; T411-F464 HydrophobicContact CG2-CD1 4.43Å; T411-F464 HydrophobicContact CG2-CE1 3.67Å; T411-F464 HydrophobicContact CG2-CE2 4.22Å; T411-F464 HydrophobicContact CG2-CZ 3.56Å |
| 412 | T | 91.7 | Very high | 91.1 | Very high | 19 Ų | 19 | 31.8 Ų | 31.8 | 12% | 0.117 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 128.5 | 171 | 56.9 | 0 | 0 | 0 | 0 | 111.8 | V414 G416 S417 K419 L455 | T412-V414 VanDerWaalsContact C-N 3.33Å; T412-V414 PolarHBondContact O-N 2.85Å; T412-G416 VanDerWaalsContact O-CA 3.25Å; T412-G416 WeakPolarHBondContact O-CA 3.35Å; T412-G416 PolarHBondContact O-N 3.27Å; T412-G416 PolarHBondContact OG1-N 2.96Å; T412-S417 WeakPolarHBondContact CG2-OG 3.19Å; T412-S417 PolarHBondContact N-O 3.16Å; T412-S417 PolarHBondContact OG1-N 3.33Å; T412-S417 PolarHBondContact OG1-OG 3.05Å; T412-K419 HydrophobicContact CG2-CD 4.37Å; T412-K419 VanDerWaalsContact CG2-CE 3.46Å; T412-K419 HydrophobicContact CG2-CG 4.06Å; T412-L455 HydrophobicContact CG2-CD2 4.27Å |
| 413 | R | 87.9 | Confident | 92.3 | Very high | 143 Ų | 143 | 28.8 Ų | 28.8 | 54% | 0.54 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -45.4 | -50.8 | -179.9 | 178.6 | -176.3 | 176.6 | 161.6 | -2.4 | 113.5 | R454 R456 R469 | R413-R454 WeakPolarHBondContact CB-O 3.03Å; R413-R454 PolarHBondContact N-O 2.8Å; R413-R456 HydrophobicContact CB-CG 4.37Å; R413-R469 PolarHBondContact O-NH1 3.2Å; R413-R469 VanDerWaalsContact O-NH1 3.13Å |
| 414 | V | 84.9 | Confident | 92.7 | Very high | 123 Ų | 123 | 28.3 Ų | 28.3 | 75% | 0.745 | 13% | 0.128 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -74.3 | -174.8 | -175.8 | 0 | 0 | 0 | 0 | 110.8 | T412 G416 R469 | T412-V414 VanDerWaalsContact C-N 3.33Å; T412-V414 PolarHBondContact O-N 2.85Å; V414-G416 PolarHBondContact O-N 3.02Å; V414-G416 VanDerWaalsContact O-N 3.07Å; V414-R469 PolarHBondContact O-NH2 2.87Å |
| 415 | R | 85.4 | Confident | 92.9 | Very high | 202 Ų | 202 | 28.2 Ų | 28.2 | 76% | 0.762 | 13% | 0.128 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67 | -9 | -174.6 | -70 | -172.8 | 176.3 | -177.3 | -0.8 | 115.3 | S417 | R415-S417 PolarHBondContact O-N 3.01Š|
| 416 | G | 85.5 | Confident | 92.9 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | 60.8 | 11.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | T412 V414 T418 | T412-G416 VanDerWaalsContact O-CA 3.25Å; T412-G416 WeakPolarHBondContact O-CA 3.35Å; T412-G416 PolarHBondContact O-N 3.27Å; T412-G416 PolarHBondContact OG1-N 2.96Å; V414-G416 PolarHBondContact O-N 3.02Å; V414-G416 VanDerWaalsContact O-N 3.07Å; G416-T418 PolarHBondContact O-N 2.76Å | ||
| 417 | S | 87.6 | Confident | 92.5 | Very high | 11 Ų | 11 | 35 Ų | 35 | 8% | 0.077 | 16% | 0.157 | C | C | . | . | trans | -70.8 | 121.5 | -176.4 | 64.2 | 0 | 0 | 0 | 0 | 111.1 | T411 T412 R415 K419 | T411-S417 WeakPolarHBondContact CA-O 3.24Å; T412-S417 WeakPolarHBondContact CG2-OG 3.19Å; T412-S417 PolarHBondContact N-O 3.16Å; T412-S417 PolarHBondContact OG1-N 3.33Å; T412-S417 PolarHBondContact OG1-OG 3.05Å; R415-S417 PolarHBondContact O-N 3.01Å; S417-K419 WeakPolarHBondContact OG-CE 3.33Å | ||
| 418 | T | 91.6 | Very high | 92.1 | Very high | 11 Ų | 11 | 36.6 Ų | 36.6 | 7% | 0.067 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 133.9 | 168.6 | -48.3 | 0 | 0 | 0 | 0 | 110.2 | I409 G416 Y533 I578 | I409-T418 HydrophobicContact CG2-CG2 3.53Å; G416-T418 PolarHBondContact O-N 2.76Å; T418-Y533 HydrophobicContact CG2-CD1 3.86Å; T418-Y533 HydrophobicContact CG2-CE1 4.05Å; T418-Y533 HydrophobicContact CG2-CG 4.16Å; T418-I578 HydrophobicContact CG2-CD1 3.72Å |
| 419 | K | 91.1 | Very high | 91.6 | Very high | 72 Ų | 72 | 42.2 Ų | 42.2 | 31% | 0.313 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | -47.6 | 178 | -66 | -57 | -178.4 | -173.1 | 0 | 111.5 | I410 T412 S417 I578 | I410-K419 PolarHBondContact O-N 3.2Å; T412-K419 HydrophobicContact CG2-CD 4.37Å; T412-K419 VanDerWaalsContact CG2-CE 3.46Å; T412-K419 HydrophobicContact CG2-CG 4.06Å; S417-K419 WeakPolarHBondContact OG-CE 3.33Å; K419-I578 WeakPolarHBondContact O-CG2 3.19Å |
| 420 | C | 94.9 | Very high | 91 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.007 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 167.9 | -175.5 | -73.4 | 0 | 0 | 0 | 0 | 111.5 | I410 C446 L580 | I410-C420 HydrophobicContact CB-CB 4.24Å; I410-C420 HydrophobicContact CD1-CB 4.31Å; I410-C420 PolarHBondContact N-O 3.37Å; I410-C420 PolarHBondContact O-N 2.79Å; C420-C446 HydrophobicContact CB-CB 3.78Å; C420-C446 WeakPolarHBondContact CB-SG 3.13Å; C420-C446 WeakPolarHBondContact SG-CA 3.31Å; C420-C446 WeakPolarHBondContact SG-CB 3.45Å; C420-C446 CovalentContact SG-SG 2.01Å; C420-C446 PolarHBondContact SG-SG 2.91Å; C420-L580 WeakPolarHBondContact CA-O 3.49Å; C420-L580 WeakPolarHBondContact CB-O 3.36Å; C420-L580 VanDerWaalsContact SG-CG 3.58Å; C420-L580 PolarHBondContact SG-O 2.99Å |
| 421 | I | 95.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 161.9 | 163.9 | -60.6 | 172.2 | 0 | 0 | 0 | 107.2 | V408 T442 T531 I578 L580 G581 A582 | V408-I421 CarbonylContact O-C 3.54Å; V408-I421 WeakPolarHBondContact O-CA 3.28Å; I421-T442 PolarHBondContact O-OG1 2.67Å; I421-T531 HydrophobicContact CD1-CG2 4.17Å; I421-T531 HydrophobicContact CG2-CG2 4.1Å; I421-I578 VanDerWaalsContact CD1-O 3.29Å; I421-I578 WeakPolarHBondContact CD1-O 2.93Å; I421-L580 PolarHBondContact N-O 3.01Å; I421-G581 CarbonylContact O-C 3.49Å; I421-G581 VanDerWaalsContact O-C 3.26Å; I421-G581 WeakPolarHBondContact O-CA 3.02Å; I421-G581 VanDerWaalsContact O-O 3.11Å; I421-A582 HydrophobicContact CB-CB 4.13Å; I421-A582 HydrophobicContact CD1-CB 4.35Å; I421-A582 HydrophobicContact CG2-CB 4.15Å |
| 422 | G | 96.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 177.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | V408 L441 | V408-G422 PolarHBondContact N-O 2.96Å; V408-G422 PolarHBondContact O-N 3.22Å; G422-L441 CarbonylContact C-O 3.5Å; G422-L441 WeakPolarHBondContact CA-O 3.47Å |
| 423 | S | 97.9 | Very high | 90 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 137.9 | 173.6 | 50 | 0 | 0 | 0 | 0 | 111 | W406 V440 L441 Q594 | W406-S423 CarbonylContact O-C 3.51Å; W406-S423 WeakPolarHBondContact O-CA 3.13Å; S423-V440 CarbonylContact O-C 3.54Å; S423-V440 VanDerWaalsContact O-CA 3.24Å; S423-V440 WeakPolarHBondContact O-CA 3.33Å; S423-L441 PolarHBondContact N-O 3.18Å; S423-L441 PolarHBondContact O-N 2.71Å; S423-Q594 VanDerWaalsContact OG-CD 3.32Å; S423-Q594 PolarHBondContact OG-NE2 2.94Å; S423-Q594 PolarHBondContact OG-OE1 2.93Å |
| 424 | L | 97.4 | Very high | 90 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 123.6 | 164.3 | -171.1 | 72.3 | 0 | 0 | 0 | 108.3 | W406 V408 V440 L504 V510 P512 V513 | W406-L424 HydrophobicContact CB-CB 4.37Å; W406-L424 WeakPolarHBondContact CB-O 3.34Å; W406-L424 WeakPolarHBondContact O-CB 3.4Å; W406-L424 PolarHBondContact O-N 3.29Å; V408-L424 HydrophobicContact CG1-CB 4.46Å; L424-V440 HydrophobicContact CD1-CG2 4.13Å; L424-L504 HydrophobicContact CD1-CD1 4.28Å; L424-L504 HydrophobicContact CD2-CB 4.22Å; L424-V510 HydrophobicContact CD2-CB 3.99Å; L424-V510 HydrophobicContact CD2-CG2 3.67Å; L424-P512 HydrophobicContact CG-CB 4.4Å; L424-P512 CarbonylContact O-C 3.54Å; L424-P512 VanDerWaalsContact O-CA 3.29Å; L424-P512 WeakPolarHBondContact O-CA 3.06Å; L424-V513 PolarHBondContact O-N 3.08Å |
| 425 | V | 96.7 | Very high | 90 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -121.2 | 157.7 | -172.3 | -61.8 | 0 | 0 | 0 | 0 | 113 | S437 I439 L441 V513 L515 | V425-S437 WeakPolarHBondContact O-CB 3.43Å; V425-S437 PolarHBondContact O-OG 2.68Å; V425-I439 HydrophobicContact CG2-CB 4.08Å; V425-I439 HydrophobicContact CG2-CG2 3.75Å; V425-I439 PolarHBondContact N-O 3.1Å; V425-L441 HydrophobicContact CB-CD1 4.48Å; V425-L441 HydrophobicContact CB-CG 4.43Å; V425-L441 HydrophobicContact CG1-CB 4.43Å; V425-L441 HydrophobicContact CG1-CD1 3.66Å; V425-L441 HydrophobicContact CG1-CG 3.74Å; V425-L441 HydrophobicContact CG2-CD1 4.25Å; V425-L441 HydrophobicContact CG2-CD2 4.34Å; V425-L441 HydrophobicContact CG2-CG 3.84Å; V425-V513 HydrophobicContact CG1-CG1 3.9Å; V425-L515 HydrophobicContact CB-CD2 3.95Å; V425-L515 HydrophobicContact CG1-CD2 3.84Å |
| 426 | H | 93.6 | Very high | 90.3 | Very high | 27 Ų | 27 | 44.3 Ų | 44.3 | 13% | 0.125 | 22% | 0.223 | C | C | . | . | trans | -99.9 | 135.5 | 167.2 | -178.1 | 42.8 | 0 | 0 | 0 | 110.2 | C381 G428 H429 Q432 P512 V513 | C381-H426 HydrophobicContact CB-CB 3.75Å; H426-G428 PolarHBondContact CD2-O 2.73Å; H426-G428 VanDerWaalsContact CD2-O 3.27Å; H426-G428 PolarHBondContact ND1-N 2.83Å; H426-G428 VanDerWaalsContact NE2-CA 3.3Å; H426-G428 WeakPolarHBondContact NE2-CA 3.48Å; H426-H429 PolarHBondContact NE2-N 3.12Å; H426-H429 PolarHBondContact NE2-O 2.84Å; H426-Q432 PolarHBondContact CE1-OE1 3.15Å; H426-Q432 WeakPolarHBondContact NE2-CB 3.4Å; H426-Q432 PolarHBondContact NE2-OE1 3.28Å; H426-P512 HydrophobicContact CB-CB 4.15Å; H426-P512 HydrophobicContact CB-CG 4.21Å; H426-V513 PolarHBondContact N-O 3.15Å | ||
| 427 | K | 89.4 | Confident | 90.7 | Very high | 120 Ų | 120 | 44.9 Ų | 44.9 | 52% | 0.522 | 23% | 0.227 | S | C | . | . | trans | -87.2 | -25.6 | 175.9 | 170.6 | 171.2 | 174.9 | 170.2 | 0 | 112.6 | I439 F627 | K427-I439 HydrophobicContact CB-CD1 4.18Å; K427-F627 HydrophobicContact CB-CD2 4.02Å; K427-F627 HydrophobicContact CB-CE2 3.87Å; K427-F627 HydrophobicContact CD-CB 4.18Å; K427-F627 HydrophobicContact CD-CD1 4.24Å; K427-F627 HydrophobicContact CD-CD2 4.01Å; K427-F627 HydrophobicContact CD-CE2 4.46Å; K427-F627 HydrophobicContact CD-CG 3.89Å; K427-F627 HydrophobicContact CG-CB 4.42Å; K427-F627 HydrophobicContact CG-CD2 3.67Å; K427-F627 HydrophobicContact CG-CE2 4.05Å; K427-F627 HydrophobicContact CG-CG 4.07Å; K427-F627 PolarHBondContact NZ-O 2.95Å | ||
| 428 | G | 85.7 | Confident | 91.1 | Very high | 34 Ų | 34 | 46 Ų | 46 | 35% | 0.351 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -86.5 | -170.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | H426 | H426-G428 PolarHBondContact CD2-O 2.73Å; H426-G428 VanDerWaalsContact CD2-O 3.27Å; H426-G428 PolarHBondContact ND1-N 2.83Å; H426-G428 VanDerWaalsContact NE2-CA 3.3Å; H426-G428 WeakPolarHBondContact NE2-CA 3.48Å |
| 429 | H | 85.9 | Confident | 91.3 | Very high | 119 Ų | 119 | 46.8 Ų | 46.8 | 55% | 0.551 | 24% | 0.236 | S | C | * | . | trans | -70 | 148.4 | 179.6 | -165.3 | -101.9 | 0 | 0 | 0 | 111.8 | H426 R431 Q432 | H426-H429 PolarHBondContact NE2-N 3.12Å; H426-H429 PolarHBondContact NE2-O 2.84Å; H429-R431 PolarHBondContact ND1-N 3.19Å; H429-R431 PolarHBondContact O-N 3.32Å; H429-R431 VanDerWaalsContact O-N 3.12Å; H429-Q432 VanDerWaalsContact O-CB 3.24Å; H429-Q432 WeakPolarHBondContact O-CB 3.34Å; H429-Q432 PolarHBondContact O-N 3.49Å | ||
| 430 | E | 82.4 | Confident | 91.6 | Very high | 48 Ų | 48 | 43.3 Ų | 43.3 | 22% | 0.224 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -15.2 | -178 | 53.9 | 144.6 | -135.9 | 0 | 0 | 115.3 | R591 Y593 | E430-R591 IonicContact OE1-NH1 3.34Å; E430-R591 PolarHBondContact OE1-NH1 2.93Å; E430-R591 IonicContact OE2-NH1 2.73Å; E430-R591 PolarHBondContact OE2-NH1 2.01Å; E430-Y593 PolarHBondContact OE2-OH 2.92Å |
| 431 | R | 85 | Confident | 91.7 | Very high | 193 Ų | 193 | 43.3 Ų | 43.3 | 73% | 0.728 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | 1.2 | 173.8 | -59.5 | -176.4 | -175 | -175.4 | -0.4 | 113.7 | Y380 H429 | Y380-R431 WeakPolarHBondContact CE1-O 3.46Å; H429-R431 PolarHBondContact ND1-N 3.19Å; H429-R431 PolarHBondContact O-N 3.32Å; H429-R431 VanDerWaalsContact O-N 3.12Å |
| 432 | Q | 88.8 | Confident | 91.8 | Very high | 98 Ų | 98 | 43.3 Ų | 43.3 | 46% | 0.458 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -83.7 | 138.3 | 175.8 | -168.8 | 176.6 | 12.6 | 0 | 0 | 109.6 | H426 H429 V434 | H426-Q432 PolarHBondContact CE1-OE1 3.15Å; H426-Q432 WeakPolarHBondContact NE2-CB 3.4Å; H426-Q432 PolarHBondContact NE2-OE1 3.28Å; H429-Q432 VanDerWaalsContact O-CB 3.24Å; H429-Q432 WeakPolarHBondContact O-CB 3.34Å; H429-Q432 PolarHBondContact O-N 3.49Å; Q432-V434 VanDerWaalsContact O-CG2 3.31Å; Q432-V434 WeakPolarHBondContact O-CG2 3.49Å |
| 433 | A | 87.2 | Confident | 91.7 | Very high | 43 Ų | 43 | 43.3 Ų | 43.3 | 36% | 0.355 | 22% | 0.221 | S | C | . | . | trans | -74.7 | 135.4 | 171 | 0 | 0 | 0 | 0 | 0 | 111 | D378 V379 | D378-A433 HydrophobicContact CB-CB 4.2Å; V379-A433 CarbonylContact O-C 3.5Å; V379-A433 WeakPolarHBondContact O-CA 3.42Å | ||
| 434 | V | 87.2 | Confident | 91.5 | Very high | 9 Ų | 9 | 43.6 Ų | 43.6 | 6% | 0.055 | 22% | 0.223 | C | C | . | . | trans | -138.3 | 85 | -168 | -161.9 | 0 | 0 | 0 | 0 | 111 | V379 Q432 S436 P512 | V379-V434 WeakPolarHBondContact CG1-O 3.37Å; V379-V434 PolarHBondContact O-N 3.41Å; Q432-V434 VanDerWaalsContact O-CG2 3.31Å; Q432-V434 WeakPolarHBondContact O-CG2 3.49Å; V434-S436 WeakPolarHBondContact CG1-O 3.28Å; V434-S436 PolarHBondContact O-N 3.21Å; V434-P512 HydrophobicContact CB-CG 4.24Å; V434-P512 HydrophobicContact CG1-CG 3.82Å | ||
| 435 | N | 85 | Confident | 91.2 | Very high | 93 Ų | 93 | 49.4 Ų | 49.4 | 50% | 0.497 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -76.1 | -9.7 | 179.9 | -70.3 | -39.5 | 0 | 0 | 0 | 114.3 | V379 R506 | V379-N435 WeakPolarHBondContact CG2-OD1 3.28Å; N435-R506 PolarHBondContact O-N 2.81Å |
| 436 | S | 90.6 | Very high | 91 | Very high | 50 Ų | 50 | 49.6 Ų | 49.6 | 35% | 0.35 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 155 | 179 | 71 | 0 | 0 | 0 | 0 | 113.4 | V434 L504 | V434-S436 WeakPolarHBondContact CG1-O 3.28Å; V434-S436 PolarHBondContact O-N 3.21Å; S436-L504 CarbonylContact C-O 3.42Å; S436-L504 WeakPolarHBondContact CA-O 3.38Å; S436-L504 WeakPolarHBondContact CB-O 3.26Å |
| 437 | S | 94.8 | Very high | 90.8 | Very high | 12 Ų | 12 | 48.6 Ų | 48.6 | 8% | 0.084 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 149.4 | 166.6 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | V425 I439 P503 L504 | V425-S437 WeakPolarHBondContact O-CB 3.43Å; V425-S437 PolarHBondContact O-OG 2.68Å; S437-I439 PolarHBondContact OG-N 2.94Å; S437-P503 CarbonylContact O-C 3.53Å; S437-P503 WeakPolarHBondContact O-CA 3.35Å; S437-L504 PolarHBondContact N-O 3.13Å; S437-L504 PolarHBondContact O-N 2.99Å |
| 438 | D | 95.8 | Very high | 90.1 | Very high | 36 Ų | 36 | 45.6 Ų | 45.6 | 19% | 0.193 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 11.6 | 172.6 | 61.5 | 10.3 | 0 | 0 | 0 | 112.8 | K499 L500 P503 | D438-K499 VanDerWaalsContact CG-CE 3.46Å; D438-K499 WeakPolarHBondContact OD1-CE 3.46Å; D438-K499 IonicContact OD1-NZ 2.71Å; D438-K499 PolarHBondContact OD1-NZ 2.89Å; D438-K499 WeakPolarHBondContact OD2-CE 3.5Å; D438-K499 IonicContact OD2-NZ 3.78Å; D438-K499 PolarHBondContact OD2-NZ 3.07Å; D438-L500 HydrophobicContact CB-CB 4.1Å; D438-L500 WeakPolarHBondContact O-CG 3.46Å; D438-L500 PolarHBondContact O-N 3.43Å; D438-P503 HydrophobicContact CB-CB 4.03Å |
| 439 | I | 96.2 | Very high | 89.3 | Confident | 26 Ų | 26 | 55.1 Ų | 55.1 | 13% | 0.133 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 120.9 | -177.1 | -51.2 | -178.9 | 0 | 0 | 0 | 109.7 | V425 K427 S437 I497 F627 | V425-I439 HydrophobicContact CG2-CB 4.08Å; V425-I439 HydrophobicContact CG2-CG2 3.75Å; V425-I439 PolarHBondContact N-O 3.1Å; K427-I439 HydrophobicContact CB-CD1 4.18Å; S437-I439 PolarHBondContact OG-N 2.94Å; I439-I497 HydrophobicContact CG2-CG2 3.7Å; I439-F627 HydrophobicContact CD1-CZ 4.39Å; I439-F627 HydrophobicContact CG2-CE1 4.48Å; I439-F627 HydrophobicContact CG2-CZ 3.96Å |
| 440 | V | 97.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 132.8 | 174.8 | 174 | 0 | 0 | 0 | 0 | 110.4 | V408 S423 L424 L498 L500 | V408-V440 HydrophobicContact CG2-CB 4.47Å; V408-V440 HydrophobicContact CG2-CG1 3.46Å; V408-V440 VanDerWaalsContact CG2-CG1 3.46Å; V408-V440 HydrophobicContact CG2-CG2 4.13Å; S423-V440 CarbonylContact O-C 3.54Å; S423-V440 VanDerWaalsContact O-CA 3.24Å; S423-V440 WeakPolarHBondContact O-CA 3.33Å; L424-V440 HydrophobicContact CD1-CG2 4.13Å; V440-L498 HydrophobicContact CB-CB 4.24Å; V440-L498 HydrophobicContact CB-CD1 4.1Å; V440-L498 HydrophobicContact CG1-CD1 3.95Å; V440-L498 PolarHBondContact N-O 3.22Å; V440-L498 WeakPolarHBondContact O-CD1 3.23Å; V440-L498 PolarHBondContact O-N 2.9Å; V440-L500 HydrophobicContact CG2-CD1 4.02Å; V440-L500 HydrophobicContact CG2-CD2 4.19Å; V440-L500 HydrophobicContact CG2-CG 4.16Å |
| 441 | L | 97 | Very high | 88.7 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 143.8 | 168.4 | -58.3 | -176 | 0 | 0 | 0 | 111.2 | G422 S423 V425 I497 L515 V597 I620 V623 | G422-L441 CarbonylContact C-O 3.5Å; G422-L441 WeakPolarHBondContact CA-O 3.47Å; S423-L441 PolarHBondContact N-O 3.18Å; S423-L441 PolarHBondContact O-N 2.71Å; V425-L441 HydrophobicContact CB-CD1 4.48Å; V425-L441 HydrophobicContact CB-CG 4.43Å; V425-L441 HydrophobicContact CG1-CB 4.43Å; V425-L441 HydrophobicContact CG1-CD1 3.66Å; V425-L441 HydrophobicContact CG1-CG 3.74Å; V425-L441 HydrophobicContact CG2-CD1 4.25Å; V425-L441 HydrophobicContact CG2-CD2 4.34Å; V425-L441 HydrophobicContact CG2-CG 3.84Å; L441-I497 HydrophobicContact CD2-CB 4.43Å; L441-I497 HydrophobicContact CD2-CD1 4.12Å; L441-I497 HydrophobicContact CD2-CG1 3.78Å; L441-I497 HydrophobicContact CD2-CG2 4.31Å; L441-L515 HydrophobicContact CD1-CD2 4.05Å; L441-V597 HydrophobicContact CB-CG2 4.43Å; L441-I620 HydrophobicContact CD1-CD1 3.7Å; L441-V623 HydrophobicContact CD1-CG1 4.09Å; L441-V623 HydrophobicContact CD1-CG2 4.02Å; L441-V623 HydrophobicContact CD2-CG1 3.89Å; L441-V623 HydrophobicContact CD2-CG2 4.13Å |
| 442 | T | 96.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | -171.7 | 173.4 | -167.8 | 0 | 0 | 0 | 0 | 109.8 | I410 I421 C446 F447 V495 A496 L498 G581 | I410-T442 HydrophobicContact CD1-CG2 3.67Å; I421-T442 PolarHBondContact O-OG1 2.67Å; T442-C446 HydrophobicContact CG2-CB 4.45Å; T442-C446 PolarHBondContact OG1-SG 2.99Å; T442-C446 VanDerWaalsContact OG1-SG 3.33Å; T442-F447 HydrophobicContact CG2-CE2 3.85Å; T442-F447 HydrophobicContact CG2-CZ 4.48Å; T442-V495 CarbonylContact O-C 3.55Å; T442-V495 WeakPolarHBondContact O-CA 3.5Å; T442-A496 HydrophobicContact CG2-CB 3.92Å; T442-A496 PolarHBondContact N-O 3.1Å; T442-A496 PolarHBondContact O-N 2.77Å; T442-L498 HydrophobicContact CG2-CD1 3.54Å; T442-G581 WeakPolarHBondContact OG1-CA 3.45Å |
| 443 | A | 95.2 | Very high | 88.6 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.008 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 144 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | E445 C446 L580 G581 L599 | A443-E445 PolarHBondContact O-N 2.87Å; A443-C446 WeakPolarHBondContact O-CB 3.44Å; A443-C446 PolarHBondContact O-N 3.37Å; A443-C446 VanDerWaalsContact O-N 3.17Å; A443-C446 PolarHBondContact O-SG 3.27Å; A443-L580 HydrophobicContact CB-CD1 3.65Å; A443-L580 HydrophobicContact CB-CG 4.01Å; A443-G581 VanDerWaalsContact N-CA 3.33Å; A443-L599 HydrophobicContact CB-CD2 3.61Å |
| 444 | A | 93.2 | Very high | 88.8 | Confident | 5 Ų | 5 | 57.2 Ų | 57.2 | 4% | 0.041 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -62.5 | -31 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | C446 F447 L481 A493 G494 A496 L635 | A444-C446 PolarHBondContact O-N 2.97Å; A444-C446 VanDerWaalsContact O-N 3.1Å; A444-F447 PolarHBondContact O-N 2.84Å; A444-L481 HydrophobicContact CB-CB 4.48Å; A444-L481 HydrophobicContact CB-CD2 4.2Å; A444-A493 HydrophobicContact CB-CB 4.19Å; A444-G494 WeakPolarHBondContact CB-O 3.21Å; A444-G494 PolarHBondContact N-O 2.93Å; A444-A496 HydrophobicContact CB-CB 4.43Å; A444-L635 HydrophobicContact CB-CD1 3.77Å |
| 445 | E | 91.7 | Very high | 89.1 | Confident | 123 Ų | 123 | 56.8 Ų | 56.8 | 58% | 0.575 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -61.3 | -19.8 | 177.6 | -173.5 | 169.4 | -169.8 | 0 | 0 | 113.4 | A443 F447 G448 A493 L580 | A443-E445 PolarHBondContact O-N 2.87Å; E445-F447 PolarHBondContact O-N 3.32Å; E445-F447 VanDerWaalsContact O-N 3.14Å; E445-G448 PolarHBondContact O-N 2.81Å; E445-A493 HydrophobicContact CB-CB 4.11Å; E445-L580 HydrophobicContact CB-CD1 4.49Å; E445-L580 HydrophobicContact CB-CD2 4.12Å; E445-L580 HydrophobicContact CG-CD2 4.11Å |
| 446 | C | 91.8 | Very high | 89.5 | Confident | 4 Ų | 4 | 53.4 Ų | 53.4 | 3% | 0.027 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -57.5 | -28.1 | 175.4 | -62.7 | 0 | 0 | 0 | 0 | 114.2 | C420 T442 A443 A444 | C420-C446 HydrophobicContact CB-CB 3.78Å; C420-C446 WeakPolarHBondContact CB-SG 3.13Å; C420-C446 WeakPolarHBondContact SG-CA 3.31Å; C420-C446 WeakPolarHBondContact SG-CB 3.45Å; C420-C446 CovalentContact SG-SG 2.01Å; C420-C446 PolarHBondContact SG-SG 2.91Å; T442-C446 HydrophobicContact CG2-CB 4.45Å; T442-C446 PolarHBondContact OG1-SG 2.99Å; T442-C446 VanDerWaalsContact OG1-SG 3.33Å; A443-C446 WeakPolarHBondContact O-CB 3.44Å; A443-C446 PolarHBondContact O-N 3.37Å; A443-C446 VanDerWaalsContact O-N 3.17Å; A443-C446 PolarHBondContact O-SG 3.27Å; A444-C446 PolarHBondContact O-N 2.97Å; A444-C446 VanDerWaalsContact O-N 3.1Å |
| 447 | F | 89.8 | Confident | 89.7 | Confident | 7 Ų | 7 | 51 Ų | 51 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -41.1 | -177 | -63.8 | -87.5 | 0 | 0 | 0 | 111.8 | T442 A444 E445 R449 R450 L455 I476 V479 L481 A496 L498 | T442-F447 HydrophobicContact CG2-CE2 3.85Å; T442-F447 HydrophobicContact CG2-CZ 4.48Å; A444-F447 PolarHBondContact O-N 2.84Å; E445-F447 PolarHBondContact O-N 3.32Å; E445-F447 VanDerWaalsContact O-N 3.14Å; F447-R449 PolarHBondContact O-N 3.06Å; F447-R450 VanDerWaalsContact O-CB 3.29Å; F447-R450 WeakPolarHBondContact O-CB 3.34Å; F447-R450 PolarHBondContact O-N 2.92Å; F447-L455 HydrophobicContact CD1-CD1 3.47Å; F447-L455 VanDerWaalsContact CD1-CD1 3.47Å; F447-L455 HydrophobicContact CE1-CD1 3.52Å; F447-L455 HydrophobicContact CG-CD1 4.39Å; F447-L455 HydrophobicContact CZ-CD1 4.48Å; F447-I476 HydrophobicContact CE1-CD1 4.47Å; F447-V479 HydrophobicContact CD1-CG1 4.13Å; F447-V479 HydrophobicContact CD1-CG2 4.27Å; F447-V479 HydrophobicContact CD2-CG1 4.1Å; F447-V479 HydrophobicContact CE1-CB 4.33Å; F447-V479 HydrophobicContact CE1-CG1 3.84Å; F447-V479 HydrophobicContact CE1-CG2 3.58Å; F447-V479 HydrophobicContact CE2-CG1 3.8Å; F447-V479 HydrophobicContact CG-CG1 4.26Å; F447-V479 HydrophobicContact CZ-CB 4.47Å; F447-V479 HydrophobicContact CZ-CG1 3.66Å; F447-V479 HydrophobicContact CZ-CG2 3.9Å; F447-L481 HydrophobicContact CB-CD1 4.46Å; F447-L481 HydrophobicContact CB-CD2 4.21Å; F447-L481 HydrophobicContact CD2-CD2 3.56Å; F447-L481 HydrophobicContact CE2-CD2 4.23Å; F447-L481 HydrophobicContact CG-CD2 3.98Å; F447-A496 HydrophobicContact CD2-CB 4.13Å; F447-A496 HydrophobicContact CE2-CB 3.72Å; F447-L498 HydrophobicContact CE1-CD2 4.48Å; F447-L498 HydrophobicContact CE2-CD1 4.47Å; F447-L498 HydrophobicContact CZ-CD1 4.12Å; F447-L498 HydrophobicContact CZ-CD2 3.81Å; F447-L498 HydrophobicContact CZ-CG 3.85Å |
| 448 | G | 73.8 | Confident | 89.7 | Confident | 56 Ų | 56 | 50.9 Ų | 50.9 | 58% | 0.577 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | -129.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E445 R450 | E445-G448 PolarHBondContact O-N 2.81Å; G448-R450 VanDerWaalsContact C-N 3.33Å; G448-R450 PolarHBondContact O-N 2.78Å |
| 449 | R | 69.3 | Low | 89.6 | Confident | 235 Ų | 235 | 49.3 Ų | 49.3 | 89% | 0.887 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | 27.7 | 173.7 | -58.7 | -173.3 | -176.4 | 179.6 | -0.4 | 114.2 | F447 | F447-R449 PolarHBondContact O-N 3.06Š|
| 450 | R | 73.7 | Confident | 89.3 | Confident | 110 Ų | 110 | 48.8 Ų | 48.8 | 42% | 0.415 | 23% | 0.23 | S | C | . | . | trans | -116.5 | 122.2 | -173.3 | -56.9 | -176.2 | -176.3 | 83.7 | 9.9 | 112.5 | F447 G448 H452 | F447-R450 VanDerWaalsContact O-CB 3.29Å; F447-R450 WeakPolarHBondContact O-CB 3.34Å; F447-R450 PolarHBondContact O-N 2.92Å; G448-R450 VanDerWaalsContact C-N 3.33Å; G448-R450 PolarHBondContact O-N 2.78Å; R450-H452 PolarHBondContact O-N 3.07Å | ||
| 451 | K | 82.6 | Confident | 88.8 | Confident | 133 Ų | 133 | 50 Ų | 50 | 58% | 0.578 | 24% | 0.238 | S | C | * | . | trans | -53.9 | 134.1 | 166.5 | -60.8 | -165.9 | 176.5 | -167.7 | 0 | 110.6 | S453 R454 | K451-S453 PolarHBondContact O-N 2.85Å; K451-S453 VanDerWaalsContact O-N 3.07Å; K451-R454 WeakPolarHBondContact O-CB 3.47Å; K451-R454 PolarHBondContact O-N 2.73Å | ||
| 452 | H | 84.9 | Confident | 87.9 | Confident | 75 Ų | 75 | 51.3 Ų | 51.3 | 35% | 0.347 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -53.9 | -29.8 | -178.6 | 60.9 | -94.6 | 0 | 0 | 0 | 113.2 | R450 R454 L455 I476 V479 | R450-H452 PolarHBondContact O-N 3.07Å; H452-R454 PolarHBondContact O-N 2.86Å; H452-R454 VanDerWaalsContact O-N 3.07Å; H452-L455 PolarHBondContact O-N 2.84Å; H452-I476 HydrophobicContact CB-CG2 4.29Å; H452-V479 HydrophobicContact CB-CG2 3.54Å |
| 453 | S | 86.7 | Confident | 87.1 | Confident | 56 Ų | 56 | 57.6 Ų | 57.6 | 39% | 0.392 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -57.2 | -22.6 | 175.7 | 65.3 | 0 | 0 | 0 | 0 | 114.3 | K451 R456 | K451-S453 PolarHBondContact O-N 2.85Å; K451-S453 VanDerWaalsContact O-N 3.07Å; S453-R456 PolarHBondContact O-NH1 2.74Å |
| 454 | R | 91 | Very high | 86.7 | Confident | 170 Ų | 170 | 57.6 Ų | 57.6 | 64% | 0.642 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -86.4 | 0.1 | 174.8 | -63.1 | -175.8 | 172.3 | -177.2 | -3 | 113.9 | R413 K451 H452 | R413-R454 WeakPolarHBondContact CB-O 3.03Å; R413-R454 PolarHBondContact N-O 2.8Å; K451-R454 WeakPolarHBondContact O-CB 3.47Å; K451-R454 PolarHBondContact O-N 2.73Å; H452-R454 PolarHBondContact O-N 2.86Å; H452-R454 VanDerWaalsContact O-N 3.07Å |
| 455 | L | 93 | Very high | 86.2 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 159.4 | 180 | -62.2 | 176.9 | 0 | 0 | 0 | 112.6 | I410 T411 T412 F447 H452 I476 | I410-L455 HydrophobicContact CG2-CD1 4.29Å; T411-L455 CarbonylContact O-C 3.44Å; T411-L455 WeakPolarHBondContact O-CA 3.48Å; T411-L455 WeakPolarHBondContact O-CD2 3.46Å; T412-L455 HydrophobicContact CG2-CD2 4.27Å; F447-L455 HydrophobicContact CD1-CD1 3.47Å; F447-L455 VanDerWaalsContact CD1-CD1 3.47Å; F447-L455 HydrophobicContact CE1-CD1 3.52Å; F447-L455 HydrophobicContact CG-CD1 4.39Å; F447-L455 HydrophobicContact CZ-CD1 4.48Å; H452-L455 PolarHBondContact O-N 2.84Å; L455-I476 HydrophobicContact CB-CD1 3.75Å |
| 456 | R | 93.9 | Very high | 85.5 | Confident | 22 Ų | 22 | 59.3 Ų | 59.3 | 8% | 0.083 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 143.4 | 176.4 | -67.1 | -62.4 | -178.5 | -88.6 | 6.1 | 110.4 | T411 R413 S453 Y458 | T411-R456 PolarHBondContact N-O 3.37Å; T411-R456 PolarHBondContact O-N 3.07Å; T411-R456 PolarHBondContact OG1-O 3.42Å; T411-R456 VanDerWaalsContact OG1-O 3.11Å; R413-R456 HydrophobicContact CB-CG 4.37Å; S453-R456 PolarHBondContact O-NH1 2.74Å; R456-Y458 HydrophobicContact CB-CE2 3.99Å |
| 457 | V | 95.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 139.9 | 176.5 | -177.8 | 0 | 0 | 0 | 0 | 109.1 | V408 I409 K473 V474 I476 L498 L500 | V408-V457 HydrophobicContact CB-CG1 3.7Å; V408-V457 HydrophobicContact CG1-CG1 4.23Å; V408-V457 HydrophobicContact CG2-CG1 3.81Å; I409-V457 WeakPolarHBondContact O-CA 3.4Å; V457-K473 WeakPolarHBondContact O-CA 3.44Å; V457-V474 PolarHBondContact N-O 2.94Å; V457-V474 VanDerWaalsContact N-O 3.13Å; V457-V474 PolarHBondContact O-N 2.9Å; V457-I476 HydrophobicContact CG2-CD1 4.17Å; V457-I476 HydrophobicContact CG2-CG1 3.84Å; V457-L498 HydrophobicContact CG2-CD2 4.09Å; V457-L500 HydrophobicContact CB-CD2 4.11Å; V457-L500 HydrophobicContact CG1-CD2 4.35Å; V457-L500 HydrophobicContact CG2-CD2 3.83Å |
| 458 | Y | 95.1 | Very high | 84.2 | Confident | 9 Ų | 9 | 75.2 Ų | 75.2 | 4% | 0.035 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 136.3 | 174.8 | -74.4 | -95.4 | 0 | 0 | 0 | 109.5 | V408 I409 T411 R456 F464 R469 A472 K473 | V408-Y458 CarbonylContact C-O 3.57Å; V408-Y458 VanDerWaalsContact CA-O 3.3Å; V408-Y458 WeakPolarHBondContact CA-O 3.42Å; I409-Y458 PolarHBondContact N-O 3.26Å; I409-Y458 PolarHBondContact O-N 2.81Å; T411-Y458 HydrophobicContact CG2-CD2 3.93Å; T411-Y458 HydrophobicContact CG2-CE2 4.34Å; T411-Y458 WeakPolarHBondContact OG1-CE2 3.43Å; R456-Y458 HydrophobicContact CB-CE2 3.99Å; Y458-F464 HydrophobicContact CD1-CD2 4.08Å; Y458-F464 AromaticContact CD1-CE2 3.7Å; Y458-F464 HydrophobicContact CD1-CE2 3.7Å; Y458-F464 HydrophobicContact CD2-CD2 4.35Å; Y458-F464 AromaticContact CD2-CE2 3.59Å; Y458-F464 HydrophobicContact CD2-CE2 3.59Å; Y458-F464 HydrophobicContact CD2-CZ 4.16Å; Y458-F464 AromaticContact CE1-CE2 3.88Å; Y458-F464 HydrophobicContact CE1-CE2 3.88Å; Y458-F464 AromaticContact CE2-CE2 3.78Å; Y458-F464 HydrophobicContact CE2-CE2 3.78Å; Y458-F464 HydrophobicContact CE2-CZ 4.16Å; Y458-F464 AromaticContact CG-CD2 3.93Å; Y458-F464 HydrophobicContact CG-CD2 3.93Å; Y458-F464 AromaticContact CG-CE2 3.55Å; Y458-F464 HydrophobicContact CG-CE2 3.55Å; Y458-F464 AromaticContact CZ-CE2 3.92Å; Y458-R469 HydrophobicContact CE1-CB 3.76Å; Y458-R469 WeakPolarHBondContact CE1-O 3.5Å; Y458-R469 WeakPolarHBondContact OH-CD 3.41Å; Y458-A472 WeakPolarHBondContact CA-O 3.44Å; Y458-K473 HydrophobicContact CD1-CB 3.99Å; Y458-K473 HydrophobicContact CD1-CG 4.4Å; Y458-K473 HydrophobicContact CE1-CB 3.59Å; Y458-K473 HydrophobicContact CE1-CD 4.12Å; Y458-K473 HydrophobicContact CE1-CG 3.73Å; Y458-K473 HydrophobicContact CE2-CG 4.21Å; Y458-K473 WeakPolarHBondContact OH-CD 3.38Å; Y458-K473 WeakPolarHBondContact OH-CE 3.28Å |
| 459 | A | 93.9 | Very high | 84.7 | Confident | 3 Ų | 3 | 76.8 Ų | 76.8 | 3% | 0.025 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 170.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V408 S461 G471 A472 L504 V510 | V408-A459 HydrophobicContact CB-CB 4.42Å; V408-A459 HydrophobicContact CG1-CB 3.75Å; A459-S461 VanDerWaalsContact C-N 3.32Å; A459-S461 PolarHBondContact O-N 2.96Å; A459-G471 CarbonylContact O-C 3.57Å; A459-G471 WeakPolarHBondContact O-CA 3.29Å; A459-A472 PolarHBondContact N-O 3.43Å; A459-A472 VanDerWaalsContact N-O 3.1Å; A459-A472 PolarHBondContact O-N 3.38Å; A459-L504 HydrophobicContact CB-CD1 3.62Å; A459-L504 HydrophobicContact CB-CD2 4.46Å; A459-V510 HydrophobicContact CB-CG1 3.77Å |
| 460 | G | 89.3 | Confident | 85.3 | Confident | 16 Ų | 16 | 72.1 Ų | 72.1 | 17% | 0.165 | 32% | 0.315 | C | S | . | . | S | Bend | trans | 68.3 | 20.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | D508 N509 | G460-D508 WeakPolarHBondContact CA-O 3.48Å; G460-N509 WeakPolarHBondContact CA-O 3.13Å |
| 461 | S | 87 | Confident | 86 | Confident | 24 Ų | 24 | 68.5 Ų | 68.5 | 17% | 0.168 | 31% | 0.312 | C | S | . | . | trans | -149.3 | 124.3 | 171.9 | -163.1 | 0 | 0 | 0 | 0 | 111.4 | A459 R463 | A459-S461 VanDerWaalsContact C-N 3.32Å; A459-S461 PolarHBondContact O-N 2.96Å; S461-R463 PolarHBondContact O-N 2.89Å | ||
| 462 | P | 78.1 | Confident | 86.5 | Confident | 28 Ų | 28 | 63.1 Ų | 63.1 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -69.2 | -16.5 | -178.2 | 27.8 | -35.6 | 0 | 0 | 0 | 113.3 | M403 R539 I540 | M403-P462 HydrophobicContact CB-CB 4.3Å; M403-P462 HydrophobicContact CG-CB 4.26Å; P462-R539 CarbonylContact O-C 3.55Å; P462-R539 WeakPolarHBondContact O-CA 3.19Å; P462-R539 VanDerWaalsContact O-CB 3.3Å; P462-R539 WeakPolarHBondContact O-CB 3.48Å; P462-I540 PolarHBondContact O-N 3.23Å |
| 463 | R | 80.8 | Confident | 87 | Confident | 132 Ų | 132 | 65.6 Ų | 65.6 | 50% | 0.498 | 30% | 0.302 | S | S | . | . | B | Isolated β-bridge | trans | -113.7 | 112.2 | -179.5 | -67.2 | -173.4 | -175.6 | 156.5 | 8.9 | 112 | S461 H538 R539 | S461-R463 PolarHBondContact O-N 2.89Å; R463-H538 CarbonylContact C-O 3.6Å; R463-H538 VanDerWaalsContact CA-O 3.3Å; R463-H538 WeakPolarHBondContact CA-O 3.1Å; R463-R539 HydrophobicContact CG-CB 4.27Å |
| 464 | F | 85.2 | Confident | 87.4 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 0% | 0.004 | 29% | 0.285 | C | S | . | . | trans | -123.4 | 119.8 | 174.4 | 179.9 | -86.7 | 0 | 0 | 0 | 110.9 | I409 T411 Y458 R469 Y533 H538 | I409-F464 HydrophobicContact CD1-CB 3.41Å; I409-F464 VanDerWaalsContact CD1-CB 3.41Å; I409-F464 HydrophobicContact CD1-CG 4.03Å; I409-F464 HydrophobicContact CG2-CD1 4.19Å; I409-F464 HydrophobicContact CG2-CG 4.35Å; T411-F464 HydrophobicContact CG2-CD1 4.43Å; T411-F464 HydrophobicContact CG2-CE1 3.67Å; T411-F464 HydrophobicContact CG2-CE2 4.22Å; T411-F464 HydrophobicContact CG2-CZ 3.56Å; Y458-F464 HydrophobicContact CD1-CD2 4.08Å; Y458-F464 AromaticContact CD1-CE2 3.7Å; Y458-F464 HydrophobicContact CD1-CE2 3.7Å; Y458-F464 HydrophobicContact CD2-CD2 4.35Å; Y458-F464 AromaticContact CD2-CE2 3.59Å; Y458-F464 HydrophobicContact CD2-CE2 3.59Å; Y458-F464 HydrophobicContact CD2-CZ 4.16Å; Y458-F464 AromaticContact CE1-CE2 3.88Å; Y458-F464 HydrophobicContact CE1-CE2 3.88Å; Y458-F464 AromaticContact CE2-CE2 3.78Å; Y458-F464 HydrophobicContact CE2-CE2 3.78Å; Y458-F464 HydrophobicContact CE2-CZ 4.16Å; Y458-F464 AromaticContact CG-CD2 3.93Å; Y458-F464 HydrophobicContact CG-CD2 3.93Å; Y458-F464 AromaticContact CG-CE2 3.55Å; Y458-F464 HydrophobicContact CG-CE2 3.55Å; Y458-F464 AromaticContact CZ-CE2 3.92Å; F464-R469 HydrophobicContact CE2-CB 3.74Å; F464-R469 HydrophobicContact CE2-CG 4.09Å; F464-R469 HydrophobicContact CZ-CB 4.22Å; F464-R469 HydrophobicContact CZ-CG 4.04Å; F464-Y533 HydrophobicContact CB-CE2 4.35Å; F464-Y533 WeakPolarHBondContact O-CE2 3.46Å; F464-Y533 PolarHBondContact O-OH 2.99Å; F464-H538 CarbonylContact C-O 3.33Å; F464-H538 PolarHBondContact N-O 2.8Å; F464-H538 WeakPolarHBondContact O-CB 3.16Å | ||
| 465 | S | 82.5 | Confident | 87.6 | Confident | 19 Ų | 19 | 60.3 Ų | 60.3 | 13% | 0.133 | 28% | 0.277 | C | S | . | . | trans | -121.5 | 156.8 | 170.6 | 67.7 | 0 | 0 | 0 | 0 | 110.7 | L467 R468 R469 H538 | S465-L467 PolarHBondContact O-N 3.14Å; S465-L467 VanDerWaalsContact O-N 3.15Å; S465-R468 PolarHBondContact N-O 3.02Å; S465-R468 VanDerWaalsContact N-O 3.15Å; S465-R468 CarbonylContact O-C 3.26Å; S465-R468 PolarHBondContact O-N 3.25Å; S465-R468 WeakPolarHBondContact OG-CA 3.39Å; S465-R468 WeakPolarHBondContact OG-CB 3.37Å; S465-R468 PolarHBondContact OG-N 3.18Å; S465-R468 PolarHBondContact OG-O 3.22Å; S465-R469 PolarHBondContact O-N 2.86Å; S465-H538 WeakPolarHBondContact CB-CD2 3.31Å | ||
| 466 | R | 78.4 | Confident | 87.7 | Confident | 145 Ų | 145 | 60.9 Ų | 60.9 | 55% | 0.547 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -58 | -32.7 | -179.8 | -56.8 | -172 | -175.5 | 170.2 | 3.5 | 112.9 | R469 | R466-R469 WeakPolarHBondContact O-CG 3.41Å; R466-R469 PolarHBondContact O-NE 2.93Å |
| 467 | L | 79.1 | Confident | 87.8 | Confident | 169 Ų | 169 | 62.2 Ų | 62.2 | 89% | 0.885 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -81.1 | -56.7 | 177.5 | -65.5 | 166.7 | 0 | 0 | 0 | 111.2 | S465 R469 | S465-L467 PolarHBondContact O-N 3.14Å; S465-L467 VanDerWaalsContact O-N 3.15Å; L467-R469 PolarHBondContact O-N 3.24Å |
| 468 | R | 75.5 | Confident | 87.7 | Confident | 176 Ų | 176 | 64.9 Ų | 64.9 | 66% | 0.664 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -100.7 | 83.9 | 178.8 | -59.2 | -179 | 173.2 | -162.5 | -5.5 | 109.2 | S465 R470 | S465-R468 PolarHBondContact N-O 3.02Å; S465-R468 VanDerWaalsContact N-O 3.15Å; S465-R468 CarbonylContact O-C 3.26Å; S465-R468 PolarHBondContact O-N 3.25Å; S465-R468 WeakPolarHBondContact OG-CA 3.39Å; S465-R468 WeakPolarHBondContact OG-CB 3.37Å; S465-R468 PolarHBondContact OG-N 3.18Å; S465-R468 PolarHBondContact OG-O 3.22Å; R468-R470 PolarHBondContact O-N 3.3Å |
| 469 | R | 82.9 | Confident | 87.6 | Confident | 89 Ų | 89 | 65.9 Ų | 65.9 | 34% | 0.336 | 32% | 0.321 | S | S | . | . | trans | -79.4 | 63.4 | -178.2 | -55.5 | -177.5 | -170.2 | -170.4 | 2 | 111.3 | R413 V414 Y458 F464 S465 R466 L467 | R413-R469 PolarHBondContact O-NH1 3.2Å; R413-R469 VanDerWaalsContact O-NH1 3.13Å; V414-R469 PolarHBondContact O-NH2 2.87Å; Y458-R469 HydrophobicContact CE1-CB 3.76Å; Y458-R469 WeakPolarHBondContact CE1-O 3.5Å; Y458-R469 WeakPolarHBondContact OH-CD 3.41Å; F464-R469 HydrophobicContact CE2-CB 3.74Å; F464-R469 HydrophobicContact CE2-CG 4.09Å; F464-R469 HydrophobicContact CZ-CB 4.22Å; F464-R469 HydrophobicContact CZ-CG 4.04Å; S465-R469 PolarHBondContact O-N 2.86Å; R466-R469 WeakPolarHBondContact O-CG 3.41Å; R466-R469 PolarHBondContact O-NE 2.93Å; L467-R469 PolarHBondContact O-N 3.24Å | ||
| 470 | R | 83.3 | Confident | 87.4 | Confident | 138 Ų | 138 | 70 Ų | 70 | 52% | 0.521 | 34% | 0.343 | S | S | . | . | trans | -70.2 | 163.6 | -177.7 | -65.4 | -178.7 | 168.2 | -166.8 | -6.5 | 111.9 | R468 | R468-R470 PolarHBondContact O-N 3.3Š| ||
| 471 | G | 88.6 | Confident | 87.5 | Confident | 34 Ų | 34 | 71.3 Ų | 71.3 | 35% | 0.351 | 35% | 0.346 | S | S | . | . | S | Bend | trans | 93.6 | 167.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114 | A459 K473 | A459-G471 CarbonylContact O-C 3.57Å; A459-G471 WeakPolarHBondContact O-CA 3.29Å; G471-K473 PolarHBondContact O-N 3.14Å |
| 472 | A | 92.5 | Very high | 87.6 | Confident | 20 Ų | 20 | 71.3 Ų | 71.3 | 17% | 0.165 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 114.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y458 A459 L504 D508 | Y458-A472 WeakPolarHBondContact CA-O 3.44Å; A459-A472 PolarHBondContact N-O 3.43Å; A459-A472 VanDerWaalsContact N-O 3.1Å; A459-A472 PolarHBondContact O-N 3.38Å; A472-L504 HydrophobicContact CB-CD2 3.69Å; A472-D508 HydrophobicContact CB-CB 3.79Å; A472-D508 WeakPolarHBondContact CB-OD1 3.48Å |
| 473 | K | 94.2 | Very high | 87.7 | Confident | 127 Ų | 127 | 70 Ų | 70 | 55% | 0.552 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 121.4 | -178.1 | 178.8 | -169.7 | -179 | -171.6 | 0 | 110.8 | V457 Y458 G471 | V457-K473 WeakPolarHBondContact O-CA 3.44Å; Y458-K473 HydrophobicContact CD1-CB 3.99Å; Y458-K473 HydrophobicContact CD1-CG 4.4Å; Y458-K473 HydrophobicContact CE1-CB 3.59Å; Y458-K473 HydrophobicContact CE1-CD 4.12Å; Y458-K473 HydrophobicContact CE1-CG 3.73Å; Y458-K473 HydrophobicContact CE2-CG 4.21Å; Y458-K473 WeakPolarHBondContact OH-CD 3.38Å; Y458-K473 WeakPolarHBondContact OH-CE 3.28Å; G471-K473 PolarHBondContact O-N 3.14Å |
| 474 | V | 95.2 | Very high | 87.4 | Confident | 5 Ų | 5 | 64.3 Ų | 64.3 | 3% | 0.03 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 147.5 | -178.9 | -163.1 | 0 | 0 | 0 | 0 | 111.8 | V457 L500 R502 L504 | V457-V474 PolarHBondContact N-O 2.94Å; V457-V474 VanDerWaalsContact N-O 3.13Å; V457-V474 PolarHBondContact O-N 2.9Å; V474-L500 HydrophobicContact CG1-CB 3.91Å; V474-L500 HydrophobicContact CG1-CD1 4.36Å; V474-L500 HydrophobicContact CG1-CD2 4.43Å; V474-L500 HydrophobicContact CG1-CG 4.47Å; V474-R502 HydrophobicContact CG1-CB 4.21Å; V474-L504 HydrophobicContact CG2-CD2 3.56Å; V474-L504 HydrophobicContact CG2-CG 4.05Å |
| 475 | K | 96.1 | Very high | 86.6 | Confident | 109 Ų | 109 | 66.8 Ų | 66.8 | 47% | 0.474 | 33% | 0.329 | S | S | . | . | trans | -85.1 | 148.3 | 171.1 | -71.7 | 170.6 | 178.1 | 174.6 | 0 | 109.3 | Q501 | K475-Q501 HydrophobicContact CB-CB 4.05Å; K475-Q501 PolarHBondContact O-N 2.92Å | ||
| 476 | I | 95.9 | Very high | 85.7 | Confident | 12 Ų | 12 | 68.3 Ų | 68.3 | 6% | 0.062 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 126.8 | 174.1 | -56.7 | 162.1 | 0 | 0 | 0 | 107 | F447 H452 L455 V457 S478 V479 L498 | F447-I476 HydrophobicContact CE1-CD1 4.47Å; H452-I476 HydrophobicContact CB-CG2 4.29Å; L455-I476 HydrophobicContact CB-CD1 3.75Å; V457-I476 HydrophobicContact CG2-CD1 4.17Å; V457-I476 HydrophobicContact CG2-CG1 3.84Å; I476-S478 WeakPolarHBondContact CG2-O 3.14Å; I476-V479 HydrophobicContact CG2-CG2 3.46Å; I476-V479 VanDerWaalsContact CG2-CG2 3.46Å; I476-L498 HydrophobicContact CD1-CD2 3.65Å; I476-L498 HydrophobicContact CG1-CD2 3.77Å; I476-L498 HydrophobicContact CG2-CB 4.31Å; I476-L498 HydrophobicContact CG2-CD2 4.07Å; I476-L498 HydrophobicContact CG2-CG 4.49Å |
| 477 | A | 95 | Very high | 84.5 | Confident | 51 Ų | 51 | 67.3 Ų | 67.3 | 42% | 0.421 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | -48.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | K499 Q501 | A477-K499 PolarHBondContact N-O 2.89Å; A477-Q501 HydrophobicContact CB-CB 4.22Å |
| 478 | S | 93.9 | Very high | 83.3 | Confident | 55 Ų | 55 | 65.7 Ų | 65.7 | 39% | 0.385 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 162.5 | 175.3 | 65 | 0 | 0 | 0 | 0 | 111.4 | I476 K499 | I476-S478 WeakPolarHBondContact CG2-O 3.14Å; S478-K499 PolarHBondContact N-O 2.69Å; S478-K499 PolarHBondContact O-N 3.25Å; S478-K499 WeakPolarHBondContact OG-CB 3.27Å |
| 479 | V | 91.9 | Very high | 82.5 | Confident | 30 Ų | 30 | 66.9 Ų | 66.9 | 18% | 0.182 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 130.2 | 177.9 | -178.2 | 0 | 0 | 0 | 0 | 108.2 | F447 H452 I476 L481 A496 I497 L498 | F447-V479 HydrophobicContact CD1-CG1 4.13Å; F447-V479 HydrophobicContact CD1-CG2 4.27Å; F447-V479 HydrophobicContact CD2-CG1 4.1Å; F447-V479 HydrophobicContact CE1-CB 4.33Å; F447-V479 HydrophobicContact CE1-CG1 3.84Å; F447-V479 HydrophobicContact CE1-CG2 3.58Å; F447-V479 HydrophobicContact CE2-CG1 3.8Å; F447-V479 HydrophobicContact CG-CG1 4.26Å; F447-V479 HydrophobicContact CZ-CB 4.47Å; F447-V479 HydrophobicContact CZ-CG1 3.66Å; F447-V479 HydrophobicContact CZ-CG2 3.9Å; H452-V479 HydrophobicContact CB-CG2 3.54Å; I476-V479 HydrophobicContact CG2-CG2 3.46Å; I476-V479 VanDerWaalsContact CG2-CG2 3.46Å; V479-L481 HydrophobicContact CG1-CD2 3.56Å; V479-L481 HydrophobicContact CG1-CG 4.15Å; V479-A496 HydrophobicContact CG1-CB 4.44Å; V479-I497 WeakPolarHBondContact CA-O 3.48Å; V479-L498 HydrophobicContact CG2-CG 4.35Å |
| 480 | L | 90.6 | Very high | 81.7 | Confident | 90 Ų | 90 | 71.4 Ų | 71.4 | 47% | 0.471 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 124.9 | 171.7 | -59.1 | 173.4 | 0 | 0 | 0 | 108.1 | Y482 A496 I497 | L480-Y482 HydrophobicContact CB-CE2 3.57Å; L480-Y482 WeakPolarHBondContact CD1-OH 3.32Å; L480-A496 VanDerWaalsContact O-CA 3.25Å; L480-A496 WeakPolarHBondContact O-CA 3.19Å; L480-I497 PolarHBondContact N-O 3.34Å; L480-I497 PolarHBondContact O-N 2.75Å |
| 481 | L | 91.4 | Very high | 81.2 | Confident | 44 Ų | 44 | 69 Ų | 69 | 23% | 0.23 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 110.7 | -176.1 | -60 | -177.9 | 0 | 0 | 0 | 109.7 | A444 F447 V479 A496 T634 L635 | A444-L481 HydrophobicContact CB-CB 4.48Å; A444-L481 HydrophobicContact CB-CD2 4.2Å; F447-L481 HydrophobicContact CB-CD1 4.46Å; F447-L481 HydrophobicContact CB-CD2 4.21Å; F447-L481 HydrophobicContact CD2-CD2 3.56Å; F447-L481 HydrophobicContact CE2-CD2 4.23Å; F447-L481 HydrophobicContact CG-CD2 3.98Å; V479-L481 HydrophobicContact CG1-CD2 3.56Å; V479-L481 HydrophobicContact CG1-CG 4.15Å; L481-A496 HydrophobicContact CD2-CB 3.67Å; L481-T634 WeakPolarHBondContact O-CA 3.45Å; L481-L635 HydrophobicContact CB-CB 4.24Å; L481-L635 HydrophobicContact CB-CD1 4.3Å; L481-L635 PolarHBondContact O-N 2.89Å |
| 482 | Y | 88.1 | Confident | 80.6 | Confident | 23 Ų | 23 | 73 Ų | 73 | 9% | 0.09 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 140.6 | 179.2 | -61.8 | -77.1 | 0 | 0 | 0 | 110.9 | L480 G494 V495 I497 V626 V632 T634 L635 | L480-Y482 HydrophobicContact CB-CE2 3.57Å; L480-Y482 WeakPolarHBondContact CD1-OH 3.32Å; Y482-G494 CarbonylContact O-C 3.54Å; Y482-G494 WeakPolarHBondContact O-CA 3.39Å; Y482-G494 PolarHBondContact O-N 3.28Å; Y482-V495 WeakPolarHBondContact CB-O 3.39Å; Y482-V495 HydrophobicContact CD2-CG2 4.45Å; Y482-V495 PolarHBondContact N-O 3.41Å; Y482-I497 HydrophobicContact CD2-CG1 4.28Å; Y482-I497 HydrophobicContact CE2-CD1 4.09Å; Y482-I497 HydrophobicContact CE2-CG1 3.99Å; Y482-V626 HydrophobicContact CD1-CG2 3.77Å; Y482-V626 HydrophobicContact CD2-CG2 4.01Å; Y482-V626 HydrophobicContact CE1-CG1 4.28Å; Y482-V626 HydrophobicContact CE1-CG2 3.48Å; Y482-V626 VanDerWaalsContact CE1-CG2 3.48Å; Y482-V626 HydrophobicContact CE2-CB 4.4Å; Y482-V626 HydrophobicContact CE2-CG1 3.78Å; Y482-V626 HydrophobicContact CE2-CG2 3.74Å; Y482-V626 HydrophobicContact CG-CG2 4.02Å; Y482-V626 VanDerWaalsContact CZ-CG2 3.47Å; Y482-V626 WeakPolarHBondContact OH-CG1 3.43Å; Y482-V632 HydrophobicContact CD1-CB 3.95Å; Y482-V632 HydrophobicContact CD1-CG1 3.71Å; Y482-V632 HydrophobicContact CE1-CB 4.28Å; Y482-V632 HydrophobicContact CG-CG1 4.3Å; Y482-T634 HydrophobicContact CD1-CG2 4.13Å; Y482-T634 HydrophobicContact CE1-CG2 3.92Å; Y482-L635 WeakPolarHBondContact O-CD1 3.31Å |
| 483 | G | 81.2 | Confident | 80.1 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 152.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I491 R492 P633 | G483-I491 VanDerWaalsContact CA-CG2 3.47Å; G483-R492 CarbonylContact C-O 3.51Å; G483-R492 WeakPolarHBondContact CA-O 3.3Å; G483-P633 PolarHBondContact N-O 2.72Å |
| 484 | L | 74.1 | Confident | 79.8 | Confident | 14 Ų | 14 | 68 Ų | 68 | 7% | 0.073 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 131.8 | 167.2 | -73.1 | 171.6 | 0 | 0 | 0 | 109.4 | W486 I491 R492 F564 L599 I622 | L484-W486 PolarHBondContact O-N 2.86Å; L484-I491 WeakPolarHBondContact O-CA 2.97Å; L484-R492 PolarHBondContact N-O 3.47Å; L484-R492 PolarHBondContact O-N 3.36Å; L484-F564 HydrophobicContact CB-CE2 4.34Å; L484-F564 HydrophobicContact CD1-CE2 4.01Å; L484-L599 HydrophobicContact CD1-CD1 3.37Å; L484-I622 HydrophobicContact CD2-CD1 3.86Å |
| 485 | P | 68.5 | Low | 79.7 | Confident | 52 Ų | 52 | 67.8 Ų | 67.8 | 34% | 0.338 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 125.6 | 163.9 | -20.8 | 32.5 | 0 | 0 | 0 | 109.3 | P562 F564 | P485-P562 HydrophobicContact CB-CB 4.14Å; P485-F564 WeakPolarHBondContact O-CD2 3.32Å |
| 486 | W | 63 | Low | 79.6 | Confident | 52 Ų | 52 | 62.6 Ų | 62.6 | 20% | 0.197 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 152.2 | 172 | -167 | -80.9 | 0 | 0 | 0 | 109.1 | L484 K489 R490 R492 L554 F564 | L484-W486 PolarHBondContact O-N 2.86Å; W486-K489 PolarHBondContact O-N 3.37Å; W486-R490 WeakPolarHBondContact CA-O 3.23Å; W486-R490 WeakPolarHBondContact CB-O 2.88Å; W486-R490 PolarHBondContact N-O 2.88Å; W486-R490 PolarHBondContact O-N 2.8Å; W486-R490 VanDerWaalsContact O-N 3.16Å; W486-R492 HydrophobicContact CB-CB 4.43Å; W486-R492 HydrophobicContact CB-CG 3.81Å; W486-R492 HydrophobicContact CD2-CG 4.36Å; W486-R492 VanDerWaalsContact CD2-CZ 3.43Å; W486-R492 VanDerWaalsContact CE2-NH1 3.27Å; W486-R492 HydrophobicContact CE3-CG 4.48Å; W486-R492 HydrophobicContact CG-CG 4.07Å; W486-L554 HydrophobicContact CH2-CD1 3.7Å; W486-L554 HydrophobicContact CZ2-CD1 4.46Å; W486-L554 HydrophobicContact CZ3-CD1 4.33Å; W486-F564 HydrophobicContact CE3-CD2 4.18Å; W486-F564 AromaticContact CE3-CE2 3.65Å; W486-F564 HydrophobicContact CE3-CE2 3.65Å; W486-F564 AromaticContact CE3-CZ 3.94Å; W486-F564 HydrophobicContact CE3-CZ 3.94Å; W486-F564 HydrophobicContact CH2-CZ 4.4Å; W486-F564 HydrophobicContact CZ3-CD2 4.48Å; W486-F564 HydrophobicContact CZ3-CE1 4.16Å; W486-F564 AromaticContact CZ3-CE2 3.69Å; W486-F564 HydrophobicContact CZ3-CE2 3.69Å; W486-F564 AromaticContact CZ3-CZ 3.47Å; W486-F564 HydrophobicContact CZ3-CZ 3.47Å; W486-F564 VanDerWaalsContact CZ3-CZ 3.47Å |
| 487 | E | 52.7 | Low | 79.6 | Confident | 123 Ų | 123 | 62.6 Ų | 62.6 | 58% | 0.575 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -40.2 | 138.7 | 173.7 | -158.5 | 165.9 | -139.7 | 0 | 0 | 112.3 | ||
| 488 | N | 55.7 | Low | 79.6 | Confident | 136 Ų | 136 | 60.2 Ų | 60.2 | 73% | 0.727 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | 33.7 | -167.6 | -49.9 | -35.5 | 0 | 0 | 0 | 115.7 | R490 | N488-R490 PolarHBondContact O-N 3.16Š|
| 489 | K | 57.6 | Low | 79.7 | Confident | 200 Ų | 200 | 61.8 Ų | 61.8 | 87% | 0.87 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 19.1 | 177.4 | -59.9 | -179.1 | 178.9 | 178.3 | 0 | 114.5 | W486 | W486-K489 PolarHBondContact O-N 3.37Š|
| 490 | R | 66.7 | Low | 79.9 | Confident | 184 Ų | 184 | 60.6 Ų | 60.6 | 69% | 0.694 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 129.2 | -178.6 | -69.1 | -175.4 | -178.7 | -176.4 | 1.3 | 110.3 | W486 N488 | W486-R490 WeakPolarHBondContact CA-O 3.23Å; W486-R490 WeakPolarHBondContact CB-O 2.88Å; W486-R490 PolarHBondContact N-O 2.88Å; W486-R490 PolarHBondContact O-N 2.8Å; W486-R490 VanDerWaalsContact O-N 3.16Å; N488-R490 PolarHBondContact O-N 3.16Å |
| 491 | I | 72.1 | Confident | 80.1 | Confident | 88 Ų | 88 | 62.2 Ų | 62.2 | 45% | 0.451 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 121.5 | 173.9 | -59.8 | 170.5 | 0 | 0 | 0 | 109 | G483 L484 P633 L635 | G483-I491 VanDerWaalsContact CA-CG2 3.47Å; L484-I491 WeakPolarHBondContact O-CA 2.97Å; I491-P633 HydrophobicContact CD1-CB 3.94Å; I491-L635 HydrophobicContact CG2-CD2 3.89Å |
| 492 | R | 75.7 | Confident | 80.3 | Confident | 118 Ų | 118 | 64.7 Ų | 64.7 | 45% | 0.445 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 164.4 | 172.6 | -73.6 | -167.4 | -176.7 | -176.9 | -0.8 | 111.5 | G483 L484 W486 G494 | G483-R492 CarbonylContact C-O 3.51Å; G483-R492 WeakPolarHBondContact CA-O 3.3Å; L484-R492 PolarHBondContact N-O 3.47Å; L484-R492 PolarHBondContact O-N 3.36Å; W486-R492 HydrophobicContact CB-CB 4.43Å; W486-R492 HydrophobicContact CB-CG 3.81Å; W486-R492 HydrophobicContact CD2-CG 4.36Å; W486-R492 VanDerWaalsContact CD2-CZ 3.43Å; W486-R492 VanDerWaalsContact CE2-NH1 3.27Å; W486-R492 HydrophobicContact CE3-CG 4.48Å; W486-R492 HydrophobicContact CG-CG 4.07Å; R492-G494 PolarHBondContact O-N 2.97Å |
| 493 | A | 83.1 | Confident | 80.7 | Confident | 41 Ų | 41 | 66 Ų | 66 | 34% | 0.339 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 115.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | A444 E445 L635 | A444-A493 HydrophobicContact CB-CB 4.19Å; E445-A493 HydrophobicContact CB-CB 4.11Å; A493-L635 HydrophobicContact CB-CD1 4.46Å |
| 494 | G | 88.4 | Confident | 81.4 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | -128.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A444 Y482 R492 L599 | A444-G494 WeakPolarHBondContact CB-O 3.21Å; A444-G494 PolarHBondContact N-O 2.93Å; Y482-G494 CarbonylContact O-C 3.54Å; Y482-G494 WeakPolarHBondContact O-CA 3.39Å; Y482-G494 PolarHBondContact O-N 3.28Å; R492-G494 PolarHBondContact O-N 2.97Å; G494-L599 WeakPolarHBondContact O-CD2 3.33Å |
| 495 | V | 92.9 | Very high | 82.3 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 158.6 | 177.6 | -59.2 | 0 | 0 | 0 | 0 | 112.3 | T442 Y482 V597 I622 V623 | T442-V495 CarbonylContact O-C 3.55Å; T442-V495 WeakPolarHBondContact O-CA 3.5Å; Y482-V495 WeakPolarHBondContact CB-O 3.39Å; Y482-V495 HydrophobicContact CD2-CG2 4.45Å; Y482-V495 PolarHBondContact N-O 3.41Å; V495-V597 HydrophobicContact CG1-CB 3.96Å; V495-V597 HydrophobicContact CG1-CG1 4.33Å; V495-V597 HydrophobicContact CG1-CG2 4.06Å; V495-I622 HydrophobicContact CG1-CG2 4.28Å; V495-I622 HydrophobicContact CG2-CD1 4.39Å; V495-I622 HydrophobicContact CG2-CG2 3.77Å; V495-V623 HydrophobicContact CG2-CG2 4.27Å |
| 496 | A | 94.3 | Very high | 83.3 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 138.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | T442 A444 F447 V479 L480 L481 | T442-A496 HydrophobicContact CG2-CB 3.92Å; T442-A496 PolarHBondContact N-O 3.1Å; T442-A496 PolarHBondContact O-N 2.77Å; A444-A496 HydrophobicContact CB-CB 4.43Å; F447-A496 HydrophobicContact CD2-CB 4.13Å; F447-A496 HydrophobicContact CE2-CB 3.72Å; V479-A496 HydrophobicContact CG1-CB 4.44Å; L480-A496 VanDerWaalsContact O-CA 3.25Å; L480-A496 WeakPolarHBondContact O-CA 3.19Å; L481-A496 HydrophobicContact CD2-CB 3.67Å |
| 497 | I | 94.8 | Very high | 84.6 | Confident | 12 Ų | 12 | 75 Ų | 75 | 6% | 0.062 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 122.3 | 174.4 | -49.5 | -167.7 | 0 | 0 | 0 | 107.6 | I439 L441 V479 L480 Y482 V623 V626 F627 | I439-I497 HydrophobicContact CG2-CG2 3.7Å; L441-I497 HydrophobicContact CD2-CB 4.43Å; L441-I497 HydrophobicContact CD2-CD1 4.12Å; L441-I497 HydrophobicContact CD2-CG1 3.78Å; L441-I497 HydrophobicContact CD2-CG2 4.31Å; V479-I497 WeakPolarHBondContact CA-O 3.48Å; L480-I497 PolarHBondContact N-O 3.34Å; L480-I497 PolarHBondContact O-N 2.75Å; Y482-I497 HydrophobicContact CD2-CG1 4.28Å; Y482-I497 HydrophobicContact CE2-CD1 4.09Å; Y482-I497 HydrophobicContact CE2-CG1 3.99Å; I497-V623 HydrophobicContact CD1-CG1 4.18Å; I497-V626 HydrophobicContact CD1-CB 4.2Å; I497-V626 HydrophobicContact CD1-CG1 3.64Å; I497-F627 HydrophobicContact CD1-CD1 4.26Å; I497-F627 HydrophobicContact CD1-CE1 3.63Å; I497-F627 HydrophobicContact CD1-CZ 4.26Å; I497-F627 HydrophobicContact CG2-CE1 4.28Å |
| 498 | L | 95.4 | Very high | 86.5 | Confident | 1 Ų | 1 | 70.3 Ų | 70.3 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 137.9 | 174.6 | -55.1 | 81.3 | 0 | 0 | 0 | 109.8 | I410 V440 T442 F447 V457 I476 V479 | I410-L498 HydrophobicContact CD1-CD1 4.44Å; I410-L498 HydrophobicContact CD1-CD2 4.47Å; V440-L498 HydrophobicContact CB-CB 4.24Å; V440-L498 HydrophobicContact CB-CD1 4.1Å; V440-L498 HydrophobicContact CG1-CD1 3.95Å; V440-L498 PolarHBondContact N-O 3.22Å; V440-L498 WeakPolarHBondContact O-CD1 3.23Å; V440-L498 PolarHBondContact O-N 2.9Å; T442-L498 HydrophobicContact CG2-CD1 3.54Å; F447-L498 HydrophobicContact CE1-CD2 4.48Å; F447-L498 HydrophobicContact CE2-CD1 4.47Å; F447-L498 HydrophobicContact CZ-CD1 4.12Å; F447-L498 HydrophobicContact CZ-CD2 3.81Å; F447-L498 HydrophobicContact CZ-CG 3.85Å; V457-L498 HydrophobicContact CG2-CD2 4.09Å; I476-L498 HydrophobicContact CD1-CD2 3.65Å; I476-L498 HydrophobicContact CG1-CD2 3.77Å; I476-L498 HydrophobicContact CG2-CB 4.31Å; I476-L498 HydrophobicContact CG2-CD2 4.07Å; I476-L498 HydrophobicContact CG2-CG 4.49Å; V479-L498 HydrophobicContact CG2-CG 4.35Å |
| 499 | K | 95.8 | Very high | 88.1 | Confident | 88 Ų | 88 | 68.7 Ų | 68.7 | 38% | 0.383 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 125 | 160.3 | -166.2 | 68.4 | 165.2 | 175.6 | 0 | 108.7 | D438 A477 S478 | D438-K499 VanDerWaalsContact CG-CE 3.46Å; D438-K499 WeakPolarHBondContact OD1-CE 3.46Å; D438-K499 IonicContact OD1-NZ 2.71Å; D438-K499 PolarHBondContact OD1-NZ 2.89Å; D438-K499 WeakPolarHBondContact OD2-CE 3.5Å; D438-K499 IonicContact OD2-NZ 3.78Å; D438-K499 PolarHBondContact OD2-NZ 3.07Å; A477-K499 PolarHBondContact N-O 2.89Å; S478-K499 PolarHBondContact N-O 2.69Å; S478-K499 PolarHBondContact O-N 3.25Å; S478-K499 WeakPolarHBondContact OG-CB 3.27Å |
| 500 | L | 96.5 | Very high | 89.9 | Confident | 5 Ų | 5 | 59.3 Ų | 59.3 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 146.2 | 174.5 | -59.9 | -175.8 | 0 | 0 | 0 | 110.6 | D438 V440 V457 V474 R502 L504 | D438-L500 HydrophobicContact CB-CB 4.1Å; D438-L500 WeakPolarHBondContact O-CG 3.46Å; D438-L500 PolarHBondContact O-N 3.43Å; V440-L500 HydrophobicContact CG2-CD1 4.02Å; V440-L500 HydrophobicContact CG2-CD2 4.19Å; V440-L500 HydrophobicContact CG2-CG 4.16Å; V457-L500 HydrophobicContact CB-CD2 4.11Å; V457-L500 HydrophobicContact CG1-CD2 4.35Å; V457-L500 HydrophobicContact CG2-CD2 3.83Å; V474-L500 HydrophobicContact CG1-CB 3.91Å; V474-L500 HydrophobicContact CG1-CD1 4.36Å; V474-L500 HydrophobicContact CG1-CD2 4.43Å; V474-L500 HydrophobicContact CG1-CG 4.47Å; L500-R502 WeakPolarHBondContact CB-O 3.26Å; L500-R502 PolarHBondContact O-N 3.05Å; L500-L504 HydrophobicContact CD1-CD1 3.81Å; L500-L504 HydrophobicContact CD1-CG 4.01Å |
| 501 | Q | 95.1 | Very high | 91.2 | Very high | 124 Ų | 124 | 50.6 Ų | 50.6 | 58% | 0.579 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -71.1 | -18.8 | 176.9 | -171.2 | 173.4 | 12.6 | 0 | 0 | 113 | K475 A477 | K475-Q501 HydrophobicContact CB-CB 4.05Å; K475-Q501 PolarHBondContact O-N 2.92Å; A477-Q501 HydrophobicContact CB-CB 4.22Å |
| 502 | R | 95.2 | Very high | 92.3 | Very high | 97 Ų | 97 | 46.6 Ų | 46.6 | 37% | 0.366 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 134.6 | 170.8 | -175.8 | -175.9 | 64.6 | 87.6 | -22.6 | 107.6 | V474 L500 D508 | V474-R502 HydrophobicContact CG1-CB 4.21Å; L500-R502 WeakPolarHBondContact CB-O 3.26Å; L500-R502 PolarHBondContact O-N 3.05Å; R502-D508 IonicContact CZ-OD1 3.37Å; R502-D508 IonicContact CZ-OD2 3.75Å; R502-D508 IonicContact NH1-OD1 2.66Å; R502-D508 IonicContact NH1-OD2 2.7Å; R502-D508 PolarHBondContact NH1-OD2 3.01Å; R502-D508 IonicContact NH2-OD1 2.73Å; R502-D508 PolarHBondContact NH2-OD1 3.03Å; R502-D508 IonicContact NH2-OD2 2.74Å; R502-D508 PolarHBondContact NH2-OD2 2.95Å |
| 503 | P | 95.7 | Very high | 93.3 | Very high | 50 Ų | 50 | 41 Ų | 41 | 33% | 0.325 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 139.2 | 168.7 | 27.2 | -34.5 | 0 | 0 | 0 | 110.6 | S437 D438 L505 | S437-P503 CarbonylContact O-C 3.53Å; S437-P503 WeakPolarHBondContact O-CA 3.35Å; D438-P503 HydrophobicContact CB-CB 4.03Å; P503-L505 WeakPolarHBondContact O-CD1 3.44Å |
| 504 | L | 95.4 | Very high | 94 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 133.7 | 167 | -70.3 | 167.6 | 0 | 0 | 0 | 108.2 | L424 S436 S437 A459 A472 V474 L500 D508 V510 | L424-L504 HydrophobicContact CD1-CD1 4.28Å; L424-L504 HydrophobicContact CD2-CB 4.22Å; S436-L504 CarbonylContact C-O 3.42Å; S436-L504 WeakPolarHBondContact CA-O 3.38Å; S436-L504 WeakPolarHBondContact CB-O 3.26Å; S437-L504 PolarHBondContact N-O 3.13Å; S437-L504 PolarHBondContact O-N 2.99Å; A459-L504 HydrophobicContact CB-CD1 3.62Å; A459-L504 HydrophobicContact CB-CD2 4.46Å; A472-L504 HydrophobicContact CB-CD2 3.69Å; V474-L504 HydrophobicContact CG2-CD2 3.56Å; V474-L504 HydrophobicContact CG2-CG 4.05Å; L500-L504 HydrophobicContact CD1-CD1 3.81Å; L500-L504 HydrophobicContact CD1-CG 4.01Å; L504-D508 HydrophobicContact CD2-CB 3.84Å; L504-V510 HydrophobicContact CB-CG2 3.69Å |
| 505 | L | 93.9 | Very high | 94.4 | Very high | 55 Ų | 55 | 40.2 Ų | 40.2 | 29% | 0.288 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 168.3 | -177.7 | -60 | 100.4 | 0 | 0 | 0 | 110.2 | P503 K507 D508 V510 | P503-L505 WeakPolarHBondContact O-CD1 3.44Å; L505-K507 HydrophobicContact CB-CG 4.01Å; L505-K507 PolarHBondContact O-N 2.84Å; L505-D508 PolarHBondContact N-OD2 2.99Å; L505-D508 WeakPolarHBondContact O-CA 3.22Å; L505-D508 VanDerWaalsContact O-CB 3.3Å; L505-D508 WeakPolarHBondContact O-CB 3.32Å; L505-D508 PolarHBondContact O-N 2.88Å; L505-V510 WeakPolarHBondContact O-CG2 3.5Å |
| 506 | R | 90.3 | Very high | 94.4 | Very high | 82 Ų | 82 | 40.1 Ų | 40.1 | 31% | 0.309 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -48.9 | -35.3 | 172.4 | 178.9 | 171 | 152.1 | 67.3 | 4.7 | 114.3 | T386 F387 N435 D508 N509 V510 | T386-R506 VanDerWaalsContact CB-NH1 3.27Å; T386-R506 PolarHBondContact O-NH1 3Å; T386-R506 PolarHBondContact O-NH2 3.21Å; T386-R506 PolarHBondContact OG1-NH1 3.46Å; F387-R506 HydrophobicContact CE1-CG 4.26Å; F387-R506 HydrophobicContact CZ-CG 4.46Å; N435-R506 PolarHBondContact O-N 2.81Å; R506-D508 PolarHBondContact O-N 2Å; R506-N509 PolarHBondContact O-N 3.39Å; R506-V510 WeakPolarHBondContact CA-O 3.33Å |
| 507 | K | 90 | Very high | 94.3 | Very high | 168 Ų | 168 | 47.5 Ų | 47.5 | 73% | 0.73 | 22% | 0.222 | S | C | * | . | G | 310 helix | trans | -67.7 | -14.8 | 174.8 | 66.4 | 172 | 179.8 | -175.9 | 0 | 115.2 | L505 | L505-K507 HydrophobicContact CB-CG 4.01Å; L505-K507 PolarHBondContact O-N 2.84Å |
| 508 | D | 91.6 | Very high | 93.9 | Very high | 26 Ų | 26 | 52.3 Ų | 52.3 | 14% | 0.139 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -85.7 | 12.5 | 170.5 | -63.3 | -71.4 | 0 | 0 | 0 | 111.7 | G460 A472 R502 L504 L505 R506 V510 | G460-D508 WeakPolarHBondContact CA-O 3.48Å; A472-D508 HydrophobicContact CB-CB 3.79Å; A472-D508 WeakPolarHBondContact CB-OD1 3.48Å; R502-D508 IonicContact CZ-OD1 3.37Å; R502-D508 IonicContact CZ-OD2 3.75Å; R502-D508 IonicContact NH1-OD1 2.66Å; R502-D508 IonicContact NH1-OD2 2.7Å; R502-D508 PolarHBondContact NH1-OD2 3.01Å; R502-D508 IonicContact NH2-OD1 2.73Å; R502-D508 PolarHBondContact NH2-OD1 3.03Å; R502-D508 IonicContact NH2-OD2 2.74Å; R502-D508 PolarHBondContact NH2-OD2 2.95Å; L504-D508 HydrophobicContact CD2-CB 3.84Å; L505-D508 PolarHBondContact N-OD2 2.99Å; L505-D508 WeakPolarHBondContact O-CA 3.22Å; L505-D508 VanDerWaalsContact O-CB 3.3Å; L505-D508 WeakPolarHBondContact O-CB 3.32Å; L505-D508 PolarHBondContact O-N 2.88Å; R506-D508 PolarHBondContact O-N 2Å; D508-V510 HydrophobicContact CB-CG2 4.4Å |
| 509 | N | 90.5 | Very high | 93.4 | Very high | 101 Ų | 101 | 56.1 Ų | 56.1 | 54% | 0.54 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 44.6 | -174.8 | -64.1 | -19.1 | 0 | 0 | 0 | 113.8 | G460 R506 | G460-N509 WeakPolarHBondContact CA-O 3.13Å; R506-N509 PolarHBondContact O-N 3.39Å |
| 510 | V | 93.8 | Very high | 93 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | trans | -135.5 | 155.5 | 177.2 | -58.6 | 0 | 0 | 0 | 0 | 112.8 | P405 L424 A459 L504 L505 R506 D508 | P405-V510 WeakPolarHBondContact O-CA 3.29Å; P405-V510 WeakPolarHBondContact O-CB 3.46Å; P405-V510 VanDerWaalsContact O-CG1 3.3Å; P405-V510 WeakPolarHBondContact O-CG1 3.3Å; L424-V510 HydrophobicContact CD2-CB 3.99Å; L424-V510 HydrophobicContact CD2-CG2 3.67Å; A459-V510 HydrophobicContact CB-CG1 3.77Å; L504-V510 HydrophobicContact CB-CG2 3.69Å; L505-V510 WeakPolarHBondContact O-CG2 3.5Å; R506-V510 WeakPolarHBondContact CA-O 3.33Å; D508-V510 HydrophobicContact CB-CG2 4.4Å | ||
| 511 | V | 94.2 | Very high | 92.5 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.012 | 26% | 0.259 | C | S | . | . | trans | -139.1 | 146.3 | 159.6 | -67.6 | 0 | 0 | 0 | 0 | 107.8 | V379 F387 P405 W406 | V379-V511 HydrophobicContact CG1-CB 4.33Å; V379-V511 HydrophobicContact CG1-CG1 3.56Å; F387-V511 HydrophobicContact CE2-CB 4.42Å; F387-V511 HydrophobicContact CE2-CG1 3.7Å; F387-V511 HydrophobicContact CE2-CG2 4.05Å; F387-V511 HydrophobicContact CZ-CG1 4.03Å; P405-V511 HydrophobicContact CB-CG2 4Å; P405-V511 HydrophobicContact CG-CG2 3.52Å; P405-V511 PolarHBondContact O-N 2.93Å; W406-V511 WeakPolarHBondContact CA-O 3.34Å; W406-V511 WeakPolarHBondContact CB-O 3.43Å; W406-V511 HydrophobicContact CE3-CG2 4.41Å; W406-V511 PolarHBondContact N-O 3.45Å | ||
| 512 | P | 96.4 | Very high | 91.9 | Very high | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.019 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -72.4 | 148.4 | 179.2 | 28.7 | -32.8 | 0 | 0 | 0 | 111.8 | C381 G382 L424 H426 V434 | C381-P512 CarbonylContact C-O 3.49Å; C381-P512 VanDerWaalsContact CA-O 3.27Å; C381-P512 WeakPolarHBondContact CA-O 3.19Å; C381-P512 HydrophobicContact CB-CG 4.4Å; G382-P512 PolarHBondContact N-O 3Å; L424-P512 HydrophobicContact CG-CB 4.4Å; L424-P512 CarbonylContact O-C 3.54Å; L424-P512 VanDerWaalsContact O-CA 3.29Å; L424-P512 WeakPolarHBondContact O-CA 3.06Å; H426-P512 HydrophobicContact CB-CB 4.15Å; H426-P512 HydrophobicContact CB-CG 4.21Å; V434-P512 HydrophobicContact CB-CG 4.24Å; V434-P512 HydrophobicContact CG1-CG 3.82Å |
| 513 | V | 96.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -79.6 | 148.4 | 167.9 | 70.1 | 0 | 0 | 0 | 0 | 110.2 | W406 L424 V425 H426 V585 A592 Q594 | W406-V513 HydrophobicContact CB-CB 4.05Å; W406-V513 HydrophobicContact CB-CG1 4.38Å; W406-V513 HydrophobicContact CD2-CB 3.62Å; W406-V513 HydrophobicContact CD2-CG2 4.04Å; W406-V513 HydrophobicContact CE3-CB 3.92Å; W406-V513 HydrophobicContact CE3-CG2 4.31Å; W406-V513 HydrophobicContact CG-CB 3.69Å; W406-V513 HydrophobicContact CG-CG1 4.24Å; W406-V513 HydrophobicContact CG-CG2 4.47Å; W406-V513 HydrophobicContact CZ2-CG2 4.36Å; L424-V513 PolarHBondContact O-N 3.08Å; V425-V513 HydrophobicContact CG1-CG1 3.9Å; H426-V513 PolarHBondContact N-O 3.15Å; V513-V585 HydrophobicContact CG2-CG1 4.05Å; V513-V585 HydrophobicContact CG2-CG2 4.34Å; V513-A592 HydrophobicContact CG2-CB 4.31Å; V513-A592 WeakPolarHBondContact CG2-O 3.36Å; V513-Q594 HydrophobicContact CG1-CB 3.89Å; V513-Q594 HydrophobicContact CG2-CB 4.25Å |
| 514 | C | 96.8 | Very high | 89.1 | Confident | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.02 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 149.3 | 169.5 | -57.9 | 0 | 0 | 0 | 0 | 110.2 | C381 A592 Y593 Q594 | C381-C514 HydrophobicContact CB-CB 4.08Å; C381-C514 WeakPolarHBondContact CB-SG 3.31Å; C381-C514 PolarHBondContact O-SG 3.3Å; C381-C514 WeakPolarHBondContact SG-CA 3.33Å; C381-C514 WeakPolarHBondContact SG-CB 3.26Å; C381-C514 CovalentContact SG-SG 2.05Å; C381-C514 PolarHBondContact SG-SG 2.84Å; C514-A592 PolarHBondContact N-O 3.17Å; C514-Y593 HydrophobicContact CB-CD1 3.75Å; C514-Y593 HydrophobicContact CB-CE1 4.1Å; C514-Y593 WeakPolarHBondContact O-CA 3.13Å; C514-Q594 PolarHBondContact O-N 3.33Å |
| 515 | L | 96.1 | Very high | 87.5 | Confident | 22 Ų | 22 | 49.5 Ų | 49.5 | 12% | 0.115 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 138.2 | 166.3 | -56.1 | -174.7 | 0 | 0 | 0 | 109.1 | V425 L441 I620 V623 F627 | V425-L515 HydrophobicContact CB-CD2 3.95Å; V425-L515 HydrophobicContact CG1-CD2 3.84Å; L441-L515 HydrophobicContact CD1-CD2 4.05Å; L515-I620 HydrophobicContact CB-CG1 4.24Å; L515-I620 HydrophobicContact CD2-CD1 3.97Å; L515-I620 HydrophobicContact CD2-CG1 3.91Å; L515-I620 HydrophobicContact CG-CG1 4.46Å; L515-V623 HydrophobicContact CD1-CG1 4.04Å; L515-F627 HydrophobicContact CD1-CD2 4.13Å; L515-F627 HydrophobicContact CD1-CE2 3.82Å |
| 516 | A | 94.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -62 | 158.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q594 Y595 I620 H624 | A516-Q594 WeakPolarHBondContact CB-O 3.1Å; A516-Q594 PolarHBondContact N-O 3.03Å; A516-Y595 HydrophobicContact CB-CD1 3.49Å; A516-Y595 VanDerWaalsContact CB-CD1 3.49Å; A516-Y595 HydrophobicContact CB-CD2 3.88Å; A516-Y595 HydrophobicContact CB-CE1 3.52Å; A516-Y595 HydrophobicContact CB-CE2 3.9Å; A516-Y595 HydrophobicContact CB-CG 3.69Å; A516-I620 HydrophobicContact CB-CG2 4.13Å; A516-H624 PolarHBondContact O-NE2 3.2Å |
| 517 | Q | 90.7 | Very high | 85.6 | Confident | 154 Ų | 154 | 45.8 Ų | 45.8 | 72% | 0.72 | 23% | 0.229 | S | C | * | . | P | Polyproline II helix | trans | -59.6 | 148.6 | 179.6 | -62.9 | -176.9 | 11.7 | 0 | 0 | 111.1 | E519 S520 | Q517-E519 PolarHBondContact O-N 3.36Å; Q517-S520 PolarHBondContact N-OG 3.27Å; Q517-S520 WeakPolarHBondContact O-CB 3.28Å; Q517-S520 PolarHBondContact O-N 3.24Å; Q517-S520 VanDerWaalsContact O-N 3.09Å; Q517-S520 PolarHBondContact O-OG 3.08Å |
| 518 | R | 87.2 | Confident | 85.2 | Confident | 113 Ų | 113 | 38 Ų | 38 | 43% | 0.426 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 134.1 | 179.9 | -174.6 | 169.4 | 176.9 | -113.9 | -8.9 | 109.9 | S520 T621 H624 E625 | R518-S520 PolarHBondContact O-N 2.81Å; R518-T621 HydrophobicContact CG-CG2 4.12Å; R518-H624 HydrophobicContact CB-CB 4.39Å; R518-H624 HydrophobicContact CG-CB 4.25Å; R518-E625 IonicContact CZ-OE1 2.65Å; R518-E625 IonicContact NE-OE1 3.25Å; R518-E625 IonicContact NH2-OE1 3.68Å; R518-E625 PolarHBondContact NH2-OE1 2.93Å |
| 519 | E | 84.2 | Confident | 85.1 | Confident | 82 Ų | 82 | 37.7 Ų | 37.7 | 38% | 0.383 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 3.8 | -177.3 | -60.9 | 177.9 | 167 | 0 | 0 | 116.6 | Q517 R552 R565 T621 | Q517-E519 PolarHBondContact O-N 3.36Å; E519-R552 PolarHBondContact O-NH2 3.19Å; E519-R565 IonicContact OE1-CZ 3.68Å; E519-R565 IonicContact OE1-NH1 3.59Å; E519-R565 PolarHBondContact OE1-NH1 2.62Å; E519-R565 IonicContact OE1-NH2 2.7Å; E519-T621 WeakPolarHBondContact CA-OG1 3.26Å; E519-T621 HydrophobicContact CG-CG2 3.77Å; E519-T621 PolarHBondContact N-OG1 3.18Å; E519-T621 VanDerWaalsContact N-OG1 3.13Å |
| 520 | S | 88.2 | Confident | 85.1 | Confident | 29 Ų | 29 | 32.9 Ų | 32.9 | 20% | 0.203 | 17% | 0.167 | C | C | . | . | trans | -73.4 | 142.3 | 173.1 | 70.6 | 0 | 0 | 0 | 0 | 112.1 | Q517 R518 Y595 | Q517-S520 PolarHBondContact N-OG 3.27Å; Q517-S520 WeakPolarHBondContact O-CB 3.28Å; Q517-S520 PolarHBondContact O-N 3.24Å; Q517-S520 VanDerWaalsContact O-N 3.09Å; Q517-S520 PolarHBondContact O-OG 3.08Å; R518-S520 PolarHBondContact O-N 2.81Å; S520-Y595 WeakPolarHBondContact OG-CE1 3.26Å | ||
| 521 | V | 85.7 | Confident | 85 | Confident | 41 Ų | 41 | 32.7 Ų | 32.7 | 25% | 0.248 | 17% | 0.166 | C | C | . | . | trans | -104.7 | 157.5 | 167.7 | -64.3 | 0 | 0 | 0 | 0 | 109.2 | A551 R552 Y595 | V521-A551 HydrophobicContact CB-CB 3.99Å; V521-A551 HydrophobicContact CG1-CB 4.29Å; V521-A551 HydrophobicContact CG2-CB 4.35Å; V521-R552 HydrophobicContact CG1-CG 4.03Å; V521-Y595 WeakPolarHBondContact O-CE1 3.3Å | ||
| 522 | P | 83.2 | Confident | 84.8 | Confident | 7 Ų | 7 | 32.8 Ų | 32.8 | 5% | 0.045 | 17% | 0.166 | C | C | . | . | trans | -56.7 | 127.2 | 175 | -24.4 | 33.2 | 0 | 0 | 0 | 110.9 | I547 I567 M584 Y595 | P522-I547 HydrophobicContact CB-CD1 4.42Å; P522-I547 HydrophobicContact CB-CG1 4.04Å; P522-I547 HydrophobicContact CG-CD1 4.12Å; P522-I547 HydrophobicContact CG-CG1 4.25Å; P522-I567 HydrophobicContact CG-CD1 4.45Å; P522-M584 HydrophobicContact CG-SD 4.36Å; P522-Y595 HydrophobicContact CB-CG 4.49Å; P522-Y595 HydrophobicContact CG-CD1 3.82Å; P522-Y595 HydrophobicContact CG-CD2 4.16Å; P522-Y595 HydrophobicContact CG-CE1 4.34Å; P522-Y595 HydrophobicContact CG-CG 3.7Å | ||
| 523 | P | 74.4 | Confident | 84.6 | Confident | 26 Ų | 26 | 32.9 Ų | 32.9 | 17% | 0.169 | 17% | 0.166 | C | C | . | . | trans | -71.3 | 151.8 | -179.3 | 26.7 | -31.2 | 0 | 0 | 0 | 110.8 | Y525 A526 V588 | P523-Y525 HydrophobicContact CB-CD1 4.06Å; P523-Y525 HydrophobicContact CB-CE1 3.62Å; P523-Y525 HydrophobicContact CB-CE2 4.18Å; P523-Y525 HydrophobicContact CG-CD2 4.3Å; P523-Y525 HydrophobicContact CG-CE1 4.07Å; P523-Y525 HydrophobicContact CG-CE2 3.71Å; P523-Y525 PolarHBondContact O-N 2.9Å; P523-A526 HydrophobicContact CG-CB 3.98Å; P523-A526 WeakPolarHBondContact O-CB 3.08Å; P523-A526 PolarHBondContact O-N 3.37Å; P523-V588 HydrophobicContact CG-CG2 4.18Å | ||
| 524 | P | 57.1 | Low | 84.3 | Confident | 42 Ų | 42 | 33.5 Ų | 33.5 | 27% | 0.273 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -18.4 | -172.2 | -26.7 | 35.6 | 0 | 0 | 0 | 116.1 | Y941 N1020 | P524-Y941 HydrophobicContact CB-CE1 4.01Å; P524-Y941 HydrophobicContact CG-CE1 4.1Å; P524-N1020 PolarHBondContact O-ND2 2.96Å |
| 525 | Y | 61.3 | Low | 83.7 | Confident | 80 Ų | 80 | 40 Ų | 40 | 31% | 0.314 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -10.7 | 176.6 | 59.9 | -106.4 | 0 | 0 | 0 | 114.1 | P523 V588 H589 | P523-Y525 HydrophobicContact CB-CD1 4.06Å; P523-Y525 HydrophobicContact CB-CE1 3.62Å; P523-Y525 HydrophobicContact CB-CE2 4.18Å; P523-Y525 HydrophobicContact CG-CD2 4.3Å; P523-Y525 HydrophobicContact CG-CE1 4.07Å; P523-Y525 HydrophobicContact CG-CE2 3.71Å; P523-Y525 PolarHBondContact O-N 2.9Å; Y525-V588 HydrophobicContact CE2-CG1 4.28Å; Y525-H589 PolarHBondContact OH-CE1 2.84Å |
| 526 | A | 67.7 | Low | 83.2 | Confident | 13 Ų | 13 | 45.1 Ų | 45.1 | 11% | 0.107 | 22% | 0.217 | C | C | . | . | trans | -72.7 | 146.6 | -176 | 0 | 0 | 0 | 0 | 0 | 112.5 | P523 C586 V588 | P523-A526 HydrophobicContact CG-CB 3.98Å; P523-A526 WeakPolarHBondContact O-CB 3.08Å; P523-A526 PolarHBondContact O-N 3.37Å; A526-C586 HydrophobicContact CB-CB 4.15Å; A526-V588 HydrophobicContact CB-CG2 3.93Å | ||
| 527 | S | 76.1 | Confident | 82.7 | Confident | 47 Ų | 47 | 48.3 Ų | 48.3 | 33% | 0.329 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 112.1 | 167.8 | -52.6 | 0 | 0 | 0 | 0 | 109.4 | C586 I587 | S527-C586 WeakPolarHBondContact O-CA 3.33Å; S527-I587 PolarHBondContact O-N 3.36Å |
| 528 | C | 82.5 | Confident | 82.5 | Confident | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.02 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 138.4 | -177.9 | -63.5 | 0 | 0 | 0 | 0 | 112.2 | I544 V545 I547 V585 C586 | C528-I544 WeakPolarHBondContact O-CA 3.45Å; C528-V545 HydrophobicContact CB-CG2 4.08Å; C528-V545 PolarHBondContact O-N 3.44Å; C528-I547 HydrophobicContact CB-CD1 4.16Å; C528-I547 HydrophobicContact CB-CG1 4.41Å; C528-V585 CarbonylContact C-O 3.39Å; C528-V585 WeakPolarHBondContact CA-O 3.41Å; C528-C586 HydrophobicContact CB-CB 4.1Å; C528-C586 WeakPolarHBondContact CB-SG 3.34Å; C528-C586 WeakPolarHBondContact SG-CB 3.34Å; C528-C586 CovalentContact SG-SG 2.04Å; C528-C586 PolarHBondContact SG-SG 3.2Å |
| 529 | Y | 89 | Confident | 82.5 | Confident | 20 Ų | 20 | 40.3 Ų | 40.3 | 8% | 0.078 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 148.4 | -176.7 | -60 | -90.1 | 0 | 0 | 0 | 110.8 | V395 F404 E543 I544 V585 I587 | V395-Y529 HydrophobicContact CB-CD1 4.09Å; V395-Y529 HydrophobicContact CB-CE1 3.62Å; V395-Y529 HydrophobicContact CG1-CD1 3.7Å; V395-Y529 HydrophobicContact CG1-CE1 3.77Å; V395-Y529 HydrophobicContact CG1-CG 4.17Å; V395-Y529 HydrophobicContact CG2-CD1 4.45Å; V395-Y529 HydrophobicContact CG2-CE1 3.72Å; V395-Y529 HydrophobicContact CG2-CE2 4.15Å; F404-Y529 HydrophobicContact CE2-CG 4.4Å; F404-Y529 HydrophobicContact CZ-CD2 4.45Å; F404-Y529 HydrophobicContact CZ-CG 4.45Å; Y529-E543 CarbonylContact C-O 3.59Å; Y529-E543 VanDerWaalsContact CA-O 3.32Å; Y529-E543 WeakPolarHBondContact CA-O 3.43Å; Y529-I544 HydrophobicContact CD1-CB 3.96Å; Y529-I544 HydrophobicContact CD1-CG1 4.36Å; Y529-I544 HydrophobicContact CE1-CB 3.78Å; Y529-I544 HydrophobicContact CE1-CD1 4.25Å; Y529-I544 HydrophobicContact CE1-CG1 4Å; Y529-V585 PolarHBondContact N-O 3.27Å; Y529-V585 PolarHBondContact O-N 3.47Å; Y529-I587 HydrophobicContact CD2-CD1 4.43Å; Y529-I587 HydrophobicContact CE2-CD1 3.87Å; Y529-I587 HydrophobicContact CE2-CG1 4.26Å |
| 530 | V | 90.6 | Very high | 82.7 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 134.8 | -179.3 | -53.1 | 0 | 0 | 0 | 0 | 111 | E543 V545 M584 Y617 | V530-E543 HydrophobicContact CG2-CB 4.2Å; V530-E543 PolarHBondContact N-O 3.49Å; V530-E543 PolarHBondContact O-N 2.82Å; V530-V545 HydrophobicContact CB-CG1 4.23Å; V530-V545 HydrophobicContact CG1-CB 4.29Å; V530-V545 HydrophobicContact CG1-CG1 3.68Å; V530-V545 HydrophobicContact CG1-CG2 3.6Å; V530-V545 HydrophobicContact CG2-CG1 3.5Å; V530-M584 HydrophobicContact CG1-CB 4.4Å; V530-M584 HydrophobicContact CG1-CE 4.45Å; V530-M584 HydrophobicContact CG1-CG 4.39Å; V530-Y617 WeakPolarHBondContact CB-OH 3.09Å; V530-Y617 HydrophobicContact CG1-CE1 4.3Å; V530-Y617 WeakPolarHBondContact CG1-OH 3.43Å |
| 531 | T | 92 | Very high | 82.5 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 134.5 | -171.7 | -49.2 | 0 | 0 | 0 | 0 | 112.2 | N407 I421 I540 E542 A582 | N407-T531 VanDerWaalsContact ND2-CG2 3.26Å; N407-T531 WeakPolarHBondContact ND2-CG2 3.43Å; I421-T531 HydrophobicContact CD1-CG2 4.17Å; I421-T531 HydrophobicContact CG2-CG2 4.1Å; T531-I540 HydrophobicContact CG2-CD1 4.45Å; T531-I540 HydrophobicContact CG2-CG2 3.36Å; T531-E542 VanDerWaalsContact CA-OE2 3.28Å; T531-E542 WeakPolarHBondContact CA-OE2 3.47Å; T531-E542 VanDerWaalsContact CB-OE2 3.28Å; T531-E542 WeakPolarHBondContact CB-OE2 3.11Å; T531-E542 PolarHBondContact OG1-OE2 3.37Å; T531-A582 WeakPolarHBondContact O-CB 3.39Å |
| 532 | H | 90.6 | Very high | 82.4 | Confident | 3 Ų | 3 | 36 Ų | 36 | 1% | 0.014 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 152.3 | 176.7 | -69.1 | 101.4 | 0 | 0 | 0 | 111.5 | I540 D541 E543 Y577 Q579 | H532-I540 CarbonylContact O-C 3.16Å; H532-I540 WeakPolarHBondContact O-CA 3.26Å; H532-D541 PolarHBondContact N-O 3.23Å; H532-D541 PolarHBondContact O-N 3.22Å; H532-E543 IonicContact CE1-OE2 3.29Å; H532-E543 IonicContact ND1-OE2 3.34Å; H532-Y577 HydrophobicContact CB-CD2 3.72Å; H532-Y577 HydrophobicContact CB-CE2 4.07Å; H532-Y577 HydrophobicContact CB-CG 4.07Å; H532-Y577 AromaticContact CD2-CD2 3.52Å; H532-Y577 AromaticContact CG-CD2 3.61Å; H532-Q579 PolarHBondContact NE2-NE2 2.96Å; H532-Q579 PolarHBondContact NE2-OE1 3.12Å |
| 533 | Y | 92.1 | Very high | 82.1 | Confident | 5 Ų | 5 | 38.6 Ų | 38.6 | 2% | 0.02 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 117.4 | 170.4 | 168.2 | -89.2 | 0 | 0 | 0 | 109.4 | I409 T418 F464 R535 H538 R539 I540 Y577 I578 | I409-Y533 HydrophobicContact CD1-CD2 4.15Å; I409-Y533 HydrophobicContact CD1-CE2 4.39Å; T418-Y533 HydrophobicContact CG2-CD1 3.86Å; T418-Y533 HydrophobicContact CG2-CE1 4.05Å; T418-Y533 HydrophobicContact CG2-CG 4.16Å; F464-Y533 HydrophobicContact CB-CE2 4.35Å; F464-Y533 WeakPolarHBondContact O-CE2 3.46Å; F464-Y533 PolarHBondContact O-OH 2.99Å; Y533-R535 HydrophobicContact CD1-CG 4.33Å; Y533-R535 HydrophobicContact CE1-CG 4.07Å; Y533-R535 PolarHBondContact O-N 2.92Å; Y533-H538 PolarHBondContact OH-ND1 2.92Å; Y533-R539 CarbonylContact C-O 3.52Å; Y533-R539 WeakPolarHBondContact CA-O 3.49Å; Y533-R539 WeakPolarHBondContact CD2-O 3.45Å; Y533-I540 HydrophobicContact CD2-CG1 4.27Å; Y533-Y577 WeakPolarHBondContact O-CA 3.22Å; Y533-I578 HydrophobicContact CD1-CB 4.26Å; Y533-I578 HydrophobicContact CD1-CD1 3.89Å; Y533-I578 HydrophobicContact CD1-CG1 4.19Å; Y533-I578 HydrophobicContact CE1-CD1 4.31Å; Y533-I578 PolarHBondContact N-O 3.38Å; Y533-I578 PolarHBondContact O-N 3.35Å |
| 534 | D | 89.2 | Confident | 82.2 | Confident | 14 Ų | 14 | 40.5 Ų | 40.5 | 8% | 0.075 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 117.6 | 174.9 | -164.9 | -23.8 | 0 | 0 | 0 | 110.8 | H536 E537 H538 R539 H576 Y577 | D534-H536 VanDerWaalsContact C-N 3.31Å; D534-H536 PolarHBondContact O-N 3.36Å; D534-H536 WeakPolarHBondContact OD1-CA 2.96Å; D534-H536 WeakPolarHBondContact OD1-CB 3.24Å; D534-H536 IonicContact OD1-CD2 3.95Å; D534-H536 IonicContact OD1-CG 2.73Å; D534-H536 PolarHBondContact OD1-N 3.48Å; D534-E537 HydrophobicContact CB-CB 4.31Å; D534-E537 PolarHBondContact OD1-N 3.1Å; D534-H538 VanDerWaalsContact O-CA 3.3Å; D534-H538 WeakPolarHBondContact O-CA 3.23Å; D534-H538 PolarHBondContact O-N 3.1Å; D534-R539 PolarHBondContact N-O 2.86Å; D534-H576 IonicContact OD1-CD2 3.78Å; D534-H576 PolarHBondContact OD1-CD2 3.21Å; D534-H576 IonicContact OD2-CD2 3.56Å; D534-H576 IonicContact OD2-NE2 3.4Å; D534-Y577 HydrophobicContact CB-CD1 4.1Å; D534-Y577 HydrophobicContact CB-CE1 3.73Å |
| 535 | R | 86 | Confident | 82.9 | Confident | 140 Ų | 140 | 39 Ų | 39 | 53% | 0.528 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -26.4 | 175 | -71.6 | 176.1 | 178.9 | -172.3 | 3 | 113.9 | Y533 H538 H576 I578 | Y533-R535 HydrophobicContact CD1-CG 4.33Å; Y533-R535 HydrophobicContact CE1-CG 4.07Å; Y533-R535 PolarHBondContact O-N 2.92Å; R535-H538 PolarHBondContact O-CE1 3.32Å; R535-H538 PolarHBondContact O-ND1 3.04Å; R535-H576 WeakPolarHBondContact CB-O 3.48Å; R535-H576 WeakPolarHBondContact CD-O 3.24Å; R535-H576 WeakPolarHBondContact CG-O 3.21Å; R535-H576 PolarHBondContact N-O 2.95Å; R535-I578 HydrophobicContact CG-CD1 4.15Å; R535-I578 HydrophobicContact CG-CG1 4.12Å; R535-I578 VanDerWaalsContact NE-CG1 3.25Å |
| 536 | H | 85.1 | Confident | 82.7 | Confident | 129 Ų | 129 | 40.4 Ų | 40.4 | 60% | 0.597 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -52.3 | 179.1 | -63.7 | -58.6 | 0 | 0 | 0 | 110.9 | D534 H538 H576 | D534-H536 VanDerWaalsContact C-N 3.31Å; D534-H536 PolarHBondContact O-N 3.36Å; D534-H536 WeakPolarHBondContact OD1-CA 2.96Å; D534-H536 WeakPolarHBondContact OD1-CB 3.24Å; D534-H536 IonicContact OD1-CD2 3.95Å; D534-H536 IonicContact OD1-CG 2.73Å; D534-H536 PolarHBondContact OD1-N 3.48Å; H536-H538 VanDerWaalsContact C-N 3.32Å; H536-H538 PolarHBondContact O-N 2.94Å; H536-H576 WeakPolarHBondContact CD2-CB 3.49Å; H536-H576 AromaticContact CD2-CD2 3.91Å; H536-H576 AromaticContact CD2-CG 3.45Å; H536-H576 VanDerWaalsContact CD2-CG 3.45Å; H536-H576 AromaticContact CD2-ND1 3.91Å; H536-H576 VanDerWaalsContact NE2-CB 3.28Å; H536-H576 WeakPolarHBondContact NE2-CB 3.36Å; H536-H576 AromaticContact NE2-CG 3.78Å |
| 537 | E | 83 | Confident | 82.8 | Confident | 67 Ų | 67 | 41.9 Ų | 41.9 | 31% | 0.313 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -5.4 | -178.4 | -70.9 | -57.7 | 151.4 | 0 | 0 | 114.8 | K100 E142 D534 R539 | K100-E537 VanDerWaalsContact NZ-CD 3.34Å; K100-E537 IonicContact NZ-OE1 3.13Å; K100-E537 PolarHBondContact NZ-OE1 2.7Å; K100-E537 IonicContact NZ-OE2 2.76Å; K100-E537 PolarHBondContact NZ-OE2 3.15Å; E142-E537 WeakPolarHBondContact OE1-CG 3.23Å; D534-E537 HydrophobicContact CB-CB 4.31Å; D534-E537 PolarHBondContact OD1-N 3.1Å; E537-R539 HydrophobicContact CB-CG 4.02Å; E537-R539 PolarHBondContact O-N 2.88Å |
| 538 | H | 87.4 | Confident | 82 | Confident | 74 Ų | 74 | 41.1 Ų | 41.1 | 34% | 0.343 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 37.6 | 176.2 | -67.4 | -20.9 | 0 | 0 | 0 | 112.2 | R463 F464 S465 Y533 D534 R535 H536 | R463-H538 CarbonylContact C-O 3.6Å; R463-H538 VanDerWaalsContact CA-O 3.3Å; R463-H538 WeakPolarHBondContact CA-O 3.1Å; F464-H538 CarbonylContact C-O 3.33Å; F464-H538 PolarHBondContact N-O 2.8Å; F464-H538 WeakPolarHBondContact O-CB 3.16Å; S465-H538 WeakPolarHBondContact CB-CD2 3.31Å; Y533-H538 PolarHBondContact OH-ND1 2.92Å; D534-H538 VanDerWaalsContact O-CA 3.3Å; D534-H538 WeakPolarHBondContact O-CA 3.23Å; D534-H538 PolarHBondContact O-N 3.1Å; R535-H538 PolarHBondContact O-CE1 3.32Å; R535-H538 PolarHBondContact O-ND1 3.04Å; H536-H538 VanDerWaalsContact C-N 3.32Å; H536-H538 PolarHBondContact O-N 2.94Å |
| 539 | R | 87.9 | Confident | 80.7 | Confident | 25 Ų | 25 | 45.8 Ų | 45.8 | 9% | 0.094 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 163.5 | -179.2 | 66.2 | 172.8 | 169.6 | 129.6 | -14.8 | 113.7 | V140 E142 P462 R463 Y533 D534 E537 D541 | V140-R539 PolarHBondContact O-NH2 2.97Å; E142-R539 IonicContact OE1-CZ 2.66Å; E142-R539 VanDerWaalsContact OE1-CZ 3.3Å; E142-R539 IonicContact OE1-NE 3.47Å; E142-R539 PolarHBondContact OE1-NE 2.81Å; E142-R539 IonicContact OE1-NH2 3.3Å; E142-R539 PolarHBondContact OE1-NH2 3.24Å; P462-R539 CarbonylContact O-C 3.55Å; P462-R539 WeakPolarHBondContact O-CA 3.19Å; P462-R539 VanDerWaalsContact O-CB 3.3Å; P462-R539 WeakPolarHBondContact O-CB 3.48Å; R463-R539 HydrophobicContact CG-CB 4.27Å; Y533-R539 CarbonylContact C-O 3.52Å; Y533-R539 WeakPolarHBondContact CA-O 3.49Å; Y533-R539 WeakPolarHBondContact CD2-O 3.45Å; D534-R539 PolarHBondContact N-O 2.86Å; E537-R539 HydrophobicContact CB-CG 4.02Å; E537-R539 PolarHBondContact O-N 2.88Å; R539-D541 VanDerWaalsContact CD-OD1 3.32Å; R539-D541 WeakPolarHBondContact CD-OD1 3.45Å; R539-D541 WeakPolarHBondContact CG-OD1 3.35Å; R539-D541 IonicContact CZ-OD1 2.68Å; R539-D541 IonicContact NE-OD1 2.69Å; R539-D541 PolarHBondContact NE-OD1 3.37Å; R539-D541 IonicContact NH1-OD1 3.61Å; R539-D541 PolarHBondContact NH1-OD1 2.77Å |
| 540 | I | 87.8 | Confident | 79.4 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.015 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 138.6 | 164 | -75.2 | -177.2 | 0 | 0 | 0 | 109.5 | M403 N407 I409 P462 T531 H532 Y533 | M403-I540 HydrophobicContact CB-CB 3.91Å; M403-I540 HydrophobicContact CB-CG2 3.57Å; M403-I540 HydrophobicContact SD-CB 4.37Å; M403-I540 HydrophobicContact SD-CD1 3.95Å; N407-I540 HydrophobicContact CB-CD1 4.1Å; I409-I540 HydrophobicContact CD1-CD1 3.86Å; I409-I540 HydrophobicContact CD1-CG1 4.1Å; I409-I540 HydrophobicContact CG1-CD1 3.62Å; I409-I540 HydrophobicContact CG1-CG1 4.32Å; P462-I540 PolarHBondContact O-N 3.23Å; T531-I540 HydrophobicContact CG2-CD1 4.45Å; T531-I540 HydrophobicContact CG2-CG2 3.36Å; H532-I540 CarbonylContact O-C 3.16Å; H532-I540 WeakPolarHBondContact O-CA 3.26Å; Y533-I540 HydrophobicContact CD2-CG1 4.27Å |
| 541 | D | 83 | Confident | 78.3 | Confident | 22 Ų | 22 | 49.9 Ų | 49.9 | 12% | 0.118 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 149.8 | 174.5 | -56.5 | -33.2 | 0 | 0 | 0 | 109.6 | H532 R539 Y577 | H532-D541 PolarHBondContact N-O 3.23Å; H532-D541 PolarHBondContact O-N 3.22Å; R539-D541 VanDerWaalsContact CD-OD1 3.32Å; R539-D541 WeakPolarHBondContact CD-OD1 3.45Å; R539-D541 WeakPolarHBondContact CG-OD1 3.35Å; R539-D541 IonicContact CZ-OD1 2.68Å; R539-D541 IonicContact NE-OD1 2.69Å; R539-D541 PolarHBondContact NE-OD1 3.37Å; R539-D541 IonicContact NH1-OD1 3.61Å; R539-D541 PolarHBondContact NH1-OD1 2.77Å; D541-Y577 PolarHBondContact OD2-OH 2.82Å |
| 542 | E | 85.2 | Confident | 77.7 | Confident | 35 Ų | 35 | 54.4 Ų | 54.4 | 16% | 0.164 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 142.3 | 171.1 | -47.1 | -59.4 | 162.2 | 0 | 0 | 110.1 | V395 F404 N407 T531 | V395-E542 HydrophobicContact CG1-CB 4.01Å; V395-E542 HydrophobicContact CG1-CG 4.2Å; F404-E542 HydrophobicContact CD2-CG 3.68Å; F404-E542 WeakPolarHBondContact CD2-OE1 3.1Å; F404-E542 HydrophobicContact CE2-CB 4.34Å; F404-E542 HydrophobicContact CE2-CG 3.75Å; F404-E542 HydrophobicContact CG-CG 4.45Å; F404-E542 PolarHBondContact N-OE1 2.03Å; N407-E542 PolarHBondContact ND2-OE1 3.24Å; T531-E542 VanDerWaalsContact CA-OE2 3.28Å; T531-E542 WeakPolarHBondContact CA-OE2 3.47Å; T531-E542 VanDerWaalsContact CB-OE2 3.28Å; T531-E542 WeakPolarHBondContact CB-OE2 3.11Å; T531-E542 PolarHBondContact OG1-OE2 3.37Å |
| 543 | E | 76.7 | Confident | 76.7 | Confident | 62 Ų | 62 | 55.1 Ų | 55.1 | 29% | 0.29 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 129.9 | 176 | -172.1 | 167.3 | 178.2 | 0 | 0 | 109.3 | Y529 V530 H532 | Y529-E543 CarbonylContact C-O 3.59Å; Y529-E543 VanDerWaalsContact CA-O 3.32Å; Y529-E543 WeakPolarHBondContact CA-O 3.43Å; V530-E543 HydrophobicContact CG2-CB 4.2Å; V530-E543 PolarHBondContact N-O 3.49Å; V530-E543 PolarHBondContact O-N 2.82Å; H532-E543 IonicContact CE1-OE2 3.29Å; H532-E543 IonicContact ND1-OE2 3.34Å |
| 544 | I | 75.9 | Confident | 75.4 | Confident | 67 Ų | 67 | 59 Ų | 59 | 34% | 0.344 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 137.9 | 174.1 | -168.7 | 172 | 0 | 0 | 0 | 109.8 | C528 Y529 | C528-I544 WeakPolarHBondContact O-CA 3.45Å; Y529-I544 HydrophobicContact CD1-CB 3.96Å; Y529-I544 HydrophobicContact CD1-CG1 4.36Å; Y529-I544 HydrophobicContact CE1-CB 3.78Å; Y529-I544 HydrophobicContact CE1-CD1 4.25Å; Y529-I544 HydrophobicContact CE1-CG1 4Å |
| 545 | V | 71.7 | Confident | 73.7 | Confident | 10 Ų | 10 | 61 Ų | 61 | 6% | 0.061 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 144.1 | -177.9 | -60.3 | 0 | 0 | 0 | 0 | 112.9 | C528 V530 A569 E571 M584 | C528-V545 HydrophobicContact CB-CG2 4.08Å; C528-V545 PolarHBondContact O-N 3.44Å; V530-V545 HydrophobicContact CB-CG1 4.23Å; V530-V545 HydrophobicContact CG1-CB 4.29Å; V530-V545 HydrophobicContact CG1-CG1 3.68Å; V530-V545 HydrophobicContact CG1-CG2 3.6Å; V530-V545 HydrophobicContact CG2-CG1 3.5Å; V545-A569 HydrophobicContact CB-CB 3.92Å; V545-A569 HydrophobicContact CG2-CB 3.75Å; V545-E571 HydrophobicContact CG1-CG 3.83Å; V545-M584 HydrophobicContact CG2-CE 4.38Å |
| 546 | M | 57.6 | Low | 71.6 | Confident | 110 Ų | 110 | 57.5 Ų | 57.5 | 54% | 0.542 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 122.6 | 172 | -63.3 | -58.2 | -70.1 | 0 | 0 | 109.9 | A569 V570 | M546-A569 WeakPolarHBondContact O-CA 3.4Å; M546-V570 PolarHBondContact O-N 3.01Å |
| 547 | I | 68.9 | Low | 69.4 | Low | 43 Ų | 43 | 60.7 Ų | 60.7 | 22% | 0.221 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 138.9 | 170.1 | -52.6 | -57.8 | 0 | 0 | 0 | 108.7 | P522 C528 A551 I567 A569 M584 | P522-I547 HydrophobicContact CB-CD1 4.42Å; P522-I547 HydrophobicContact CB-CG1 4.04Å; P522-I547 HydrophobicContact CG-CD1 4.12Å; P522-I547 HydrophobicContact CG-CG1 4.25Å; C528-I547 HydrophobicContact CB-CD1 4.16Å; C528-I547 HydrophobicContact CB-CG1 4.41Å; I547-A551 HydrophobicContact CG2-CB 3.45Å; I547-A551 VanDerWaalsContact CG2-CB 3.45Å; I547-I567 HydrophobicContact CD1-CG2 4.35Å; I547-A569 HydrophobicContact CD1-CB 4.17Å; I547-M584 HydrophobicContact CD1-CE 3.9Å; I547-M584 HydrophobicContact CD1-SD 3.72Å |
| 548 | T | 59.7 | Low | 67.5 | Low | 32 Ų | 32 | 61.8 Ų | 61.8 | 20% | 0.196 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 151 | 179.1 | 42.4 | 0 | 0 | 0 | 0 | 111.7 | N550 A551 C568 V570 L614 | T548-N550 WeakPolarHBondContact CB-O 3.36Å; T548-N550 CarbonylContact O-C 3.47Å; T548-N550 PolarHBondContact O-N 3.22Å; T548-N550 VanDerWaalsContact O-N 3.11Å; T548-N550 PolarHBondContact OG1-O 2.63Å; T548-A551 WeakPolarHBondContact O-CA 2.92Å; T548-A551 PolarHBondContact O-N 3.31Å; T548-A551 VanDerWaalsContact O-N 3.09Å; T548-C568 HydrophobicContact CG2-CB 4.37Å; T548-C568 PolarHBondContact N-O 3.01Å; T548-C568 PolarHBondContact OG1-O 3.47Å; T548-V570 HydrophobicContact CG2-CG2 4.04Å; T548-L614 HydrophobicContact CG2-CD2 4.12Å |
| 549 | R | 55.6 | Low | 65.2 | Low | 101 Ų | 101 | 61.3 Ų | 61.3 | 38% | 0.381 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -47.8 | -43.5 | -180 | -78.9 | -174 | 177.9 | -178.6 | 2.7 | 112.1 | T938 P939 L940 | R549-T938 PolarHBondContact NH2-OG1 3.02Å; R549-P939 PolarHBondContact NH1-O 3.23Å; R549-L940 WeakPolarHBondContact CD-O 3.44Å; R549-L940 PolarHBondContact NE-O 3.03Å |
| 550 | N | 61.4 | Low | 63.1 | Low | 90 Ų | 90 | 68.8 Ų | 68.8 | 48% | 0.481 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 104.6 | 159 | -66.4 | -19.5 | 0 | 0 | 0 | 107.4 | T548 R552 Q943 | T548-N550 WeakPolarHBondContact CB-O 3.36Å; T548-N550 CarbonylContact O-C 3.47Å; T548-N550 PolarHBondContact O-N 3.22Å; T548-N550 VanDerWaalsContact O-N 3.11Å; T548-N550 PolarHBondContact OG1-O 2.63Å; N550-R552 VanDerWaalsContact C-N 3.27Å; N550-R552 PolarHBondContact O-N 2.97Å; N550-Q943 PolarHBondContact OD1-NE2 3Å |
| 551 | A | 68 | Low | 60.8 | Low | 15 Ų | 15 | 70.9 Ų | 70.9 | 12% | 0.124 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | -39.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V521 I547 T548 I567 C568 | V521-A551 HydrophobicContact CB-CB 3.99Å; V521-A551 HydrophobicContact CG1-CB 4.29Å; V521-A551 HydrophobicContact CG2-CB 4.35Å; I547-A551 HydrophobicContact CG2-CB 3.45Å; I547-A551 VanDerWaalsContact CG2-CB 3.45Å; T548-A551 WeakPolarHBondContact O-CA 2.92Å; T548-A551 PolarHBondContact O-N 3.31Å; T548-A551 VanDerWaalsContact O-N 3.09Å; A551-I567 VanDerWaalsContact O-CA 3.3Å; A551-I567 WeakPolarHBondContact O-CA 3.47Å; A551-C568 PolarHBondContact O-N 3.43Å |
| 552 | R | 79.5 | Confident | 59.1 | Low | 96 Ų | 96 | 73.9 Ų | 73.9 | 36% | 0.362 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 131.3 | 169.3 | -73.4 | 177.2 | 169 | 119.6 | 10 | 110.5 | E519 V521 N550 G566 E619 | E519-R552 PolarHBondContact O-NH2 3.19Å; V521-R552 HydrophobicContact CG1-CG 4.03Å; N550-R552 VanDerWaalsContact C-N 3.27Å; N550-R552 PolarHBondContact O-N 2.97Å; R552-G566 WeakPolarHBondContact CA-O 3.28Å; R552-E619 IonicContact CZ-OE1 2.77Å; R552-E619 IonicContact NE-OE1 2.63Å; R552-E619 PolarHBondContact NE-OE1 3.28Å; R552-E619 IonicContact NH2-OE1 2.72Å; R552-E619 PolarHBondContact NH2-OE1 2.85Å; R552-E619 VanDerWaalsContact NH2-OE1 3.13Å; R552-E619 IonicContact NH2-OE2 2.88Å; R552-E619 PolarHBondContact NH2-OE2 2.85Å |
| 553 | C | 70 | Confident | 57.7 | Low | 17 Ų | 17 | 78.7 Ų | 78.7 | 12% | 0.115 | 45% | 0.449 | C | S | . | . | trans | -128.6 | 160.5 | 176 | 63.4 | 0 | 0 | 0 | 0 | 111.4 | A555 G566 C568 | C553-A555 PolarHBondContact O-N 3.47Å; C553-A555 VanDerWaalsContact O-N 3.12Å; C553-G566 PolarHBondContact N-O 3.48Å; C553-C568 HydrophobicContact CB-CB 3.54Å; C553-C568 WeakPolarHBondContact CB-SG 3.47Å; C553-C568 WeakPolarHBondContact SG-CB 3.33Å; C553-C568 PolarHBondContact SG-N 2.77Å; C553-C568 VanDerWaalsContact SG-N 3.42Å; C553-C568 CovalentContact SG-SG 2.02Å; C553-C568 PolarHBondContact SG-SG 3.19Å | ||
| 554 | L | 64.9 | Low | 56.9 | Low | 86 Ų | 86 | 76.9 Ų | 76.9 | 45% | 0.45 | 44% | 0.44 | S | S | . | . | S | Bend | trans | 59.1 | 12 | -170.8 | -55.5 | -179.4 | 0 | 0 | 0 | 114.6 | W486 A556 F564 L602 | W486-L554 HydrophobicContact CH2-CD1 3.7Å; W486-L554 HydrophobicContact CZ2-CD1 4.46Å; W486-L554 HydrophobicContact CZ3-CD1 4.33Å; L554-A556 PolarHBondContact O-N 3.08Å; L554-F564 HydrophobicContact CB-CD1 3.76Å; L554-F564 HydrophobicContact CB-CE1 3.91Å; L554-F564 HydrophobicContact CD1-CD1 4.38Å; L554-F564 HydrophobicContact CD1-CE1 3.76Å; L554-F564 HydrophobicContact CD1-CZ 4.47Å; L554-F564 HydrophobicContact CG-CE1 4.38Å; L554-L602 HydrophobicContact CD1-CD1 3.57Å; L554-L602 HydrophobicContact CD1-CD2 4.12Å; L554-L602 HydrophobicContact CD2-CD1 4.34Å; L554-L602 HydrophobicContact CG-CD1 3.92Å |
| 555 | A | 53.7 | Low | 56.9 | Low | 57 Ų | 57 | 77.5 Ų | 77.5 | 47% | 0.471 | 44% | 0.438 | S | S | . | . | trans | -74.5 | 105.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | C553 Q557 | C553-A555 PolarHBondContact O-N 3.47Å; C553-A555 VanDerWaalsContact O-N 3.12Å; A555-Q557 PolarHBondContact O-N 2.78Å | ||
| 556 | A | 40.7 | Very low | 57.4 | Low | 66 Ų | 66 | 77 Ų | 77 | 55% | 0.545 | 44% | 0.435 | S | S | . | . | trans | -67.9 | 123.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | L554 G558 | L554-A556 PolarHBondContact O-N 3.08Å; A556-G558 PolarHBondContact O-N 2.92Å | ||
| 557 | Q | 39.2 | Very low | 58.8 | Low | 197 Ų | 197 | 71.8 Ų | 71.8 | 92% | 0.921 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | 128 | 165.4 | -73.8 | 176.8 | -38.9 | 0 | 0 | 108.5 | A555 | A555-Q557 PolarHBondContact O-N 2.78Š|
| 558 | G | 43.4 | Very low | 59.4 | Low | 90 Ų | 90 | 69.8 Ų | 69.8 | 93% | 0.928 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | 14 | 168.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | A556 | A556-G558 PolarHBondContact O-N 2.92Š|
| 559 | S | 37.7 | Very low | 60.3 | Low | 64 Ų | 64 | 68.3 Ų | 68.3 | 45% | 0.448 | 39% | 0.39 | S | S | . | . | trans | -114 | 129.6 | 178.2 | -179.8 | 0 | 0 | 0 | 0 | 113.1 | A561 | S559-A561 PolarHBondContact O-N 3.39Å; S559-A561 WeakPolarHBondContact OG-CB 3.2Å; S559-A561 PolarHBondContact OG-N 3.32Å | ||
| 560 | N | 44.4 | Very low | 60.9 | Low | 182 Ų | 182 | 65.6 Ų | 65.6 | 97% | 0.973 | 39% | 0.385 | S | S | * | . | trans | -72.4 | 14.4 | 173.1 | -71.8 | -22.7 | 0 | 0 | 0 | 113.7 | ||||
| 561 | A | 39.9 | Very low | 61.4 | Low | 46 Ų | 46 | 61.7 Ų | 61.7 | 38% | 0.38 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -75 | 151.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S559 Q563 | S559-A561 PolarHBondContact O-N 3.39Å; S559-A561 WeakPolarHBondContact OG-CB 3.2Å; S559-A561 PolarHBondContact OG-N 3.32Å; A561-Q563 PolarHBondContact O-N 2.86Å; A561-Q563 VanDerWaalsContact O-N 3.07Å |
| 562 | P | 48.3 | Very low | 61.4 | Low | 86 Ų | 86 | 63.5 Ų | 63.5 | 56% | 0.558 | 37% | 0.369 | S | S | * | . | trans | -52.6 | 117.2 | -179.5 | -28.5 | 35.9 | 0 | 0 | 0 | 112.6 | P485 F564 | P485-P562 HydrophobicContact CB-CB 4.14Å; P562-F564 PolarHBondContact O-N 3.41Å | ||
| 563 | Q | 54.6 | Low | 60.9 | Low | 136 Ų | 136 | 62.3 Ų | 62.3 | 64% | 0.636 | 37% | 0.367 | S | S | * | . | trans | -66.6 | 99.9 | -164.3 | -164.5 | -179.4 | 70.9 | 0 | 0 | 111.8 | A561 R565 | A561-Q563 PolarHBondContact O-N 2.86Å; A561-Q563 VanDerWaalsContact O-N 3.07Å; Q563-R565 HydrophobicContact CG-CG 4.46Å; Q563-R565 PolarHBondContact O-N 2.83Å; Q563-R565 VanDerWaalsContact OE1-CZ 3.27Å | ||
| 564 | F | 60.9 | Low | 61.1 | Low | 24 Ų | 24 | 64.9 Ų | 64.9 | 11% | 0.105 | 38% | 0.376 | C | S | . | . | trans | -71.7 | 120.3 | 176 | 178.8 | -98.9 | 0 | 0 | 0 | 110.4 | L484 P485 W486 L554 P562 F616 | L484-F564 HydrophobicContact CB-CE2 4.34Å; L484-F564 HydrophobicContact CD1-CE2 4.01Å; P485-F564 WeakPolarHBondContact O-CD2 3.32Å; W486-F564 HydrophobicContact CE3-CD2 4.18Å; W486-F564 AromaticContact CE3-CE2 3.65Å; W486-F564 HydrophobicContact CE3-CE2 3.65Å; W486-F564 AromaticContact CE3-CZ 3.94Å; W486-F564 HydrophobicContact CE3-CZ 3.94Å; W486-F564 HydrophobicContact CH2-CZ 4.4Å; W486-F564 HydrophobicContact CZ3-CD2 4.48Å; W486-F564 HydrophobicContact CZ3-CE1 4.16Å; W486-F564 AromaticContact CZ3-CE2 3.69Å; W486-F564 HydrophobicContact CZ3-CE2 3.69Å; W486-F564 AromaticContact CZ3-CZ 3.47Å; W486-F564 HydrophobicContact CZ3-CZ 3.47Å; W486-F564 VanDerWaalsContact CZ3-CZ 3.47Å; L554-F564 HydrophobicContact CB-CD1 3.76Å; L554-F564 HydrophobicContact CB-CE1 3.91Å; L554-F564 HydrophobicContact CD1-CD1 4.38Å; L554-F564 HydrophobicContact CD1-CE1 3.76Å; L554-F564 HydrophobicContact CD1-CZ 4.47Å; L554-F564 HydrophobicContact CG-CE1 4.38Å; P562-F564 PolarHBondContact O-N 3.41Å; F564-F616 HydrophobicContact CD1-CE2 4.44Å; F564-F616 HydrophobicContact CD1-CZ 4.38Å; F564-F616 HydrophobicContact CE1-CD2 4.27Å; F564-F616 HydrophobicContact CE1-CE1 4.04Å; F564-F616 AromaticContact CE1-CE2 3.31Å; F564-F616 HydrophobicContact CE1-CE2 3.31Å; F564-F616 AromaticContact CE1-CZ 3.2Å; F564-F616 HydrophobicContact CE1-CZ 3.2Å; F564-F616 HydrophobicContact CE2-CE1 4.35Å; F564-F616 HydrophobicContact CE2-CZ 4.06Å; F564-F616 HydrophobicContact CZ-CD1 4.34Å; F564-F616 AromaticContact CZ-CE1 3.43Å; F564-F616 HydrophobicContact CZ-CE1 3.43Å; F564-F616 VanDerWaalsContact CZ-CE1 3.43Å; F564-F616 AromaticContact CZ-CE2 3.64Å; F564-F616 HydrophobicContact CZ-CE2 3.64Å; F564-F616 AromaticContact CZ-CZ 3.01Å; F564-F616 HydrophobicContact CZ-CZ 3.01Å | ||
| 565 | R | 74.4 | Confident | 61.5 | Low | 80 Ų | 80 | 71 Ų | 71 | 30% | 0.302 | 40% | 0.399 | S | S | . | . | trans | -114.7 | 111.2 | -176.4 | -69.2 | -173 | -174.7 | 178.1 | 2 | 111.1 | E519 Q563 E619 | E519-R565 IonicContact OE1-CZ 3.68Å; E519-R565 IonicContact OE1-NH1 3.59Å; E519-R565 PolarHBondContact OE1-NH1 2.62Å; E519-R565 IonicContact OE1-NH2 2.7Å; Q563-R565 HydrophobicContact CG-CG 4.46Å; Q563-R565 PolarHBondContact O-N 2.83Å; Q563-R565 VanDerWaalsContact OE1-CZ 3.27Å; R565-E619 HydrophobicContact CB-CG 4.35Å; R565-E619 PolarHBondContact O-N 2.85Å | ||
| 566 | G | 82.4 | Confident | 62.9 | Low | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 158.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R552 C553 Y617 | R552-G566 WeakPolarHBondContact CA-O 3.28Å; C553-G566 PolarHBondContact N-O 3.48Å; G566-Y617 CarbonylContact C-O 3.54Å; G566-Y617 WeakPolarHBondContact CA-O 3.2Å |
| 567 | I | 87.9 | Confident | 65.2 | Low | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 134.9 | -174.3 | -61.9 | 159.1 | 0 | 0 | 0 | 108.4 | P522 I547 A551 M584 Y617 E619 | P522-I567 HydrophobicContact CG-CD1 4.45Å; I547-I567 HydrophobicContact CD1-CG2 4.35Å; A551-I567 VanDerWaalsContact O-CA 3.3Å; A551-I567 WeakPolarHBondContact O-CA 3.47Å; I567-M584 HydrophobicContact CG2-CE 4.19Å; I567-M584 HydrophobicContact CG2-SD 3.97Å; I567-Y617 PolarHBondContact N-O 2.83Å; I567-Y617 PolarHBondContact O-N 2.76Å; I567-E619 HydrophobicContact CD1-CG 4.15Å; I567-E619 HydrophobicContact CG1-CG 4.05Å |
| 568 | C | 81.2 | Confident | 67.6 | Low | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.007 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 140.5 | 169.8 | -82.2 | 0 | 0 | 0 | 0 | 111.7 | T548 A551 C553 L614 G615 | T548-C568 HydrophobicContact CG2-CB 4.37Å; T548-C568 PolarHBondContact N-O 3.01Å; T548-C568 PolarHBondContact OG1-O 3.47Å; A551-C568 PolarHBondContact O-N 3.43Å; C553-C568 HydrophobicContact CB-CB 3.54Å; C553-C568 WeakPolarHBondContact CB-SG 3.47Å; C553-C568 WeakPolarHBondContact SG-CB 3.33Å; C553-C568 PolarHBondContact SG-N 2.77Å; C553-C568 VanDerWaalsContact SG-N 3.42Å; C553-C568 CovalentContact SG-SG 2.02Å; C553-C568 PolarHBondContact SG-SG 3.19Å; C568-L614 HydrophobicContact CB-CB 4.36Å; C568-L614 HydrophobicContact CB-CD1 4.12Å; C568-G615 WeakPolarHBondContact CA-O 3.18Å |
| 569 | A | 78 | Confident | 70 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 150.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | V545 M546 I547 E571 M584 L614 G615 | V545-A569 HydrophobicContact CB-CB 3.92Å; V545-A569 HydrophobicContact CG2-CB 3.75Å; M546-A569 WeakPolarHBondContact O-CA 3.4Å; I547-A569 HydrophobicContact CD1-CB 4.17Å; A569-E571 HydrophobicContact CB-CG 4.48Å; A569-E571 PolarHBondContact O-N 2.83Å; A569-M584 HydrophobicContact CB-CE 3.59Å; A569-L614 CarbonylContact O-C 3.49Å; A569-L614 VanDerWaalsContact O-CA 3.26Å; A569-L614 WeakPolarHBondContact O-CA 3.47Å; A569-G615 PolarHBondContact N-O 2.94Å; A569-G615 VanDerWaalsContact N-O 3.13Å; A569-G615 PolarHBondContact O-N 2.85Å |
| 570 | V | 67.7 | Low | 72.8 | Confident | 45 Ų | 45 | 54.1 Ų | 54.1 | 27% | 0.273 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 114.7 | -178.1 | -175 | 0 | 0 | 0 | 0 | 109.7 | A258 M546 T548 L614 | A258-V570 HydrophobicContact CB-CG1 4.38Å; M546-V570 PolarHBondContact O-N 3.01Å; T548-V570 HydrophobicContact CG2-CG2 4.04Å; V570-L614 HydrophobicContact CB-CD2 4.44Å; V570-L614 HydrophobicContact CG2-CD2 3.98Å |
| 571 | E | 72.9 | Confident | 75.2 | Confident | 7 Ų | 7 | 45.5 Ų | 45.5 | 3% | 0.033 | 22% | 0.222 | C | C | . | . | trans | -142.5 | 130.6 | -166.9 | -74.1 | -179.9 | -161.8 | 0 | 0 | 115.1 | V545 A569 K573 Q579 Q601 K613 G615 Y617 | V545-E571 HydrophobicContact CG1-CG 3.83Å; A569-E571 HydrophobicContact CB-CG 4.48Å; A569-E571 PolarHBondContact O-N 2.83Å; E571-K573 PolarHBondContact O-N 2.84Å; E571-Q579 PolarHBondContact OE2-NE2 3.19Å; E571-Q601 PolarHBondContact O-NE2 3.43Å; E571-Q601 VanDerWaalsContact O-NE2 3.15Å; E571-K613 PolarHBondContact N-O 3.03Å; E571-K613 VanDerWaalsContact N-O 3.11Å; E571-K613 WeakPolarHBondContact O-CB 3.38Å; E571-G615 VanDerWaalsContact OE2-CA 3.29Å; E571-G615 WeakPolarHBondContact OE2-CA 3.25Å; E571-Y617 WeakPolarHBondContact OE1-CE2 3.25Å; E571-Y617 VanDerWaalsContact OE1-CZ 3.23Å; E571-Y617 PolarHBondContact OE1-OH 3.4Å | ||
| 572 | Q | 67.8 | Low | 77.9 | Confident | 53 Ų | 53 | 43.3 Ų | 43.3 | 25% | 0.248 | 20% | 0.204 | C | C | . | . | trans | -102.4 | 63 | 177.6 | -65.2 | -155.9 | 18.7 | 0 | 0 | 114.1 | K256 K257 K574 | K256-Q572 PolarHBondContact O-NE2 2.91Å; K257-Q572 PolarHBondContact O-NE2 2.89Å; Q572-K574 PolarHBondContact O-N 3.22Å | ||
| 573 | K | 68.7 | Low | 80.2 | Confident | 71 Ų | 71 | 39.2 Ų | 39.2 | 31% | 0.309 | 18% | 0.177 | S | C | . | . | trans | -40.6 | 119.2 | 176.6 | -170.1 | 173.4 | -163.2 | 161.2 | 0 | 114.4 | E571 Y598 Q601 | E571-K573 PolarHBondContact O-N 2.84Å; K573-Y598 PolarHBondContact NZ-OH 2.92Å; K573-Q601 HydrophobicContact CD-CB 4.5Å | ||
| 574 | K | 74.6 | Confident | 82.2 | Confident | 71 Ų | 71 | 32.7 Ų | 32.7 | 31% | 0.309 | 15% | 0.147 | S | C | . | . | trans | -81.5 | 141.7 | 174.6 | -53.7 | 179 | -158.4 | 162.7 | 0 | 110.2 | Q572 H576 Y577 | Q572-K574 PolarHBondContact O-N 3.22Å; K574-H576 PolarHBondContact O-N 3.04Å; K574-H576 VanDerWaalsContact O-N 3.09Å; K574-Y577 HydrophobicContact CB-CD1 4.44Å; K574-Y577 HydrophobicContact CB-CD2 3.98Å; K574-Y577 HydrophobicContact CB-CE2 4.35Å; K574-Y577 HydrophobicContact CB-CG 4.05Å; K574-Y577 HydrophobicContact CD-CD2 4.06Å; K574-Y577 HydrophobicContact CD-CE1 4.2Å; K574-Y577 HydrophobicContact CD-CE2 3.53Å; K574-Y577 HydrophobicContact CG-CD2 4.11Å; K574-Y577 HydrophobicContact CG-CE2 4.06Å; K574-Y577 PolarHBondContact NZ-OH 2.98Å; K574-Y577 PolarHBondContact O-N 2.9Å; K574-Y577 VanDerWaalsContact O-N 3.1Å | ||
| 575 | K | 73.2 | Confident | 83.8 | Confident | 215 Ų | 215 | 31.6 Ų | 31.6 | 94% | 0.935 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -26 | -176 | -73.6 | -173.6 | 177 | -178.7 | 0 | 114.4 | ||
| 576 | H | 82.8 | Confident | 84.7 | Confident | 53 Ų | 53 | 27.8 Ų | 27.8 | 25% | 0.245 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -10.8 | -178.4 | 49.4 | -95.6 | 0 | 0 | 0 | 114.3 | D534 R535 H536 K574 | D534-H576 IonicContact OD1-CD2 3.78Å; D534-H576 PolarHBondContact OD1-CD2 3.21Å; D534-H576 IonicContact OD2-CD2 3.56Å; D534-H576 IonicContact OD2-NE2 3.4Å; R535-H576 WeakPolarHBondContact CB-O 3.48Å; R535-H576 WeakPolarHBondContact CD-O 3.24Å; R535-H576 WeakPolarHBondContact CG-O 3.21Å; R535-H576 PolarHBondContact N-O 2.95Å; H536-H576 WeakPolarHBondContact CD2-CB 3.49Å; H536-H576 AromaticContact CD2-CD2 3.91Å; H536-H576 AromaticContact CD2-CG 3.45Å; H536-H576 VanDerWaalsContact CD2-CG 3.45Å; H536-H576 AromaticContact CD2-ND1 3.91Å; H536-H576 VanDerWaalsContact NE2-CB 3.28Å; H536-H576 WeakPolarHBondContact NE2-CB 3.36Å; H536-H576 AromaticContact NE2-CG 3.78Å; K574-H576 PolarHBondContact O-N 3.04Å; K574-H576 VanDerWaalsContact O-N 3.09Å |
| 577 | Y | 88.7 | Confident | 85 | Confident | 24 Ų | 24 | 28.6 Ų | 28.6 | 9% | 0.094 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 138.4 | -179.2 | -72.8 | -5.4 | 0 | 0 | 0 | 112.4 | H532 Y533 D534 D541 K574 | H532-Y577 HydrophobicContact CB-CD2 3.72Å; H532-Y577 HydrophobicContact CB-CE2 4.07Å; H532-Y577 HydrophobicContact CB-CG 4.07Å; H532-Y577 AromaticContact CD2-CD2 3.52Å; H532-Y577 AromaticContact CG-CD2 3.61Å; Y533-Y577 WeakPolarHBondContact O-CA 3.22Å; D534-Y577 HydrophobicContact CB-CD1 4.1Å; D534-Y577 HydrophobicContact CB-CE1 3.73Å; D541-Y577 PolarHBondContact OD2-OH 2.82Å; K574-Y577 HydrophobicContact CB-CD1 4.44Å; K574-Y577 HydrophobicContact CB-CD2 3.98Å; K574-Y577 HydrophobicContact CB-CE2 4.35Å; K574-Y577 HydrophobicContact CB-CG 4.05Å; K574-Y577 HydrophobicContact CD-CD2 4.06Å; K574-Y577 HydrophobicContact CD-CE1 4.2Å; K574-Y577 HydrophobicContact CD-CE2 3.53Å; K574-Y577 HydrophobicContact CG-CD2 4.11Å; K574-Y577 HydrophobicContact CG-CE2 4.06Å; K574-Y577 PolarHBondContact NZ-OH 2.98Å; K574-Y577 PolarHBondContact O-N 2.9Å; K574-Y577 VanDerWaalsContact O-N 3.1Å |
| 578 | I | 91.2 | Very high | 84.8 | Confident | 8 Ų | 8 | 29.1 Ų | 29.1 | 4% | 0.041 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 126.4 | 161.6 | -58.9 | 178.8 | 0 | 0 | 0 | 107.2 | T418 K419 I421 Y533 R535 | T418-I578 HydrophobicContact CG2-CD1 3.72Å; K419-I578 WeakPolarHBondContact O-CG2 3.19Å; I421-I578 VanDerWaalsContact CD1-O 3.29Å; I421-I578 WeakPolarHBondContact CD1-O 2.93Å; Y533-I578 HydrophobicContact CD1-CB 4.26Å; Y533-I578 HydrophobicContact CD1-CD1 3.89Å; Y533-I578 HydrophobicContact CD1-CG1 4.19Å; Y533-I578 HydrophobicContact CE1-CD1 4.31Å; Y533-I578 PolarHBondContact N-O 3.38Å; Y533-I578 PolarHBondContact O-N 3.35Å; R535-I578 HydrophobicContact CG-CD1 4.15Å; R535-I578 HydrophobicContact CG-CG1 4.12Å; R535-I578 VanDerWaalsContact NE-CG1 3.25Å |
| 579 | Q | 93.6 | Very high | 84.7 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | trans | -129.5 | -10.4 | 179.6 | -162.3 | -175 | 3.7 | 0 | 0 | 111.7 | H532 E571 G581 A582 Y598 Y617 | H532-Q579 PolarHBondContact NE2-NE2 2.96Å; H532-Q579 PolarHBondContact NE2-OE1 3.12Å; E571-Q579 PolarHBondContact OE2-NE2 3.19Å; Q579-G581 PolarHBondContact O-N 3.49Å; Q579-A582 HydrophobicContact CG-CB 4.25Å; Q579-A582 WeakPolarHBondContact O-CB 3.42Å; Q579-A582 PolarHBondContact O-N 2.95Å; Q579-Y598 HydrophobicContact CB-CD1 4.03Å; Q579-Y598 HydrophobicContact CB-CE1 4.02Å; Q579-Y598 HydrophobicContact CB-CG 4.41Å; Q579-Y598 VanDerWaalsContact CD-CD2 3.41Å; Q579-Y598 HydrophobicContact CG-CD1 3.91Å; Q579-Y598 HydrophobicContact CG-CD2 3.91Å; Q579-Y598 HydrophobicContact CG-CE1 4.16Å; Q579-Y598 HydrophobicContact CG-CE2 4.12Å; Q579-Y598 HydrophobicContact CG-CG 3.77Å; Q579-Y598 VanDerWaalsContact NE2-CE2 3.31Å; Q579-Y598 VanDerWaalsContact O-CD1 3.27Å; Q579-Y598 WeakPolarHBondContact O-CD1 3.43Å; Q579-Y598 PolarHBondContact OE1-OH 3.14Å; Q579-Y617 PolarHBondContact NE2-OH 2.94Å; Q579-Y617 VanDerWaalsContact NE2-OH 3.09Å | ||
| 580 | L | 95 | Very high | 84.7 | Confident | 34 Ų | 34 | 38.7 Ų | 38.7 | 18% | 0.178 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 123.2 | -175.9 | -175 | 61.6 | 0 | 0 | 0 | 110.2 | C420 I421 A443 E445 A582 L599 | C420-L580 WeakPolarHBondContact CA-O 3.49Å; C420-L580 WeakPolarHBondContact CB-O 3.36Å; C420-L580 VanDerWaalsContact SG-CG 3.58Å; C420-L580 PolarHBondContact SG-O 2.99Å; I421-L580 PolarHBondContact N-O 3.01Å; A443-L580 HydrophobicContact CB-CD1 3.65Å; A443-L580 HydrophobicContact CB-CG 4.01Å; E445-L580 HydrophobicContact CB-CD1 4.49Å; E445-L580 HydrophobicContact CB-CD2 4.12Å; E445-L580 HydrophobicContact CG-CD2 4.11Å; L580-A582 VanDerWaalsContact C-N 3.32Å; L580-L599 WeakPolarHBondContact CD1-O 3.29Å |
| 581 | G | 95.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | 3.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | I421 T442 A443 Q579 Y598 | I421-G581 CarbonylContact O-C 3.49Å; I421-G581 VanDerWaalsContact O-C 3.26Å; I421-G581 WeakPolarHBondContact O-CA 3.02Å; I421-G581 VanDerWaalsContact O-O 3.11Å; T442-G581 WeakPolarHBondContact OG1-CA 3.45Å; A443-G581 VanDerWaalsContact N-CA 3.33Å; Q579-G581 PolarHBondContact O-N 3.49Å; G581-Y598 PolarHBondContact N-O 2.88Å |
| 582 | A | 96.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | P | Polyproline II helix | trans | -65.2 | 147.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I421 T531 Q579 L580 Y598 | I421-A582 HydrophobicContact CB-CB 4.13Å; I421-A582 HydrophobicContact CD1-CB 4.35Å; I421-A582 HydrophobicContact CG2-CB 4.15Å; T531-A582 WeakPolarHBondContact O-CB 3.39Å; Q579-A582 HydrophobicContact CG-CB 4.25Å; Q579-A582 WeakPolarHBondContact O-CB 3.42Å; Q579-A582 PolarHBondContact O-N 2.95Å; L580-A582 VanDerWaalsContact C-N 3.32Å; A582-Y598 PolarHBondContact O-N 3.1Å |
| 583 | P | 97.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 149.7 | 172.9 | 34.5 | -37.6 | 0 | 0 | 0 | 111.6 | V585 Q594 | P583-V585 HydrophobicContact CB-CG2 3.76Å; P583-V585 HydrophobicContact CG-CG2 4.01Å; P583-Q594 HydrophobicContact CB-CG 3.98Å |
| 584 | M | 95.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 118 | 152.4 | 173.8 | -175.4 | -73.3 | 0 | 0 | 107.5 | P522 V530 V545 I547 I567 A569 Q594 Y595 G596 Y617 | P522-M584 HydrophobicContact CG-SD 4.36Å; V530-M584 HydrophobicContact CG1-CB 4.4Å; V530-M584 HydrophobicContact CG1-CE 4.45Å; V530-M584 HydrophobicContact CG1-CG 4.39Å; V545-M584 HydrophobicContact CG2-CE 4.38Å; I547-M584 HydrophobicContact CD1-CE 3.9Å; I547-M584 HydrophobicContact CD1-SD 3.72Å; I567-M584 HydrophobicContact CG2-CE 4.19Å; I567-M584 HydrophobicContact CG2-SD 3.97Å; A569-M584 HydrophobicContact CB-CE 3.59Å; M584-Q594 WeakPolarHBondContact O-CA 3.23Å; M584-Y595 PolarHBondContact O-N 2.83Å; M584-G596 PolarHBondContact N-O 3.34Å; M584-Y617 HydrophobicContact CB-CD1 3.58Å; M584-Y617 HydrophobicContact CB-CE1 3.61Å; M584-Y617 HydrophobicContact CB-CG 4.25Å; M584-Y617 HydrophobicContact CE-CD1 4.19Å; M584-Y617 HydrophobicContact CE-CD2 3.44Å; M584-Y617 VanDerWaalsContact CE-CD2 3.44Å; M584-Y617 HydrophobicContact CE-CE1 4.24Å; M584-Y617 HydrophobicContact CE-CE2 3.5Å; M584-Y617 HydrophobicContact CE-CG 3.83Å |
| 585 | V | 96 | Very high | 90.4 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 126 | -177.6 | -176.1 | 0 | 0 | 0 | 0 | 109.6 | W406 V513 C528 Y529 P583 A592 Y593 | W406-V585 HydrophobicContact CZ2-CG1 3.87Å; V513-V585 HydrophobicContact CG2-CG1 4.05Å; V513-V585 HydrophobicContact CG2-CG2 4.34Å; C528-V585 CarbonylContact C-O 3.39Å; C528-V585 WeakPolarHBondContact CA-O 3.41Å; Y529-V585 PolarHBondContact N-O 3.27Å; Y529-V585 PolarHBondContact O-N 3.47Å; P583-V585 HydrophobicContact CB-CG2 3.76Å; P583-V585 HydrophobicContact CG-CG2 4.01Å; V585-A592 HydrophobicContact CG1-CB 3.72Å; V585-Y593 WeakPolarHBondContact CA-O 3.34Å |
| 586 | C | 92.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 134.4 | 176.8 | -52.3 | 0 | 0 | 0 | 0 | 110.3 | A526 S527 C528 Y593 Y595 | A526-C586 HydrophobicContact CB-CB 4.15Å; S527-C586 WeakPolarHBondContact O-CA 3.33Å; C528-C586 HydrophobicContact CB-CB 4.1Å; C528-C586 WeakPolarHBondContact CB-SG 3.34Å; C528-C586 WeakPolarHBondContact SG-CB 3.34Å; C528-C586 CovalentContact SG-SG 2.04Å; C528-C586 PolarHBondContact SG-SG 3.2Å; C586-Y593 PolarHBondContact N-O 2.85Å; C586-Y593 PolarHBondContact O-N 2.95Å; C586-Y595 HydrophobicContact CB-CD2 3.75Å; C586-Y595 HydrophobicContact CB-CE2 3.74Å |
| 587 | I | 88 | Confident | 92.1 | Very high | 16 Ų | 16 | 19.4 Ų | 19.4 | 8% | 0.082 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 117 | 174 | -55.4 | 176.2 | 0 | 0 | 0 | 107.6 | L391 S527 Y529 R591 | L391-I587 HydrophobicContact CB-CD1 3.92Å; L391-I587 HydrophobicContact CD1-CG1 4.3Å; L391-I587 HydrophobicContact CD1-CG2 4.02Å; S527-I587 PolarHBondContact O-N 3.36Å; Y529-I587 HydrophobicContact CD2-CD1 4.43Å; Y529-I587 HydrophobicContact CE2-CD1 3.87Å; Y529-I587 HydrophobicContact CE2-CG1 4.26Å; I587-R591 WeakPolarHBondContact CA-O 3.22Å |
| 588 | V | 83.6 | Confident | 92.4 | Very high | 12 Ų | 12 | 18.3 Ų | 18.3 | 7% | 0.073 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 122.7 | -179.3 | 176.2 | 0 | 0 | 0 | 0 | 107 | P523 Y525 A526 G590 R591 Y593 Y595 | P523-V588 HydrophobicContact CG-CG2 4.18Å; Y525-V588 HydrophobicContact CE2-CG1 4.28Å; A526-V588 HydrophobicContact CB-CG2 3.93Å; V588-G590 PolarHBondContact O-N 3.44Å; V588-R591 PolarHBondContact N-O 2.83Å; V588-R591 PolarHBondContact O-N 2.89Å; V588-R591 VanDerWaalsContact O-O 3.14Å; V588-Y593 HydrophobicContact CB-CD2 3.91Å; V588-Y593 HydrophobicContact CB-CE2 3.93Å; V588-Y593 HydrophobicContact CG1-CE2 4.49Å; V588-Y593 HydrophobicContact CG2-CD2 4.36Å; V588-Y595 HydrophobicContact CG2-CE2 4.44Å |
| 589 | H | 79.9 | Confident | 92.4 | Very high | 156 Ų | 156 | 18.7 Ų | 18.7 | 72% | 0.722 | 10% | 0.098 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 34 | -177.5 | -54.1 | 121.1 | 0 | 0 | 0 | 115 | Y525 | Y525-H589 PolarHBondContact OH-CE1 2.84Š|
| 590 | G | 77.4 | Confident | 92.1 | Very high | 46 Ų | 46 | 21.2 Ų | 21.2 | 47% | 0.474 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | 6.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | L391 V588 | L391-G590 WeakPolarHBondContact CD1-O 3.19Å; V588-G590 PolarHBondContact O-N 3.44Å |
| 591 | R | 89.9 | Confident | 91.5 | Very high | 53 Ų | 53 | 21.7 Ų | 21.7 | 20% | 0.2 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 146.4 | 173.2 | -178.9 | 171.6 | -78.1 | 163 | -3.6 | 111.2 | E430 I587 V588 Y593 | E430-R591 IonicContact OE1-NH1 3.34Å; E430-R591 PolarHBondContact OE1-NH1 2.93Å; E430-R591 IonicContact OE2-NH1 2.73Å; E430-R591 PolarHBondContact OE2-NH1 2.01Å; I587-R591 WeakPolarHBondContact CA-O 3.22Å; V588-R591 PolarHBondContact N-O 2.83Å; V588-R591 PolarHBondContact O-N 2.89Å; V588-R591 VanDerWaalsContact O-O 3.14Å; R591-Y593 HydrophobicContact CB-CE2 3.79Å; R591-Y593 WeakPolarHBondContact CD-OH 3.49Å; R591-Y593 HydrophobicContact CG-CD2 4.49Å; R591-Y593 HydrophobicContact CG-CE1 4.46Å; R591-Y593 HydrophobicContact CG-CE2 3.85Å; R591-Y593 WeakPolarHBondContact O-CD2 3.45Å |
| 592 | A | 94.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 122.2 | -179 | 0 | 0 | 0 | 0 | 0 | 112.4 | G382 L391 W406 V513 C514 V585 | G382-A592 WeakPolarHBondContact CA-O 3.2Å; G382-A592 WeakPolarHBondContact O-CB 3.15Å; G382-A592 PolarHBondContact O-N 3.44Å; L391-A592 HydrophobicContact CD1-CB 3.89Å; L391-A592 HydrophobicContact CD2-CB 3.89Å; W406-A592 HydrophobicContact CH2-CB 3.38Å; W406-A592 HydrophobicContact CZ2-CB 3.88Å; W406-A592 HydrophobicContact CZ3-CB 4.1Å; V513-A592 HydrophobicContact CG2-CB 4.31Å; V513-A592 WeakPolarHBondContact CG2-O 3.36Å; C514-A592 PolarHBondContact N-O 3.17Å; V585-A592 HydrophobicContact CG1-CB 3.72Å |
| 593 | Y | 96 | Very high | 89 | Confident | 38 Ų | 38 | 26.5 Ų | 26.5 | 15% | 0.149 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 133.3 | 177.6 | -58.3 | -93.8 | 0 | 0 | 0 | 111.1 | E430 C514 V585 C586 V588 R591 | E430-Y593 PolarHBondContact OE2-OH 2.92Å; C514-Y593 HydrophobicContact CB-CD1 3.75Å; C514-Y593 HydrophobicContact CB-CE1 4.1Å; C514-Y593 WeakPolarHBondContact O-CA 3.13Å; V585-Y593 WeakPolarHBondContact CA-O 3.34Å; C586-Y593 PolarHBondContact N-O 2.85Å; C586-Y593 PolarHBondContact O-N 2.95Å; V588-Y593 HydrophobicContact CB-CD2 3.91Å; V588-Y593 HydrophobicContact CB-CE2 3.93Å; V588-Y593 HydrophobicContact CG1-CE2 4.49Å; V588-Y593 HydrophobicContact CG2-CD2 4.36Å; R591-Y593 HydrophobicContact CB-CE2 3.79Å; R591-Y593 WeakPolarHBondContact CD-OH 3.49Å; R591-Y593 HydrophobicContact CG-CD2 4.49Å; R591-Y593 HydrophobicContact CG-CE1 4.46Å; R591-Y593 HydrophobicContact CG-CE2 3.85Å; R591-Y593 WeakPolarHBondContact O-CD2 3.45Å |
| 594 | Q | 97.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 116.2 | 172.1 | -177.2 | 174.8 | -3.9 | 0 | 0 | 110.4 | S423 V513 C514 A516 P583 M584 G596 I620 | S423-Q594 VanDerWaalsContact OG-CD 3.32Å; S423-Q594 PolarHBondContact OG-NE2 2.94Å; S423-Q594 PolarHBondContact OG-OE1 2.93Å; V513-Q594 HydrophobicContact CG1-CB 3.89Å; V513-Q594 HydrophobicContact CG2-CB 4.25Å; C514-Q594 PolarHBondContact O-N 3.33Å; A516-Q594 WeakPolarHBondContact CB-O 3.1Å; A516-Q594 PolarHBondContact N-O 3.03Å; P583-Q594 HydrophobicContact CB-CG 3.98Å; M584-Q594 WeakPolarHBondContact O-CA 3.23Å; Q594-G596 WeakPolarHBondContact CG-O 3.3Å; Q594-G596 PolarHBondContact NE2-O 2.9Å; Q594-I620 HydrophobicContact CG-CD1 4.33Å |
| 595 | Y | 95.4 | Very high | 85.1 | Confident | 17 Ų | 17 | 37.1 Ų | 37.1 | 7% | 0.067 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -23.2 | 178.6 | -81 | -91.3 | 0 | 0 | 0 | 113.4 | A516 S520 V521 P522 M584 C586 V588 I620 | A516-Y595 HydrophobicContact CB-CD1 3.49Å; A516-Y595 VanDerWaalsContact CB-CD1 3.49Å; A516-Y595 HydrophobicContact CB-CD2 3.88Å; A516-Y595 HydrophobicContact CB-CE1 3.52Å; A516-Y595 HydrophobicContact CB-CE2 3.9Å; A516-Y595 HydrophobicContact CB-CG 3.69Å; S520-Y595 WeakPolarHBondContact OG-CE1 3.26Å; V521-Y595 WeakPolarHBondContact O-CE1 3.3Å; P522-Y595 HydrophobicContact CB-CG 4.49Å; P522-Y595 HydrophobicContact CG-CD1 3.82Å; P522-Y595 HydrophobicContact CG-CD2 4.16Å; P522-Y595 HydrophobicContact CG-CE1 4.34Å; P522-Y595 HydrophobicContact CG-CG 3.7Å; M584-Y595 PolarHBondContact O-N 2.83Å; C586-Y595 HydrophobicContact CB-CD2 3.75Å; C586-Y595 HydrophobicContact CB-CE2 3.74Å; V588-Y595 HydrophobicContact CG2-CE2 4.44Å; Y595-I620 PolarHBondContact O-N 2.91Å |
| 596 | G | 94.2 | Very high | 82.4 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.3 | -179.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116 | M584 Q594 S618 | M584-G596 PolarHBondContact N-O 3.34Å; Q594-G596 WeakPolarHBondContact CG-O 3.3Å; Q594-G596 PolarHBondContact NE2-O 2.9Å; G596-S618 CarbonylContact C-O 3.54Å; G596-S618 WeakPolarHBondContact CA-O 3.26Å |
| 597 | V | 95.7 | Very high | 79.9 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 124.5 | 179.5 | 178.1 | 0 | 0 | 0 | 0 | 109.2 | L441 V495 L599 Y617 S618 | L441-V597 HydrophobicContact CB-CG2 4.43Å; V495-V597 HydrophobicContact CG1-CB 3.96Å; V495-V597 HydrophobicContact CG1-CG1 4.33Å; V495-V597 HydrophobicContact CG1-CG2 4.06Å; V597-L599 HydrophobicContact CG1-CD2 4.35Å; V597-L599 PolarHBondContact O-N 2.93Å; V597-Y617 VanDerWaalsContact O-CA 3.3Å; V597-Y617 WeakPolarHBondContact O-CA 3.31Å; V597-S618 PolarHBondContact N-O 3.38Å; V597-S618 VanDerWaalsContact N-O 3.16Å; V597-S618 PolarHBondContact O-N 2.85Å |
| 598 | Y | 95.2 | Very high | 77.8 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 0% | 0.004 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 124.9 | -179.4 | -178.8 | -86.5 | 0 | 0 | 0 | 111.3 | K573 Q579 G581 A582 N600 Q601 Y617 | K573-Y598 PolarHBondContact NZ-OH 2.92Å; Q579-Y598 HydrophobicContact CB-CD1 4.03Å; Q579-Y598 HydrophobicContact CB-CE1 4.02Å; Q579-Y598 HydrophobicContact CB-CG 4.41Å; Q579-Y598 VanDerWaalsContact CD-CD2 3.41Å; Q579-Y598 HydrophobicContact CG-CD1 3.91Å; Q579-Y598 HydrophobicContact CG-CD2 3.91Å; Q579-Y598 HydrophobicContact CG-CE1 4.16Å; Q579-Y598 HydrophobicContact CG-CE2 4.12Å; Q579-Y598 HydrophobicContact CG-CG 3.77Å; Q579-Y598 VanDerWaalsContact NE2-CE2 3.31Å; Q579-Y598 VanDerWaalsContact O-CD1 3.27Å; Q579-Y598 WeakPolarHBondContact O-CD1 3.43Å; Q579-Y598 PolarHBondContact OE1-OH 3.14Å; G581-Y598 PolarHBondContact N-O 2.88Å; A582-Y598 PolarHBondContact O-N 3.1Å; Y598-N600 VanDerWaalsContact CE2-O 3.28Å; Y598-N600 WeakPolarHBondContact CE2-O 3.22Å; Y598-N600 VanDerWaalsContact CZ-C 3.44Å; Y598-N600 VanDerWaalsContact CZ-O 3.29Å; Y598-N600 VanDerWaalsContact OH-C 3.25Å; Y598-N600 PolarHBondContact OH-O 2.82Å; Y598-Q601 WeakPolarHBondContact OH-CB 3.29Å; Y598-Q601 PolarHBondContact OH-N 2.89Å; Y598-Y617 HydrophobicContact CD2-CE1 4.08Å; Y598-Y617 AromaticContact CD2-CE2 3.92Å; Y598-Y617 HydrophobicContact CD2-CE2 3.92Å; Y598-Y617 AromaticContact CD2-CZ 3.6Å; Y598-Y617 HydrophobicContact CG-CE1 4.31Å; Y598-Y617 VanDerWaalsContact N-CD1 3.31Å |
| 599 | L | 91.3 | Very high | 75.5 | Confident | 17 Ų | 17 | 59 Ų | 59 | 9% | 0.089 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | -55.1 | 175.7 | -56.3 | -170.8 | 0 | 0 | 0 | 111.7 | A443 L484 G494 L580 V597 F616 | A443-L599 HydrophobicContact CB-CD2 3.61Å; L484-L599 HydrophobicContact CD1-CD1 3.37Å; G494-L599 WeakPolarHBondContact O-CD2 3.33Å; L580-L599 WeakPolarHBondContact CD1-O 3.29Å; V597-L599 HydrophobicContact CG1-CD2 4.35Å; V597-L599 PolarHBondContact O-N 2.93Å; L599-F616 HydrophobicContact CB-CD1 4.31Å; L599-F616 HydrophobicContact CD1-CE1 4.24Å; L599-F616 PolarHBondContact N-O 2.82Å |
| 600 | N | 86.9 | Confident | 73.5 | Confident | 53 Ų | 53 | 54 Ų | 54 | 28% | 0.283 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 176.4 | -177.4 | 66.5 | -17.7 | 0 | 0 | 0 | 112.9 | Y598 F616 | Y598-N600 VanDerWaalsContact CE2-O 3.28Å; Y598-N600 WeakPolarHBondContact CE2-O 3.22Å; Y598-N600 VanDerWaalsContact CZ-C 3.44Å; Y598-N600 VanDerWaalsContact CZ-O 3.29Å; Y598-N600 VanDerWaalsContact OH-C 3.25Å; Y598-N600 PolarHBondContact OH-O 2.82Å; N600-F616 PolarHBondContact O-N 2.83Å; N600-F616 WeakPolarHBondContact OD1-CB 3.5Å; N600-F616 VanDerWaalsContact OD1-CD1 3.3Å; N600-F616 WeakPolarHBondContact OD1-CD1 3.25Å |
| 601 | Q | 83.2 | Confident | 72.4 | Confident | 45 Ų | 45 | 56.5 Ų | 56.5 | 21% | 0.21 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 124.7 | 170.2 | 176.5 | 167.6 | 76.1 | 0 | 0 | 108.1 | E571 K573 Y598 K613 L614 | E571-Q601 PolarHBondContact O-NE2 3.43Å; E571-Q601 VanDerWaalsContact O-NE2 3.15Å; K573-Q601 HydrophobicContact CD-CB 4.5Å; Y598-Q601 WeakPolarHBondContact OH-CB 3.29Å; Y598-Q601 PolarHBondContact OH-N 2.89Å; Q601-K613 HydrophobicContact CG-CB 4.31Å; Q601-L614 CarbonylContact C-O 3.47Å; Q601-L614 WeakPolarHBondContact CA-O 3.49Å |
| 602 | L | 74.6 | Confident | 71 | Confident | 28 Ų | 28 | 55.6 Ų | 55.6 | 15% | 0.147 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 147 | 169.6 | -58.1 | 172.4 | 0 | 0 | 0 | 108.9 | L554 L614 F616 | L554-L602 HydrophobicContact CD1-CD1 3.57Å; L554-L602 HydrophobicContact CD1-CD2 4.12Å; L554-L602 HydrophobicContact CD2-CD1 4.34Å; L554-L602 HydrophobicContact CG-CD1 3.92Å; L602-L614 HydrophobicContact CB-CB 4.45Å; L602-L614 PolarHBondContact N-O 3Å; L602-L614 PolarHBondContact O-N 2.97Å; L602-F616 HydrophobicContact CD1-CB 3.82Å; L602-F616 HydrophobicContact CD1-CD2 3.88Å; L602-F616 HydrophobicContact CD1-CG 4.05Å; L602-F616 HydrophobicContact CG-CB 3.85Å; L602-F616 HydrophobicContact CG-CG 4.42Å |
| 603 | S | 65.4 | Low | 69.8 | Low | 72 Ų | 72 | 59.9 Ų | 59.9 | 50% | 0.503 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 104.5 | 168.5 | -61.7 | 0 | 0 | 0 | 0 | 107.2 | ||
| 604 | L | 57.6 | Low | 68.7 | Low | 84 Ų | 84 | 58.3 Ų | 58.3 | 44% | 0.44 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 110 | 179.5 | -137.3 | 156.9 | 0 | 0 | 0 | 107.2 | I606 Q612 L614 | L604-I606 HydrophobicContact CD2-CG1 4.36Å; L604-I606 PolarHBondContact O-N 3.48Å; L604-Q612 PolarHBondContact N-O 3.22Å; L604-Q612 PolarHBondContact O-N 2.73Å; L604-L614 HydrophobicContact CB-CD1 4.35Å; L604-L614 HydrophobicContact CD1-CD1 3.64Å |
| 605 | K | 52 | Low | 68.1 | Low | 140 Ų | 140 | 58.3 Ų | 58.3 | 61% | 0.609 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 106.8 | 172.4 | -80.5 | -177.1 | 175.3 | -173.2 | 0 | 108 | N611 | K605-N611 VanDerWaalsContact CG-OD1 3.32Å; K605-N611 WeakPolarHBondContact CG-OD1 3.23Å |
| 606 | I | 40.9 | Very low | 67.9 | Low | 48 Ų | 48 | 57.6 Ų | 57.6 | 25% | 0.246 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 116.8 | 170.7 | -59.2 | 175.3 | 0 | 0 | 0 | 106.5 | L604 N608 R609 V610 Q612 | L604-I606 HydrophobicContact CD2-CG1 4.36Å; L604-I606 PolarHBondContact O-N 3.48Å; I606-N608 PolarHBondContact O-N 2.73Å; I606-N608 VanDerWaalsContact O-N 3.12Å; I606-R609 PolarHBondContact O-N 2.83Å; I606-V610 HydrophobicContact CB-CB 4.41Å; I606-V610 PolarHBondContact N-O 2.86Å; I606-V610 PolarHBondContact O-N 2.89Å; I606-Q612 HydrophobicContact CD1-CB 3.92Å |
| 607 | N | 38.1 | Very low | 67.8 | Low | 69 Ų | 69 | 57.6 Ų | 57.6 | 37% | 0.369 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 32.7 | 171.5 | -45.2 | -16.7 | 0 | 0 | 0 | 114.3 | R609 N1097 | N607-R609 WeakPolarHBondContact O-CG 3.05Å; N607-R609 PolarHBondContact O-N 2.8Å; N607-N1097 WeakPolarHBondContact CB-OD1 3.03Å; N607-N1097 VanDerWaalsContact ND2-CG 3.31Å; N607-N1097 PolarHBondContact ND2-ND2 3.11Å; N607-N1097 PolarHBondContact ND2-OD1 3.33Å; N607-N1097 PolarHBondContact OD1-OD1 3.45Å |
| 608 | N | 44.2 | Very low | 67.5 | Low | 141 Ų | 141 | 57.7 Ų | 57.7 | 75% | 0.754 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 3 | -173.4 | -84.6 | -27.9 | 0 | 0 | 0 | 116.9 | I606 | I606-N608 PolarHBondContact O-N 2.73Å; I606-N608 VanDerWaalsContact O-N 3.12Å |
| 609 | R | 36.1 | Very low | 67.3 | Low | 229 Ų | 229 | 57.8 Ų | 57.8 | 86% | 0.864 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.2 | -26.9 | -174.8 | -67.7 | 176.7 | -174.1 | -176.6 | 3.8 | 113.4 | I606 N607 | I606-R609 PolarHBondContact O-N 2.83Å; N607-R609 WeakPolarHBondContact O-CG 3.05Å; N607-R609 PolarHBondContact O-N 2.8Å |
| 610 | V | 37.9 | Very low | 67.4 | Low | 52 Ų | 52 | 57.1 Ų | 57.1 | 32% | 0.315 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 129.9 | -177.7 | -178 | 0 | 0 | 0 | 0 | 110.5 | L259 I606 | L259-V610 HydrophobicContact CD2-CG1 4.05Å; I606-V610 HydrophobicContact CB-CB 4.41Å; I606-V610 PolarHBondContact N-O 2.86Å; I606-V610 PolarHBondContact O-N 2.89Å |
| 611 | N | 54 | Low | 67.5 | Low | 98 Ų | 98 | 55 Ų | 55 | 52% | 0.524 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 92.4 | 173.5 | -72.8 | -70.9 | 0 | 0 | 0 | 109.6 | K605 | K605-N611 VanDerWaalsContact CG-OD1 3.32Å; K605-N611 WeakPolarHBondContact CG-OD1 3.23Å |
| 612 | Q | 60.6 | Low | 67.6 | Low | 34 Ų | 34 | 53.7 Ų | 53.7 | 16% | 0.159 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 129.3 | 172.3 | -171.3 | 173.4 | 9.1 | 0 | 0 | 109.4 | L604 I606 L614 | L604-Q612 PolarHBondContact N-O 3.22Å; L604-Q612 PolarHBondContact O-N 2.73Å; I606-Q612 HydrophobicContact CD1-CB 3.92Å; Q612-L614 HydrophobicContact CG-CD2 4.01Å |
| 613 | K | 68.6 | Low | 68.4 | Low | 91 Ų | 91 | 52.4 Ų | 52.4 | 40% | 0.396 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 124.8 | 176.6 | -71.6 | -175.8 | 166.5 | -146.8 | 0 | 110.1 | E571 Q601 | E571-K613 PolarHBondContact N-O 3.03Å; E571-K613 VanDerWaalsContact N-O 3.11Å; E571-K613 WeakPolarHBondContact O-CB 3.38Å; Q601-K613 HydrophobicContact CG-CB 4.31Å |
| 614 | L | 74.7 | Confident | 69.6 | Low | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 132.7 | 178.8 | -56.4 | 179 | 0 | 0 | 0 | 109.4 | T548 C568 A569 V570 Q601 L602 L604 Q612 | T548-L614 HydrophobicContact CG2-CD2 4.12Å; C568-L614 HydrophobicContact CB-CB 4.36Å; C568-L614 HydrophobicContact CB-CD1 4.12Å; A569-L614 CarbonylContact O-C 3.49Å; A569-L614 VanDerWaalsContact O-CA 3.26Å; A569-L614 WeakPolarHBondContact O-CA 3.47Å; V570-L614 HydrophobicContact CB-CD2 4.44Å; V570-L614 HydrophobicContact CG2-CD2 3.98Å; Q601-L614 CarbonylContact C-O 3.47Å; Q601-L614 WeakPolarHBondContact CA-O 3.49Å; L602-L614 HydrophobicContact CB-CB 4.45Å; L602-L614 PolarHBondContact N-O 3Å; L602-L614 PolarHBondContact O-N 2.97Å; L604-L614 HydrophobicContact CB-CD1 4.35Å; L604-L614 HydrophobicContact CD1-CD1 3.64Å; Q612-L614 HydrophobicContact CG-CD2 4.01Å |
| 615 | G | 84.7 | Confident | 71 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 132.1 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | C568 A569 E571 | C568-G615 WeakPolarHBondContact CA-O 3.18Å; A569-G615 PolarHBondContact N-O 2.94Å; A569-G615 VanDerWaalsContact N-O 3.13Å; A569-G615 PolarHBondContact O-N 2.85Å; E571-G615 VanDerWaalsContact OE2-CA 3.29Å; E571-G615 WeakPolarHBondContact OE2-CA 3.25Å |
| 616 | F | 89.3 | Confident | 72.6 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.009 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 126.8 | -179.9 | 174.7 | -89.7 | 0 | 0 | 0 | 111.2 | F564 L599 N600 L602 | F564-F616 HydrophobicContact CD1-CE2 4.44Å; F564-F616 HydrophobicContact CD1-CZ 4.38Å; F564-F616 HydrophobicContact CE1-CD2 4.27Å; F564-F616 HydrophobicContact CE1-CE1 4.04Å; F564-F616 AromaticContact CE1-CE2 3.31Å; F564-F616 HydrophobicContact CE1-CE2 3.31Å; F564-F616 AromaticContact CE1-CZ 3.2Å; F564-F616 HydrophobicContact CE1-CZ 3.2Å; F564-F616 HydrophobicContact CE2-CE1 4.35Å; F564-F616 HydrophobicContact CE2-CZ 4.06Å; F564-F616 HydrophobicContact CZ-CD1 4.34Å; F564-F616 AromaticContact CZ-CE1 3.43Å; F564-F616 HydrophobicContact CZ-CE1 3.43Å; F564-F616 VanDerWaalsContact CZ-CE1 3.43Å; F564-F616 AromaticContact CZ-CE2 3.64Å; F564-F616 HydrophobicContact CZ-CE2 3.64Å; F564-F616 AromaticContact CZ-CZ 3.01Å; F564-F616 HydrophobicContact CZ-CZ 3.01Å; L599-F616 HydrophobicContact CB-CD1 4.31Å; L599-F616 HydrophobicContact CD1-CE1 4.24Å; L599-F616 PolarHBondContact N-O 2.82Å; N600-F616 PolarHBondContact O-N 2.83Å; N600-F616 WeakPolarHBondContact OD1-CB 3.5Å; N600-F616 VanDerWaalsContact OD1-CD1 3.3Å; N600-F616 WeakPolarHBondContact OD1-CD1 3.25Å; L602-F616 HydrophobicContact CD1-CB 3.82Å; L602-F616 HydrophobicContact CD1-CD2 3.88Å; L602-F616 HydrophobicContact CD1-CG 4.05Å; L602-F616 HydrophobicContact CG-CB 3.85Å; L602-F616 HydrophobicContact CG-CG 4.42Å |
| 617 | Y | 92.3 | Very high | 74.9 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 130.4 | -173.9 | -64.4 | -102.3 | 0 | 0 | 0 | 110.6 | V530 G566 I567 E571 Q579 M584 V597 Y598 E619 | V530-Y617 WeakPolarHBondContact CB-OH 3.09Å; V530-Y617 HydrophobicContact CG1-CE1 4.3Å; V530-Y617 WeakPolarHBondContact CG1-OH 3.43Å; G566-Y617 CarbonylContact C-O 3.54Å; G566-Y617 WeakPolarHBondContact CA-O 3.2Å; I567-Y617 PolarHBondContact N-O 2.83Å; I567-Y617 PolarHBondContact O-N 2.76Å; E571-Y617 WeakPolarHBondContact OE1-CE2 3.25Å; E571-Y617 VanDerWaalsContact OE1-CZ 3.23Å; E571-Y617 PolarHBondContact OE1-OH 3.4Å; Q579-Y617 PolarHBondContact NE2-OH 2.94Å; Q579-Y617 VanDerWaalsContact NE2-OH 3.09Å; M584-Y617 HydrophobicContact CB-CD1 3.58Å; M584-Y617 HydrophobicContact CB-CE1 3.61Å; M584-Y617 HydrophobicContact CB-CG 4.25Å; M584-Y617 HydrophobicContact CE-CD1 4.19Å; M584-Y617 HydrophobicContact CE-CD2 3.44Å; M584-Y617 VanDerWaalsContact CE-CD2 3.44Å; M584-Y617 HydrophobicContact CE-CE1 4.24Å; M584-Y617 HydrophobicContact CE-CE2 3.5Å; M584-Y617 HydrophobicContact CE-CG 3.83Å; V597-Y617 VanDerWaalsContact O-CA 3.3Å; V597-Y617 WeakPolarHBondContact O-CA 3.31Å; Y598-Y617 HydrophobicContact CD2-CE1 4.08Å; Y598-Y617 AromaticContact CD2-CE2 3.92Å; Y598-Y617 HydrophobicContact CD2-CE2 3.92Å; Y598-Y617 AromaticContact CD2-CZ 3.6Å; Y598-Y617 HydrophobicContact CG-CE1 4.31Å; Y598-Y617 VanDerWaalsContact N-CD1 3.31Å; Y617-E619 PolarHBondContact O-N 2.96Å |
| 618 | S | 91 | Very high | 77.3 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.014 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 131.4 | 164.2 | -175.4 | 0 | 0 | 0 | 0 | 109 | G596 V597 | G596-S618 CarbonylContact C-O 3.54Å; G596-S618 WeakPolarHBondContact CA-O 3.26Å; V597-S618 PolarHBondContact N-O 3.38Å; V597-S618 VanDerWaalsContact N-O 3.16Å; V597-S618 PolarHBondContact O-N 2.85Å |
| 619 | E | 90.9 | Very high | 79.2 | Confident | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.019 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 146.5 | 168.9 | -83.2 | -173.5 | -153.3 | 0 | 0 | 110.7 | R552 R565 I567 Y617 T621 I622 | R552-E619 IonicContact CZ-OE1 2.77Å; R552-E619 IonicContact NE-OE1 2.63Å; R552-E619 PolarHBondContact NE-OE1 3.28Å; R552-E619 IonicContact NH2-OE1 2.72Å; R552-E619 PolarHBondContact NH2-OE1 2.85Å; R552-E619 VanDerWaalsContact NH2-OE1 3.13Å; R552-E619 IonicContact NH2-OE2 2.88Å; R552-E619 PolarHBondContact NH2-OE2 2.85Å; R565-E619 HydrophobicContact CB-CG 4.35Å; R565-E619 PolarHBondContact O-N 2.85Å; I567-E619 HydrophobicContact CD1-CG 4.15Å; I567-E619 HydrophobicContact CG1-CG 4.05Å; Y617-E619 PolarHBondContact O-N 2.96Å; E619-T621 PolarHBondContact O-N 3.02Å; E619-T621 PolarHBondContact OE2-OG1 3.21Å; E619-I622 WeakPolarHBondContact O-CG2 3.42Å |
| 620 | I | 92.4 | Very high | 81.3 | Confident | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.015 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -13.2 | 175.8 | -151.7 | 64.4 | 0 | 0 | 0 | 113.3 | L441 L515 A516 Q594 Y595 I622 V623 H624 | L441-I620 HydrophobicContact CD1-CD1 3.7Å; L515-I620 HydrophobicContact CB-CG1 4.24Å; L515-I620 HydrophobicContact CD2-CD1 3.97Å; L515-I620 HydrophobicContact CD2-CG1 3.91Å; L515-I620 HydrophobicContact CG-CG1 4.46Å; A516-I620 HydrophobicContact CB-CG2 4.13Å; Q594-I620 HydrophobicContact CG-CD1 4.33Å; Y595-I620 PolarHBondContact O-N 2.91Å; I620-I622 PolarHBondContact O-N 3.13Å; I620-I622 VanDerWaalsContact O-N 3.16Å; I620-V623 HydrophobicContact CD1-CB 4.17Å; I620-V623 HydrophobicContact CD1-CG2 3.87Å; I620-V623 HydrophobicContact CG1-CB 4.34Å; I620-V623 WeakPolarHBondContact O-CB 3.34Å; I620-V623 PolarHBondContact O-N 2.94Å; I620-H624 PolarHBondContact O-N 3.15Å |
| 621 | T | 88.7 | Confident | 83.2 | Confident | 9 Ų | 9 | 40.2 Ų | 40.2 | 6% | 0.055 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -45.3 | -43.7 | 174.8 | -56.2 | 0 | 0 | 0 | 0 | 112.7 | R518 E519 E619 V623 H624 E625 | R518-T621 HydrophobicContact CG-CG2 4.12Å; E519-T621 WeakPolarHBondContact CA-OG1 3.26Å; E519-T621 HydrophobicContact CG-CG2 3.77Å; E519-T621 PolarHBondContact N-OG1 3.18Å; E519-T621 VanDerWaalsContact N-OG1 3.13Å; E619-T621 PolarHBondContact O-N 3.02Å; E619-T621 PolarHBondContact OE2-OG1 3.21Å; T621-V623 VanDerWaalsContact C-N 3.28Å; T621-V623 PolarHBondContact O-N 2.88Å; T621-H624 PolarHBondContact O-N 3.05Å; T621-E625 WeakPolarHBondContact O-CG 3.12Å; T621-E625 PolarHBondContact O-N 3.14Å; T621-E625 VanDerWaalsContact O-N 3.14Å |
| 622 | I | 85.8 | Confident | 84.3 | Confident | 16 Ų | 16 | 36.4 Ų | 36.4 | 8% | 0.082 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61 | -33.5 | 178.1 | -168 | 169.6 | 0 | 0 | 0 | 113.1 | L484 V495 E619 I620 E625 V626 V632 | L484-I622 HydrophobicContact CD2-CD1 3.86Å; V495-I622 HydrophobicContact CG1-CG2 4.28Å; V495-I622 HydrophobicContact CG2-CD1 4.39Å; V495-I622 HydrophobicContact CG2-CG2 3.77Å; E619-I622 WeakPolarHBondContact O-CG2 3.42Å; I620-I622 PolarHBondContact O-N 3.13Å; I620-I622 VanDerWaalsContact O-N 3.16Å; I622-E625 PolarHBondContact O-N 2.81Å; I622-V626 WeakPolarHBondContact O-CG2 3.37Å; I622-V626 PolarHBondContact O-N 2.94Å; I622-V632 HydrophobicContact CD1-CG1 3.73Å; I622-V632 HydrophobicContact CG1-CG1 3.63Å |
| 623 | V | 90.7 | Very high | 85.1 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -74.2 | -38.1 | -179.2 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | L441 V495 I497 L515 I620 T621 E625 V626 F627 | L441-V623 HydrophobicContact CD1-CG1 4.09Å; L441-V623 HydrophobicContact CD1-CG2 4.02Å; L441-V623 HydrophobicContact CD2-CG1 3.89Å; L441-V623 HydrophobicContact CD2-CG2 4.13Å; V495-V623 HydrophobicContact CG2-CG2 4.27Å; I497-V623 HydrophobicContact CD1-CG1 4.18Å; L515-V623 HydrophobicContact CD1-CG1 4.04Å; I620-V623 HydrophobicContact CD1-CB 4.17Å; I620-V623 HydrophobicContact CD1-CG2 3.87Å; I620-V623 HydrophobicContact CG1-CB 4.34Å; I620-V623 WeakPolarHBondContact O-CB 3.34Å; I620-V623 PolarHBondContact O-N 2.94Å; T621-V623 VanDerWaalsContact C-N 3.28Å; T621-V623 PolarHBondContact O-N 2.88Å; V623-E625 VanDerWaalsContact C-N 3.3Å; V623-E625 PolarHBondContact O-N 2.81Å; V623-V626 PolarHBondContact O-N 3.11Å; V623-F627 HydrophobicContact CG1-CD2 3.98Å; V623-F627 HydrophobicContact CG1-CE1 4.2Å; V623-F627 HydrophobicContact CG1-CE2 3.63Å; V623-F627 HydrophobicContact CG1-CG 4.42Å; V623-F627 HydrophobicContact CG1-CZ 3.73Å; V623-F627 WeakPolarHBondContact O-CB 3.08Å; V623-F627 VanDerWaalsContact O-CG 3.3Å; V623-F627 WeakPolarHBondContact O-CG 3.35Å; V623-F627 PolarHBondContact O-N 2.76Å |
| 624 | H | 91.2 | Very high | 85.3 | Confident | 50 Ų | 50 | 37.5 Ų | 37.5 | 23% | 0.231 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61 | -40.4 | 171.4 | -74.4 | -64.3 | 0 | 0 | 0 | 111.8 | A516 R518 I620 T621 F627 A628 | A516-H624 PolarHBondContact O-NE2 3.2Å; R518-H624 HydrophobicContact CB-CB 4.39Å; R518-H624 HydrophobicContact CG-CB 4.25Å; I620-H624 PolarHBondContact O-N 3.15Å; T621-H624 PolarHBondContact O-N 3.05Å; H624-F627 PolarHBondContact O-N 3.32Å; H624-A628 VanDerWaalsContact O-CB 3.3Å; H624-A628 WeakPolarHBondContact O-CB 3.42Å; H624-A628 PolarHBondContact O-N 2.88Å |
| 625 | E | 86.7 | Confident | 84.9 | Confident | 48 Ų | 48 | 39.4 Ų | 39.4 | 22% | 0.224 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.8 | -42.5 | 178.8 | -67.6 | -178.3 | 159.1 | 0 | 0 | 112.2 | R518 T621 I622 V623 A628 G629 K630 V632 | R518-E625 IonicContact CZ-OE1 2.65Å; R518-E625 IonicContact NE-OE1 3.25Å; R518-E625 IonicContact NH2-OE1 3.68Å; R518-E625 PolarHBondContact NH2-OE1 2.93Å; T621-E625 WeakPolarHBondContact O-CG 3.12Å; T621-E625 PolarHBondContact O-N 3.14Å; T621-E625 VanDerWaalsContact O-N 3.14Å; I622-E625 PolarHBondContact O-N 2.81Å; V623-E625 VanDerWaalsContact C-N 3.3Å; V623-E625 PolarHBondContact O-N 2.81Å; E625-A628 PolarHBondContact O-N 2.84Å; E625-G629 PolarHBondContact O-N 2.84Å; E625-K630 HydrophobicContact CB-CB 4.23Å; E625-K630 HydrophobicContact CB-CD 4.23Å; E625-K630 HydrophobicContact CG-CD 4.11Å; E625-K630 WeakPolarHBondContact O-CB 3.31Å; E625-K630 PolarHBondContact O-N 2.73Å; E625-V632 HydrophobicContact CB-CG2 3.88Å |
| 626 | V | 86.1 | Confident | 83.7 | Confident | 21 Ų | 21 | 44.3 Ų | 44.3 | 13% | 0.127 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 170.5 | 170.4 | 0 | 0 | 0 | 0 | 111.6 | Y482 I497 I622 V623 A628 G629 V632 | Y482-V626 HydrophobicContact CD1-CG2 3.77Å; Y482-V626 HydrophobicContact CD2-CG2 4.01Å; Y482-V626 HydrophobicContact CE1-CG1 4.28Å; Y482-V626 HydrophobicContact CE1-CG2 3.48Å; Y482-V626 VanDerWaalsContact CE1-CG2 3.48Å; Y482-V626 HydrophobicContact CE2-CB 4.4Å; Y482-V626 HydrophobicContact CE2-CG1 3.78Å; Y482-V626 HydrophobicContact CE2-CG2 3.74Å; Y482-V626 HydrophobicContact CG-CG2 4.02Å; Y482-V626 VanDerWaalsContact CZ-CG2 3.47Å; Y482-V626 WeakPolarHBondContact OH-CG1 3.43Å; I497-V626 HydrophobicContact CD1-CB 4.2Å; I497-V626 HydrophobicContact CD1-CG1 3.64Å; I622-V626 WeakPolarHBondContact O-CG2 3.37Å; I622-V626 PolarHBondContact O-N 2.94Å; V623-V626 PolarHBondContact O-N 3.11Å; V626-A628 VanDerWaalsContact C-N 3.28Å; V626-A628 PolarHBondContact O-N 3.03Å; V626-G629 PolarHBondContact O-N 2.88Å; V626-V632 HydrophobicContact CG2-CB 4.01Å; V626-V632 HydrophobicContact CG2-CG1 4.3Å; V626-V632 HydrophobicContact CG2-CG2 3.84Å |
| 627 | F | 89.7 | Confident | 81.8 | Confident | 34 Ų | 34 | 50.1 Ų | 50.1 | 15% | 0.149 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70.7 | -23.3 | -179.2 | -75.5 | -5.7 | 0 | 0 | 0 | 114.1 | K427 I439 I497 L515 V623 H624 G629 | K427-F627 HydrophobicContact CB-CD2 4.02Å; K427-F627 HydrophobicContact CB-CE2 3.87Å; K427-F627 HydrophobicContact CD-CB 4.18Å; K427-F627 HydrophobicContact CD-CD1 4.24Å; K427-F627 HydrophobicContact CD-CD2 4.01Å; K427-F627 HydrophobicContact CD-CE2 4.46Å; K427-F627 HydrophobicContact CD-CG 3.89Å; K427-F627 HydrophobicContact CG-CB 4.42Å; K427-F627 HydrophobicContact CG-CD2 3.67Å; K427-F627 HydrophobicContact CG-CE2 4.05Å; K427-F627 HydrophobicContact CG-CG 4.07Å; K427-F627 PolarHBondContact NZ-O 2.95Å; I439-F627 HydrophobicContact CD1-CZ 4.39Å; I439-F627 HydrophobicContact CG2-CE1 4.48Å; I439-F627 HydrophobicContact CG2-CZ 3.96Å; I497-F627 HydrophobicContact CD1-CD1 4.26Å; I497-F627 HydrophobicContact CD1-CE1 3.63Å; I497-F627 HydrophobicContact CD1-CZ 4.26Å; I497-F627 HydrophobicContact CG2-CE1 4.28Å; L515-F627 HydrophobicContact CD1-CD2 4.13Å; L515-F627 HydrophobicContact CD1-CE2 3.82Å; V623-F627 HydrophobicContact CG1-CD2 3.98Å; V623-F627 HydrophobicContact CG1-CE1 4.2Å; V623-F627 HydrophobicContact CG1-CE2 3.63Å; V623-F627 HydrophobicContact CG1-CG 4.42Å; V623-F627 HydrophobicContact CG1-CZ 3.73Å; V623-F627 WeakPolarHBondContact O-CB 3.08Å; V623-F627 VanDerWaalsContact O-CG 3.3Å; V623-F627 WeakPolarHBondContact O-CG 3.35Å; V623-F627 PolarHBondContact O-N 2.76Å; H624-F627 PolarHBondContact O-N 3.32Å; F627-G629 VanDerWaalsContact C-N 3.34Å |
| 628 | A | 88.1 | Confident | 79.7 | Confident | 77 Ų | 77 | 59.3 Ų | 59.3 | 64% | 0.636 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | 2.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | H624 E625 V626 K630 | H624-A628 VanDerWaalsContact O-CB 3.3Å; H624-A628 WeakPolarHBondContact O-CB 3.42Å; H624-A628 PolarHBondContact O-N 2.88Å; E625-A628 PolarHBondContact O-N 2.84Å; V626-A628 VanDerWaalsContact C-N 3.28Å; V626-A628 PolarHBondContact O-N 3.03Å; A628-K630 PolarHBondContact O-N 3.15Å |
| 629 | G | 83.3 | Confident | 77.1 | Confident | 64 Ų | 64 | 62 Ų | 62 | 66% | 0.66 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.8 | 17.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | E625 V626 F627 | E625-G629 PolarHBondContact O-N 2.84Å; V626-G629 PolarHBondContact O-N 2.88Å; F627-G629 VanDerWaalsContact C-N 3.34Å |
| 630 | K | 81.5 | Confident | 74.3 | Confident | 111 Ų | 111 | 69.8 Ų | 69.8 | 48% | 0.483 | 38% | 0.384 | S | S | . | . | trans | -71.7 | 149.7 | 176.1 | -65.4 | -167.5 | 176.7 | -173 | 0 | 111.7 | E625 A628 V632 | E625-K630 HydrophobicContact CB-CB 4.23Å; E625-K630 HydrophobicContact CB-CD 4.23Å; E625-K630 HydrophobicContact CG-CD 4.11Å; E625-K630 WeakPolarHBondContact O-CB 3.31Å; E625-K630 PolarHBondContact O-N 2.73Å; A628-K630 PolarHBondContact O-N 3.15Å; K630-V632 PolarHBondContact O-N 3.5Å | ||
| 631 | N | 75.9 | Confident | 71.4 | Confident | 175 Ų | 175 | 76.5 Ų | 76.5 | 94% | 0.936 | 42% | 0.419 | S | S | * | . | trans | -69.4 | 88 | 173.4 | -74.8 | -29.5 | 0 | 0 | 0 | 111.4 | ||||
| 632 | V | 77.7 | Confident | 68.7 | Low | 17 Ų | 17 | 84.3 Ų | 84.3 | 10% | 0.103 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -92.2 | 134.7 | 171.9 | 178.3 | 0 | 0 | 0 | 0 | 109.2 | Y482 I622 E625 V626 K630 T634 | Y482-V632 HydrophobicContact CD1-CB 3.95Å; Y482-V632 HydrophobicContact CD1-CG1 3.71Å; Y482-V632 HydrophobicContact CE1-CB 4.28Å; Y482-V632 HydrophobicContact CG-CG1 4.3Å; I622-V632 HydrophobicContact CD1-CG1 3.73Å; I622-V632 HydrophobicContact CG1-CG1 3.63Å; E625-V632 HydrophobicContact CB-CG2 3.88Å; V626-V632 HydrophobicContact CG2-CB 4.01Å; V626-V632 HydrophobicContact CG2-CG1 4.3Å; V626-V632 HydrophobicContact CG2-CG2 3.84Å; K630-V632 PolarHBondContact O-N 3.5Å; V632-T634 PolarHBondContact O-N 3.3Å; V632-T634 VanDerWaalsContact O-N 3.14Å |
| 633 | P | 76.9 | Confident | 66 | Low | 55 Ų | 55 | 89.9 Ų | 89.9 | 36% | 0.357 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 119.8 | -178.1 | -26.4 | 34.4 | 0 | 0 | 0 | 112.8 | G483 I491 | G483-P633 PolarHBondContact N-O 2.72Å; I491-P633 HydrophobicContact CD1-CB 3.94Å |
| 634 | T | 72.9 | Confident | 63.2 | Low | 93 Ų | 93 | 92.7 Ų | 92.7 | 57% | 0.571 | 52% | 0.521 | S | S | * | . | B | Isolated β-bridge | trans | -90.7 | 152 | 175.4 | 52.7 | 0 | 0 | 0 | 0 | 110.8 | L481 Y482 V632 | L481-T634 WeakPolarHBondContact O-CA 3.45Å; Y482-T634 HydrophobicContact CD1-CG2 4.13Å; Y482-T634 HydrophobicContact CE1-CG2 3.92Å; V632-T634 PolarHBondContact O-N 3.3Å; V632-T634 VanDerWaalsContact O-N 3.14Å |
| 635 | L | 66.4 | Low | 60.4 | Low | 45 Ų | 45 | 96.4 Ų | 96.4 | 24% | 0.236 | 55% | 0.55 | C | S | . | . | P | Polyproline II helix | trans | -87.7 | 128.1 | 174.3 | -69.5 | 156.8 | 0 | 0 | 0 | 109.2 | A444 L481 Y482 I491 A493 | A444-L635 HydrophobicContact CB-CD1 3.77Å; L481-L635 HydrophobicContact CB-CB 4.24Å; L481-L635 HydrophobicContact CB-CD1 4.3Å; L481-L635 PolarHBondContact O-N 2.89Å; Y482-L635 WeakPolarHBondContact O-CD1 3.31Å; I491-L635 HydrophobicContact CG2-CD2 3.89Å; A493-L635 HydrophobicContact CB-CD1 4.46Å |
| 636 | P | 59.7 | Low | 57.5 | Low | 104 Ų | 104 | 105.6 Ų | 105.6 | 68% | 0.675 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 137.9 | 179.6 | 25 | -33.5 | 0 | 0 | 0 | 111.1 | R638 | P636-R638 PolarHBondContact O-N 2.62Å; P636-R638 VanDerWaalsContact O-N 3.08Å |
| 637 | D | 50.3 | Low | 55 | Low | 124 Ų | 124 | 110.6 Ų | 110.6 | 66% | 0.663 | 62% | 0.615 | S | S | * | * | trans | -67.5 | 108.9 | 178 | -172.1 | 31.1 | 0 | 0 | 0 | 109.9 | T639 | D637-T639 VanDerWaalsContact CG-OG1 3.28Å; D637-T639 PolarHBondContact O-N 2.9Å; D637-T639 WeakPolarHBondContact OD1-CG2 3.06Å; D637-T639 WeakPolarHBondContact OD2-CG2 3.28Å; D637-T639 PolarHBondContact OD2-OG1 3.3Å | ||
| 638 | R | 48.3 | Very low | 52.4 | Low | 193 Ų | 193 | 117.8 Ų | 117.8 | 73% | 0.728 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | 44.8 | -174.7 | -73.6 | -178.4 | 164.5 | -178.9 | -6.3 | 112.6 | P636 | P636-R638 PolarHBondContact O-N 2.62Å; P636-R638 VanDerWaalsContact O-N 3.08Å |
| 639 | T | 36.6 | Very low | 49.5 | Very low | 59 Ų | 59 | 123.6 Ų | 123.6 | 36% | 0.362 | 66% | 0.66 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93 | -13.1 | -175.2 | 41.3 | 0 | 0 | 0 | 0 | 114.6 | D637 | D637-T639 VanDerWaalsContact CG-OG1 3.28Å; D637-T639 PolarHBondContact O-N 2.9Å; D637-T639 WeakPolarHBondContact OD1-CG2 3.06Å; D637-T639 WeakPolarHBondContact OD2-CG2 3.28Å; D637-T639 PolarHBondContact OD2-OG1 3.3Å |
| 640 | H | 31 | Very low | 47.3 | Very low | 166 Ų | 166 | 126.7 Ų | 126.7 | 77% | 0.769 | 67% | 0.668 | S | S | * | * | trans | -135 | 93.9 | 177 | -66.4 | -92.1 | 0 | 0 | 0 | 112.1 | ||||
| 641 | I | 32 | Very low | 45 | Very low | 145 Ų | 145 | 127.7 Ų | 127.7 | 74% | 0.744 | 68% | 0.683 | S | S | * | * | trans | -140.5 | 112.6 | 163 | -60 | -178 | 0 | 0 | 0 | 107.8 | ||||
| 642 | H | 31.8 | Very low | 43 | Very low | 173 Ų | 173 | 128 Ų | 128 | 80% | 0.801 | 68% | 0.679 | S | S | * | * | trans | -68 | 152.1 | 169.4 | -80.8 | -100.5 | 0 | 0 | 0 | 110.8 | G644 | H642-G644 PolarHBondContact O-N 3.41Š| ||
| 643 | P | 30.5 | Very low | 41 | Very low | 132 Ų | 132 | 131.6 Ų | 131.6 | 86% | 0.857 | 71% | 0.71 | S | S | * | * | trans | -74.5 | 85.9 | 176 | 31.4 | -33.7 | 0 | 0 | 0 | 111 | ||||
| 644 | G | 30.5 | Very low | 39 | Very low | 61 Ų | 61 | 134.6 Ų | 134.6 | 63% | 0.629 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 162.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | H642 | H642-G644 PolarHBondContact O-N 3.41Š|
| 645 | P | 32.6 | Very low | 37.3 | Very low | 128 Ų | 128 | 135.2 Ų | 135.2 | 83% | 0.831 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 163.7 | -168.8 | -17.4 | 32.1 | 0 | 0 | 0 | 114.3 | P647 | P645-P647 WeakPolarHBondContact O-CD 3.28Š|
| 646 | R | 25.9 | Very low | 36 | Very low | 240 Ų | 240 | 138.6 Ų | 138.6 | 91% | 0.906 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 125.9 | 171.9 | -62.2 | -178.8 | -169.8 | 176.4 | 5 | 109.6 | ||
| 647 | P | 34.3 | Very low | 34.9 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 147 | 169.3 | -14.5 | 31 | 0 | 0 | 0 | 111.8 | P645 | P645-P647 WeakPolarHBondContact O-CD 3.28Š|
| 648 | E | 33.9 | Very low | 34.3 | Very low | 185 Ų | 185 | 138 Ų | 138 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 171.7 | -178.5 | -66.7 | 160.4 | 129.5 | 0 | 0 | 112.8 | ||
| 649 | K | 27.6 | Very low | 33.8 | Very low | 200 Ų | 200 | 138.2 Ų | 138.2 | 87% | 0.87 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 133.6 | 174.3 | -82.2 | -177.7 | 172.4 | -177.7 | 0 | 110.9 | ||
| 650 | P | 36.5 | Very low | 33.8 | Very low | 128 Ų | 128 | 140 Ų | 140 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 158.6 | 163.3 | -17.7 | 32.9 | 0 | 0 | 0 | 113.2 | ||
| 651 | V | 34.9 | Very low | 34.1 | Very low | 132 Ų | 132 | 136.9 Ų | 136.9 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 164.6 | -168.3 | 165.2 | 0 | 0 | 0 | 0 | 112.5 | ||
| 652 | H | 32.6 | Very low | 34.4 | Very low | 182 Ų | 182 | 134.8 Ų | 134.8 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | -39.4 | 154.9 | -179 | -65.5 | -86.8 | 0 | 0 | 0 | 119.9 | ||||
| 653 | A | 36.1 | Very low | 34.7 | Very low | 92 Ų | 92 | 134.1 Ų | 134.1 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | -148.3 | 127.6 | 129.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 654 | S | 35 | Very low | 35 | Very low | 119 Ų | 119 | 134.6 Ų | 134.6 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | 31.6 | 132.6 | 152.1 | -46 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 655 | S | 37.7 | Very low | 35.2 | Very low | 106 Ų | 106 | 140.3 Ų | 140.3 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | cis | -164.5 | 152.4 | 39.4 | 41.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 656 | S | 37.7 | Very low | 35.4 | Very low | 116 Ų | 116 | 144.6 Ų | 144.6 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | 46.7 | 131.2 | 161 | 53.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 657 | S | 38.2 | Very low | 35.9 | Very low | 120 Ų | 120 | 142.9 Ų | 142.9 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | cis | -152.3 | 165.8 | 18 | 49.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 658 | S | 37.5 | Very low | 36.4 | Very low | 95 Ų | 95 | 142 Ų | 142 | 66% | 0.664 | 78% | 0.783 | S | S | * | * | trans | -55.8 | 142.1 | -172.3 | 48.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 659 | F | 36.5 | Very low | 36.8 | Very low | 197 Ų | 197 | 138.1 Ų | 138.1 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | -179.3 | 115.9 | 101.9 | -111.4 | -87.1 | 0 | 0 | 0 | 116.1 | |||||
| 660 | S | 38.2 | Very low | 37.5 | Very low | 98 Ų | 98 | 136.5 Ų | 136.5 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | trans | 43.4 | 123.6 | 145.4 | -147.3 | 0 | 0 | 0 | 0 | 127.7 | ||||
| 661 | S | 36.2 | Very low | 37.6 | Very low | 99 Ų | 99 | 133.4 Ų | 133.4 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | trans | 63.3 | 150 | 132.2 | 60.4 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 662 | S | 38.1 | Very low | 38 | Very low | 102 Ų | 102 | 133 Ų | 133 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | cis | -171.5 | 148.6 | -21.3 | -82.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 663 | Q | 38 | Very low | 38.2 | Very low | 158 Ų | 158 | 132 Ų | 132 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | trans | 23 | 162.5 | 146.1 | -72.3 | 163 | -72.5 | 0 | 0 | 123.1 | ||||
| 664 | E | 38.4 | Very low | 38.4 | Very low | 143 Ų | 143 | 132.6 Ų | 132.6 | 67% | 0.668 | 76% | 0.761 | S | S | * | * | cis | -165.7 | 140.9 | 3.5 | -119.3 | 165.3 | -166.1 | 0 | 0 | 111.8 | ||||
| 665 | F | 33.5 | Very low | 38.4 | Very low | 180 Ų | 180 | 135.4 Ų | 135.4 | 79% | 0.789 | 77% | 0.766 | S | S | * | * | 86 | 138.4 | 102.2 | -107.5 | -110.5 | 0 | 0 | 0 | 122.1 | |||||
| 666 | Y | 37.8 | Very low | 38.1 | Very low | 219 Ų | 219 | 134.7 Ų | 134.7 | 86% | 0.859 | 77% | 0.767 | S | S | * | * | trans | 144.8 | 159 | 143.9 | -87.3 | -80.6 | 0 | 0 | 0 | 116.4 | ||||
| 667 | K | 35.2 | Very low | 37.7 | Very low | 204 Ų | 204 | 138.5 Ų | 138.5 | 89% | 0.887 | 78% | 0.775 | S | S | * | * | trans | -142.5 | 175.1 | -150.2 | -105.4 | -164 | 164 | 172.8 | 0 | 116.7 | ||||
| 668 | P | 45.5 | Very low | 37.3 | Very low | 106 Ų | 106 | 143.5 Ų | 143.5 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | trans | -114.9 | -161.3 | -168.4 | 46.4 | -32.3 | 0 | 0 | 0 | 113.8 | ||||
| 669 | P | 42.6 | Very low | 36.9 | Very low | 105 Ų | 105 | 145.1 Ų | 145.1 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | -159.5 | -156.1 | 80.5 | 37.3 | -10.2 | 0 | 0 | 0 | 117.3 | |||||
| 670 | I | 40.8 | Very low | 36.6 | Very low | 165 Ų | 165 | 144.3 Ų | 144.3 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | 77.6 | 152.1 | 167.1 | -57.7 | 163.4 | 0 | 0 | 0 | 115.7 | ||||
| 671 | G | 38.6 | Very low | 36.1 | Very low | 64 Ų | 64 | 147.4 Ų | 147.4 | 66% | 0.66 | 78% | 0.783 | S | S | * | * | cis | 137.4 | 157.3 | -11.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 672 | P | 43.5 | Very low | 35.8 | Very low | 122 Ų | 122 | 148.8 Ų | 148.8 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | cis | -137.6 | -178.7 | -8.9 | 44.2 | -26.3 | 0 | 0 | 0 | 117.9 | ||||
| 673 | L | 37.8 | Very low | 35.5 | Very low | 163 Ų | 163 | 152.1 Ų | 152.1 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | 86.6 | 152.7 | 158.4 | -105.6 | 82.4 | 0 | 0 | 0 | 121.3 | ||||
| 674 | P | 38.9 | Very low | 35.1 | Very low | 104 Ų | 104 | 149.2 Ų | 149.2 | 68% | 0.675 | 80% | 0.797 | S | S | * | * | -136.2 | 152.3 | -90.3 | 42 | -26.4 | 0 | 0 | 0 | 118.3 | |||||
| 675 | N | 36 | Very low | 34.8 | Very low | 177 Ų | 177 | 147.3 Ų | 147.3 | 95% | 0.947 | 80% | 0.8 | S | S | * | * | trans | -171.4 | 115.2 | 139.1 | -113.4 | -38.6 | 0 | 0 | 0 | 111.2 | ||||
| 676 | A | 30.5 | Very low | 34.8 | Very low | 92 Ų | 92 | 147.7 Ų | 147.7 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | trans | -131.1 | 117.1 | -165.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 677 | M | 29 | Very low | 34.4 | Very low | 195 Ų | 195 | 143 Ų | 143 | 96% | 0.961 | 80% | 0.798 | S | S | * | * | trans | -169.8 | 93.4 | 131.4 | -119.7 | 179 | -82.2 | 0 | 0 | 110.2 | ||||
| 678 | R | 30.3 | Very low | 34.3 | Very low | 226 Ų | 226 | 139.1 Ų | 139.1 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -119.3 | 152.7 | 166.2 | -115.8 | -172.8 | -169.5 | 175.8 | 3.4 | 109.2 | ||||
| 679 | D | 29.9 | Very low | 33.6 | Very low | 128 Ų | 128 | 143.8 Ų | 143.8 | 68% | 0.684 | 80% | 0.795 | S | S | * | * | trans | 61.9 | 103.4 | 157.6 | -49.5 | -32.3 | 0 | 0 | 0 | 118.9 | ||||
| 680 | L | 29.3 | Very low | 33.1 | Very low | 180 Ų | 180 | 144.4 Ų | 144.4 | 94% | 0.942 | 80% | 0.799 | S | S | * | * | trans | -108.5 | 118.2 | 149.1 | -142.1 | 81.8 | 0 | 0 | 0 | 107.8 | ||||
| 681 | H | 29.3 | Very low | 32.7 | Very low | 164 Ų | 164 | 144.4 Ų | 144.4 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | trans | -61 | 142.7 | -174.6 | -83.4 | -122.6 | 0 | 0 | 0 | 113.6 | ||||
| 682 | C | 28.1 | Very low | 32.7 | Very low | 127 Ų | 127 | 147.2 Ų | 147.2 | 86% | 0.858 | 80% | 0.802 | S | S | * | * | trans | -134.3 | 97.6 | 152.6 | -94.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 683 | L | 31.9 | Very low | 32.3 | Very low | 173 Ų | 173 | 149 Ų | 149 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | trans | 47.8 | 94.6 | 160.5 | -70.6 | 155.4 | 0 | 0 | 0 | 117 | ||||
| 684 | S | 31.3 | Very low | 32.4 | Very low | 96 Ų | 96 | 146.9 Ų | 146.9 | 67% | 0.671 | 80% | 0.8 | S | S | * | * | trans | -76.5 | 139.5 | 166.1 | 50.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 685 | S | 31.2 | Very low | 32.5 | Very low | 104 Ų | 104 | 149.3 Ų | 149.3 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | 37 | 104 | 140.6 | -48.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 686 | E | 32.6 | Very low | 32.7 | Very low | 188 Ų | 188 | 151.4 Ų | 151.4 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | trans | -83.4 | 120.8 | 131 | -93.5 | -173.7 | 144.2 | 0 | 0 | 108.4 | V688 | E686-V688 PolarHBondContact O-N 3.4Å; E686-V688 VanDerWaalsContact O-N 3.13Å | ||
| 687 | V | 30.6 | Very low | 33.1 | Very low | 121 Ų | 121 | 152.8 Ų | 152.8 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | trans | -74.8 | 96.4 | 166.5 | 176.9 | 0 | 0 | 0 | 0 | 106.8 | R689 | V687-R689 VanDerWaalsContact C-N 3.31Å; V687-R689 PolarHBondContact O-N 3.03Å | ||
| 688 | V | 33.6 | Very low | 33.6 | Very low | 121 Ų | 121 | 155.1 Ų | 155.1 | 73% | 0.733 | 80% | 0.801 | S | S | * | * | trans | -66.3 | 99.7 | 164.5 | -179.2 | 0 | 0 | 0 | 0 | 106.4 | E686 | E686-V688 PolarHBondContact O-N 3.4Å; E686-V688 VanDerWaalsContact O-N 3.13Å | ||
| 689 | R | 29.3 | Very low | 34.4 | Very low | 205 Ų | 205 | 153 Ų | 153 | 77% | 0.774 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 137.2 | 172.9 | -77.9 | 179.7 | -100.8 | -157.5 | -4.7 | 108.4 | V687 H691 | V687-R689 VanDerWaalsContact C-N 3.31Å; V687-R689 PolarHBondContact O-N 3.03Å; R689-H691 PolarHBondContact O-N 3.04Å |
| 690 | P | 32.8 | Very low | 35.6 | Very low | 118 Ų | 118 | 152.2 Ų | 152.2 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 135.8 | 169.4 | 24.1 | -30.3 | 0 | 0 | 0 | 107.6 | ||
| 691 | H | 33.4 | Very low | 36.6 | Very low | 165 Ų | 165 | 148.7 Ų | 148.7 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -56 | 138.2 | 171.4 | -69 | 15.6 | 0 | 0 | 0 | 107.7 | R689 L693 | R689-H691 PolarHBondContact O-N 3.04Å; H691-L693 PolarHBondContact O-N 3.19Å |
| 692 | P | 37.2 | Very low | 38.1 | Very low | 123 Ų | 123 | 147.9 Ų | 147.9 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 135.5 | -179.6 | 23.7 | -32.8 | 0 | 0 | 0 | 108.9 | ||
| 693 | L | 35.5 | Very low | 39.7 | Very low | 159 Ų | 159 | 142.3 Ų | 142.3 | 83% | 0.832 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 144.9 | 168.7 | -77.2 | 160.8 | 0 | 0 | 0 | 108.4 | H691 D695 | H691-L693 PolarHBondContact O-N 3.19Å; L693-D695 PolarHBondContact O-N 3.17Å |
| 694 | P | 40.8 | Very low | 41.2 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 140.2 | 173 | -21.1 | 31.3 | 0 | 0 | 0 | 109.7 | R696 | P694-R696 PolarHBondContact O-N 2.96Š|
| 695 | D | 40.9 | Very low | 42.7 | Very low | 155 Ų | 155 | 138.4 Ų | 138.4 | 83% | 0.829 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 133.4 | -175.7 | -99 | -56.1 | 0 | 0 | 0 | 111.7 | L693 | L693-D695 PolarHBondContact O-N 3.17Š|
| 696 | R | 40.1 | Very low | 43.8 | Very low | 221 Ų | 221 | 139.7 Ų | 139.7 | 83% | 0.834 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 129.5 | 170.8 | -93 | -175.1 | 173.9 | 179.2 | -0.5 | 108 | P694 R698 | P694-R696 PolarHBondContact O-N 2.96Å; R696-R698 PolarHBondContact O-N 2.04Å |
| 697 | P | 38.7 | Very low | 45.6 | Very low | 121 Ų | 121 | 134.5 Ų | 134.5 | 79% | 0.786 | 73% | 0.728 | S | S | * | * | trans | -61.1 | 106.8 | 170.4 | 24.8 | -32.1 | 0 | 0 | 0 | 108.6 | K699 | P697-K699 PolarHBondContact O-N 3Š| ||
| 698 | R | 40.1 | Very low | 47.3 | Very low | 243 Ų | 243 | 131.5 Ų | 131.5 | 92% | 0.917 | 71% | 0.706 | S | S | * | * | trans | -75 | 67.8 | 173.8 | -67.8 | -171.4 | -176.9 | -158 | 4 | 109.9 | R696 | R696-R698 PolarHBondContact O-N 2.04Š| ||
| 699 | K | 47.1 | Very low | 48.6 | Very low | 183 Ų | 183 | 135.9 Ų | 135.9 | 80% | 0.796 | 71% | 0.709 | S | S | * | * | trans | -130.9 | 135.6 | 163.5 | -74.8 | -170.1 | 174.9 | -176.5 | 0 | 109 | P697 | P697-K699 PolarHBondContact O-N 3Š| ||
| 700 | P | 54.6 | Low | 49.9 | Very low | 111 Ų | 111 | 128.6 Ų | 128.6 | 72% | 0.721 | 69% | 0.688 | S | S | * | * | trans | -60.4 | 139.3 | 170.6 | -15.1 | 27.9 | 0 | 0 | 0 | 109.6 | I702 | P700-I702 PolarHBondContact O-N 2.89Å; P700-I702 VanDerWaalsContact O-N 3.13Å | ||
| 701 | I | 50.7 | Low | 51.1 | Low | 105 Ų | 105 | 128.4 Ų | 128.4 | 54% | 0.538 | 68% | 0.68 | S | S | . | * | trans | -72.5 | 105.3 | 164.4 | -62.8 | 173.6 | 0 | 0 | 0 | 106.2 | L724 | I701-L724 HydrophobicContact CD1-CB 4.32Š| ||
| 702 | I | 60.4 | Low | 51.9 | Low | 147 Ų | 147 | 131 Ų | 131 | 75% | 0.754 | 68% | 0.683 | S | S | * | * | trans | -84.8 | 116.2 | 172.3 | -59.7 | 173.5 | 0 | 0 | 0 | 106.5 | P700 | P700-I702 PolarHBondContact O-N 2.89Å; P700-I702 VanDerWaalsContact O-N 3.13Å | ||
| 703 | C | 60.8 | Low | 52.4 | Low | 11 Ų | 11 | 129.9 Ų | 129.9 | 7% | 0.074 | 68% | 0.675 | C | S | . | * | trans | -66.6 | 140.8 | 170.5 | -62.4 | 0 | 0 | 0 | 0 | 109.1 | T705 Q708 C726 | C703-T705 PolarHBondContact O-N 2.69Å; C703-T705 VanDerWaalsContact O-N 3.12Å; C703-Q708 HydrophobicContact CB-CB 3.64Å; C703-C726 WeakPolarHBondContact CA-SG 3.48Å; C703-C726 HydrophobicContact CB-CB 3.72Å; C703-C726 WeakPolarHBondContact CB-SG 3.39Å; C703-C726 WeakPolarHBondContact SG-CB 3.42Å; C703-C726 CovalentContact SG-SG 2.04Å; C703-C726 PolarHBondContact SG-SG 2.91Å | ||
| 704 | P | 63.5 | Low | 53 | Low | 122 Ų | 122 | 133 Ų | 133 | 79% | 0.792 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -64.6 | -19.8 | -173.1 | 25.5 | -34.6 | 0 | 0 | 0 | 113.4 | ||
| 705 | T | 63.1 | Low | 53.2 | Low | 64 Ų | 64 | 133 Ų | 133 | 39% | 0.393 | 68% | 0.676 | S | S | . | * | S | Bend | trans | -97.4 | 123 | 174.1 | -28.4 | 0 | 0 | 0 | 0 | 110.4 | C703 G707 Q708 | C703-T705 PolarHBondContact O-N 2.69Å; C703-T705 VanDerWaalsContact O-N 3.12Å; T705-G707 PolarHBondContact O-N 3.05Å; T705-Q708 PolarHBondContact O-N 3.46Å |
| 706 | P | 54.7 | Low | 53.6 | Low | 131 Ų | 131 | 132.5 Ų | 132.5 | 85% | 0.851 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.6 | 129.6 | 172.4 | -26.6 | 35.1 | 0 | 0 | 0 | 111.7 | ||
| 707 | G | 69.4 | Low | 53.8 | Low | 80 Ų | 80 | 132 Ų | 132 | 83% | 0.825 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 98.1 | -14.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | T705 | T705-G707 PolarHBondContact O-N 3.05Š|
| 708 | Q | 67 | Low | 53.7 | Low | 57 Ų | 57 | 133 Ų | 133 | 27% | 0.266 | 68% | 0.677 | S | S | . | * | trans | -74.8 | 147.2 | 177.9 | -76.1 | -168.7 | -13.9 | 0 | 0 | 113.8 | C703 T705 P727 | C703-Q708 HydrophobicContact CB-CB 3.64Å; T705-Q708 PolarHBondContact O-N 3.46Å; Q708-P727 PolarHBondContact NE2-O 2.93Å; Q708-P727 PolarHBondContact OE1-O 3.4Å | ||
| 709 | R | 60.6 | Low | 53.7 | Low | 214 Ų | 214 | 126.6 Ų | 126.6 | 81% | 0.808 | 67% | 0.667 | S | S | * | * | trans | -122.1 | 140 | 173.7 | -62.5 | -173.2 | -174.8 | -170.4 | 2.9 | 111.2 | ||||
| 710 | P | 56.4 | Low | 53.1 | Low | 51 Ų | 51 | 122.9 Ų | 122.9 | 33% | 0.331 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -69.2 | 146.5 | 177.5 | -19.2 | 31.7 | 0 | 0 | 0 | 113.7 | L724 | P710-L724 HydrophobicContact CB-CB 4.06Å; P710-L724 HydrophobicContact CB-CD2 4.24Å |
| 711 | I | 58 | Low | 52.5 | Low | 115 Ų | 115 | 124.5 Ų | 124.5 | 59% | 0.59 | 67% | 0.666 | S | S | * | * | B | Isolated β-bridge | trans | -99.9 | 139.1 | -177.3 | -55.7 | 175.6 | 0 | 0 | 0 | 111 | L724 I725 P727 | I711-L724 WeakPolarHBondContact O-CD2 3.4Å; I711-I725 PolarHBondContact N-O 2.96Å; I711-P727 HydrophobicContact CD1-CG 4.4Å |
| 712 | R | 51.5 | Low | 51.8 | Low | 219 Ų | 219 | 122.7 Ų | 122.7 | 83% | 0.826 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 142.6 | 173 | -82.3 | -169 | -175.5 | -164.4 | 5.3 | 112.5 | L724 | R712-L724 HydrophobicContact CG-CD2 3.99Š|
| 713 | P | 46 | Very low | 50.9 | Low | 99 Ų | 99 | 121.2 Ų | 121.2 | 64% | 0.643 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 153.4 | 167.5 | -18.9 | 32.1 | 0 | 0 | 0 | 113.4 | ||
| 714 | R | 49.2 | Very low | 50.4 | Low | 226 Ų | 226 | 124.4 Ų | 124.4 | 85% | 0.853 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 159.6 | 173.8 | -77.8 | -176 | 175.6 | -179.6 | -0.7 | 112.4 | D716 | R714-D716 PolarHBondContact O-N 3.18Š|
| 715 | P | 44.8 | Very low | 49.8 | Very low | 119 Ų | 119 | 124.7 Ų | 124.7 | 77% | 0.773 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -16.6 | -164.8 | -20.1 | 34.9 | 0 | 0 | 0 | 117.6 | Y717 | P715-Y717 PolarHBondContact O-N 2.89Š|
| 716 | D | 48.8 | Very low | 49.5 | Very low | 144 Ų | 144 | 122.8 Ų | 122.8 | 77% | 0.77 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | 8.9 | -160.1 | -57 | -49.4 | 0 | 0 | 0 | 116 | R714 | R714-D716 PolarHBondContact O-N 3.18Š|
| 717 | Y | 43.5 | Very low | 49.8 | Very low | 210 Ų | 210 | 119.1 Ų | 119.1 | 82% | 0.824 | 64% | 0.641 | S | S | * | * | trans | -120.2 | 105.1 | 177.3 | -83.8 | -98.6 | 0 | 0 | 0 | 111.8 | P715 | P715-Y717 PolarHBondContact O-N 2.89Š| ||
| 718 | T | 36.9 | Very low | 48.9 | Very low | 143 Ų | 143 | 122.4 Ų | 122.4 | 88% | 0.877 | 64% | 0.637 | S | S | * | * | trans | -77.1 | 105.3 | 162 | 52.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 719 | P | 40.7 | Very low | 47.9 | Very low | 108 Ų | 108 | 124.9 Ų | 124.9 | 70% | 0.701 | 66% | 0.658 | S | S | * | * | -129.5 | 147.5 | 106.1 | 35.3 | -27.8 | 0 | 0 | 0 | 112.3 | N721 | P719-N721 PolarHBondContact O-N 2.88Š| |||
| 720 | S | 35.5 | Very low | 47.6 | Very low | 104 Ų | 104 | 119 Ų | 119 | 73% | 0.727 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -59.8 | 133.8 | 175.9 | 49.1 | 0 | 0 | 0 | 0 | 112 | ||
| 721 | N | 40.7 | Very low | 46.7 | Very low | 145 Ų | 145 | 120.2 Ų | 120.2 | 78% | 0.775 | 67% | 0.673 | S | S | * | * | trans | 100.4 | 62.9 | 172 | -49.9 | -15.8 | 0 | 0 | 0 | 116.3 | P719 | P719-N721 PolarHBondContact O-N 2.88Š| ||
| 722 | G | 36.7 | Very low | 45.7 | Very low | 68 Ų | 68 | 122.6 Ų | 122.6 | 70% | 0.701 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 123 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 723 | I | 41.7 | Very low | 44.7 | Very low | 116 Ų | 116 | 119.9 Ų | 119.9 | 60% | 0.595 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 145.5 | 174.5 | -67.2 | 172.8 | 0 | 0 | 0 | 109.6 | L738 | I723-L738 HydrophobicContact CD1-CD2 4.18Š|
| 724 | L | 50.5 | Low | 44 | Very low | 78 Ų | 78 | 123.5 Ų | 123.5 | 41% | 0.408 | 70% | 0.696 | S | S | . | * | P | Polyproline II helix | trans | -78.1 | 132.1 | 174.8 | -73.4 | 161.8 | 0 | 0 | 0 | 110.5 | I701 P710 I711 R712 | I701-L724 HydrophobicContact CD1-CB 4.32Å; P710-L724 HydrophobicContact CB-CB 4.06Å; P710-L724 HydrophobicContact CB-CD2 4.24Å; I711-L724 WeakPolarHBondContact O-CD2 3.4Å; R712-L724 HydrophobicContact CG-CD2 3.99Å |
| 725 | I | 50.8 | Low | 43.1 | Very low | 127 Ų | 127 | 119.2 Ų | 119.2 | 65% | 0.651 | 70% | 0.695 | S | S | * | * | B | Isolated β-bridge | trans | -120.2 | 140.9 | -177.7 | -49.6 | 177.5 | 0 | 0 | 0 | 109.4 | I711 | I711-I725 PolarHBondContact N-O 2.96Å |
| 726 | C | 57 | Low | 42.3 | Very low | 24 Ų | 24 | 119.4 Ų | 119.4 | 16% | 0.162 | 69% | 0.693 | C | S | . | * | P | Polyproline II helix | trans | -85.9 | 131 | 169.1 | -62.2 | 0 | 0 | 0 | 0 | 109.5 | C703 M728 | C703-C726 WeakPolarHBondContact CA-SG 3.48Å; C703-C726 HydrophobicContact CB-CB 3.72Å; C703-C726 WeakPolarHBondContact CB-SG 3.39Å; C703-C726 WeakPolarHBondContact SG-CB 3.42Å; C703-C726 CovalentContact SG-SG 2.04Å; C703-C726 PolarHBondContact SG-SG 2.91Å; C726-M728 PolarHBondContact O-N 2.89Å |
| 727 | P | 60.1 | Low | 41.5 | Very low | 55 Ų | 55 | 117.8 Ų | 117.8 | 36% | 0.357 | 69% | 0.691 | S | S | . | * | P | Polyproline II helix | trans | -69.2 | 129.2 | -179 | 27.9 | -33.6 | 0 | 0 | 0 | 111.2 | Q708 I711 | Q708-P727 PolarHBondContact NE2-O 2.93Å; Q708-P727 PolarHBondContact OE1-O 3.4Å; I711-P727 HydrophobicContact CD1-CG 4.4Å |
| 728 | M | 51.1 | Low | 40.7 | Very low | 148 Ų | 148 | 113.9 Ų | 113.9 | 73% | 0.729 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 140.3 | 169.2 | -62.2 | -152.3 | -52.8 | 0 | 0 | 110.3 | C726 | C726-M728 PolarHBondContact O-N 2.89Š|
| 729 | P | 46.4 | Very low | 40.4 | Very low | 110 Ų | 110 | 112.6 Ų | 112.6 | 71% | 0.714 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | 131.5 | 169.9 | 29.3 | -32.3 | 0 | 0 | 0 | 110.1 | ||
| 730 | G | 52.5 | Low | 39.8 | Very low | 89 Ų | 89 | 112.9 Ų | 112.9 | 92% | 0.918 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 100.3 | 14.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 731 | S | 37.8 | Very low | 39.5 | Very low | 78 Ų | 78 | 113.7 Ų | 113.7 | 55% | 0.545 | 68% | 0.68 | S | S | . | * | trans | -129.9 | 122.5 | 173.8 | 48.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 732 | D | 38.1 | Very low | 38.8 | Very low | 164 Ų | 164 | 116.1 Ų | 116.1 | 88% | 0.877 | 68% | 0.684 | S | S | * | * | trans | -62.7 | 144.5 | 170.5 | -79.3 | -50.8 | 0 | 0 | 0 | 111.7 | Q734 | D732-Q734 PolarHBondContact O-N 3.34Š| ||
| 733 | I | 30.9 | Very low | 38.4 | Very low | 163 Ų | 163 | 117.3 Ų | 117.3 | 84% | 0.836 | 68% | 0.679 | S | S | * | * | trans | -75.4 | 97.8 | -169.3 | -57.3 | 172.7 | 0 | 0 | 0 | 110.8 | ||||
| 734 | Q | 31.2 | Very low | 37.9 | Very low | 174 Ų | 174 | 116.1 Ų | 116.1 | 81% | 0.813 | 68% | 0.678 | S | S | * | * | trans | -98.2 | 132.5 | 153.9 | -72.1 | -167.4 | 7 | 0 | 0 | 110.5 | D732 V736 | D732-Q734 PolarHBondContact O-N 3.34Å; Q734-V736 PolarHBondContact O-N 2.72Å | ||
| 735 | V | 29.5 | Very low | 37.1 | Very low | 137 Ų | 137 | 115.3 Ų | 115.3 | 83% | 0.83 | 68% | 0.682 | S | S | * | * | trans | -78.1 | 91.8 | -178.4 | -177.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 736 | V | 28.6 | Very low | 36.2 | Very low | 123 Ų | 123 | 115 Ų | 115 | 75% | 0.745 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 124.7 | 174.2 | -174.5 | 0 | 0 | 0 | 0 | 109.6 | Q734 | Q734-V736 PolarHBondContact O-N 2.72Š|
| 737 | P | 31.9 | Very low | 35 | Very low | 110 Ų | 110 | 118.2 Ų | 118.2 | 71% | 0.714 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 147.5 | 172.4 | -19.5 | 32.1 | 0 | 0 | 0 | 111.2 | ||
| 738 | L | 26.8 | Very low | 33.6 | Very low | 128 Ų | 128 | 117.9 Ų | 117.9 | 67% | 0.67 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 141.4 | 175.8 | -90.9 | 113.4 | 0 | 0 | 0 | 111.5 | I723 T740 | I723-L738 HydrophobicContact CD1-CD2 4.18Å; L738-T740 PolarHBondContact O-N 3.24Å |
| 739 | P | 30.6 | Very low | 32.8 | Very low | 116 Ų | 116 | 111.5 Ų | 111.5 | 75% | 0.753 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -58 | 126.8 | 175.3 | 24.6 | -33 | 0 | 0 | 0 | 109.3 | ||
| 740 | T | 27.2 | Very low | 32.4 | Very low | 114 Ų | 114 | 107.6 Ų | 107.6 | 70% | 0.699 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 145.8 | 165.1 | 42.2 | 0 | 0 | 0 | 0 | 109.7 | L738 F742 | L738-T740 PolarHBondContact O-N 3.24Å; T740-F742 PolarHBondContact O-N 3.46Å |
| 741 | P | 29.5 | Very low | 31.6 | Very low | 120 Ų | 120 | 105.5 Ų | 105.5 | 78% | 0.779 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -51.6 | 135.9 | 171.2 | 24.5 | -34.2 | 0 | 0 | 0 | 109 | ||
| 742 | F | 25.8 | Very low | 31.6 | Very low | 197 Ų | 197 | 106.4 Ų | 106.4 | 86% | 0.864 | 60% | 0.599 | S | S | * | * | trans | -36.6 | 128.6 | -171.3 | -82.3 | -91.7 | 0 | 0 | 0 | 112.1 | T740 T744 | T740-F742 PolarHBondContact O-N 3.46Å; F742-T744 PolarHBondContact O-N 2.8Å; F742-T744 VanDerWaalsContact O-N 3.11Å | ||
| 743 | P | 28.5 | Very low | 31.3 | Very low | 93 Ų | 93 | 105.7 Ų | 105.7 | 60% | 0.604 | 59% | 0.59 | S | S | * | * | trans | -57.7 | 123.1 | 179.3 | 23.9 | -32.4 | 0 | 0 | 0 | 109 | A745 | P743-A745 PolarHBondContact O-N 2.97Š| ||
| 744 | T | 30.5 | Very low | 31.3 | Very low | 91 Ų | 91 | 101 Ų | 101 | 56% | 0.558 | 58% | 0.577 | S | S | * | * | trans | -61.2 | 124 | 170.4 | -44.8 | 0 | 0 | 0 | 0 | 107.1 | F742 E746 | F742-T744 PolarHBondContact O-N 2.8Å; F742-T744 VanDerWaalsContact O-N 3.11Å; T744-E746 PolarHBondContact O-N 3.28Å | ||
| 745 | A | 33.5 | Very low | 31.4 | Very low | 61 Ų | 61 | 98 Ų | 98 | 50% | 0.504 | 57% | 0.569 | S | S | . | * | trans | -38.8 | 113.4 | -169.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P743 | P743-A745 PolarHBondContact O-N 2.97Š| ||
| 746 | E | 31.9 | Very low | 31.4 | Very low | 121 Ų | 121 | 95.7 Ų | 95.7 | 57% | 0.565 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 119.3 | -174.2 | -60.9 | -171.6 | -176.2 | 0 | 0 | 109.3 | T744 | T744-E746 PolarHBondContact O-N 3.28Š|
| 747 | Y | 32 | Very low | 31.4 | Very low | 91 Ų | 91 | 96.9 Ų | 96.9 | 36% | 0.357 | 57% | 0.573 | S | S | . | * | B | Isolated β-bridge | trans | -92.7 | 118.2 | 171.3 | -113.5 | -94.7 | 0 | 0 | 0 | 108.6 | H959 | Y747-H959 HydrophobicContact CD2-CB 4.42Å |
| 748 | P | 32.3 | Very low | 31.2 | Very low | 48 Ų | 48 | 97.6 Ų | 97.6 | 31% | 0.312 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -59.1 | 140.3 | 161 | 27.1 | -31.8 | 0 | 0 | 0 | 108 | S750 | P748-S750 PolarHBondContact O-N 2.98Š|
| 749 | S | 33.6 | Very low | 31.3 | Very low | 13 Ų | 13 | 98.3 Ų | 98.3 | 9% | 0.091 | 58% | 0.578 | C | S | . | * | P | Polyproline II helix | trans | -53.7 | 124.2 | 175 | 45.2 | 0 | 0 | 0 | 0 | 108.8 | S751 | S749-S751 PolarHBondContact O-N 2.89Š|
| 750 | S | 38.3 | Very low | 31.1 | Very low | 29 Ų | 29 | 100 Ų | 100 | 20% | 0.203 | 58% | 0.58 | C | S | . | * | S | Bend | trans | -77.3 | 63.2 | -166.5 | 45.6 | 0 | 0 | 0 | 0 | 113.5 | P748 | P748-S750 PolarHBondContact O-N 2.98Š|
| 751 | S | 35.4 | Very low | 31.1 | Very low | 44 Ų | 44 | 99.5 Ų | 99.5 | 31% | 0.308 | 58% | 0.578 | S | S | . | * | S | Bend | trans | -117.6 | 104.6 | 156 | 52 | 0 | 0 | 0 | 0 | 107.5 | S749 E753 | S749-S751 PolarHBondContact O-N 2.89Å; S751-E753 PolarHBondContact O-N 2.9Å; S751-E753 VanDerWaalsContact O-N 3.13Å |
| 752 | I | 36.7 | Very low | 31 | Very low | 97 Ų | 97 | 99.2 Ų | 99.2 | 50% | 0.497 | 58% | 0.579 | S | S | . | * | S | Bend | trans | 78.8 | -39.6 | 165.8 | -54.5 | 166.5 | 0 | 0 | 0 | 117.5 | A754 I785 | I752-A754 PolarHBondContact O-N 2.89Å; I752-I785 HydrophobicContact CB-CD1 4Å; I752-I785 HydrophobicContact CD1-CD1 3.83Å; I752-I785 HydrophobicContact CG2-CD1 3.73Å |
| 753 | E | 32.3 | Very low | 31.2 | Very low | 149 Ų | 149 | 96.9 Ų | 96.9 | 70% | 0.696 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -8.2 | -167.8 | -67.4 | -175.1 | 158.8 | 0 | 0 | 117.5 | S751 | S751-E753 PolarHBondContact O-N 2.9Å; S751-E753 VanDerWaalsContact O-N 3.13Å |
| 754 | A | 31.7 | Very low | 31.3 | Very low | 66 Ų | 66 | 97.3 Ų | 97.3 | 55% | 0.545 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.9 | 4.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | I752 | I752-A754 PolarHBondContact O-N 2.89Š|
| 755 | V | 31.8 | Very low | 31.2 | Very low | 109 Ų | 109 | 103 Ų | 103 | 66% | 0.661 | 60% | 0.595 | S | S | * | * | trans | -130.7 | 105 | 178.8 | -174.2 | 0 | 0 | 0 | 0 | 109.1 | M757 | V755-M757 PolarHBondContact O-N 3.41Š| ||
| 756 | G | 30.4 | Very low | 31.3 | Very low | 89 Ų | 89 | 106.8 Ų | 106.8 | 92% | 0.918 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -70.9 | 27.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 757 | M | 29.1 | Very low | 31.2 | Very low | 149 Ų | 149 | 106.8 Ų | 106.8 | 73% | 0.734 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -145 | 105.4 | 177.4 | -76.6 | -73.9 | -91 | 0 | 0 | 108 | V755 I759 | V755-M757 PolarHBondContact O-N 3.41Å; M757-I759 PolarHBondContact O-N 2.98Å; M757-I759 VanDerWaalsContact O-N 3.13Å |
| 758 | V | 28.2 | Very low | 31.4 | Very low | 124 Ų | 124 | 109.2 Ų | 109.2 | 75% | 0.752 | 62% | 0.619 | S | S | * | * | trans | -77 | 97.5 | 175.9 | 177.9 | 0 | 0 | 0 | 0 | 109 | L760 | V758-L760 HydrophobicContact CG1-CD1 4.46Å; V758-L760 HydrophobicContact CG1-CG 4.24Å; V758-L760 PolarHBondContact O-N 3.13Å | ||
| 759 | I | 28.5 | Very low | 31.4 | Very low | 144 Ų | 144 | 111 Ų | 111 | 74% | 0.738 | 63% | 0.633 | S | S | * | * | trans | -88.5 | 99.4 | 165.6 | -56.6 | 177.5 | 0 | 0 | 0 | 107.2 | M757 P761 | M757-I759 PolarHBondContact O-N 2.98Å; M757-I759 VanDerWaalsContact O-N 3.13Å; I759-P761 VanDerWaalsContact O-CD 3.26Å; I759-P761 WeakPolarHBondContact O-CD 3.1Å | ||
| 760 | L | 25.1 | Very low | 31.4 | Very low | 150 Ų | 150 | 116 Ų | 116 | 79% | 0.785 | 66% | 0.659 | S | S | * | * | trans | -67.4 | 113.2 | 165.9 | -86.5 | 146.4 | 0 | 0 | 0 | 108.5 | V758 S762 | V758-L760 HydrophobicContact CG1-CD1 4.46Å; V758-L760 HydrophobicContact CG1-CG 4.24Å; V758-L760 PolarHBondContact O-N 3.13Å; L760-S762 PolarHBondContact O-N 3.03Å | ||
| 761 | P | 28.3 | Very low | 31.3 | Very low | 104 Ų | 104 | 124.3 Ų | 124.3 | 68% | 0.675 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 120.6 | 166.8 | 18.8 | -7.1 | 0 | 0 | 0 | 107.4 | I759 L763 | I759-P761 VanDerWaalsContact O-CD 3.26Å; I759-P761 WeakPolarHBondContact O-CD 3.1Å; P761-L763 PolarHBondContact O-N 3.28Å; P761-L763 VanDerWaalsContact O-N 3.09Å |
| 762 | S | 27.1 | Very low | 31.5 | Very low | 114 Ų | 114 | 125.4 Ų | 125.4 | 80% | 0.797 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 116 | 170.5 | 39.8 | 0 | 0 | 0 | 0 | 109.1 | L760 P764 | L760-S762 PolarHBondContact O-N 3.03Å; S762-P764 VanDerWaalsContact O-CD 3.22Å; S762-P764 WeakPolarHBondContact O-CD 3.5Å |
| 763 | L | 29.2 | Very low | 31.5 | Very low | 148 Ų | 148 | 124 Ų | 124 | 78% | 0.775 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 118.4 | 177.4 | -80.4 | 165.9 | 0 | 0 | 0 | 109.1 | P761 K765 | P761-L763 PolarHBondContact O-N 3.28Å; P761-L763 VanDerWaalsContact O-N 3.09Å; L763-K765 PolarHBondContact O-N 3.01Å |
| 764 | P | 30.8 | Very low | 31.5 | Very low | 103 Ų | 103 | 121.6 Ų | 121.6 | 67% | 0.669 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 138.1 | 171.1 | -19.4 | 32.6 | 0 | 0 | 0 | 109 | S762 Y766 | S762-P764 VanDerWaalsContact O-CD 3.22Å; S762-P764 WeakPolarHBondContact O-CD 3.5Å; P764-Y766 PolarHBondContact O-N 3.06Å; P764-Y766 VanDerWaalsContact O-N 3.11Å |
| 765 | K | 29.8 | Very low | 31.8 | Very low | 211 Ų | 211 | 121.2 Ų | 121.2 | 92% | 0.917 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 119.3 | 173 | -74.7 | 179 | 177.8 | 173.6 | 0 | 108.6 | L763 D767 | L763-K765 PolarHBondContact O-N 3.01Å; K765-D767 PolarHBondContact O-N 2.86Å |
| 766 | Y | 34.2 | Very low | 32.3 | Very low | 140 Ų | 140 | 117.7 Ų | 117.7 | 55% | 0.549 | 66% | 0.656 | S | S | . | * | P | Polyproline II helix | trans | -63.8 | 125.9 | 178.6 | -81.8 | -100.3 | 0 | 0 | 0 | 110.4 | P764 L768 I773 | P764-Y766 PolarHBondContact O-N 3.06Å; P764-Y766 VanDerWaalsContact O-N 3.11Å; Y766-L768 PolarHBondContact O-N 3.22Å; Y766-I773 HydrophobicContact CD1-CD1 4.48Å |
| 767 | D | 30.8 | Very low | 32.7 | Very low | 121 Ų | 121 | 118.1 Ų | 118.1 | 65% | 0.647 | 63% | 0.634 | S | S | * | * | trans | -76.2 | 111.8 | 161.2 | -177.3 | 13 | 0 | 0 | 0 | 109.2 | K765 S769 | K765-D767 PolarHBondContact O-N 2.86Å; D767-S769 VanDerWaalsContact C-N 3.28Å; D767-S769 WeakPolarHBondContact OD1-CB 3.25Å; D767-S769 PolarHBondContact OD1-N 2.88Å; D767-S769 PolarHBondContact OD1-OG 3.04Å; D767-S769 VanDerWaalsContact OD1-OG 3.12Å; D767-S769 WeakPolarHBondContact OD2-CB 3.32Å; D767-S769 PolarHBondContact OD2-OG 2.98Å | ||
| 768 | L | 36.4 | Very low | 33.3 | Very low | 141 Ų | 141 | 114 Ų | 114 | 74% | 0.738 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | 7.8 | 178.4 | -70.7 | 166.5 | 0 | 0 | 0 | 112.7 | Y766 N770 | Y766-L768 PolarHBondContact O-N 3.22Å; L768-N770 PolarHBondContact O-N 3.04Å |
| 769 | S | 31.8 | Very low | 34.1 | Very low | 86 Ų | 86 | 109.1 Ų | 109.1 | 60% | 0.601 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | -25.9 | 179.5 | 70.5 | 0 | 0 | 0 | 0 | 113.9 | D767 | D767-S769 VanDerWaalsContact C-N 3.28Å; D767-S769 WeakPolarHBondContact OD1-CB 3.25Å; D767-S769 PolarHBondContact OD1-N 2.88Å; D767-S769 PolarHBondContact OD1-OG 3.04Å; D767-S769 VanDerWaalsContact OD1-OG 3.12Å; D767-S769 WeakPolarHBondContact OD2-CB 3.32Å; D767-S769 PolarHBondContact OD2-OG 2.98Å |
| 770 | N | 33 | Very low | 34.2 | Very low | 117 Ų | 117 | 110 Ų | 110 | 63% | 0.626 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -101.7 | 129.3 | -172 | -143 | -11.6 | 0 | 0 | 0 | 113 | L768 T772 | L768-N770 PolarHBondContact O-N 3.04Å; N770-T772 VanDerWaalsContact C-N 3.25Å; N770-T772 PolarHBondContact O-N 3.03Å |
| 771 | R | 36.3 | Very low | 34.8 | Very low | 205 Ų | 205 | 105 Ų | 105 | 77% | 0.774 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | 11.3 | -160.4 | -75.8 | 178.9 | 162.3 | 149.3 | -5.2 | 116.6 | ||
| 772 | T | 39.8 | Very low | 34.7 | Very low | 67 Ų | 67 | 110.4 Ų | 110.4 | 41% | 0.411 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.7 | -16.8 | -162.1 | 47.3 | 0 | 0 | 0 | 0 | 116.1 | N770 A774 T775 H776 | N770-T772 VanDerWaalsContact C-N 3.25Å; N770-T772 PolarHBondContact O-N 3.03Å; T772-A774 PolarHBondContact O-N 3.24Å; T772-T775 PolarHBondContact O-OG1 3.16Å; T772-H776 PolarHBondContact O-CE1 3.48Å |
| 773 | I | 36.5 | Very low | 34.8 | Very low | 66 Ų | 66 | 109.7 Ų | 109.7 | 34% | 0.338 | 56% | 0.558 | S | S | . | * | G | 310 helix | trans | -77.8 | -19.4 | -173.1 | -60.8 | 173.1 | 0 | 0 | 0 | 112.9 | Y766 T775 | Y766-I773 HydrophobicContact CD1-CD1 4.48Å; I773-T775 PolarHBondContact O-N 3.28Å |
| 774 | A | 32.4 | Very low | 34.6 | Very low | 99 Ų | 99 | 110 Ų | 110 | 82% | 0.818 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -85.7 | -3.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | T772 | T772-A774 PolarHBondContact O-N 3.24Š|
| 775 | T | 38.6 | Very low | 34.5 | Very low | 59 Ų | 59 | 109.7 Ų | 109.7 | 36% | 0.362 | 55% | 0.552 | S | S | . | * | G | 310 helix | trans | -96.7 | -6.8 | -169.6 | 57.9 | 0 | 0 | 0 | 0 | 115.2 | T772 I773 E1073 | T772-T775 PolarHBondContact O-OG1 3.16Å; I773-T775 PolarHBondContact O-N 3.28Å; T775-E1073 WeakPolarHBondContact CG2-OE1 3.49Å |
| 776 | H | 41.3 | Very low | 34.3 | Very low | 34 Ų | 34 | 107.9 Ų | 107.9 | 16% | 0.157 | 55% | 0.551 | C | S | . | * | S | Bend | trans | -148.8 | 151.2 | -175.1 | 53.6 | -79.1 | 0 | 0 | 0 | 112.8 | T772 H778 I1031 | T772-H776 PolarHBondContact O-CE1 3.48Å; H776-H778 AromaticContact NE2-CE1 3.97Å; H776-H778 AromaticContact NE2-NE2 3.75Å; H776-H778 PolarHBondContact O-N 2.92Å; H776-I1031 HydrophobicContact CB-CD1 4.28Å; H776-I1031 HydrophobicContact CB-CG2 4.15Å |
| 777 | E | 39.5 | Very low | 33.8 | Very low | 98 Ų | 98 | 104.6 Ų | 104.6 | 46% | 0.458 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.2 | 114.6 | -178.4 | -67.6 | -173.7 | 158.3 | 0 | 0 | 111.9 | R998 | E777-R998 HydrophobicContact CB-CG 4.42Å; E777-R998 IonicContact OE2-CZ 3.33Å; E777-R998 IonicContact OE2-NE 3.81Å; E777-R998 PolarHBondContact OE2-NE 3.43Å; E777-R998 IonicContact OE2-NH2 3.52Å; E777-R998 PolarHBondContact OE2-NH2 3.27Å |
| 778 | H | 41.5 | Very low | 33.5 | Very low | 62 Ų | 62 | 108 Ų | 108 | 29% | 0.287 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.8 | 137.6 | 164.8 | -72.6 | -81.1 | 0 | 0 | 0 | 111.1 | H776 L780 | H776-H778 AromaticContact NE2-CE1 3.97Å; H776-H778 AromaticContact NE2-NE2 3.75Å; H776-H778 PolarHBondContact O-N 2.92Å; H778-L780 PolarHBondContact O-N 3.25Å |
| 779 | I | 44.9 | Very low | 32.9 | Very low | 22 Ų | 22 | 107.2 Ų | 107.2 | 11% | 0.113 | 58% | 0.578 | C | S | . | * | trans | -92.7 | 102.9 | 176.9 | -64.5 | 174.3 | 0 | 0 | 0 | 109 | V781 P858 A860 P996 R998 | I779-V781 PolarHBondContact O-N 2.6Å; I779-P858 WeakPolarHBondContact CD1-O 3.4Å; I779-A860 HydrophobicContact CD1-CB 4.03Å; I779-P996 HydrophobicContact CB-CB 4.44Å; I779-P996 HydrophobicContact CB-CG 4.49Å; I779-P996 PolarHBondContact N-O 3.4Å; I779-R998 HydrophobicContact CD1-CB 4.35Å; I779-R998 HydrophobicContact CD1-CG 4.14Å; I779-R998 HydrophobicContact CG1-CG 4.47Å | ||
| 780 | L | 31.7 | Very low | 32.6 | Very low | 163 Ų | 163 | 108 Ų | 108 | 85% | 0.853 | 59% | 0.589 | S | S | * | * | trans | -70.8 | 107.7 | 168.3 | -70.6 | 172.1 | 0 | 0 | 0 | 109.4 | H778 | H778-L780 PolarHBondContact O-N 3.25Š| ||
| 781 | V | 36.3 | Very low | 32.2 | Very low | 46 Ų | 46 | 109.7 Ų | 109.7 | 28% | 0.279 | 60% | 0.597 | S | S | . | * | trans | -75 | 126.2 | 168.9 | -176.1 | 0 | 0 | 0 | 0 | 107.8 | I779 | I779-V781 PolarHBondContact O-N 2.6Š| ||
| 782 | R | 27.5 | Very low | 31.7 | Very low | 217 Ų | 217 | 104.6 Ų | 104.6 | 82% | 0.819 | 60% | 0.599 | S | S | * | * | trans | -87.5 | 106.1 | 169.2 | -85.4 | -174.6 | 174.8 | 160.7 | -1.8 | 108.9 | N784 | R782-N784 PolarHBondContact O-N 3.39Š| ||
| 783 | D | 28.6 | Very low | 31 | Very low | 99 Ų | 99 | 110.6 Ų | 110.6 | 53% | 0.529 | 62% | 0.619 | S | S | . | * | trans | -74.6 | 114.8 | 169.1 | -64 | -30.7 | 0 | 0 | 0 | 109.1 | I785 | D783-I785 VanDerWaalsContact C-N 3.32Å; D783-I785 PolarHBondContact O-N 3.48Å | ||
| 784 | N | 25.8 | Very low | 30.5 | Very low | 154 Ų | 154 | 111.3 Ų | 111.3 | 82% | 0.824 | 64% | 0.643 | S | S | * | * | trans | -88.6 | 72.2 | 174.5 | -103.7 | 21.7 | 0 | 0 | 0 | 109.1 | R782 | R782-N784 PolarHBondContact O-N 3.39Š| ||
| 785 | I | 27.9 | Very low | 30.1 | Very low | 97 Ų | 97 | 111.4 Ų | 111.4 | 50% | 0.497 | 64% | 0.637 | S | S | . | * | trans | -126.8 | 104.8 | 170.7 | -55.4 | -179.2 | 0 | 0 | 0 | 109 | I752 D783 | I752-I785 HydrophobicContact CB-CD1 4Å; I752-I785 HydrophobicContact CD1-CD1 3.83Å; I752-I785 HydrophobicContact CG2-CD1 3.73Å; D783-I785 VanDerWaalsContact C-N 3.32Å; D783-I785 PolarHBondContact O-N 3.48Å | ||
| 786 | I | 24.6 | Very low | 29.6 | Very low | 172 Ų | 172 | 114.5 Ų | 114.5 | 88% | 0.882 | 66% | 0.661 | S | S | * | * | S | Bend | trans | 20.5 | 106.2 | 151.8 | -48.7 | 175.9 | 0 | 0 | 0 | 116 | ||
| 787 | G | 25 | Very low | 28.8 | Very low | 71 Ų | 71 | 116.7 Ų | 116.7 | 73% | 0.732 | 69% | 0.686 | S | S | * | * | trans | 160.2 | 99.4 | 169 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 788 | E | 23.8 | Very low | 28.1 | Very low | 192 Ų | 192 | 116.5 Ų | 116.5 | 90% | 0.897 | 70% | 0.695 | S | S | * | * | trans | -68.5 | 158.2 | 156.2 | -69.8 | -177.5 | 130.1 | 0 | 0 | 109.1 | ||||
| 789 | S | 23.6 | Very low | 27.4 | Very low | 125 Ų | 125 | 120.3 Ų | 120.3 | 87% | 0.874 | 73% | 0.727 | S | S | * | * | trans | 76.7 | 71.4 | 178.7 | 74.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 790 | A | 26.2 | Very low | 26.5 | Very low | 102 Ų | 102 | 122.4 Ų | 122.4 | 84% | 0.843 | 75% | 0.748 | S | S | * | * | trans | -157 | 110.1 | 142.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 791 | I | 24.9 | Very low | 26.1 | Very low | 153 Ų | 153 | 125.9 Ų | 125.9 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | -91.5 | 120.5 | 179.9 | -64.9 | 172.9 | 0 | 0 | 0 | 110.2 | K793 | I791-K793 HydrophobicContact CG2-CB 4.4Å; I791-K793 HydrophobicContact CG2-CG 4.14Å | ||
| 792 | A | 26.1 | Very low | 25.6 | Very low | 99 Ų | 99 | 131.5 Ų | 131.5 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -132.1 | 77.2 | 155.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | G794 | A792-G794 VanDerWaalsContact C-N 3.29Å; A792-G794 PolarHBondContact O-N 2.95Å | ||
| 793 | K | 24.9 | Very low | 25.5 | Very low | 192 Ų | 192 | 126.8 Ų | 126.8 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | trans | -70.2 | 82.2 | 172.4 | -81.6 | 177.9 | 176.3 | 173.4 | 0 | 110.6 | I791 S795 | I791-K793 HydrophobicContact CG2-CB 4.4Å; I791-K793 HydrophobicContact CG2-CG 4.14Å; K793-S795 PolarHBondContact O-N 2.57Å; K793-S795 VanDerWaalsContact O-N 3.13Å | ||
| 794 | G | 24.7 | Very low | 25.5 | Very low | 81 Ų | 81 | 129.1 Ų | 129.1 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -76.5 | 84 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111 | A792 | A792-G794 VanDerWaalsContact C-N 3.29Å; A792-G794 PolarHBondContact O-N 2.95Å | ||
| 795 | S | 24.7 | Very low | 25.6 | Very low | 101 Ų | 101 | 129.5 Ų | 129.5 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | -80.5 | 127.7 | 175.2 | -176.8 | 0 | 0 | 0 | 0 | 111.1 | K793 A797 | K793-S795 PolarHBondContact O-N 2.57Å; K793-S795 VanDerWaalsContact O-N 3.13Å; S795-A797 PolarHBondContact OG-N 3.16Å | ||
| 796 | S | 27.7 | Very low | 25.6 | Very low | 124 Ų | 124 | 128.5 Ų | 128.5 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | trans | -111.4 | 55.3 | 156.6 | 59.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 797 | A | 24.8 | Very low | 25.7 | Very low | 81 Ų | 81 | 129.5 Ų | 129.5 | 67% | 0.669 | 80% | 0.804 | S | S | * | * | trans | -60.9 | 139.5 | 143.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | S795 | S795-A797 PolarHBondContact OG-N 3.16Š| ||
| 798 | S | 25.9 | Very low | 25.7 | Very low | 94 Ų | 94 | 133.9 Ų | 133.9 | 66% | 0.657 | 81% | 0.808 | S | S | * | * | cis | -156 | 157.2 | 36.8 | 60.1 | 0 | 0 | 0 | 0 | 112.5 | A800 | S798-A800 VanDerWaalsContact C-N 3.34Š| ||
| 799 | C | 25.1 | Very low | 25.8 | Very low | 142 Ų | 142 | 130.9 Ų | 130.9 | 96% | 0.959 | 80% | 0.798 | S | S | * | * | trans | -95.4 | 64.4 | 154.4 | -70.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 800 | A | 26.2 | Very low | 25.9 | Very low | 65 Ų | 65 | 129.6 Ų | 129.6 | 54% | 0.537 | 79% | 0.789 | S | S | . | * | trans | -85.9 | 118.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | S798 L802 | S798-A800 VanDerWaalsContact C-N 3.34Å; A800-L802 PolarHBondContact O-N 3.41Å | ||
| 801 | R | 24.3 | Very low | 25.9 | Very low | 237 Ų | 237 | 133 Ų | 133 | 89% | 0.894 | 79% | 0.792 | S | S | * | * | trans | -69.1 | 109.3 | 168.1 | -76.4 | -178.4 | 177.5 | 150.8 | 0.8 | 108.4 | ||||
| 802 | L | 25.9 | Very low | 26 | Very low | 163 Ų | 163 | 133 Ų | 133 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -113.9 | 119.6 | 163.8 | -79.1 | 165.4 | 0 | 0 | 0 | 108.7 | A800 | A800-L802 PolarHBondContact O-N 3.41Š| ||
| 803 | S | 25 | Very low | 26.2 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -71.5 | 146.6 | 177 | -172.8 | 0 | 0 | 0 | 0 | 110.1 | N805 | S803-N805 PolarHBondContact O-N 3.47Š| ||
| 804 | I | 28.2 | Very low | 26.4 | Very low | 149 Ų | 149 | 130.4 Ų | 130.4 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | trans | -64.1 | 131.7 | 169.3 | -59.5 | 165 | 0 | 0 | 0 | 108.7 | ||||
| 805 | N | 28 | Very low | 26.5 | Very low | 162 Ų | 162 | 132.7 Ų | 132.7 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | trans | 174.8 | 129.8 | 143.7 | -87.3 | -14.4 | 0 | 0 | 0 | 109.6 | S803 | S803-N805 PolarHBondContact O-N 3.47Š| ||
| 806 | G | 27.7 | Very low | 26.6 | Very low | 75 Ų | 75 | 133.2 Ų | 133.2 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | 105.7 | 103.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 807 | E | 27.8 | Very low | 26.6 | Very low | 193 Ų | 193 | 132.8 Ų | 132.8 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | trans | 41.6 | 116.4 | 136.1 | -62.6 | 178.4 | 133.3 | 0 | 0 | 123 | ||||
| 808 | M | 24.5 | Very low | 26.8 | Very low | 163 Ų | 163 | 132.9 Ų | 132.9 | 80% | 0.803 | 79% | 0.793 | S | S | * | * | 32 | 111.7 | 119.3 | -106.5 | 176.7 | 145 | 0 | 0 | 119.4 | |||||
| 809 | N | 26.1 | Very low | 26.8 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 70% | 0.695 | 80% | 0.804 | S | S | * | * | 161.9 | 145.4 | 98.9 | -87.7 | -37.7 | 0 | 0 | 0 | 114.5 | |||||
| 810 | S | 26 | Very low | 27.1 | Very low | 98 Ų | 98 | 138.8 Ų | 138.8 | 69% | 0.685 | 80% | 0.8 | S | S | * | * | trans | 51.7 | 117.7 | 145.9 | -51.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 811 | L | 25.6 | Very low | 27.1 | Very low | 172 Ų | 172 | 142.1 Ų | 142.1 | 90% | 0.901 | 81% | 0.813 | S | S | * | * | 173.1 | 117 | 97.8 | -85.9 | 172.4 | 0 | 0 | 0 | 111 | |||||
| 812 | L | 27.7 | Very low | 27.3 | Very low | 154 Ų | 154 | 134.4 Ų | 134.4 | 81% | 0.806 | 81% | 0.808 | S | S | * | * | trans | -100.7 | 160.9 | 160.5 | -74.2 | 168.2 | 0 | 0 | 0 | 108.7 | ||||
| 813 | P | 30.1 | Very low | 27.3 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | -141 | 127.4 | 109.4 | 23.1 | -3.3 | 0 | 0 | 0 | 113.1 | |||||
| 814 | V | 27.4 | Very low | 27.5 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 69% | 0.685 | 81% | 0.806 | S | S | * | * | 86.2 | 103.5 | 72.9 | 165.7 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 815 | T | 28.8 | Very low | 27.5 | Very low | 129 Ų | 129 | 136.7 Ų | 136.7 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | 75.4 | 137.4 | 141.5 | 59.4 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 816 | S | 26.6 | Very low | 27.5 | Very low | 112 Ų | 112 | 136.9 Ų | 136.9 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | 125.2 | 132.4 | 120.9 | -159.8 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 817 | S | 26.5 | Very low | 27.3 | Very low | 116 Ų | 116 | 140.2 Ų | 140.2 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | -57.3 | 151.7 | 175.8 | 44.1 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 818 | G | 29.3 | Very low | 27.3 | Very low | 83 Ų | 83 | 136.8 Ų | 136.8 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | 177.9 | 123.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 819 | E | 25.4 | Very low | 27.4 | Very low | 190 Ų | 190 | 135.3 Ų | 135.3 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | -112.7 | 119.6 | -177.3 | 170.9 | -178.1 | -142 | 0 | 0 | 109.2 | ||||
| 820 | I | 31.6 | Very low | 27.5 | Very low | 170 Ų | 170 | 134.7 Ų | 134.7 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | trans | -143.3 | 132.9 | 168.2 | -60.1 | -175.2 | 0 | 0 | 0 | 110.3 | ||||
| 821 | T | 27 | Very low | 27.5 | Very low | 134 Ų | 134 | 136.7 Ų | 136.7 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -88.7 | 152.4 | 173.5 | 43.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 822 | G | 27.5 | Very low | 27.6 | Very low | 76 Ų | 76 | 135.2 Ų | 135.2 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | trans | 169.9 | 115 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 823 | N | 27 | Very low | 27.4 | Very low | 152 Ų | 152 | 138.7 Ų | 138.7 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | -73.4 | 176.1 | 179.6 | -62.9 | -24.3 | 0 | 0 | 0 | 114.7 | ||||
| 824 | E | 29.4 | Very low | 27.3 | Very low | 176 Ų | 176 | 135.5 Ų | 135.5 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | 90.6 | 152 | 150.7 | -72.2 | 173.3 | -153.5 | 0 | 0 | 121 | ||||
| 825 | I | 28.2 | Very low | 27.1 | Very low | 150 Ų | 150 | 139.9 Ų | 139.9 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | 104.9 | 91.2 | 156.2 | -49.5 | -164.2 | 0 | 0 | 0 | 118.6 | ||||
| 826 | L | 26.7 | Very low | 26.9 | Very low | 165 Ų | 165 | 141 Ų | 141 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | trans | 82 | 125.4 | 133.5 | -122.7 | 68.7 | 0 | 0 | 0 | 123.7 | ||||
| 827 | D | 23.9 | Very low | 26.7 | Very low | 146 Ų | 146 | 141.5 Ų | 141.5 | 78% | 0.781 | 80% | 0.804 | S | S | * | * | trans | -67.9 | 158.4 | 155.8 | -70.2 | -62.4 | 0 | 0 | 0 | 112.8 | ||||
| 828 | T | 27.6 | Very low | 26.7 | Very low | 121 Ų | 121 | 142 Ų | 142 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | 150.2 | 143.8 | 115.9 | -41.7 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 829 | V | 27.5 | Very low | 26.5 | Very low | 131 Ų | 131 | 146.8 Ų | 146.8 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | 64.4 | 154.7 | 162.8 | -91.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 830 | P | 27.8 | Very low | 26.4 | Very low | 118 Ų | 118 | 141.9 Ų | 141.9 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | cis | -132.3 | 175.4 | -20 | 28 | -6.1 | 0 | 0 | 0 | 115.9 | ||||
| 831 | D | 24.8 | Very low | 26 | Very low | 140 Ų | 140 | 140.4 Ų | 140.4 | 75% | 0.749 | 80% | 0.797 | S | S | * | * | trans | -51.8 | 138.4 | 175.7 | -80.2 | -66.6 | 0 | 0 | 0 | 117.2 | ||||
| 832 | V | 28.3 | Very low | 26 | Very low | 140 Ų | 140 | 140.1 Ų | 140.1 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | trans | -142.5 | 102.9 | 146.9 | -176 | 0 | 0 | 0 | 0 | 111.1 | G834 | V832-G834 PolarHBondContact O-N 2.86Å; V832-G834 VanDerWaalsContact O-N 3.09Å | ||
| 833 | Y | 23.9 | Very low | 26.1 | Very low | 228 Ų | 228 | 142.9 Ų | 142.9 | 89% | 0.894 | 80% | 0.803 | S | S | * | * | trans | -69.4 | 99.7 | 169.4 | -99.4 | -102.7 | 0 | 0 | 0 | 111.4 | ||||
| 834 | G | 27.6 | Very low | 26 | Very low | 55 Ų | 55 | 139.3 Ų | 139.3 | 57% | 0.567 | 80% | 0.802 | S | S | * | * | trans | -119.9 | 102.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | V832 L836 | V832-G834 PolarHBondContact O-N 2.86Å; V832-G834 VanDerWaalsContact O-N 3.09Å; G834-L836 PolarHBondContact O-N 2.92Å | ||
| 835 | K | 23.3 | Very low | 25.9 | Very low | 206 Ų | 206 | 134.5 Ų | 134.5 | 90% | 0.896 | 80% | 0.799 | S | S | * | * | trans | -73 | 78.4 | -177.8 | -170.8 | -177.9 | -175.8 | 177.8 | 0 | 112.5 | V837 | K835-V837 PolarHBondContact O-N 2.96Š| ||
| 836 | L | 24 | Very low | 25.8 | Very low | 153 Ų | 153 | 133.5 Ų | 133.5 | 80% | 0.801 | 81% | 0.806 | S | S | * | * | trans | -79.7 | 109.9 | -178.8 | -117.8 | 82.7 | 0 | 0 | 0 | 113.3 | G834 | G834-L836 PolarHBondContact O-N 2.92Š| ||
| 837 | V | 23.1 | Very low | 25.8 | Very low | 122 Ų | 122 | 129.1 Ų | 129.1 | 74% | 0.739 | 79% | 0.793 | S | S | * | * | trans | -76.9 | 120.5 | 164.7 | 175.9 | 0 | 0 | 0 | 0 | 108.7 | K835 | K835-V837 PolarHBondContact O-N 2.96Š| ||
| 838 | T | 26.8 | Very low | 25.9 | Very low | 127 Ų | 127 | 130.1 Ų | 130.1 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | trans | -102.9 | 109.2 | 172.5 | 40.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 839 | Q | 24 | Very low | 25.9 | Very low | 183 Ų | 183 | 127.3 Ų | 127.3 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 149.5 | 175.6 | -83.8 | 171.1 | -49.3 | 0 | 0 | 112 | ||
| 840 | A | 23.5 | Very low | 25.8 | Very low | 87 Ų | 87 | 131.9 Ų | 131.9 | 72% | 0.719 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 135.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111 | T842 | A840-T842 PolarHBondContact O-N 3.11Š|
| 841 | C | 24.2 | Very low | 25.7 | Very low | 139 Ų | 139 | 134.8 Ų | 134.8 | 94% | 0.939 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -64 | 120.4 | 175.8 | -57.6 | 0 | 0 | 0 | 0 | 111 | ||
| 842 | T | 26.7 | Very low | 26 | Very low | 127 Ų | 127 | 136.2 Ų | 136.2 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | trans | -115 | 134.4 | 179.1 | 48.9 | 0 | 0 | 0 | 0 | 113.5 | A840 | A840-T842 PolarHBondContact O-N 3.11Š| ||
| 843 | S | 29.1 | Very low | 25.9 | Very low | 134 Ų | 134 | 138.7 Ų | 138.7 | 94% | 0.937 | 81% | 0.805 | S | S | * | * | trans | 80.7 | 135.2 | 154.6 | -144.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 844 | G | 26.3 | Very low | 26.3 | Very low | 77 Ų | 77 | 131.6 Ų | 131.6 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | 168.2 | 38.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 845 | G | 25.8 | Very low | 26.9 | Very low | 75 Ų | 75 | 134.2 Ų | 134.2 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | 67.4 | 109.8 | 149.9 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 846 | S | 27.2 | Very low | 28.3 | Very low | 129 Ų | 129 | 133.1 Ų | 133.1 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | trans | 73.6 | 145 | 140.7 | -148.2 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 847 | A | 27.2 | Very low | 29.7 | Very low | 73 Ų | 73 | 127.6 Ų | 127.6 | 60% | 0.603 | 75% | 0.754 | S | S | * | * | trans | 73.9 | 101.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 848 | D | 25.7 | Very low | 31.3 | Very low | 168 Ų | 168 | 122.1 Ų | 122.1 | 90% | 0.898 | 72% | 0.721 | S | S | * | * | trans | 38.1 | 93.1 | 142.9 | -57.2 | -25.3 | 0 | 0 | 0 | 119.5 | ||||
| 849 | G | 26.4 | Very low | 32.7 | Very low | 62 Ų | 62 | 116.5 Ų | 116.5 | 64% | 0.639 | 69% | 0.688 | S | S | * | * | trans | -166.8 | 108.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | H851 | G849-H851 VanDerWaalsContact C-N 3.31Å; G849-H851 PolarHBondContact O-N 2.81Å | ||
| 850 | Y | 25.9 | Very low | 34.5 | Very low | 226 Ų | 226 | 108 Ų | 108 | 89% | 0.886 | 65% | 0.649 | S | S | * | * | trans | -70.9 | 81 | 175.1 | -101.8 | -98.6 | 0 | 0 | 0 | 110.9 | H852 | Y850-H852 PolarHBondContact O-N 3.48Å; Y850-H852 VanDerWaalsContact O-N 3.1Å | ||
| 851 | H | 26.3 | Very low | 36.5 | Very low | 180 Ų | 180 | 103.9 Ų | 103.9 | 83% | 0.833 | 62% | 0.615 | S | S | * | * | trans | -72.6 | 100.5 | 166.6 | -84.3 | -77.5 | 0 | 0 | 0 | 109.9 | G849 H853 | G849-H851 VanDerWaalsContact C-N 3.31Å; G849-H851 PolarHBondContact O-N 2.81Å; H851-H853 PolarHBondContact O-N 2.67Å | ||
| 852 | H | 30.1 | Very low | 38.6 | Very low | 170 Ų | 170 | 97.3 Ų | 97.3 | 79% | 0.787 | 57% | 0.571 | S | S | * | * | trans | -59.7 | 120.6 | 170.7 | -90 | -95.1 | 0 | 0 | 0 | 110.4 | Y850 S854 | Y850-H852 PolarHBondContact O-N 3.48Å; Y850-H852 VanDerWaalsContact O-N 3.1Å; H852-S854 VanDerWaalsContact C-N 3.26Å; H852-S854 PolarHBondContact O-N 2.76Å | ||
| 853 | H | 27.3 | Very low | 41.4 | Very low | 192 Ų | 192 | 91.4 Ų | 91.4 | 89% | 0.889 | 54% | 0.535 | S | S | * | . | trans | -63.7 | 91.2 | 160.2 | -97.2 | -68.3 | 0 | 0 | 0 | 108.9 | H851 K855 | H851-H853 PolarHBondContact O-N 2.67Å; H853-K855 PolarHBondContact O-N 3.28Å; H853-K855 VanDerWaalsContact O-N 3.09Å | ||
| 854 | S | 31.2 | Very low | 44.2 | Very low | 79 Ų | 79 | 85.4 Ų | 85.4 | 55% | 0.552 | 49% | 0.492 | S | S | * | . | trans | -57.2 | 111.9 | 172.1 | 177.6 | 0 | 0 | 0 | 0 | 109.4 | H852 Q856 L857 | H852-S854 VanDerWaalsContact C-N 3.26Å; H852-S854 PolarHBondContact O-N 2.76Å; S854-Q856 PolarHBondContact O-N 3.28Å; S854-L857 WeakPolarHBondContact OG-CD1 3.45Å | ||
| 855 | K | 40 | Very low | 47.3 | Very low | 109 Ų | 109 | 81.7 Ų | 81.7 | 47% | 0.474 | 45% | 0.454 | S | S | . | . | trans | -68.8 | 111.5 | 160 | -88.5 | -153.8 | -179.4 | 174.3 | 0 | 106.9 | T178 H853 L857 | T178-K855 VanDerWaalsContact CB-CE 3.49Å; T178-K855 HydrophobicContact CG2-CD 3.66Å; T178-K855 HydrophobicContact CG2-CG 4.05Å; T178-K855 PolarHBondContact O-NZ 2.8Å; H853-K855 PolarHBondContact O-N 3.28Å; H853-K855 VanDerWaalsContact O-N 3.09Å; K855-L857 PolarHBondContact O-N 2.96Å | ||
| 856 | Q | 52.9 | Low | 50.3 | Low | 183 Ų | 183 | 78.8 Ų | 78.8 | 86% | 0.855 | 42% | 0.42 | S | S | * | . | trans | -2.3 | 91.2 | 170.3 | -151.7 | 163.3 | 1.6 | 0 | 0 | 113.2 | S854 | S854-Q856 PolarHBondContact O-N 3.28Š| ||
| 857 | L | 53.4 | Low | 53.1 | Low | 37 Ų | 37 | 76 Ų | 76 | 19% | 0.194 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -54.5 | 148.5 | 175.5 | -75.4 | 148.3 | 0 | 0 | 0 | 109.4 | S854 K855 Y986 R998 W1048 | S854-L857 WeakPolarHBondContact OG-CD1 3.45Å; K855-L857 PolarHBondContact O-N 2.96Å; L857-Y986 HydrophobicContact CD2-CE2 4.22Å; L857-R998 VanDerWaalsContact CB-CZ 3.42Å; L857-R998 VanDerWaalsContact CB-NH1 3.26Å; L857-W1048 HydrophobicContact CD2-CH2 4.29Å; L857-W1048 HydrophobicContact CD2-CZ2 3.92Å |
| 858 | P | 56.6 | Low | 55.8 | Low | 8 Ų | 8 | 74.4 Ų | 74.4 | 5% | 0.052 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -68 | 150.4 | -170.7 | 30.7 | -29.7 | 0 | 0 | 0 | 109.8 | I779 F970 R998 L1041 W1048 | I779-P858 WeakPolarHBondContact CD1-O 3.4Å; P858-F970 HydrophobicContact CB-CE1 3.58Å; P858-F970 HydrophobicContact CB-CZ 3.78Å; P858-R998 PolarHBondContact O-NH1 3.28Å; P858-L1041 HydrophobicContact CB-CD1 4.27Å; P858-L1041 HydrophobicContact CG-CD1 4.03Å; P858-W1048 HydrophobicContact CB-CB 4.18Å; P858-W1048 HydrophobicContact CB-CD2 4.29Å; P858-W1048 HydrophobicContact CB-CG 3.83Å; P858-W1048 VanDerWaalsContact CD-CE2 3.49Å; P858-W1048 HydrophobicContact CG-CB 4.44Å; P858-W1048 HydrophobicContact CG-CD2 3.73Å; P858-W1048 HydrophobicContact CG-CE3 4.11Å; P858-W1048 HydrophobicContact CG-CG 3.82Å |
| 859 | G | 56.5 | Low | 58.5 | Low | 9 Ų | 9 | 70.5 Ų | 70.5 | 9% | 0.093 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 167.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | E968 | G859-E968 VanDerWaalsContact CA-CD 3.49Å; G859-E968 VanDerWaalsContact CA-OE1 3.25Å; G859-E968 WeakPolarHBondContact CA-OE1 3.13Å; G859-E968 VanDerWaalsContact N-CD 3.26Å; G859-E968 PolarHBondContact N-OE1 3.47Å; G859-E968 VanDerWaalsContact N-OE1 3.1Å; G859-E968 PolarHBondContact N-OE2 3.29Å |
| 860 | A | 62.7 | Low | 61 | Low | 4 Ų | 4 | 71.1 Ų | 71.1 | 3% | 0.033 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 151.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I779 G862 S988 P996 | I779-A860 HydrophobicContact CD1-CB 4.03Å; A860-G862 PolarHBondContact O-N 3.1Å; A860-G862 VanDerWaalsContact O-N 3.11Å; A860-S988 WeakPolarHBondContact CA-OG 3.43Å; A860-P996 HydrophobicContact CB-CB 3.3Å |
| 861 | S | 65.2 | Low | 63.1 | Low | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 36% | 0.358 | C | S | . | . | trans | -74.6 | 97 | 164.8 | -167.1 | 0 | 0 | 0 | 0 | 109.9 | V863 G879 S988 | S861-V863 PolarHBondContact O-N 3.37Å; S861-G879 PolarHBondContact OG-O 2.67Å; S861-S988 PolarHBondContact N-OG 3.37Å | ||
| 862 | G | 68.8 | Low | 65.5 | Low | 2 Ų | 2 | 60.4 Ų | 60.4 | 2% | 0.021 | 34% | 0.341 | C | S | . | . | trans | -75.7 | 31.9 | 174 | 0 | 0 | 0 | 0 | 0 | 114.5 | A860 V912 G913 | A860-G862 PolarHBondContact O-N 3.1Å; A860-G862 VanDerWaalsContact O-N 3.11Å; G862-V912 CarbonylContact O-C 3.44Å; G862-V912 WeakPolarHBondContact O-CA 3.46Å; G862-G913 CarbonylContact C-O 3.52Å; G862-G913 WeakPolarHBondContact CA-O 3.46Å; G862-G913 PolarHBondContact O-N 2.75Å | ||
| 863 | V | 85.4 | Confident | 67.8 | Low | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.018 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 111.3 | -175.2 | -177.2 | 0 | 0 | 0 | 0 | 110 | S861 T878 G879 L881 V893 V910 Y911 V912 | S861-V863 PolarHBondContact O-N 3.37Å; V863-T878 WeakPolarHBondContact O-CA 3.13Å; V863-G879 PolarHBondContact O-N 2.91Å; V863-L881 HydrophobicContact CG2-CD1 4.48Å; V863-L881 HydrophobicContact CG2-CG 4.08Å; V863-V893 HydrophobicContact CG1-CG1 3.72Å; V863-V893 HydrophobicContact CG1-CG2 4.13Å; V863-V910 HydrophobicContact CG1-CG1 3.78Å; V863-Y911 WeakPolarHBondContact CA-O 3.47Å; V863-V912 HydrophobicContact CG2-CG1 4.27Å; V863-V912 HydrophobicContact CG2-CG2 4.43Å |
| 864 | H | 87.7 | Confident | 70.4 | Confident | 7 Ų | 7 | 50.1 Ų | 50.1 | 3% | 0.032 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 133.7 | -177.4 | -64 | -72.5 | 0 | 0 | 0 | 111.2 | F866 V910 Y911 L916 V990 | H864-F866 HydrophobicContact CB-CD2 4.38Å; H864-F866 HydrophobicContact CB-CE2 3.7Å; H864-F866 HydrophobicContact CB-CZ 4.39Å; H864-V910 WeakPolarHBondContact O-CA 3.44Å; H864-Y911 PolarHBondContact N-O 3.28Å; H864-Y911 PolarHBondContact O-N 3.3Å; H864-L916 HydrophobicContact CB-CD2 4.1Å; H864-L916 VanDerWaalsContact CD2-CD2 3.47Å; H864-L916 WeakPolarHBondContact CD2-CD2 3.39Å; H864-V990 VanDerWaalsContact CE1-CG2 3.49Å; H864-V990 WeakPolarHBondContact CE1-CG2 3.48Å; H864-V990 VanDerWaalsContact NE2-CG2 3.3Å; H864-V990 WeakPolarHBondContact NE2-CG2 3.33Å |
| 865 | I | 90.2 | Very high | 72.6 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 122.2 | -178.1 | -61.8 | 160.7 | 0 | 0 | 0 | 108.5 | L876 C877 V893 T895 V900 Y908 V910 L955 | I865-L876 PolarHBondContact O-N 3.23Å; I865-C877 PolarHBondContact N-O 2.68Å; I865-C877 PolarHBondContact O-N 3.17Å; I865-V893 HydrophobicContact CD1-CG1 4.36Å; I865-T895 HydrophobicContact CD1-CG2 3.7Å; I865-V900 HydrophobicContact CD1-CG2 4.42Å; I865-V900 HydrophobicContact CG2-CG2 3.87Å; I865-Y908 HydrophobicContact CG2-CD1 4.21Å; I865-V910 HydrophobicContact CG1-CG2 4.28Å; I865-L955 HydrophobicContact CD1-CD1 3.75Å; I865-L955 HydrophobicContact CG1-CD1 3.95Å; I865-L955 HydrophobicContact CG2-CD1 4.29Å |
| 866 | F | 88.7 | Confident | 74.7 | Confident | 14 Ų | 14 | 44.6 Ų | 44.6 | 6% | 0.061 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 149.9 | 179.6 | -68 | -96 | 0 | 0 | 0 | 110.7 | H864 I873 E874 A875 Y908 R909 L916 L929 | H864-F866 HydrophobicContact CB-CD2 4.38Å; H864-F866 HydrophobicContact CB-CE2 3.7Å; H864-F866 HydrophobicContact CB-CZ 4.39Å; F866-I873 HydrophobicContact CB-CG2 4.06Å; F866-I873 HydrophobicContact CD1-CG2 3.57Å; F866-I873 HydrophobicContact CE1-CG2 4.28Å; F866-I873 HydrophobicContact CG-CG2 4.06Å; F866-E874 CarbonylContact C-O 3.51Å; F866-E874 WeakPolarHBondContact CA-O 3.26Å; F866-A875 HydrophobicContact CD1-CB 3.89Å; F866-A875 HydrophobicContact CE1-CB 3.58Å; F866-A875 HydrophobicContact CZ-CB 4.22Å; F866-Y908 WeakPolarHBondContact O-CA 3.23Å; F866-R909 HydrophobicContact CB-CB 4.48Å; F866-R909 PolarHBondContact N-O 3.13Å; F866-R909 PolarHBondContact O-N 3.34Å; F866-L916 HydrophobicContact CE2-CD2 4.44Å; F866-L916 HydrophobicContact CZ-CD2 4.01Å; F866-L929 HydrophobicContact CD2-CD2 3.65Å; F866-L929 HydrophobicContact CE2-CD2 4.13Å; F866-L929 HydrophobicContact CG-CD2 4.24Å |
| 867 | K | 87.3 | Confident | 76.5 | Confident | 70 Ų | 70 | 36 Ų | 36 | 30% | 0.304 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 128.6 | 168.8 | -174.9 | -173.5 | 174.5 | -165.6 | 0 | 108.6 | V869 E874 L876 K907 | K867-V869 HydrophobicContact CD-CG2 4.24Å; K867-V869 HydrophobicContact CG-CG2 4.06Å; K867-E874 PolarHBondContact N-O 2.97Å; K867-E874 PolarHBondContact O-N 3.05Å; K867-L876 HydrophobicContact CB-CD1 3.7Å; K867-L876 HydrophobicContact CB-CD2 4.15Å; K867-L876 HydrophobicContact CB-CG 3.79Å; K867-L876 HydrophobicContact CD-CD1 4.24Å; K867-L876 HydrophobicContact CD-CD2 4.32Å; K867-L876 HydrophobicContact CG-CD1 4.45Å; K867-K907 WeakPolarHBondContact CA-O 3.25Å |
| 868 | V | 84.3 | Confident | 78.2 | Confident | 39 Ų | 39 | 34.3 Ų | 34.3 | 24% | 0.236 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 126.6 | 177.7 | -174.7 | 0 | 0 | 0 | 0 | 108.5 | S872 I873 K907 R909 | V868-S872 WeakPolarHBondContact CA-O 3.49Å; V868-I873 HydrophobicContact CG2-CG1 4.42Å; V868-K907 PolarHBondContact N-O 2.91Å; V868-R909 HydrophobicContact CG2-CB 4.23Å; V868-R909 HydrophobicContact CG2-CG 3.6Å |
| 869 | V | 81.6 | Confident | 79.7 | Confident | 86 Ų | 86 | 33.9 Ų | 33.9 | 52% | 0.521 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 100 | 178.1 | -174.3 | 0 | 0 | 0 | 0 | 108.2 | K867 S871 S872 | K867-V869 HydrophobicContact CD-CG2 4.24Å; K867-V869 HydrophobicContact CG-CG2 4.06Å; V869-S871 PolarHBondContact O-N 3.25Å; V869-S872 PolarHBondContact N-O 3.41Å; V869-S872 WeakPolarHBondContact O-CB 3.49Å; V869-S872 PolarHBondContact O-N 3.12Å |
| 870 | G | 77.9 | Confident | 81.3 | Confident | 75 Ų | 75 | 33.5 Ų | 33.5 | 77% | 0.773 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | -124.8 | -170 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 871 | S | 71.7 | Confident | 82.6 | Confident | 112 Ų | 112 | 33.3 Ų | 33.3 | 78% | 0.783 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85 | -4.7 | 173.7 | 50.9 | 0 | 0 | 0 | 0 | 114.3 | V869 | V869-S871 PolarHBondContact O-N 3.25Š|
| 872 | S | 76.8 | Confident | 83.7 | Confident | 70 Ų | 70 | 34.6 Ų | 34.6 | 49% | 0.49 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 136.3 | -179.6 | -171.8 | 0 | 0 | 0 | 0 | 112 | V868 V869 | V868-S872 WeakPolarHBondContact CA-O 3.49Å; V869-S872 PolarHBondContact N-O 3.41Å; V869-S872 WeakPolarHBondContact O-CB 3.49Å; V869-S872 PolarHBondContact O-N 3.12Å |
| 873 | I | 76.7 | Confident | 84.4 | Confident | 41 Ų | 41 | 36 Ų | 36 | 21% | 0.21 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 105.5 | 177.9 | -58.2 | -178.9 | 0 | 0 | 0 | 108.1 | F866 V868 V922 L925 L929 | F866-I873 HydrophobicContact CB-CG2 4.06Å; F866-I873 HydrophobicContact CD1-CG2 3.57Å; F866-I873 HydrophobicContact CE1-CG2 4.28Å; F866-I873 HydrophobicContact CG-CG2 4.06Å; V868-I873 HydrophobicContact CG2-CG1 4.42Å; I873-V922 HydrophobicContact CD1-CG1 3.82Å; I873-V922 HydrophobicContact CG1-CG1 4.25Å; I873-L925 HydrophobicContact CD1-CD2 4.38Å; I873-L925 HydrophobicContact CG2-CD2 4.11Å; I873-L929 HydrophobicContact CD1-CD1 4.09Å; I873-L929 HydrophobicContact CG2-CD1 4Å |
| 874 | E | 82.3 | Confident | 83.9 | Confident | 104 Ų | 104 | 39.3 Ų | 39.3 | 49% | 0.486 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 126.6 | -177.1 | -175.3 | -175.8 | -164.9 | 0 | 0 | 110.6 | F866 K867 L876 | F866-E874 CarbonylContact C-O 3.51Å; F866-E874 WeakPolarHBondContact CA-O 3.26Å; K867-E874 PolarHBondContact N-O 2.97Å; K867-E874 PolarHBondContact O-N 3.05Å; E874-L876 HydrophobicContact CG-CD2 4.27Å; E874-L876 PolarHBondContact O-N 3.47Å |
| 875 | A | 78.2 | Confident | 83 | Confident | 27 Ų | 27 | 45.8 Ų | 45.8 | 22% | 0.223 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 115.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | F866 H1034 | F866-A875 HydrophobicContact CD1-CB 3.89Å; F866-A875 HydrophobicContact CE1-CB 3.58Å; F866-A875 HydrophobicContact CZ-CB 4.22Å; A875-H1034 PolarHBondContact O-CE1 2.92Å; A875-H1034 PolarHBondContact O-NE2 3.22Å |
| 876 | L | 84.5 | Confident | 82 | Confident | 46 Ų | 46 | 49.9 Ų | 49.9 | 24% | 0.241 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | -49.6 | -177.3 | -68.1 | -173.4 | 0 | 0 | 0 | 113.3 | I865 K867 E874 Y908 | I865-L876 PolarHBondContact O-N 3.23Å; K867-L876 HydrophobicContact CB-CD1 3.7Å; K867-L876 HydrophobicContact CB-CD2 4.15Å; K867-L876 HydrophobicContact CB-CG 3.79Å; K867-L876 HydrophobicContact CD-CD1 4.24Å; K867-L876 HydrophobicContact CD-CD2 4.32Å; K867-L876 HydrophobicContact CG-CD1 4.45Å; E874-L876 HydrophobicContact CG-CD2 4.27Å; E874-L876 PolarHBondContact O-N 3.47Å; L876-Y908 HydrophobicContact CD1-CD1 4.39Å; L876-Y908 HydrophobicContact CD1-CE1 3.78Å |
| 877 | C | 89.5 | Confident | 81.4 | Confident | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.02 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.2 | 172.9 | -165.8 | 73.3 | 0 | 0 | 0 | 0 | 112.7 | I865 C899 I1036 | I865-C877 PolarHBondContact N-O 2.68Å; I865-C877 PolarHBondContact O-N 3.17Å; C877-C899 HydrophobicContact CB-CB 3.57Å; C877-C899 WeakPolarHBondContact CB-SG 3.49Å; C877-C899 WeakPolarHBondContact SG-CB 3.4Å; C877-C899 CovalentContact SG-SG 2.01Å; C877-C899 PolarHBondContact SG-SG 3.42Å; C877-I1036 HydrophobicContact CB-CB 4.36Å; C877-I1036 VanDerWaalsContact CB-O 3.3Å; C877-I1036 WeakPolarHBondContact CB-O 3.25Å |
| 878 | T | 88.8 | Confident | 80.8 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 160.6 | 176.3 | -54.7 | 0 | 0 | 0 | 0 | 109.7 | V863 T895 H1034 I1036 G1037 S1038 | V863-T878 WeakPolarHBondContact O-CA 3.13Å; T878-T895 PolarHBondContact O-OG1 2.9Å; T878-H1034 PolarHBondContact N-O 2.87Å; T878-H1034 PolarHBondContact OG1-O 2.79Å; T878-I1036 PolarHBondContact N-O 2.9Å; T878-G1037 CarbonylContact O-C 3.09Å; T878-G1037 VanDerWaalsContact O-CA 3.25Å; T878-G1037 WeakPolarHBondContact O-CA 3.3Å; T878-S1038 WeakPolarHBondContact CB-OG 3.48Å |
| 879 | G | 89.2 | Confident | 80.6 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 34% | 0.339 | C | S | . | . | trans | -139.7 | -164.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | S861 V863 V894 | S861-G879 PolarHBondContact OG-O 2.67Å; V863-G879 PolarHBondContact O-N 2.91Å; G879-V894 CarbonylContact C-O 3.6Å; G879-V894 WeakPolarHBondContact CA-O 3.21Å | ||
| 880 | T | 90.2 | Very high | 80.9 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 139.6 | 169.4 | -46.3 | 0 | 0 | 0 | 0 | 109 | Y882 V893 V894 F970 P1039 | T880-Y882 PolarHBondContact O-N 2.58Å; T880-V893 WeakPolarHBondContact O-CA 3.31Å; T880-V894 PolarHBondContact N-O 3.37Å; T880-V894 PolarHBondContact O-N 3.16Å; T880-F970 HydrophobicContact CG2-CD2 4.06Å; T880-P1039 WeakPolarHBondContact OG1-CB 3.47Å; T880-P1039 WeakPolarHBondContact OG1-CD 3.14Å; T880-P1039 WeakPolarHBondContact OG1-CG 3.3Å |
| 881 | L | 88.6 | Confident | 81.4 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 126.9 | 170.3 | -81.3 | 167.5 | 0 | 0 | 0 | 109.4 | V863 V893 V912 L957 V961 I963 V967 S969 | V863-L881 HydrophobicContact CG2-CD1 4.48Å; V863-L881 HydrophobicContact CG2-CG 4.08Å; L881-V893 HydrophobicContact CD2-CG2 3.68Å; L881-V893 HydrophobicContact CG-CG2 4.34Å; L881-V912 HydrophobicContact CD1-CG1 3.87Å; L881-L957 HydrophobicContact CD2-CD1 4.46Å; L881-V961 HydrophobicContact CD1-CB 4.18Å; L881-V961 HydrophobicContact CD1-CG1 4.2Å; L881-I963 HydrophobicContact CB-CD1 4.31Å; L881-I963 HydrophobicContact CD1-CD1 3.95Å; L881-V967 HydrophobicContact CD1-CG1 3.63Å; L881-S969 VanDerWaalsContact O-CB 3.28Å; L881-S969 WeakPolarHBondContact O-CB 3.47Å; L881-S969 PolarHBondContact O-OG 3.39Å |
| 882 | Y | 88.7 | Confident | 82.3 | Confident | 27 Ų | 27 | 45 Ų | 45 | 11% | 0.106 | 25% | 0.247 | C | C | . | . | trans | -96.8 | 119.6 | 172.3 | 171.8 | -98.4 | 0 | 0 | 0 | 109.6 | T880 K884 S890 E892 V894 L972 V1088 | T880-Y882 PolarHBondContact O-N 2.58Å; Y882-K884 HydrophobicContact CE1-CG 3.87Å; Y882-S890 WeakPolarHBondContact O-CB 3.46Å; Y882-S890 PolarHBondContact O-OG 2.88Å; Y882-E892 HydrophobicContact CD1-CB 4.46Å; Y882-E892 WeakPolarHBondContact CD1-OE2 3.28Å; Y882-E892 PolarHBondContact N-O 3.28Å; Y882-V894 HydrophobicContact CG-CG2 4.28Å; Y882-L972 HydrophobicContact CD2-CD1 3.89Å; Y882-L972 HydrophobicContact CD2-CG 3.93Å; Y882-L972 HydrophobicContact CE2-CD1 3.65Å; Y882-L972 HydrophobicContact CE2-CG 3.79Å; Y882-V1088 HydrophobicContact CD1-CB 4.31Å; Y882-V1088 HydrophobicContact CD1-CG1 3.79Å; Y882-V1088 HydrophobicContact CD1-CG2 4.23Å; Y882-V1088 HydrophobicContact CD2-CG2 4.1Å; Y882-V1088 HydrophobicContact CE1-CB 4.1Å; Y882-V1088 HydrophobicContact CE1-CG1 3.81Å; Y882-V1088 HydrophobicContact CE1-CG2 4.35Å; Y882-V1088 HydrophobicContact CE2-CG2 4.23Å; Y882-V1088 HydrophobicContact CG-CG1 4.42Å; Y882-V1088 HydrophobicContact CG-CG2 4.08Å | ||
| 883 | V | 83.4 | Confident | 83 | Confident | 30 Ų | 30 | 41.7 Ų | 41.7 | 18% | 0.182 | 22% | 0.224 | C | C | . | . | trans | -112.6 | 121.3 | -176.1 | 179.3 | 0 | 0 | 0 | 0 | 109.4 | Q887 I963 S969 | V883-Q887 HydrophobicContact CG1-CB 4.2Å; V883-Q887 WeakPolarHBondContact CG1-O 3.41Å; V883-I963 HydrophobicContact CG2-CD1 3.41Å; V883-I963 VanDerWaalsContact CG2-CD1 3.41Å; V883-I963 HydrophobicContact CG2-CG1 3.51Å; V883-S969 VanDerWaalsContact CG2-OG 3.23Å; V883-S969 WeakPolarHBondContact CG2-OG 3.27Å; V883-S969 PolarHBondContact N-OG 3.2Å | ||
| 884 | K | 76.3 | Confident | 83.7 | Confident | 73 Ų | 73 | 39.8 Ų | 39.8 | 32% | 0.317 | 21% | 0.214 | S | C | . | . | trans | -64.9 | 143.3 | 175.9 | -69.1 | 165.9 | -177.8 | 140 | 0 | 109.9 | Y882 G886 Q887 E892 | Y882-K884 HydrophobicContact CE1-CG 3.87Å; K884-G886 PolarHBondContact O-N 2.97Å; K884-Q887 HydrophobicContact CB-CG 4.36Å; K884-Q887 WeakPolarHBondContact O-CB 3.49Å; K884-Q887 PolarHBondContact O-N 2.88Å; K884-E892 WeakPolarHBondContact CE-OE2 3.41Å; K884-E892 IonicContact NZ-OE1 3.41Å; K884-E892 PolarHBondContact NZ-OE1 2.93Å; K884-E892 IonicContact NZ-OE2 3.99Å; K884-E892 PolarHBondContact NZ-OE2 3.32Å | ||
| 885 | R | 68.2 | Low | 84.1 | Confident | 143 Ų | 143 | 34.9 Ų | 34.9 | 54% | 0.54 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 123 | -173.6 | -63.1 | 178.2 | -176.5 | -133.5 | -9.4 | 111.4 | Y974 D1085 | R885-Y974 PolarHBondContact NH1-OH 2.88Å; R885-Y974 VanDerWaalsContact NH2-CZ 3.35Å; R885-Y974 PolarHBondContact NH2-OH 3.29Å; R885-D1085 IonicContact CZ-OD2 3.47Å; R885-D1085 IonicContact NE-OD2 3.41Å; R885-D1085 IonicContact NH2-OD2 2.97Å; R885-D1085 PolarHBondContact NH2-OD2 2.89Å |
| 886 | G | 69.2 | Low | 84.7 | Confident | 87 Ų | 87 | 33.6 Ų | 33.6 | 90% | 0.897 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.6 | 0.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | K884 | K884-G886 PolarHBondContact O-N 2.97Š|
| 887 | Q | 76 | Confident | 84.7 | Confident | 101 Ų | 101 | 32 Ų | 32 | 47% | 0.472 | 17% | 0.173 | S | C | . | . | trans | -93.3 | 149.2 | 170.6 | -60.3 | -170.3 | -31.9 | 0 | 0 | 110.8 | V883 K884 | V883-Q887 HydrophobicContact CG1-CB 4.2Å; V883-Q887 WeakPolarHBondContact CG1-O 3.41Å; K884-Q887 HydrophobicContact CB-CG 4.36Å; K884-Q887 WeakPolarHBondContact O-CB 3.49Å; K884-Q887 PolarHBondContact O-N 2.88Å | ||
| 888 | T | 74.2 | Confident | 84.5 | Confident | 93 Ų | 93 | 35.3 Ų | 35.3 | 57% | 0.571 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -108.3 | -1.6 | 175.3 | 46.8 | 0 | 0 | 0 | 0 | 112.9 | I963 | T888-I963 PolarHBondContact O-N 3.15Š|
| 889 | Y | 80.7 | Confident | 84.4 | Confident | 72 Ų | 72 | 36 Ų | 36 | 28% | 0.282 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 152.2 | 177.8 | -67.7 | -105 | 0 | 0 | 0 | 109.3 | R960 V961 K962 | Y889-R960 HydrophobicContact CD1-CB 4.46Å; Y889-V961 CarbonylContact C-O 3.37Å; Y889-V961 VanDerWaalsContact CA-O 3.23Å; Y889-V961 WeakPolarHBondContact CA-O 3.39Å; Y889-K962 HydrophobicContact CD1-CB 3.87Å; Y889-K962 HydrophobicContact CD1-CG 4.38Å; Y889-K962 HydrophobicContact CE1-CB 3.66Å; Y889-K962 HydrophobicContact CE1-CD 4.33Å; Y889-K962 HydrophobicContact CE1-CG 3.98Å; Y889-K962 HydrophobicContact CE2-CG 4.32Å |
| 890 | S | 87.5 | Confident | 84.3 | Confident | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 144 | 171.4 | 179.9 | 0 | 0 | 0 | 0 | 112.5 | Y882 E892 R960 V961 | Y882-S890 WeakPolarHBondContact O-CB 3.46Å; Y882-S890 PolarHBondContact O-OG 2.88Å; S890-E892 PolarHBondContact OG-N 3.15Å; S890-E892 PolarHBondContact OG-O 3.21Å; S890-R960 WeakPolarHBondContact O-CA 3.16Å; S890-V961 PolarHBondContact N-O 3.45Å; S890-V961 PolarHBondContact O-N 2.8Å |
| 891 | D | 89.2 | Confident | 83.5 | Confident | 20 Ų | 20 | 38.6 Ų | 38.6 | 11% | 0.107 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 11 | 166 | 54.1 | -20.5 | 0 | 0 | 0 | 112.2 | K956 L957 R960 | D891-K956 CarbonylContact O-C 3.46Å; D891-K956 VanDerWaalsContact O-CA 3.28Å; D891-K956 WeakPolarHBondContact O-CA 3.3Å; D891-K956 WeakPolarHBondContact OD2-CE 3.24Å; D891-K956 IonicContact OD2-NZ 3.74Å; D891-L957 PolarHBondContact O-N 3.15Å; D891-R960 HydrophobicContact CB-CG 3.87Å |
| 892 | E | 90.5 | Very high | 82.6 | Confident | 5 Ų | 5 | 42 Ų | 42 | 2% | 0.023 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 118 | -170.9 | -69.4 | 173.3 | 168.4 | 0 | 0 | 112.1 | Y882 K884 S890 V954 L955 Q1092 | Y882-E892 HydrophobicContact CD1-CB 4.46Å; Y882-E892 WeakPolarHBondContact CD1-OE2 3.28Å; Y882-E892 PolarHBondContact N-O 3.28Å; K884-E892 WeakPolarHBondContact CE-OE2 3.41Å; K884-E892 IonicContact NZ-OE1 3.41Å; K884-E892 PolarHBondContact NZ-OE1 2.93Å; K884-E892 IonicContact NZ-OE2 3.99Å; K884-E892 PolarHBondContact NZ-OE2 3.32Å; S890-E892 PolarHBondContact OG-N 3.15Å; S890-E892 PolarHBondContact OG-O 3.21Å; E892-V954 HydrophobicContact CB-CG1 4.37Å; E892-L955 WeakPolarHBondContact CA-O 3.19Å; E892-Q1092 VanDerWaalsContact CD-NE2 3.33Å; E892-Q1092 PolarHBondContact OE1-NE2 3.12Å |
| 893 | V | 91.5 | Very high | 81.6 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 129.8 | 176.2 | 172.2 | 0 | 0 | 0 | 0 | 110.2 | V863 I865 T880 L881 V910 V954 L955 L957 | V863-V893 HydrophobicContact CG1-CG1 3.72Å; V863-V893 HydrophobicContact CG1-CG2 4.13Å; I865-V893 HydrophobicContact CD1-CG1 4.36Å; T880-V893 WeakPolarHBondContact O-CA 3.31Å; L881-V893 HydrophobicContact CD2-CG2 3.68Å; L881-V893 HydrophobicContact CG-CG2 4.34Å; V893-V910 HydrophobicContact CG2-CG1 4.3Å; V893-V954 CarbonylContact O-C 3.44Å; V893-V954 WeakPolarHBondContact O-CA 3.05Å; V893-L955 HydrophobicContact CB-CB 4.26Å; V893-L955 HydrophobicContact CG1-CD1 4.39Å; V893-L955 PolarHBondContact N-O 3.17Å; V893-L955 PolarHBondContact O-N 3Å; V893-L957 HydrophobicContact CG2-CD1 3.98Å; V893-L957 HydrophobicContact CG2-CD2 4.3Å; V893-L957 HydrophobicContact CG2-CG 4.23Å |
| 894 | V | 90.6 | Very high | 81.2 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 127.9 | -176.4 | 162.8 | 0 | 0 | 0 | 0 | 109.3 | G879 T880 Y882 L952 I1053 L1083 V1088 | G879-V894 CarbonylContact C-O 3.6Å; G879-V894 WeakPolarHBondContact CA-O 3.21Å; T880-V894 PolarHBondContact N-O 3.37Å; T880-V894 PolarHBondContact O-N 3.16Å; Y882-V894 HydrophobicContact CG-CG2 4.28Å; V894-L952 HydrophobicContact CB-CD1 4.49Å; V894-L952 HydrophobicContact CG1-CD1 3.64Å; V894-I1053 HydrophobicContact CG1-CD1 3.66Å; V894-L1083 HydrophobicContact CG1-CD1 4.35Å; V894-V1088 HydrophobicContact CG2-CG2 3.73Å |
| 895 | T | 91.9 | Very high | 81.3 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 176.2 | 180 | -166.8 | 0 | 0 | 0 | 0 | 112 | I865 T878 V900 L952 T953 L955 G1037 | I865-T895 HydrophobicContact CD1-CG2 3.7Å; T878-T895 PolarHBondContact O-OG1 2.9Å; T895-V900 HydrophobicContact CG2-CB 4.34Å; T895-V900 HydrophobicContact CG2-CG2 4.1Å; T895-L952 WeakPolarHBondContact O-CD1 3.33Å; T895-T953 HydrophobicContact CG2-CG2 4.43Å; T895-T953 PolarHBondContact N-O 2.95Å; T895-T953 PolarHBondContact O-N 2.73Å; T895-T953 VanDerWaalsContact O-O 3.13Å; T895-L955 HydrophobicContact CG2-CG 4.5Å; T895-G1037 WeakPolarHBondContact OG1-CA 3.48Å |
| 896 | A | 89.5 | Confident | 82 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 137.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R898 C899 V900 I1036 I1053 M1081 | A896-R898 HydrophobicContact CB-CB 4.46Å; A896-R898 PolarHBondContact O-N 3.26Å; A896-R898 VanDerWaalsContact O-N 3.14Å; A896-C899 PolarHBondContact O-N 3.37Å; A896-V900 PolarHBondContact O-N 2.9Å; A896-I1036 HydrophobicContact CB-CG2 4.01Å; A896-I1053 HydrophobicContact CB-CG2 3.96Å; A896-M1081 HydrophobicContact CB-CE 3.63Å |
| 897 | S | 85.9 | Confident | 82.9 | Confident | 13 Ų | 13 | 41.2 Ų | 41.2 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -15.1 | 172.3 | -56.2 | 0 | 0 | 0 | 0 | 114.2 | C899 V900 G951 L952 T953 | S897-C899 VanDerWaalsContact C-N 3.34Å; S897-V900 CarbonylContact O-C 3.53Å; S897-G951 WeakPolarHBondContact CB-O 3.42Å; S897-G951 PolarHBondContact N-O 3.06Å; S897-G951 WeakPolarHBondContact OG-CA 3.37Å; S897-G951 PolarHBondContact OG-O 3.34Å; S897-L952 PolarHBondContact OG-N 3.41Å; S897-L952 PolarHBondContact OG-O 2.85Å; S897-L952 VanDerWaalsContact OG-O 3.11Å; S897-T953 WeakPolarHBondContact CA-OG1 3.49Å; S897-T953 WeakPolarHBondContact CB-OG1 3.37Å; S897-T953 PolarHBondContact OG-N 3.43Å; S897-T953 PolarHBondContact OG-OG1 3.02Å |
| 898 | R | 85.2 | Confident | 83.6 | Confident | 72 Ų | 72 | 37.1 Ų | 37.1 | 27% | 0.272 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -34.9 | 167.7 | -176.6 | 176.8 | -53 | -63.8 | -7 | 112.7 | A896 T949 D1055 | A896-R898 HydrophobicContact CB-CB 4.46Å; A896-R898 PolarHBondContact O-N 3.26Å; A896-R898 VanDerWaalsContact O-N 3.14Å; R898-T949 PolarHBondContact N-O 3.34Å; R898-T949 PolarHBondContact NH1-OG1 3.13Å; R898-T949 PolarHBondContact NH2-OG1 3.23Å; R898-D1055 WeakPolarHBondContact CD-O 3.09Å; R898-D1055 IonicContact CZ-OD1 3.98Å; R898-D1055 IonicContact CZ-OD2 3.42Å; R898-D1055 IonicContact NE-OD1 3.5Å; R898-D1055 PolarHBondContact NE-OD1 2.85Å; R898-D1055 IonicContact NE-OD2 2.79Å; R898-D1055 PolarHBondContact NE-OD2 2.04Å; R898-D1055 IonicContact NH2-OD1 2.82Å; R898-D1055 PolarHBondContact NH2-OD1 3.1Å; R898-D1055 VanDerWaalsContact NH2-OD1 3.16Å; R898-D1055 IonicContact NH2-OD2 3.3Å; R898-D1055 PolarHBondContact NH2-OD2 3.48Å |
| 899 | C | 86.4 | Confident | 84.3 | Confident | 15 Ų | 15 | 34.9 Ų | 34.9 | 10% | 0.101 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -55.8 | 176.5 | 172 | 0 | 0 | 0 | 0 | 111.3 | C877 A896 S897 P901 I1036 | C877-C899 HydrophobicContact CB-CB 3.57Å; C877-C899 WeakPolarHBondContact CB-SG 3.49Å; C877-C899 WeakPolarHBondContact SG-CB 3.4Å; C877-C899 CovalentContact SG-SG 2.01Å; C877-C899 PolarHBondContact SG-SG 3.42Å; A896-C899 PolarHBondContact O-N 3.37Å; S897-C899 VanDerWaalsContact C-N 3.34Å; C899-P901 VanDerWaalsContact O-CD 3.28Å; C899-P901 WeakPolarHBondContact O-CD 3.32Å; C899-I1036 HydrophobicContact CB-CG2 3.99Å |
| 900 | V | 86.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -113.9 | 94.8 | -178.1 | -170 | 0 | 0 | 0 | 0 | 109.3 | I865 T895 A896 S897 Y908 I935 T953 L955 | I865-V900 HydrophobicContact CD1-CG2 4.42Å; I865-V900 HydrophobicContact CG2-CG2 3.87Å; T895-V900 HydrophobicContact CG2-CB 4.34Å; T895-V900 HydrophobicContact CG2-CG2 4.1Å; A896-V900 PolarHBondContact O-N 2.9Å; S897-V900 CarbonylContact O-C 3.53Å; V900-Y908 HydrophobicContact CB-CE1 4.43Å; V900-Y908 HydrophobicContact CG1-CD1 4.15Å; V900-Y908 HydrophobicContact CG1-CD2 4.25Å; V900-Y908 HydrophobicContact CG1-CE1 3.93Å; V900-Y908 HydrophobicContact CG1-CE2 4.04Å; V900-Y908 HydrophobicContact CG1-CG 4.29Å; V900-Y908 HydrophobicContact CG2-CD1 4.14Å; V900-Y908 HydrophobicContact CG2-CE1 4.03Å; V900-I935 HydrophobicContact CG1-CD1 3.72Å; V900-I935 HydrophobicContact CG1-CG2 4.17Å; V900-T953 HydrophobicContact CB-CG2 4.11Å; V900-T953 HydrophobicContact CG1-CG2 4.29Å; V900-T953 WeakPolarHBondContact O-CG2 3.47Å; V900-T953 PolarHBondContact O-OG1 3.14Å; V900-L955 HydrophobicContact CB-CD2 4.08Å; V900-L955 HydrophobicContact CG1-CD2 3.65Å; V900-L955 HydrophobicContact CG2-CD1 4.44Å; V900-L955 HydrophobicContact CG2-CD2 4.27Å |
| 901 | P | 74.6 | Confident | 84.7 | Confident | 55 Ų | 55 | 32.1 Ų | 32.1 | 36% | 0.357 | 18% | 0.179 | S | C | . | . | trans | -67 | 169.3 | 168.4 | 29.1 | -34.6 | 0 | 0 | 0 | 111.1 | C899 T903 | C899-P901 VanDerWaalsContact O-CD 3.28Å; C899-P901 WeakPolarHBondContact O-CD 3.32Å; P901-T903 HydrophobicContact CB-CG2 4.17Å; P901-T903 HydrophobicContact CG-CG2 3.82Å; P901-T903 PolarHBondContact O-N 3.43Å; P901-T903 PolarHBondContact O-OG1 2.99Å | ||
| 902 | S | 68.6 | Low | 84.2 | Confident | 71 Ų | 71 | 31.2 Ų | 31.2 | 50% | 0.497 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -73.4 | 75.7 | 173.1 | -151.4 | 0 | 0 | 0 | 0 | 109.9 | E1095 | S902-E1095 PolarHBondContact OG-OE1 3.5Š|
| 903 | T | 68.2 | Low | 83.1 | Confident | 69 Ų | 69 | 31.1 Ų | 31.1 | 42% | 0.423 | 17% | 0.174 | S | C | . | . | trans | -124.9 | 178.2 | 178.9 | 56 | 0 | 0 | 0 | 0 | 110.1 | P901 A905 Y908 | P901-T903 HydrophobicContact CB-CG2 4.17Å; P901-T903 HydrophobicContact CG-CG2 3.82Å; P901-T903 PolarHBondContact O-N 3.43Å; P901-T903 PolarHBondContact O-OG1 2.99Å; T903-A905 PolarHBondContact O-N 3.03Å; T903-Y908 WeakPolarHBondContact OG1-CE2 3.39Å; T903-Y908 PolarHBondContact OG1-OH 3.16Å | ||
| 904 | A | 74.2 | Confident | 81.5 | Confident | 48 Ų | 48 | 31.9 Ų | 31.9 | 40% | 0.397 | 18% | 0.18 | S | C | . | . | trans | -59.3 | 119.4 | -169.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D906 K907 | A904-D906 VanDerWaalsContact C-N 3.28Å; A904-D906 WeakPolarHBondContact CB-OD1 3.43Å; A904-D906 PolarHBondContact O-N 3.45Å; A904-K907 HydrophobicContact CB-CD 4.5Å; A904-K907 PolarHBondContact O-N 2.96Å | ||
| 905 | A | 79.7 | Confident | 80 | Confident | 22 Ų | 22 | 36 Ų | 36 | 18% | 0.182 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -67 | -26.8 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | T903 K907 Y908 V932 I935 | T903-A905 PolarHBondContact O-N 3.03Å; A905-K907 PolarHBondContact O-N 2.67Å; A905-Y908 PolarHBondContact O-N 3.38Å; A905-Y908 VanDerWaalsContact O-N 3.1Å; A905-V932 HydrophobicContact CB-CG1 4.19Å; A905-I935 HydrophobicContact CB-CD1 4.01Å; A905-I935 HydrophobicContact CB-CG1 3.94Å |
| 906 | D | 82.8 | Confident | 78.6 | Confident | 102 Ų | 102 | 37.3 Ų | 37.3 | 55% | 0.545 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -57 | -23.4 | 173.8 | 63.9 | -53.8 | 0 | 0 | 0 | 113.6 | A904 Y908 R909 | A904-D906 VanDerWaalsContact C-N 3.28Å; A904-D906 WeakPolarHBondContact CB-OD1 3.43Å; A904-D906 PolarHBondContact O-N 3.45Å; D906-Y908 VanDerWaalsContact C-N 3.34Å; D906-R909 PolarHBondContact O-NH1 3.05Å |
| 907 | K | 86.8 | Confident | 77 | Confident | 104 Ų | 104 | 39.4 Ų | 39.4 | 45% | 0.452 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -81.9 | -11.3 | 178.6 | -60.7 | -176.8 | -178.9 | -178.8 | 0 | 113.9 | K867 V868 A904 A905 | K867-K907 WeakPolarHBondContact CA-O 3.25Å; V868-K907 PolarHBondContact N-O 2.91Å; A904-K907 HydrophobicContact CB-CD 4.5Å; A904-K907 PolarHBondContact O-N 2.96Å; A905-K907 PolarHBondContact O-N 2.67Å |
| 908 | Y | 90.2 | Very high | 75.5 | Confident | 15 Ų | 15 | 45.4 Ų | 45.4 | 6% | 0.059 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 143.2 | -174.7 | -64 | -84.6 | 0 | 0 | 0 | 111.6 | I865 F866 L876 V900 T903 A905 D906 I935 | I865-Y908 HydrophobicContact CG2-CD1 4.21Å; F866-Y908 WeakPolarHBondContact O-CA 3.23Å; L876-Y908 HydrophobicContact CD1-CD1 4.39Å; L876-Y908 HydrophobicContact CD1-CE1 3.78Å; V900-Y908 HydrophobicContact CB-CE1 4.43Å; V900-Y908 HydrophobicContact CG1-CD1 4.15Å; V900-Y908 HydrophobicContact CG1-CD2 4.25Å; V900-Y908 HydrophobicContact CG1-CE1 3.93Å; V900-Y908 HydrophobicContact CG1-CE2 4.04Å; V900-Y908 HydrophobicContact CG1-CG 4.29Å; V900-Y908 HydrophobicContact CG2-CD1 4.14Å; V900-Y908 HydrophobicContact CG2-CE1 4.03Å; T903-Y908 WeakPolarHBondContact OG1-CE2 3.39Å; T903-Y908 PolarHBondContact OG1-OH 3.16Å; A905-Y908 PolarHBondContact O-N 3.38Å; A905-Y908 VanDerWaalsContact O-N 3.1Å; D906-Y908 VanDerWaalsContact C-N 3.34Å; Y908-I935 HydrophobicContact CD2-CD1 3.61Å; Y908-I935 HydrophobicContact CE2-CD1 4.04Å; Y908-I935 HydrophobicContact CG-CD1 4.33Å |
| 909 | R | 89.4 | Confident | 74 | Confident | 45 Ų | 45 | 50.4 Ų | 50.4 | 17% | 0.17 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 149.7 | 174.9 | -70.9 | -59.5 | 176.9 | -69.8 | -0.9 | 109.6 | F866 V868 D906 L929 I930 E931 | F866-R909 HydrophobicContact CB-CB 4.48Å; F866-R909 PolarHBondContact N-O 3.13Å; F866-R909 PolarHBondContact O-N 3.34Å; V868-R909 HydrophobicContact CG2-CB 4.23Å; V868-R909 HydrophobicContact CG2-CG 3.6Å; D906-R909 PolarHBondContact O-NH1 3.05Å; R909-L929 HydrophobicContact CB-CB 3.98Å; R909-L929 HydrophobicContact CB-CD1 4.02Å; R909-L929 HydrophobicContact CB-CD2 4.06Å; R909-L929 HydrophobicContact CB-CG 4.25Å; R909-L929 HydrophobicContact CG-CB 4.28Å; R909-L929 HydrophobicContact CG-CD1 4.4Å; R909-I930 WeakPolarHBondContact CA-O 3.43Å; R909-E931 IonicContact CZ-OE1 3.36Å; R909-E931 VanDerWaalsContact CZ-OE1 3.29Å; R909-E931 IonicContact NE-OE1 3.27Å; R909-E931 PolarHBondContact NE-OE1 3.11Å; R909-E931 IonicContact NH2-OE1 2.77Å; R909-E931 PolarHBondContact NH2-OE1 3.02Å |
| 910 | V | 90 | Very high | 72.7 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 125.1 | -179.6 | -175.8 | 0 | 0 | 0 | 0 | 110.1 | V863 H864 I865 V893 V912 I930 V932 L955 L957 | V863-V910 HydrophobicContact CG1-CG1 3.78Å; H864-V910 WeakPolarHBondContact O-CA 3.44Å; I865-V910 HydrophobicContact CG1-CG2 4.28Å; V893-V910 HydrophobicContact CG2-CG1 4.3Å; V910-V912 HydrophobicContact CG1-CG2 3.92Å; V910-I930 PolarHBondContact N-O 2.84Å; V910-I930 WeakPolarHBondContact O-CB 3.3Å; V910-I930 PolarHBondContact O-N 3.37Å; V910-V932 HydrophobicContact CG2-CG2 3.98Å; V910-L955 HydrophobicContact CG2-CD1 4Å; V910-L957 HydrophobicContact CB-CD2 3.86Å; V910-L957 HydrophobicContact CG1-CD2 4.48Å; V910-L957 HydrophobicContact CG2-CD2 3.64Å |
| 911 | Y | 86.4 | Confident | 71.4 | Confident | 18 Ų | 18 | 56.9 Ų | 56.9 | 7% | 0.071 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 137.8 | 165.1 | -178.8 | -104.8 | 0 | 0 | 0 | 109.1 | V863 H864 L915 L916 P917 | V863-Y911 WeakPolarHBondContact CA-O 3.47Å; H864-Y911 PolarHBondContact N-O 3.28Å; H864-Y911 PolarHBondContact O-N 3.3Å; Y911-L915 VanDerWaalsContact CE1-O 3.32Å; Y911-L915 WeakPolarHBondContact CE1-O 3.43Å; Y911-L915 PolarHBondContact OH-O 3.39Å; Y911-L916 HydrophobicContact CD1-CD2 4.14Å; Y911-L916 HydrophobicContact CE1-CD2 4.5Å; Y911-P917 HydrophobicContact CE2-CG 4.09Å |
| 912 | V | 79.7 | Confident | 70.9 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 99.1 | 174.1 | -173.8 | 0 | 0 | 0 | 0 | 109.8 | G862 V863 L881 V910 I930 V961 V967 | G862-V912 CarbonylContact O-C 3.44Å; G862-V912 WeakPolarHBondContact O-CA 3.46Å; V863-V912 HydrophobicContact CG2-CG1 4.27Å; V863-V912 HydrophobicContact CG2-CG2 4.43Å; L881-V912 HydrophobicContact CD1-CG1 3.87Å; V910-V912 HydrophobicContact CG1-CG2 3.92Å; V912-I930 HydrophobicContact CG2-CD1 4.24Å; V912-V961 HydrophobicContact CB-CG1 4.34Å; V912-V961 HydrophobicContact CG1-CG1 3.97Å; V912-V961 HydrophobicContact CG2-CG2 4.27Å; V912-V967 HydrophobicContact CG1-CB 4.31Å; V912-V967 HydrophobicContact CG1-CG1 3.34Å; V912-V967 HydrophobicContact CG1-CG2 3.94Å |
| 913 | G | 67.9 | Low | 70.5 | Confident | 3 Ų | 3 | 61.6 Ų | 61.6 | 3% | 0.031 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -173.4 | 150.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | G862 L915 | G862-G913 CarbonylContact C-O 3.52Å; G862-G913 WeakPolarHBondContact CA-O 3.46Å; G862-G913 PolarHBondContact O-N 2.75Å; G913-L915 VanDerWaalsContact C-N 3.29Å; G913-L915 PolarHBondContact O-N 3.37Å |
| 914 | S | 56.3 | Low | 70.4 | Confident | 16 Ų | 16 | 62.7 Ų | 62.7 | 11% | 0.112 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -70.3 | -20.7 | -174.1 | 51.3 | 0 | 0 | 0 | 0 | 114.7 | P996 | S914-P996 VanDerWaalsContact O-CD 3.31Å; S914-P996 WeakPolarHBondContact O-CD 3.4Å; S914-P996 WeakPolarHBondContact O-CG 3.46Å |
| 915 | L | 60.9 | Low | 70.1 | Confident | 86 Ų | 86 | 61.7 Ų | 61.7 | 45% | 0.45 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -120.1 | 127.4 | -178.9 | -65.5 | 171 | 0 | 0 | 0 | 109.4 | Y911 G913 P917 M995 | Y911-L915 VanDerWaalsContact CE1-O 3.32Å; Y911-L915 WeakPolarHBondContact CE1-O 3.43Å; Y911-L915 PolarHBondContact OH-O 3.39Å; G913-L915 VanDerWaalsContact C-N 3.29Å; G913-L915 PolarHBondContact O-N 3.37Å; L915-P917 WeakPolarHBondContact O-CD 3.3Å; L915-M995 HydrophobicContact CD2-CE 4.12Å; L915-M995 HydrophobicContact CD2-SD 3.75Å |
| 916 | L | 61 | Low | 69.3 | Low | 29 Ų | 29 | 62.4 Ų | 62.4 | 15% | 0.152 | 32% | 0.316 | C | S | . | . | trans | -72.2 | 126.6 | 169.5 | -81.3 | 179.1 | 0 | 0 | 0 | 109.6 | H864 F866 Y911 R918 V990 G994 | H864-L916 HydrophobicContact CB-CD2 4.1Å; H864-L916 VanDerWaalsContact CD2-CD2 3.47Å; H864-L916 WeakPolarHBondContact CD2-CD2 3.39Å; F866-L916 HydrophobicContact CE2-CD2 4.44Å; F866-L916 HydrophobicContact CZ-CD2 4.01Å; Y911-L916 HydrophobicContact CD1-CD2 4.14Å; Y911-L916 HydrophobicContact CE1-CD2 4.5Å; L916-R918 PolarHBondContact O-N 3.12Å; L916-V990 HydrophobicContact CD1-CB 4.42Å; L916-V990 HydrophobicContact CD1-CG1 3.8Å; L916-V990 HydrophobicContact CG-CG1 4.31Å; L916-G994 PolarHBondContact N-O 3.13Å | ||
| 917 | P | 57.5 | Low | 68.7 | Low | 44 Ų | 44 | 66.1 Ų | 66.1 | 29% | 0.286 | 32% | 0.322 | S | S | . | . | trans | -61.4 | 111.7 | 177.7 | -22.2 | 33.2 | 0 | 0 | 0 | 111 | Y911 L915 M920 L925 | Y911-P917 HydrophobicContact CE2-CG 4.09Å; L915-P917 WeakPolarHBondContact O-CD 3.3Å; P917-M920 HydrophobicContact CB-CB 3.73Å; P917-M920 HydrophobicContact CB-CE 4.31Å; P917-M920 HydrophobicContact CB-CG 4.46Å; P917-M920 HydrophobicContact CB-SD 3.97Å; P917-M920 HydrophobicContact CG-CE 4.44Å; P917-M920 HydrophobicContact CG-SD 4.11Å; P917-L925 HydrophobicContact CG-CD1 4.15Å | ||
| 918 | R | 54.2 | Low | 68 | Low | 139 Ų | 139 | 62.7 Ų | 62.7 | 53% | 0.525 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -81.5 | -29.2 | 176.9 | -64.9 | -158.7 | -161.8 | 167.9 | 13.7 | 113.8 | L916 H993 | L916-R918 PolarHBondContact O-N 3.12Å; R918-H993 PolarHBondContact NE-O 2.95Å; R918-H993 PolarHBondContact NH2-O 3.25Å |
| 919 | H | 52.9 | Low | 67.6 | Low | 177 Ų | 177 | 62.7 Ų | 62.7 | 82% | 0.819 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -133.5 | 67.6 | -172.5 | -59.9 | -66.5 | 0 | 0 | 0 | 110.1 | ||
| 920 | M | 58.3 | Low | 67.5 | Low | 75 Ų | 75 | 61.1 Ų | 61.1 | 37% | 0.369 | 31% | 0.306 | S | S | . | . | trans | -132.6 | 135.4 | 179 | -176.6 | 172.3 | -83.9 | 0 | 0 | 107.7 | P917 Q924 L925 T928 | P917-M920 HydrophobicContact CB-CB 3.73Å; P917-M920 HydrophobicContact CB-CE 4.31Å; P917-M920 HydrophobicContact CB-CG 4.46Å; P917-M920 HydrophobicContact CB-SD 3.97Å; P917-M920 HydrophobicContact CG-CE 4.44Å; P917-M920 HydrophobicContact CG-SD 4.11Å; M920-Q924 HydrophobicContact CG-CB 3.27Å; M920-Q924 HydrophobicContact CG-CG 4.41Å; M920-Q924 VanDerWaalsContact SD-C 3.59Å; M920-Q924 HydrophobicContact SD-CB 3.95Å; M920-L925 HydrophobicContact CG-CB 4.25Å; M920-L925 VanDerWaalsContact SD-CA 3.58Å; M920-L925 HydrophobicContact SD-CB 4.18Å; M920-L925 HydrophobicContact SD-CD1 4.42Å; M920-L925 PolarHBondContact SD-N 2.99Å; M920-T928 HydrophobicContact CE-CG2 4.25Å; M920-T928 HydrophobicContact SD-CG2 4.05Å | ||
| 921 | T | 59.8 | Low | 67.4 | Low | 75 Ų | 75 | 64.1 Ų | 64.1 | 46% | 0.46 | 32% | 0.32 | S | S | . | . | trans | -64.7 | 155.4 | 178.9 | 71.2 | 0 | 0 | 0 | 0 | 109.9 | E923 Q924 L925 | T921-E923 PolarHBondContact O-N 3.37Å; T921-E923 VanDerWaalsContact O-N 3.16Å; T921-Q924 PolarHBondContact O-N 2.92Å; T921-Q924 VanDerWaalsContact OG1-CG 3.29Å; T921-Q924 WeakPolarHBondContact OG1-CG 3.48Å; T921-Q924 PolarHBondContact OG1-N 2.98Å; T921-Q924 PolarHBondContact OG1-OE1 3.4Å; T921-L925 PolarHBondContact O-N 3Å | ||
| 922 | V | 64.8 | Low | 67.6 | Low | 90 Ų | 90 | 63.5 Ų | 63.5 | 55% | 0.545 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -55.3 | -36.5 | 179.5 | -178.8 | 0 | 0 | 0 | 0 | 111.3 | I873 G926 | I873-V922 HydrophobicContact CD1-CG1 3.82Å; I873-V922 HydrophobicContact CG1-CG1 4.25Å; V922-G926 PolarHBondContact O-N 2.76Å |
| 923 | E | 60.7 | Low | 67.9 | Low | 136 Ų | 136 | 65.6 Ų | 65.6 | 64% | 0.636 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65.8 | -47.3 | 174.3 | -61.9 | -172.1 | 178.1 | 0 | 0 | 113.3 | T921 L925 G926 R927 | T921-E923 PolarHBondContact O-N 3.37Å; T921-E923 VanDerWaalsContact O-N 3.16Å; E923-L925 VanDerWaalsContact C-N 3.34Å; E923-G926 PolarHBondContact O-N 2.96Å; E923-R927 WeakPolarHBondContact O-CG 3.42Å; E923-R927 PolarHBondContact O-N 3.45Å |
| 924 | Q | 64.2 | Low | 68.9 | Low | 91 Ų | 91 | 67 Ų | 67 | 43% | 0.425 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63 | -42.8 | 178.1 | -73.3 | 167.8 | -17.2 | 0 | 0 | 110.6 | M920 T921 G926 R927 T928 | M920-Q924 HydrophobicContact CG-CB 3.27Å; M920-Q924 HydrophobicContact CG-CG 4.41Å; M920-Q924 VanDerWaalsContact SD-C 3.59Å; M920-Q924 HydrophobicContact SD-CB 3.95Å; T921-Q924 PolarHBondContact O-N 2.92Å; T921-Q924 VanDerWaalsContact OG1-CG 3.29Å; T921-Q924 WeakPolarHBondContact OG1-CG 3.48Å; T921-Q924 PolarHBondContact OG1-N 2.98Å; T921-Q924 PolarHBondContact OG1-OE1 3.4Å; Q924-G926 VanDerWaalsContact C-N 3.34Å; Q924-G926 PolarHBondContact O-N 3.43Å; Q924-R927 PolarHBondContact O-N 2.79Å; Q924-R927 VanDerWaalsContact O-N 3.16Å; Q924-T928 PolarHBondContact O-N 3.43Å |
| 925 | L | 68.4 | Low | 70.4 | Confident | 28 Ų | 28 | 67.1 Ų | 67.1 | 15% | 0.147 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.9 | -46.5 | 175.4 | -177.9 | 64.2 | 0 | 0 | 0 | 110.1 | I873 P917 M920 T921 E923 R927 T928 L929 | I873-L925 HydrophobicContact CD1-CD2 4.38Å; I873-L925 HydrophobicContact CG2-CD2 4.11Å; P917-L925 HydrophobicContact CG-CD1 4.15Å; M920-L925 HydrophobicContact CG-CB 4.25Å; M920-L925 VanDerWaalsContact SD-CA 3.58Å; M920-L925 HydrophobicContact SD-CB 4.18Å; M920-L925 HydrophobicContact SD-CD1 4.42Å; M920-L925 PolarHBondContact SD-N 2.99Å; T921-L925 PolarHBondContact O-N 3Å; E923-L925 VanDerWaalsContact C-N 3.34Å; L925-R927 PolarHBondContact O-N 2.81Å; L925-T928 PolarHBondContact O-N 3.24Å; L925-T928 PolarHBondContact O-OG1 2.94Å; L925-L929 HydrophobicContact CG-CD1 4.3Å; L925-L929 WeakPolarHBondContact O-CG 3.24Å; L925-L929 PolarHBondContact O-N 3.19Å |
| 926 | G | 63.6 | Low | 71.5 | Confident | 36 Ų | 36 | 64.4 Ų | 64.4 | 37% | 0.371 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -52.8 | -37.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114 | V922 E923 Q924 L929 | V922-G926 PolarHBondContact O-N 2.76Å; E923-G926 PolarHBondContact O-N 2.96Å; Q924-G926 VanDerWaalsContact C-N 3.34Å; Q924-G926 PolarHBondContact O-N 3.43Å; G926-L929 PolarHBondContact O-N 3.19Å |
| 927 | R | 69.8 | Low | 72.3 | Confident | 181 Ų | 181 | 63.3 Ų | 63.3 | 68% | 0.683 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -72.6 | -23.7 | 176.1 | -66.9 | 174.6 | -166.2 | -172.6 | 6.7 | 114.1 | E923 Q924 L925 | E923-R927 WeakPolarHBondContact O-CG 3.42Å; E923-R927 PolarHBondContact O-N 3.45Å; Q924-R927 PolarHBondContact O-N 2.79Å; Q924-R927 VanDerWaalsContact O-N 3.16Å; L925-R927 PolarHBondContact O-N 2.81Å |
| 928 | T | 72.8 | Confident | 72.7 | Confident | 31 Ų | 31 | 61.7 Ų | 61.7 | 19% | 0.19 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -88.1 | -9.9 | 176.1 | 66.4 | 0 | 0 | 0 | 0 | 113.9 | M920 Q924 L925 | M920-T928 HydrophobicContact CE-CG2 4.25Å; M920-T928 HydrophobicContact SD-CG2 4.05Å; Q924-T928 PolarHBondContact O-N 3.43Å; L925-T928 PolarHBondContact O-N 3.24Å; L925-T928 PolarHBondContact O-OG1 2.94Å |
| 929 | L | 82.1 | Confident | 73.1 | Confident | 15 Ų | 15 | 57.7 Ų | 57.7 | 8% | 0.079 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -87.9 | 122.1 | -174.3 | -81.7 | 176.9 | 0 | 0 | 0 | 112.1 | F866 I873 R909 L925 G926 | F866-L929 HydrophobicContact CD2-CD2 3.65Å; F866-L929 HydrophobicContact CE2-CD2 4.13Å; F866-L929 HydrophobicContact CG-CD2 4.24Å; I873-L929 HydrophobicContact CD1-CD1 4.09Å; I873-L929 HydrophobicContact CG2-CD1 4Å; R909-L929 HydrophobicContact CB-CB 3.98Å; R909-L929 HydrophobicContact CB-CD1 4.02Å; R909-L929 HydrophobicContact CB-CD2 4.06Å; R909-L929 HydrophobicContact CB-CG 4.25Å; R909-L929 HydrophobicContact CG-CB 4.28Å; R909-L929 HydrophobicContact CG-CD1 4.4Å; L925-L929 HydrophobicContact CG-CD1 4.3Å; L925-L929 WeakPolarHBondContact O-CG 3.24Å; L925-L929 PolarHBondContact O-N 3.19Å; G926-L929 PolarHBondContact O-N 3.19Å |
| 930 | I | 86.9 | Confident | 73.3 | Confident | 12 Ų | 12 | 50.6 Ų | 50.6 | 6% | 0.062 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 133 | 179.3 | -52.2 | 177 | 0 | 0 | 0 | 110 | R909 V910 V912 L957 H959 V961 | R909-I930 WeakPolarHBondContact CA-O 3.43Å; V910-I930 PolarHBondContact N-O 2.84Å; V910-I930 WeakPolarHBondContact O-CB 3.3Å; V910-I930 PolarHBondContact O-N 3.37Å; V912-I930 HydrophobicContact CG2-CD1 4.24Å; I930-L957 HydrophobicContact CD1-CD1 4.4Å; I930-L957 HydrophobicContact CG2-CB 3.95Å; I930-L957 HydrophobicContact CG2-CD1 4.17Å; I930-L957 HydrophobicContact CG2-CD2 4.28Å; I930-L957 HydrophobicContact CG2-CG 4.36Å; I930-H959 HydrophobicContact CG2-CB 4.2Å; I930-V961 HydrophobicContact CD1-CG2 3.3Å |
| 931 | E | 87.9 | Confident | 73 | Confident | 64 Ų | 64 | 48.5 Ų | 48.5 | 30% | 0.299 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 139.8 | 177.5 | -53.1 | -147.1 | 128.8 | 0 | 0 | 113 | R909 L957 K958 | R909-E931 IonicContact CZ-OE1 3.36Å; R909-E931 VanDerWaalsContact CZ-OE1 3.29Å; R909-E931 IonicContact NE-OE1 3.27Å; R909-E931 PolarHBondContact NE-OE1 3.11Å; R909-E931 IonicContact NH2-OE1 2.77Å; R909-E931 PolarHBondContact NH2-OE1 3.02Å; E931-L957 CarbonylContact O-C 3.5Å; E931-L957 WeakPolarHBondContact O-CA 3.14Å; E931-K958 HydrophobicContact CB-CB 4.33Å; E931-K958 HydrophobicContact CB-CD 3.78Å; E931-K958 HydrophobicContact CB-CG 3.99Å; E931-K958 PolarHBondContact O-N 3.39Å; E931-K958 WeakPolarHBondContact OE2-CD 3.18Å; E931-K958 WeakPolarHBondContact OE2-CE 3.22Å; E931-K958 IonicContact OE2-NZ 3.42Å; E931-K958 PolarHBondContact OE2-NZ 2.7Å |
| 932 | V | 90 | Very high | 72.3 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 3% | 0.03 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 123.6 | 169.1 | -176 | 0 | 0 | 0 | 0 | 108.8 | A905 V910 S934 I935 L955 L957 | A905-V932 HydrophobicContact CB-CG1 4.19Å; V910-V932 HydrophobicContact CG2-CG2 3.98Å; V932-S934 WeakPolarHBondContact CG1-O 3.4Å; V932-I935 HydrophobicContact CG1-CD1 4.42Å; V932-I935 HydrophobicContact CG1-CG1 3.75Å; V932-L955 HydrophobicContact CG1-CB 4.12Å; V932-L955 HydrophobicContact CG2-CB 4.46Å; V932-L955 HydrophobicContact CG2-CD1 4.4Å; V932-L957 HydrophobicContact CG2-CD2 4.42Å |
| 933 | G | 87.1 | Confident | 71 | Confident | 44 Ų | 44 | 50.2 Ų | 50.2 | 45% | 0.454 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | -36 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | K956 | G933-K956 WeakPolarHBondContact CA-O 3.14Å; G933-K956 PolarHBondContact N-O 3.29Å |
| 934 | S | 88.5 | Confident | 70.4 | Confident | 34 Ų | 34 | 49.2 Ų | 49.2 | 24% | 0.238 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 153.4 | 172.3 | 68.1 | 0 | 0 | 0 | 0 | 111.8 | V932 F936 K956 | V932-S934 WeakPolarHBondContact CG1-O 3.4Å; S934-F936 WeakPolarHBondContact OG-CE2 3.45Å; S934-F936 VanDerWaalsContact OG-CZ 3.26Å; S934-F936 WeakPolarHBondContact OG-CZ 3.37Å; S934-K956 PolarHBondContact N-O 3.06Å; S934-K956 PolarHBondContact O-N 2.95Å; S934-K956 WeakPolarHBondContact OG-CB 3.38Å |
| 935 | I | 86.6 | Confident | 69.6 | Low | 17 Ų | 17 | 50.5 Ų | 50.5 | 9% | 0.087 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 133.2 | 176.2 | -64.1 | 178.6 | 0 | 0 | 0 | 107.4 | V900 A905 Y908 V932 T953 L955 | V900-I935 HydrophobicContact CG1-CD1 3.72Å; V900-I935 HydrophobicContact CG1-CG2 4.17Å; A905-I935 HydrophobicContact CB-CD1 4.01Å; A905-I935 HydrophobicContact CB-CG1 3.94Å; Y908-I935 HydrophobicContact CD2-CD1 3.61Å; Y908-I935 HydrophobicContact CE2-CD1 4.04Å; Y908-I935 HydrophobicContact CG-CD1 4.33Å; V932-I935 HydrophobicContact CG1-CD1 4.42Å; V932-I935 HydrophobicContact CG1-CG1 3.75Å; I935-T953 HydrophobicContact CG2-CG2 3.68Å; I935-L955 HydrophobicContact CB-CD2 4.46Å; I935-L955 HydrophobicContact CD1-CD2 4.25Å; I935-L955 HydrophobicContact CG1-CD2 3.84Å; I935-L955 HydrophobicContact CG2-CD2 4.14Å |
| 936 | F | 84.4 | Confident | 68.8 | Low | 29 Ų | 29 | 54 Ų | 54 | 13% | 0.127 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 118.7 | 171.8 | -53 | -79.8 | 0 | 0 | 0 | 109.8 | S934 T953 V954 K956 I1091 Q1092 E1095 T1096 | S934-F936 WeakPolarHBondContact OG-CE2 3.45Å; S934-F936 VanDerWaalsContact OG-CZ 3.26Å; S934-F936 WeakPolarHBondContact OG-CZ 3.37Å; F936-T953 CarbonylContact O-C 3.54Å; F936-T953 VanDerWaalsContact O-CA 3.28Å; F936-T953 WeakPolarHBondContact O-CA 3.34Å; F936-V954 HydrophobicContact CB-CB 4.44Å; F936-V954 PolarHBondContact N-O 2.64Å; F936-V954 PolarHBondContact O-N 2.85Å; F936-K956 HydrophobicContact CE2-CB 4.14Å; F936-K956 HydrophobicContact CE2-CD 4.49Å; F936-I1091 HydrophobicContact CB-CG2 3.7Å; F936-I1091 WeakPolarHBondContact O-CG2 3.32Å; F936-Q1092 HydrophobicContact CD2-CG 3.84Å; F936-Q1092 HydrophobicContact CE2-CG 4.15Å; F936-Q1092 HydrophobicContact CG-CG 4.13Å; F936-E1095 VanDerWaalsContact C-OE2 3.23Å; F936-E1095 WeakPolarHBondContact CA-OE2 3.35Å; F936-E1095 HydrophobicContact CD1-CB 4.36Å; F936-T1096 HydrophobicContact CE1-CG2 4.04Å |
| 937 | A | 77.5 | Confident | 68.4 | Low | 7 Ų | 7 | 53.3 Ų | 53.3 | 6% | 0.058 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 139.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | T953 E1095 | A937-T953 HydrophobicContact CB-CG2 4.2Å; A937-T953 VanDerWaalsContact CB-OG1 3.27Å; A937-T953 WeakPolarHBondContact CB-OG1 3.32Å; A937-E1095 PolarHBondContact N-OE2 3.5Å; A937-E1095 VanDerWaalsContact O-CD 3.3Å |
| 938 | T | 66.1 | Low | 67.8 | Low | 10 Ų | 10 | 49.5 Ų | 49.5 | 6% | 0.061 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 111.6 | 166.3 | 73.5 | 0 | 0 | 0 | 0 | 112.3 | R549 L940 G951 L952 I1091 L1094 | R549-T938 PolarHBondContact NH2-OG1 3.02Å; T938-L940 PolarHBondContact O-N 2.83Å; T938-G951 WeakPolarHBondContact O-CA 3.17Å; T938-L952 PolarHBondContact N-O 3.49Å; T938-I1091 HydrophobicContact CG2-CB 4.24Å; T938-I1091 HydrophobicContact CG2-CD1 4.41Å; T938-I1091 HydrophobicContact CG2-CG1 3.79Å; T938-I1091 HydrophobicContact CG2-CG2 4.12Å; T938-I1091 WeakPolarHBondContact OG1-CD1 3.3Å; T938-I1091 WeakPolarHBondContact OG1-CG1 3.45Å; T938-L1094 HydrophobicContact CG2-CB 4.09Å; T938-L1094 HydrophobicContact CG2-CD1 3.8Å |
| 939 | P | 62.3 | Low | 67.5 | Low | 54 Ų | 54 | 51.1 Ų | 51.1 | 35% | 0.351 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 135.8 | 170.1 | 29.2 | -34.9 | 0 | 0 | 0 | 109.4 | R549 Y941 K948 M950 | R549-P939 PolarHBondContact NH1-O 3.23Å; P939-Y941 VanDerWaalsContact C-N 3.33Å; P939-Y941 PolarHBondContact O-N 3.34Å; P939-K948 WeakPolarHBondContact CB-O 3.26Å; P939-M950 CarbonylContact C-O 3.53Å; P939-M950 WeakPolarHBondContact CA-O 3.42Å |
| 940 | L | 57.4 | Low | 66.9 | Low | 28 Ų | 28 | 50.5 Ų | 50.5 | 15% | 0.147 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -66 | -35.7 | -171.4 | -77.7 | 164.5 | 0 | 0 | 0 | 112.2 | R549 T938 M950 V1021 M1081 | R549-L940 WeakPolarHBondContact CD-O 3.44Å; R549-L940 PolarHBondContact NE-O 3.03Å; T938-L940 PolarHBondContact O-N 2.83Å; L940-M950 HydrophobicContact CD1-CB 4.3Å; L940-M950 PolarHBondContact N-O 3.45Å; L940-V1021 HydrophobicContact CD1-CB 4.34Å; L940-V1021 HydrophobicContact CD2-CG1 4.47Å; L940-M1081 HydrophobicContact CD1-SD 4.41Å |
| 941 | Y | 51.6 | Low | 66.3 | Low | 32 Ų | 32 | 50 Ų | 50 | 13% | 0.125 | 27% | 0.271 | C | S | . | . | trans | -140.3 | 98 | -177.5 | -62 | -87.3 | 0 | 0 | 0 | 111.6 | P524 P939 Q943 Y944 L947 L1018 V1021 | P524-Y941 HydrophobicContact CB-CE1 4.01Å; P524-Y941 HydrophobicContact CG-CE1 4.1Å; P939-Y941 VanDerWaalsContact C-N 3.33Å; P939-Y941 PolarHBondContact O-N 3.34Å; Y941-Q943 PolarHBondContact O-N 2.85Å; Y941-Q943 VanDerWaalsContact O-N 3.16Å; Y941-Y944 HydrophobicContact CD1-CD2 4.43Å; Y941-Y944 PolarHBondContact O-N 3.02Å; Y941-L947 HydrophobicContact CD2-CB 3.97Å; Y941-L947 HydrophobicContact CD2-CD1 3.7Å; Y941-L947 HydrophobicContact CD2-CG 4.35Å; Y941-L947 HydrophobicContact CE2-CD1 4.27Å; Y941-L947 HydrophobicContact CG-CB 4.3Å; Y941-L947 HydrophobicContact CG-CD1 3.98Å; Y941-L1018 HydrophobicContact CD2-CD1 4.5Å; Y941-L1018 HydrophobicContact CE2-CD1 3.85Å; Y941-V1021 HydrophobicContact CE2-CG2 4.25Å | ||
| 942 | A | 44.8 | Very low | 66 | Low | 71 Ų | 71 | 47.7 Ų | 47.7 | 59% | 0.587 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -16 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | K948 | A942-K948 WeakPolarHBondContact O-CE 3.08Š|
| 943 | Q | 38.7 | Very low | 65.9 | Low | 130 Ų | 130 | 47.4 Ų | 47.4 | 61% | 0.607 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | -4.9 | -175.3 | -58.3 | -172 | 30 | 0 | 0 | 114.7 | N550 Y941 | N550-Q943 PolarHBondContact OD1-NE2 3Å; Y941-Q943 PolarHBondContact O-N 2.85Å; Y941-Q943 VanDerWaalsContact O-N 3.16Å |
| 944 | Y | 47.6 | Very low | 66 | Low | 115 Ų | 115 | 45.3 Ų | 45.3 | 45% | 0.451 | 24% | 0.238 | S | C | . | . | trans | -127.6 | 113.1 | -173.2 | -69.1 | -88.9 | 0 | 0 | 0 | 110.3 | Y941 E946 L947 K948 | Y941-Y944 HydrophobicContact CD1-CD2 4.43Å; Y941-Y944 PolarHBondContact O-N 3.02Å; Y944-E946 PolarHBondContact O-N 2.9Å; Y944-L947 HydrophobicContact CG-CD1 4.31Å; Y944-L947 CarbonylContact O-C 3.57Å; Y944-L947 WeakPolarHBondContact O-CA 3.06Å; Y944-L947 PolarHBondContact O-N 3.1Å; Y944-K948 PolarHBondContact O-N 3.5Å | ||
| 945 | D | 48.4 | Very low | 66.2 | Low | 117 Ų | 117 | 43.7 Ų | 43.7 | 63% | 0.626 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -59.8 | -43.2 | -167.3 | -66 | -56.1 | 0 | 0 | 0 | 114.6 | L947 K948 | D945-L947 PolarHBondContact O-N 3.47Å; D945-L947 VanDerWaalsContact O-N 3.12Å; D945-K948 PolarHBondContact O-N 2.87Å; D945-K948 WeakPolarHBondContact OD1-CD 3.18Å; D945-K948 VanDerWaalsContact OD1-CE 3.25Å; D945-K948 WeakPolarHBondContact OD1-CE 3.37Å; D945-K948 IonicContact OD1-NZ 3.9Å; D945-K948 PolarHBondContact OD1-NZ 2.8Å |
| 946 | E | 50.4 | Low | 66.4 | Low | 102 Ų | 102 | 46.7 Ų | 46.7 | 48% | 0.477 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.2 | -24.4 | 174.9 | -70.6 | -155.9 | 169.4 | 0 | 0 | 113.1 | Y944 K1016 | Y944-E946 PolarHBondContact O-N 2.9Å; E946-K1016 IonicContact OE1-NZ 3.15Å; E946-K1016 PolarHBondContact OE1-NZ 2.98Å; E946-K1016 IonicContact OE2-NZ 2.97Å; E946-K1016 PolarHBondContact OE2-NZ 2.85Å |
| 947 | L | 55.5 | Low | 66.7 | Low | 22 Ų | 22 | 45.6 Ų | 45.6 | 12% | 0.115 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -103.9 | -11.8 | -174.5 | -57.3 | 174.6 | 0 | 0 | 0 | 113.3 | Y941 Y944 D945 T949 M950 L1018 M1022 | Y941-L947 HydrophobicContact CD2-CB 3.97Å; Y941-L947 HydrophobicContact CD2-CD1 3.7Å; Y941-L947 HydrophobicContact CD2-CG 4.35Å; Y941-L947 HydrophobicContact CE2-CD1 4.27Å; Y941-L947 HydrophobicContact CG-CB 4.3Å; Y941-L947 HydrophobicContact CG-CD1 3.98Å; Y944-L947 HydrophobicContact CG-CD1 4.31Å; Y944-L947 CarbonylContact O-C 3.57Å; Y944-L947 WeakPolarHBondContact O-CA 3.06Å; Y944-L947 PolarHBondContact O-N 3.1Å; D945-L947 PolarHBondContact O-N 3.47Å; D945-L947 VanDerWaalsContact O-N 3.12Å; L947-T949 PolarHBondContact O-N 2.92Å; L947-M950 HydrophobicContact CD2-SD 3.73Å; L947-M950 PolarHBondContact O-N 2.66Å; L947-M950 VanDerWaalsContact O-N 3.09Å; L947-L1018 HydrophobicContact CD1-CD1 3.7Å; L947-L1018 HydrophobicContact CD2-CD1 3.73Å; L947-L1018 HydrophobicContact CG-CD1 4.39Å; L947-M1022 HydrophobicContact CD2-CE 4.11Å |
| 948 | K | 57.2 | Low | 67.1 | Low | 100 Ų | 100 | 50.5 Ų | 50.5 | 44% | 0.435 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.9 | -29.6 | 172.5 | -77.8 | 178.7 | -177.6 | 166.6 | 0 | 112.4 | P939 A942 Y944 D945 | P939-K948 WeakPolarHBondContact CB-O 3.26Å; A942-K948 WeakPolarHBondContact O-CE 3.08Å; Y944-K948 PolarHBondContact O-N 3.5Å; D945-K948 PolarHBondContact O-N 2.87Å; D945-K948 WeakPolarHBondContact OD1-CD 3.18Å; D945-K948 VanDerWaalsContact OD1-CE 3.25Å; D945-K948 WeakPolarHBondContact OD1-CE 3.37Å; D945-K948 IonicContact OD1-NZ 3.9Å; D945-K948 PolarHBondContact OD1-NZ 2.8Å |
| 949 | T | 66.2 | Low | 67.9 | Low | 65 Ų | 65 | 52.6 Ų | 52.6 | 40% | 0.399 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -6.2 | 177.8 | 57 | 0 | 0 | 0 | 0 | 113.7 | R898 L947 | R898-T949 PolarHBondContact N-O 3.34Å; R898-T949 PolarHBondContact NH1-OG1 3.13Å; R898-T949 PolarHBondContact NH2-OG1 3.23Å; L947-T949 PolarHBondContact O-N 2.92Å |
| 950 | M | 68.9 | Low | 68.8 | Low | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | trans | -96.3 | 124.2 | 179.2 | -65.7 | -168 | 75.6 | 0 | 0 | 110.4 | P939 L940 L947 M1022 D1055 M1081 | P939-M950 CarbonylContact C-O 3.53Å; P939-M950 WeakPolarHBondContact CA-O 3.42Å; L940-M950 HydrophobicContact CD1-CB 4.3Å; L940-M950 PolarHBondContact N-O 3.45Å; L947-M950 HydrophobicContact CD2-SD 3.73Å; L947-M950 PolarHBondContact O-N 2.66Å; L947-M950 VanDerWaalsContact O-N 3.09Å; M950-M1022 HydrophobicContact CE-CE 3.49Å; M950-M1022 VanDerWaalsContact CE-CE 3.49Å; M950-M1022 HydrophobicContact CE-CG 4.17Å; M950-M1022 HydrophobicContact CE-SD 4.41Å; M950-M1022 HydrophobicContact SD-CE 3.44Å; M950-M1022 WeakPolarHBondContact SD-CE 3.4Å; M950-D1055 HydrophobicContact CE-CB 4.4Å; M950-D1055 WeakPolarHBondContact CE-OD2 3.22Å; M950-M1081 HydrophobicContact CB-SD 4.12Å; M950-M1081 HydrophobicContact CE-CG 3.77Å; M950-M1081 HydrophobicContact CE-SD 4.2Å | ||
| 951 | G | 74.9 | Confident | 69.8 | Low | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.5 | 169.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S897 T938 M1081 | S897-G951 WeakPolarHBondContact CB-O 3.42Å; S897-G951 PolarHBondContact N-O 3.06Å; S897-G951 WeakPolarHBondContact OG-CA 3.37Å; S897-G951 PolarHBondContact OG-O 3.34Å; T938-G951 WeakPolarHBondContact O-CA 3.17Å; G951-M1081 PolarHBondContact N-SD 3.34Å; G951-M1081 WeakPolarHBondContact O-CE 3.45Å; G951-M1081 VanDerWaalsContact O-SD 3.38Å |
| 952 | L | 82.2 | Confident | 71 | Confident | 16 Ų | 16 | 57.9 Ų | 57.9 | 8% | 0.084 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 136.3 | 168.3 | 164.5 | 65.6 | 0 | 0 | 0 | 108.9 | V894 T895 S897 T938 V954 I1053 L1083 D1087 V1088 I1091 | V894-L952 HydrophobicContact CB-CD1 4.49Å; V894-L952 HydrophobicContact CG1-CD1 3.64Å; T895-L952 WeakPolarHBondContact O-CD1 3.33Å; S897-L952 PolarHBondContact OG-N 3.41Å; S897-L952 PolarHBondContact OG-O 2.85Å; S897-L952 VanDerWaalsContact OG-O 3.11Å; T938-L952 PolarHBondContact N-O 3.49Å; L952-V954 HydrophobicContact CD2-CG2 4.47Å; L952-V954 HydrophobicContact CG-CG2 4.38Å; L952-I1053 HydrophobicContact CD1-CD1 3.54Å; L952-L1083 HydrophobicContact CD1-CD2 4.02Å; L952-L1083 HydrophobicContact CD2-CD2 3.83Å; L952-L1083 HydrophobicContact CG-CD2 4.35Å; L952-D1087 HydrophobicContact CD2-CB 3.77Å; L952-V1088 HydrophobicContact CD2-CG2 4.4Å; L952-I1091 HydrophobicContact CB-CD1 3.54Å; L952-I1091 HydrophobicContact CD2-CD1 3.67Å; L952-I1091 HydrophobicContact CG-CD1 3.58Å; L952-I1091 VanDerWaalsContact O-CD1 3.31Å; L952-I1091 WeakPolarHBondContact O-CD1 3.42Å |
| 953 | T | 87.5 | Confident | 72.3 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 136.2 | 168.6 | -63.4 | 0 | 0 | 0 | 0 | 110 | T895 S897 V900 I935 F936 A937 L955 | T895-T953 HydrophobicContact CG2-CG2 4.43Å; T895-T953 PolarHBondContact N-O 2.95Å; T895-T953 PolarHBondContact O-N 2.73Å; T895-T953 VanDerWaalsContact O-O 3.13Å; S897-T953 WeakPolarHBondContact CA-OG1 3.49Å; S897-T953 WeakPolarHBondContact CB-OG1 3.37Å; S897-T953 PolarHBondContact OG-N 3.43Å; S897-T953 PolarHBondContact OG-OG1 3.02Å; V900-T953 HydrophobicContact CB-CG2 4.11Å; V900-T953 HydrophobicContact CG1-CG2 4.29Å; V900-T953 WeakPolarHBondContact O-CG2 3.47Å; V900-T953 PolarHBondContact O-OG1 3.14Å; I935-T953 HydrophobicContact CG2-CG2 3.68Å; F936-T953 CarbonylContact O-C 3.54Å; F936-T953 VanDerWaalsContact O-CA 3.28Å; F936-T953 WeakPolarHBondContact O-CA 3.34Å; A937-T953 HydrophobicContact CB-CG2 4.2Å; A937-T953 VanDerWaalsContact CB-OG1 3.27Å; A937-T953 WeakPolarHBondContact CB-OG1 3.32Å; T953-L955 HydrophobicContact CG2-CD2 3.71Å |
| 954 | V | 89.9 | Confident | 73.6 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 111.6 | 174.1 | -174.6 | 0 | 0 | 0 | 0 | 107.6 | E892 V893 F936 L952 V1088 I1091 | E892-V954 HydrophobicContact CB-CG1 4.37Å; V893-V954 CarbonylContact O-C 3.44Å; V893-V954 WeakPolarHBondContact O-CA 3.05Å; F936-V954 HydrophobicContact CB-CB 4.44Å; F936-V954 PolarHBondContact N-O 2.64Å; F936-V954 PolarHBondContact O-N 2.85Å; L952-V954 HydrophobicContact CD2-CG2 4.47Å; L952-V954 HydrophobicContact CG-CG2 4.38Å; V954-V1088 HydrophobicContact CG1-CG1 4.05Å; V954-V1088 HydrophobicContact CG2-CB 4.33Å; V954-V1088 HydrophobicContact CG2-CG1 4Å; V954-V1088 HydrophobicContact CG2-CG2 4.23Å; V954-I1091 HydrophobicContact CG2-CG2 4.32Å |
| 955 | L | 91.7 | Very high | 73.9 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 129.7 | 171.2 | -44 | 179.1 | 0 | 0 | 0 | 107.9 | I865 E892 V893 T895 V900 V910 V932 I935 T953 | I865-L955 HydrophobicContact CD1-CD1 3.75Å; I865-L955 HydrophobicContact CG1-CD1 3.95Å; I865-L955 HydrophobicContact CG2-CD1 4.29Å; E892-L955 WeakPolarHBondContact CA-O 3.19Å; V893-L955 HydrophobicContact CB-CB 4.26Å; V893-L955 HydrophobicContact CG1-CD1 4.39Å; V893-L955 PolarHBondContact N-O 3.17Å; V893-L955 PolarHBondContact O-N 3Å; T895-L955 HydrophobicContact CG2-CG 4.5Å; V900-L955 HydrophobicContact CB-CD2 4.08Å; V900-L955 HydrophobicContact CG1-CD2 3.65Å; V900-L955 HydrophobicContact CG2-CD1 4.44Å; V900-L955 HydrophobicContact CG2-CD2 4.27Å; V910-L955 HydrophobicContact CG2-CD1 4Å; V932-L955 HydrophobicContact CG1-CB 4.12Å; V932-L955 HydrophobicContact CG2-CB 4.46Å; V932-L955 HydrophobicContact CG2-CD1 4.4Å; I935-L955 HydrophobicContact CB-CD2 4.46Å; I935-L955 HydrophobicContact CD1-CD2 4.25Å; I935-L955 HydrophobicContact CG1-CD2 3.84Å; I935-L955 HydrophobicContact CG2-CD2 4.14Å; T953-L955 HydrophobicContact CG2-CD2 3.71Å |
| 956 | K | 90.8 | Very high | 74.1 | Confident | 80 Ų | 80 | 47.7 Ų | 47.7 | 35% | 0.348 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 117.6 | 169.2 | -166.1 | 176.7 | -176.6 | -179.4 | 0 | 109.2 | D891 G933 S934 F936 | D891-K956 CarbonylContact O-C 3.46Å; D891-K956 VanDerWaalsContact O-CA 3.28Å; D891-K956 WeakPolarHBondContact O-CA 3.3Å; D891-K956 WeakPolarHBondContact OD2-CE 3.24Å; D891-K956 IonicContact OD2-NZ 3.74Å; G933-K956 WeakPolarHBondContact CA-O 3.14Å; G933-K956 PolarHBondContact N-O 3.29Å; S934-K956 PolarHBondContact N-O 3.06Å; S934-K956 PolarHBondContact O-N 2.95Å; S934-K956 WeakPolarHBondContact OG-CB 3.38Å; F936-K956 HydrophobicContact CE2-CB 4.14Å; F936-K956 HydrophobicContact CE2-CD 4.49Å |
| 957 | L | 90.2 | Very high | 74.8 | Confident | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 151.1 | 178.8 | -55.2 | -177.6 | 0 | 0 | 0 | 110.7 | L881 D891 V893 V910 I930 E931 V932 H959 V961 | L881-L957 HydrophobicContact CD2-CD1 4.46Å; D891-L957 PolarHBondContact O-N 3.15Å; V893-L957 HydrophobicContact CG2-CD1 3.98Å; V893-L957 HydrophobicContact CG2-CD2 4.3Å; V893-L957 HydrophobicContact CG2-CG 4.23Å; V910-L957 HydrophobicContact CB-CD2 3.86Å; V910-L957 HydrophobicContact CG1-CD2 4.48Å; V910-L957 HydrophobicContact CG2-CD2 3.64Å; I930-L957 HydrophobicContact CD1-CD1 4.4Å; I930-L957 HydrophobicContact CG2-CB 3.95Å; I930-L957 HydrophobicContact CG2-CD1 4.17Å; I930-L957 HydrophobicContact CG2-CD2 4.28Å; I930-L957 HydrophobicContact CG2-CG 4.36Å; E931-L957 CarbonylContact O-C 3.5Å; E931-L957 WeakPolarHBondContact O-CA 3.14Å; V932-L957 HydrophobicContact CG2-CD2 4.42Å; L957-H959 VanDerWaalsContact C-N 3.29Å; L957-H959 VanDerWaalsContact CB-O 3.26Å; L957-H959 WeakPolarHBondContact CB-O 3.48Å; L957-V961 HydrophobicContact CD1-CG2 4.09Å |
| 958 | K | 86.4 | Confident | 75.5 | Confident | 109 Ų | 109 | 44.8 Ų | 44.8 | 47% | 0.474 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | -25.9 | 171.5 | -66.4 | -166.6 | -172 | 171.1 | 0 | 112.7 | E931 | E931-K958 HydrophobicContact CB-CB 4.33Å; E931-K958 HydrophobicContact CB-CD 3.78Å; E931-K958 HydrophobicContact CB-CG 3.99Å; E931-K958 PolarHBondContact O-N 3.39Å; E931-K958 WeakPolarHBondContact OE2-CD 3.18Å; E931-K958 WeakPolarHBondContact OE2-CE 3.22Å; E931-K958 IonicContact OE2-NZ 3.42Å; E931-K958 PolarHBondContact OE2-NZ 2.7Å |
| 959 | H | 82.5 | Confident | 76.5 | Confident | 55 Ų | 55 | 41.5 Ų | 41.5 | 26% | 0.255 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 146.7 | 178.5 | -58.1 | -66.1 | 0 | 0 | 0 | 110.8 | Y747 I930 L957 | Y747-H959 HydrophobicContact CD2-CB 4.42Å; I930-H959 HydrophobicContact CG2-CB 4.2Å; L957-H959 VanDerWaalsContact C-N 3.29Å; L957-H959 VanDerWaalsContact CB-O 3.26Å; L957-H959 WeakPolarHBondContact CB-O 3.48Å |
| 960 | R | 81.8 | Confident | 77.4 | Confident | 125 Ų | 125 | 38.9 Ų | 38.9 | 47% | 0.472 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 139.4 | 174.8 | -74.8 | 176.7 | 177.2 | 171 | 3.8 | 110.3 | Y889 S890 D891 | Y889-R960 HydrophobicContact CD1-CB 4.46Å; S890-R960 WeakPolarHBondContact O-CA 3.16Å; D891-R960 HydrophobicContact CB-CG 3.87Å |
| 961 | V | 79.5 | Confident | 78.1 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.012 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 134.3 | 175.4 | -170.9 | 0 | 0 | 0 | 0 | 109.6 | L881 Y889 S890 V912 I930 L957 V967 | L881-V961 HydrophobicContact CD1-CB 4.18Å; L881-V961 HydrophobicContact CD1-CG1 4.2Å; Y889-V961 CarbonylContact C-O 3.37Å; Y889-V961 VanDerWaalsContact CA-O 3.23Å; Y889-V961 WeakPolarHBondContact CA-O 3.39Å; S890-V961 PolarHBondContact N-O 3.45Å; S890-V961 PolarHBondContact O-N 2.8Å; V912-V961 HydrophobicContact CB-CG1 4.34Å; V912-V961 HydrophobicContact CG1-CG1 3.97Å; V912-V961 HydrophobicContact CG2-CG2 4.27Å; I930-V961 HydrophobicContact CD1-CG2 3.3Å; L957-V961 HydrophobicContact CD1-CG2 4.09Å; V961-V967 HydrophobicContact CG1-CG1 4.32Å |
| 962 | K | 75.6 | Confident | 78.6 | Confident | 97 Ų | 97 | 40.3 Ų | 40.3 | 42% | 0.422 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 138.9 | 173.4 | -169 | 179.1 | 178 | -175.9 | 0 | 110.4 | Y889 | Y889-K962 HydrophobicContact CD1-CB 3.87Å; Y889-K962 HydrophobicContact CD1-CG 4.38Å; Y889-K962 HydrophobicContact CE1-CB 3.66Å; Y889-K962 HydrophobicContact CE1-CD 4.33Å; Y889-K962 HydrophobicContact CE1-CG 3.98Å; Y889-K962 HydrophobicContact CE2-CG 4.32Å |
| 963 | I | 73.3 | Confident | 78.4 | Confident | 51 Ų | 51 | 39.8 Ų | 39.8 | 26% | 0.262 | 20% | 0.196 | S | C | . | . | trans | -82.4 | 126.2 | 173.8 | -56.2 | -58.9 | 0 | 0 | 0 | 109.1 | L881 V883 T888 | L881-I963 HydrophobicContact CB-CD1 4.31Å; L881-I963 HydrophobicContact CD1-CD1 3.95Å; V883-I963 HydrophobicContact CG2-CD1 3.41Å; V883-I963 VanDerWaalsContact CG2-CD1 3.41Å; V883-I963 HydrophobicContact CG2-CG1 3.51Å; T888-I963 PolarHBondContact O-N 3.15Å | ||
| 964 | A | 64.2 | Low | 77.3 | Confident | 36 Ų | 36 | 41.6 Ų | 41.6 | 30% | 0.298 | 20% | 0.203 | S | C | . | . | B | Isolated β-bridge | trans | -148.5 | 172.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | G966 V967 | A964-G966 PolarHBondContact O-N 3.45Å; A964-V967 PolarHBondContact N-O 3.41Å; A964-V967 CarbonylContact O-C 3.49Å; A964-V967 VanDerWaalsContact O-C 3.25Å; A964-V967 WeakPolarHBondContact O-CA 3.38Å; A964-V967 PolarHBondContact O-N 3.31Å; A964-V967 VanDerWaalsContact O-O 3.08Å |
| 965 | N | 54.4 | Low | 75.8 | Confident | 125 Ų | 125 | 42.4 Ų | 42.4 | 67% | 0.668 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 133.1 | 172.1 | -69.1 | -8 | 0 | 0 | 0 | 109.5 | V967 | N965-V967 VanDerWaalsContact C-N 3.26Å; N965-V967 PolarHBondContact O-N 3.16Å |
| 966 | G | 54.2 | Low | 74 | Confident | 8 Ų | 8 | 42.7 Ų | 42.7 | 8% | 0.082 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | -11.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | A964 | A964-G966 PolarHBondContact O-N 3.45Š|
| 967 | V | 64.9 | Low | 72.7 | Confident | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.024 | 20% | 0.197 | C | C | . | . | B | Isolated β-bridge | trans | -127 | 71.4 | 173.1 | -178.8 | 0 | 0 | 0 | 0 | 108.5 | L881 V912 V961 A964 N965 | L881-V967 HydrophobicContact CD1-CG1 3.63Å; V912-V967 HydrophobicContact CG1-CB 4.31Å; V912-V967 HydrophobicContact CG1-CG1 3.34Å; V912-V967 HydrophobicContact CG1-CG2 3.94Å; V961-V967 HydrophobicContact CG1-CG1 4.32Å; A964-V967 PolarHBondContact N-O 3.41Å; A964-V967 CarbonylContact O-C 3.49Å; A964-V967 VanDerWaalsContact O-C 3.25Å; A964-V967 WeakPolarHBondContact O-CA 3.38Å; A964-V967 PolarHBondContact O-N 3.31Å; A964-V967 VanDerWaalsContact O-O 3.08Å; N965-V967 VanDerWaalsContact C-N 3.26Å; N965-V967 PolarHBondContact O-N 3.16Å |
| 968 | E | 68.9 | Low | 71.7 | Confident | 59 Ų | 59 | 41.1 Ų | 41.1 | 28% | 0.276 | 21% | 0.21 | S | C | . | . | trans | -85.4 | 151.6 | -175.6 | -69.1 | -173.4 | -162.8 | 0 | 0 | 113.2 | G859 F970 | G859-E968 VanDerWaalsContact CA-CD 3.49Å; G859-E968 VanDerWaalsContact CA-OE1 3.25Å; G859-E968 WeakPolarHBondContact CA-OE1 3.13Å; G859-E968 VanDerWaalsContact N-CD 3.26Å; G859-E968 PolarHBondContact N-OE1 3.47Å; G859-E968 VanDerWaalsContact N-OE1 3.1Å; G859-E968 PolarHBondContact N-OE2 3.29Å; E968-F970 HydrophobicContact CB-CE2 4.07Å; E968-F970 HydrophobicContact CB-CZ 3.83Å; E968-F970 WeakPolarHBondContact OE2-CZ 3.32Å | ||
| 969 | S | 79.2 | Confident | 71.4 | Confident | 30 Ų | 30 | 36.3 Ų | 36.3 | 21% | 0.21 | 19% | 0.191 | C | C | . | . | trans | -127.4 | 135.1 | 171.8 | 179 | 0 | 0 | 0 | 0 | 110.2 | L881 V883 | L881-S969 VanDerWaalsContact O-CB 3.28Å; L881-S969 WeakPolarHBondContact O-CB 3.47Å; L881-S969 PolarHBondContact O-OG 3.39Å; V883-S969 VanDerWaalsContact CG2-OG 3.23Å; V883-S969 WeakPolarHBondContact CG2-OG 3.27Å; V883-S969 PolarHBondContact N-OG 3.2Å | ||
| 970 | F | 84.3 | Confident | 71.3 | Confident | 11 Ų | 11 | 36.1 Ų | 36.1 | 5% | 0.048 | 19% | 0.194 | C | C | . | . | trans | -108.3 | 141.5 | -176.7 | -58.7 | -77 | 0 | 0 | 0 | 110.5 | P858 T880 E968 L1041 W1048 Q1050 | P858-F970 HydrophobicContact CB-CE1 3.58Å; P858-F970 HydrophobicContact CB-CZ 3.78Å; T880-F970 HydrophobicContact CG2-CD2 4.06Å; E968-F970 HydrophobicContact CB-CE2 4.07Å; E968-F970 HydrophobicContact CB-CZ 3.83Å; E968-F970 WeakPolarHBondContact OE2-CZ 3.32Å; F970-L1041 HydrophobicContact CB-CD2 3.8Å; F970-L1041 HydrophobicContact CD1-CD1 4.36Å; F970-L1041 HydrophobicContact CD1-CD2 3.83Å; F970-L1041 HydrophobicContact CD2-CD1 4.06Å; F970-L1041 HydrophobicContact CD2-CD2 3.44Å; F970-L1041 VanDerWaalsContact CD2-CD2 3.44Å; F970-L1041 HydrophobicContact CD2-CG 4.39Å; F970-L1041 HydrophobicContact CE1-CD1 4.02Å; F970-L1041 HydrophobicContact CE1-CD2 4.33Å; F970-L1041 HydrophobicContact CE2-CD1 3.67Å; F970-L1041 HydrophobicContact CE2-CD2 3.98Å; F970-L1041 HydrophobicContact CE2-CG 4.48Å; F970-L1041 HydrophobicContact CG-CD1 4.39Å; F970-L1041 HydrophobicContact CG-CD2 3.36Å; F970-L1041 HydrophobicContact CZ-CD1 3.66Å; F970-L1041 HydrophobicContact CZ-CD2 4.4Å; F970-W1048 HydrophobicContact CD1-CB 4.02Å; F970-W1048 HydrophobicContact CE1-CB 4.11Å; F970-Q1050 HydrophobicContact CB-CB 3.93Å | ||
| 971 | P | 84.5 | Confident | 71.3 | Confident | 27 Ų | 27 | 32 Ų | 32 | 18% | 0.175 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -67 | 149.4 | 174.6 | 33.3 | -37.3 | 0 | 0 | 0 | 110.2 | W1048 T1049 Q1050 | P971-W1048 VanDerWaalsContact CD-O 3.28Å; P971-W1048 WeakPolarHBondContact CD-O 3.16Å; P971-T1049 HydrophobicContact CG-CG2 4.24Å; P971-T1049 WeakPolarHBondContact O-CG2 3.3Å; P971-Q1050 PolarHBondContact O-N 3.04Å |
| 972 | L | 85.7 | Confident | 71.3 | Confident | 5 Ų | 5 | 35.3 Ų | 35.3 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -80.4 | 149.6 | 164.2 | -57.7 | -172.2 | 0 | 0 | 0 | 109.9 | Y882 Q1050 L1083 D1085 V1088 | Y882-L972 HydrophobicContact CD2-CD1 3.89Å; Y882-L972 HydrophobicContact CD2-CG 3.93Å; Y882-L972 HydrophobicContact CE2-CD1 3.65Å; Y882-L972 HydrophobicContact CE2-CG 3.79Å; L972-Q1050 HydrophobicContact CD2-CB 4.26Å; L972-Q1050 HydrophobicContact CD2-CG 4.49Å; L972-L1083 HydrophobicContact CD2-CB 4.17Å; L972-L1083 HydrophobicContact CD2-CD1 3.62Å; L972-L1083 HydrophobicContact CD2-CG 4.49Å; L972-D1085 HydrophobicContact CB-CB 4.4Å; L972-V1088 HydrophobicContact CD1-CG2 3.84Å |
| 973 | P | 77.3 | Confident | 71.7 | Confident | 5 Ų | 5 | 31.5 Ų | 31.5 | 3% | 0.032 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -73.5 | 153.2 | 176.6 | 34.7 | -39.8 | 0 | 0 | 0 | 110.6 | T1049 Q1050 F1051 L1083 E1084 D1085 | P973-T1049 HydrophobicContact CB-CG2 4.05Å; P973-Q1050 WeakPolarHBondContact CD-O 3.28Å; P973-F1051 HydrophobicContact CB-CD1 3.71Å; P973-F1051 HydrophobicContact CB-CE1 3.55Å; P973-F1051 HydrophobicContact CB-CG 4.45Å; P973-F1051 HydrophobicContact CB-CZ 4.18Å; P973-F1051 HydrophobicContact CG-CD1 3.73Å; P973-F1051 HydrophobicContact CG-CE1 4.11Å; P973-F1051 HydrophobicContact CG-CG 4.3Å; P973-L1083 WeakPolarHBondContact CG-O 3.49Å; P973-E1084 CarbonylContact O-C 3.4Å; P973-E1084 WeakPolarHBondContact O-CA 3.13Å; P973-D1085 PolarHBondContact O-N 3.09Å |
| 974 | Y | 65.2 | Low | 72.3 | Confident | 38 Ų | 38 | 31.5 Ų | 31.5 | 15% | 0.149 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -65 | 146 | 168.7 | -55.9 | -70 | 0 | 0 | 0 | 110.7 | H221 Q264 R885 S976 T977 | H221-Y974 AromaticContact CE1-CD2 3.28Å; H221-Y974 WeakPolarHBondContact CE1-CD2 3.24Å; H221-Y974 AromaticContact CE1-CE2 3.81Å; H221-Y974 AromaticContact CG-CE2 3.92Å; H221-Y974 AromaticContact ND1-CD2 3.54Å; H221-Y974 AromaticContact ND1-CE2 3.67Å; H221-Y974 AromaticContact NE2-CD2 3.76Å; Q264-Y974 VanDerWaalsContact CD-CE1 3.49Å; Q264-Y974 HydrophobicContact CG-CD1 4.38Å; Q264-Y974 HydrophobicContact CG-CE1 4.25Å; Q264-Y974 VanDerWaalsContact NE2-CE1 3.26Å; R885-Y974 PolarHBondContact NH1-OH 2.88Å; R885-Y974 VanDerWaalsContact NH2-CZ 3.35Å; R885-Y974 PolarHBondContact NH2-OH 3.29Å; Y974-S976 PolarHBondContact O-N 3.13Å; Y974-T977 WeakPolarHBondContact O-CA 3.35Å; Y974-T977 WeakPolarHBondContact O-CB 3.35Å; Y974-T977 PolarHBondContact O-N 3.23Å |
| 975 | S | 58.4 | Low | 73.6 | Confident | 17 Ų | 17 | 29.8 Ų | 29.8 | 12% | 0.119 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -12.5 | 178.6 | -50.4 | 0 | 0 | 0 | 0 | 115.9 | H208 K257 E1084 | H208-S975 PolarHBondContact NE2-O 2.84Å; K257-S975 WeakPolarHBondContact CE-OG 3.45Å; K257-S975 PolarHBondContact NZ-OG 2.91Å; S975-E1084 WeakPolarHBondContact CB-OE2 3.25Å; S975-E1084 VanDerWaalsContact OG-CD 3.23Å; S975-E1084 PolarHBondContact OG-OE2 3.33Å |
| 976 | S | 53.1 | Low | 75.3 | Confident | 6 Ų | 6 | 26 Ų | 26 | 4% | 0.042 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -30.7 | 170.3 | 52.1 | 0 | 0 | 0 | 0 | 113 | F206 Y974 | F206-S976 WeakPolarHBondContact CD1-O 3.47Å; Y974-S976 PolarHBondContact O-N 3.13Å |
| 977 | T | 62.7 | Low | 77 | Confident | 9 Ų | 9 | 25.7 Ų | 25.7 | 6% | 0.055 | 17% | 0.167 | C | C | . | . | trans | -95.3 | 126.8 | -166.2 | -52.3 | 0 | 0 | 0 | 0 | 109.8 | P200 H221 Y974 F1051 | P200-T977 HydrophobicContact CG-CG2 3.72Å; H221-T977 PolarHBondContact CE1-OG1 2.98Å; H221-T977 PolarHBondContact NE2-OG1 3.39Å; Y974-T977 WeakPolarHBondContact O-CA 3.35Å; Y974-T977 WeakPolarHBondContact O-CB 3.35Å; Y974-T977 PolarHBondContact O-N 3.23Å; T977-F1051 HydrophobicContact CG2-CE1 3.87Å; T977-F1051 HydrophobicContact CG2-CZ 4Å | ||
| 978 | S | 70.5 | Confident | 77.8 | Confident | 44 Ų | 44 | 25.6 Ų | 25.6 | 31% | 0.308 | 17% | 0.167 | S | C | . | . | trans | -124 | 149.4 | 176.3 | -74.7 | 0 | 0 | 0 | 0 | 111.1 | Y1023 | S978-Y1023 WeakPolarHBondContact CA-OH 3.29Å; S978-Y1023 VanDerWaalsContact CB-OH 3.31Å; S978-Y1023 WeakPolarHBondContact CB-OH 3.42Å; S978-Y1023 PolarHBondContact OG-OH 2.91Å | ||
| 979 | A | 79.5 | Confident | 78.3 | Confident | 9 Ų | 9 | 22.8 Ų | 22.8 | 7% | 0.074 | 15% | 0.154 | C | C | . | . | trans | -64.8 | 147.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | M983 L1003 Y1023 F1051 | A979-M983 HydrophobicContact CB-SD 4.33Å; A979-L1003 HydrophobicContact CB-CD1 3.45Å; A979-L1003 VanDerWaalsContact CB-CD1 3.45Å; A979-Y1023 HydrophobicContact CB-CD1 4.24Å; A979-Y1023 HydrophobicContact CB-CD2 4.46Å; A979-Y1023 HydrophobicContact CB-CE1 3.82Å; A979-Y1023 HydrophobicContact CB-CE2 4.06Å; A979-Y1023 PolarHBondContact N-OH 3.01Å; A979-Y1023 WeakPolarHBondContact O-CE1 3.49Å; A979-F1051 HydrophobicContact CB-CB 3.94Å; A979-F1051 HydrophobicContact CB-CD1 3.8Å; A979-F1051 HydrophobicContact CB-CD2 4.27Å; A979-F1051 HydrophobicContact CB-CE1 4.35Å; A979-F1051 HydrophobicContact CB-CG 3.74Å; A979-F1051 VanDerWaalsContact N-CD1 3.3Å | ||
| 980 | T | 80.7 | Confident | 78.1 | Confident | 51 Ų | 51 | 21.5 Ų | 21.5 | 31% | 0.313 | 14% | 0.144 | S | C | . | . | trans | -129.4 | 157.1 | 179.2 | 72.3 | 0 | 0 | 0 | 0 | 110.7 | G982 M983 | T980-G982 PolarHBondContact O-N 2.86Å; T980-M983 HydrophobicContact CG2-CE 3.95Å; T980-M983 PolarHBondContact N-SD 2.92Å; T980-M983 VanDerWaalsContact N-SD 3.4Å; T980-M983 PolarHBondContact O-N 2.77Å | ||
| 981 | A | 80.8 | Confident | 77.6 | Confident | 37 Ų | 37 | 21.1 Ų | 21.1 | 31% | 0.306 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -11.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | L1003 T1005 | A981-L1003 VanDerWaalsContact CA-O 3.24Å; A981-L1003 WeakPolarHBondContact CA-O 3.5Å; A981-L1003 WeakPolarHBondContact CB-O 3.46Å; A981-T1005 HydrophobicContact CB-CG2 3.88Å |
| 982 | G | 79.7 | Confident | 77 | Confident | 73 Ų | 73 | 25.9 Ų | 25.9 | 75% | 0.753 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | 3.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115 | T980 | T980-G982 PolarHBondContact O-N 2.86Š|
| 983 | M | 84.6 | Confident | 76.2 | Confident | 17 Ų | 17 | 28.7 Ų | 28.7 | 8% | 0.084 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -85.6 | 137.2 | 174.2 | -68 | 170 | -173 | 0 | 0 | 109.9 | P200 A979 T980 C985 C1042 | P200-M983 HydrophobicContact CB-CE 3.37Å; P200-M983 HydrophobicContact CB-SD 4.32Å; A979-M983 HydrophobicContact CB-SD 4.33Å; T980-M983 HydrophobicContact CG2-CE 3.95Å; T980-M983 PolarHBondContact N-SD 2.92Å; T980-M983 VanDerWaalsContact N-SD 3.4Å; T980-M983 PolarHBondContact O-N 2.77Å; M983-C985 PolarHBondContact O-N 2.69Å; M983-C1042 HydrophobicContact CB-CB 4.29Å |
| 984 | P | 86.3 | Confident | 75.6 | Confident | 50 Ų | 50 | 28.8 Ų | 28.8 | 33% | 0.325 | 18% | 0.178 | S | C | . | . | trans | -69.9 | 117.5 | 169.5 | 30.3 | -31.7 | 0 | 0 | 0 | 107.9 | Y986 C1042 E1043 | P984-Y986 HydrophobicContact CB-CE2 4.42Å; P984-C1042 WeakPolarHBondContact O-CA 3.32Å; P984-E1043 HydrophobicContact CG-CB 3.72Å; P984-E1043 PolarHBondContact O-N 3.33Å | ||
| 985 | C | 90.3 | Very high | 75.5 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 141 | -178.2 | -60.6 | 0 | 0 | 0 | 0 | 110.2 | M983 H1000 Y1001 L1003 L1040 L1041 C1042 | M983-C985 PolarHBondContact O-N 2.69Å; C985-H1000 PolarHBondContact O-CD2 3.31Å; C985-Y1001 PolarHBondContact O-N 3.13Å; C985-L1003 HydrophobicContact CB-CG 4.35Å; C985-L1003 WeakPolarHBondContact SG-CD1 3.12Å; C985-L1040 HydrophobicContact CB-CD1 3.95Å; C985-L1041 CarbonylContact C-O 3.59Å; C985-L1041 WeakPolarHBondContact CA-O 3.22Å; C985-C1042 HydrophobicContact CB-CB 4.08Å; C985-C1042 WeakPolarHBondContact CB-SG 3.11Å; C985-C1042 WeakPolarHBondContact SG-CB 3.31Å; C985-C1042 CovalentContact SG-SG 2.04Å; C985-C1042 PolarHBondContact SG-SG 2.8Å |
| 986 | Y | 90.2 | Very high | 76 | Confident | 47 Ų | 47 | 28.7 Ų | 28.7 | 18% | 0.184 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 144.8 | 178.4 | -66.4 | -99.8 | 0 | 0 | 0 | 109.7 | L857 P984 R998 I999 H1000 L1041 W1048 | L857-Y986 HydrophobicContact CD2-CE2 4.22Å; P984-Y986 HydrophobicContact CB-CE2 4.42Å; Y986-R998 HydrophobicContact CD1-CB 4.18Å; Y986-R998 HydrophobicContact CD1-CG 4.3Å; Y986-I999 CarbonylContact C-O 3.53Å; Y986-I999 WeakPolarHBondContact CA-O 3.25Å; Y986-H1000 HydrophobicContact CD1-CB 4.08Å; Y986-H1000 HydrophobicContact CE1-CB 3.79Å; Y986-L1041 PolarHBondContact N-O 3.4Å; Y986-L1041 PolarHBondContact O-N 2.89Å; Y986-W1048 AromaticContact CD2-CH2 3.72Å; Y986-W1048 HydrophobicContact CD2-CH2 3.72Å; Y986-W1048 AromaticContact CD2-CZ3 3.74Å; Y986-W1048 HydrophobicContact CD2-CZ3 3.74Å; Y986-W1048 AromaticContact CE2-CH2 3.75Å; Y986-W1048 HydrophobicContact CE2-CH2 3.75Å; Y986-W1048 HydrophobicContact CE2-CZ3 4.22Å |
| 987 | V | 89.7 | Confident | 76.9 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 128.7 | 165.3 | -176.5 | 0 | 0 | 0 | 0 | 107.4 | R998 I999 Y1001 L1032 S1038 P1039 L1040 Y1054 F1080 | V987-R998 WeakPolarHBondContact O-CA 3.18Å; V987-I999 PolarHBondContact N-O 3.07Å; V987-I999 PolarHBondContact O-N 3.04Å; V987-Y1001 HydrophobicContact CB-CD2 3.88Å; V987-Y1001 HydrophobicContact CB-CE2 3.79Å; V987-Y1001 HydrophobicContact CG2-CD2 3.34Å; V987-Y1001 HydrophobicContact CG2-CE2 3.54Å; V987-Y1001 HydrophobicContact CG2-CG 3.88Å; V987-L1032 HydrophobicContact CB-CD1 4.08Å; V987-L1032 HydrophobicContact CG1-CD1 3.55Å; V987-S1038 VanDerWaalsContact CG1-CB 3.48Å; V987-P1039 WeakPolarHBondContact CA-O 3.31Å; V987-L1040 HydrophobicContact CG2-CD1 4.11Å; V987-Y1054 HydrophobicContact CG1-CD2 4.19Å; V987-Y1054 HydrophobicContact CG2-CD2 4.42Å; V987-F1080 HydrophobicContact CG2-CE1 3.47Å; V987-F1080 VanDerWaalsContact CG2-CE1 3.47Å; V987-F1080 HydrophobicContact CG2-CZ 3.7Å |
| 988 | S | 82.7 | Confident | 77.6 | Confident | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 145.1 | -179.9 | -179.3 | 0 | 0 | 0 | 0 | 111.9 | A860 S861 S1038 P1039 | A860-S988 WeakPolarHBondContact CA-OG 3.43Å; S861-S988 PolarHBondContact N-OG 3.37Å; S988-S1038 VanDerWaalsContact O-CB 3.22Å; S988-S1038 WeakPolarHBondContact O-CB 3.45Å; S988-S1038 PolarHBondContact O-OG 3.04Å; S988-S1038 VanDerWaalsContact O-OG 3.06Å; S988-P1039 PolarHBondContact N-O 2.69Å |
| 989 | G | 79.5 | Confident | 78.2 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.6 | -142.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | V997 L1032 | G989-V997 PolarHBondContact N-O 2.84Å; G989-V997 PolarHBondContact O-N 2.83Å; G989-V997 VanDerWaalsContact O-O 3.13Å; G989-L1032 VanDerWaalsContact C-CD2 3.43Å; G989-L1032 VanDerWaalsContact CA-CD2 3.45Å |
| 990 | V | 74.1 | Confident | 78.6 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.012 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 141.3 | -174.5 | 165 | 0 | 0 | 0 | 0 | 110.6 | H864 L916 M995 K1033 | H864-V990 VanDerWaalsContact CE1-CG2 3.49Å; H864-V990 WeakPolarHBondContact CE1-CG2 3.48Å; H864-V990 VanDerWaalsContact NE2-CG2 3.3Å; H864-V990 WeakPolarHBondContact NE2-CG2 3.33Å; L916-V990 HydrophobicContact CD1-CB 4.42Å; L916-V990 HydrophobicContact CD1-CG1 3.8Å; L916-V990 HydrophobicContact CG-CG1 4.31Å; V990-M995 VanDerWaalsContact CA-O 3.3Å; V990-M995 WeakPolarHBondContact CA-O 3.21Å; V990-K1033 WeakPolarHBondContact O-CB 3.5Å; V990-K1033 PolarHBondContact O-N 3.01Å |
| 991 | C | 73.6 | Confident | 79 | Confident | 3 Ų | 3 | 29.3 Ų | 29.3 | 2% | 0.02 | 17% | 0.168 | C | C | . | . | trans | -82.8 | 178.2 | 176.6 | 63.9 | 0 | 0 | 0 | 0 | 112.6 | H993 G994 M995 V997 I1031 | C991-H993 PolarHBondContact O-N 2.84Å; C991-H993 VanDerWaalsContact O-N 3.1Å; C991-G994 PolarHBondContact O-N 3.01Å; C991-M995 PolarHBondContact N-O 2.84Å; C991-M995 VanDerWaalsContact N-O 3.07Å; C991-V997 HydrophobicContact CB-CG1 3.85Å; C991-V997 HydrophobicContact CB-CG2 3.96Å; C991-I1031 WeakPolarHBondContact CA-O 3.29Å; C991-I1031 WeakPolarHBondContact CB-O 3.37Å | ||
| 992 | E | 73.4 | Confident | 79.5 | Confident | 128 Ų | 128 | 33.1 Ų | 33.1 | 60% | 0.598 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -34 | 176 | 67.6 | -170.6 | 156.2 | 0 | 0 | 112.9 | G994 | E992-G994 PolarHBondContact O-N 3.1Š|
| 993 | H | 67.7 | Low | 80.1 | Confident | 63 Ų | 63 | 29.8 Ų | 29.8 | 29% | 0.292 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | 8.6 | 177.2 | -56.4 | 101.1 | 0 | 0 | 0 | 114.5 | R918 C991 M995 | R918-H993 PolarHBondContact NE-O 2.95Å; R918-H993 PolarHBondContact NH2-O 3.25Å; C991-H993 PolarHBondContact O-N 2.84Å; C991-H993 VanDerWaalsContact O-N 3.1Å; H993-M995 HydrophobicContact CB-CG 4.38Å; H993-M995 PolarHBondContact O-N 3.24Å |
| 994 | G | 64.6 | Low | 80.2 | Confident | 8 Ų | 8 | 30 Ų | 30 | 8% | 0.082 | 15% | 0.146 | C | C | . | . | S | Bend | trans | 67.6 | 5.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L916 C991 E992 | L916-G994 PolarHBondContact N-O 3.13Å; C991-G994 PolarHBondContact O-N 3.01Å; E992-G994 PolarHBondContact O-N 3.1Å |
| 995 | M | 64 | Low | 80 | Confident | 51 Ų | 51 | 30.2 Ų | 30.2 | 25% | 0.251 | 15% | 0.146 | S | C | . | . | trans | -91.9 | 145.3 | -179.4 | -65.2 | -61.6 | -70 | 0 | 0 | 111.4 | L915 V990 C991 H993 V997 | L915-M995 HydrophobicContact CD2-CE 4.12Å; L915-M995 HydrophobicContact CD2-SD 3.75Å; V990-M995 VanDerWaalsContact CA-O 3.3Å; V990-M995 WeakPolarHBondContact CA-O 3.21Å; C991-M995 PolarHBondContact N-O 2.84Å; C991-M995 VanDerWaalsContact N-O 3.07Å; H993-M995 HydrophobicContact CB-CG 4.38Å; H993-M995 PolarHBondContact O-N 3.24Å; M995-V997 PolarHBondContact O-N 3.22Å | ||
| 996 | P | 67.5 | Low | 79.3 | Confident | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.013 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 126.1 | 174.8 | 25.7 | -32.1 | 0 | 0 | 0 | 111.3 | I779 A860 S914 | I779-P996 HydrophobicContact CB-CB 4.44Å; I779-P996 HydrophobicContact CB-CG 4.49Å; I779-P996 PolarHBondContact N-O 3.4Å; A860-P996 HydrophobicContact CB-CB 3.3Å; S914-P996 VanDerWaalsContact O-CD 3.31Å; S914-P996 WeakPolarHBondContact O-CD 3.4Å; S914-P996 WeakPolarHBondContact O-CG 3.46Å |
| 997 | V | 73.1 | Confident | 78.4 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 158.3 | -179.3 | -61.3 | 0 | 0 | 0 | 0 | 111.8 | G989 C991 M995 I1031 L1032 | G989-V997 PolarHBondContact N-O 2.84Å; G989-V997 PolarHBondContact O-N 2.83Å; G989-V997 VanDerWaalsContact O-O 3.13Å; C991-V997 HydrophobicContact CB-CG1 3.85Å; C991-V997 HydrophobicContact CB-CG2 3.96Å; M995-V997 PolarHBondContact O-N 3.22Å; V997-I1031 HydrophobicContact CG2-CG2 4.42Å; V997-L1032 HydrophobicContact CG2-CD2 3.66Å; V997-L1032 HydrophobicContact CG2-CG 4.39Å |
| 998 | R | 78.3 | Confident | 78.1 | Confident | 35 Ų | 35 | 39.5 Ų | 39.5 | 13% | 0.132 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 133.3 | 169.1 | 55 | 175.8 | 172.8 | -111 | -8 | 110.1 | E777 I779 L857 P858 Y986 V987 | E777-R998 HydrophobicContact CB-CG 4.42Å; E777-R998 IonicContact OE2-CZ 3.33Å; E777-R998 IonicContact OE2-NE 3.81Å; E777-R998 PolarHBondContact OE2-NE 3.43Å; E777-R998 IonicContact OE2-NH2 3.52Å; E777-R998 PolarHBondContact OE2-NH2 3.27Å; I779-R998 HydrophobicContact CD1-CB 4.35Å; I779-R998 HydrophobicContact CD1-CG 4.14Å; I779-R998 HydrophobicContact CG1-CG 4.47Å; L857-R998 VanDerWaalsContact CB-CZ 3.42Å; L857-R998 VanDerWaalsContact CB-NH1 3.26Å; P858-R998 PolarHBondContact O-NH1 3.28Å; Y986-R998 HydrophobicContact CD1-CB 4.18Å; Y986-R998 HydrophobicContact CD1-CG 4.3Å; V987-R998 WeakPolarHBondContact O-CA 3.18Å |
| 999 | I | 82.3 | Confident | 78.1 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 131.9 | 174.5 | -54.5 | 175 | 0 | 0 | 0 | 108.4 | Y986 V987 Y1001 Q1028 I1031 L1032 | Y986-I999 CarbonylContact C-O 3.53Å; Y986-I999 WeakPolarHBondContact CA-O 3.25Å; V987-I999 PolarHBondContact N-O 3.07Å; V987-I999 PolarHBondContact O-N 3.04Å; I999-Y1001 HydrophobicContact CB-CD2 4.27Å; I999-Y1001 HydrophobicContact CB-CE2 3.86Å; I999-Y1001 HydrophobicContact CG2-CD2 4.02Å; I999-Y1001 HydrophobicContact CG2-CE2 3.63Å; I999-Q1028 HydrophobicContact CG2-CB 4.14Å; I999-I1031 HydrophobicContact CD1-CB 3.58Å; I999-I1031 HydrophobicContact CD1-CG2 3.79Å; I999-I1031 HydrophobicContact CG1-CB 4.08Å; I999-I1031 HydrophobicContact CG1-CG2 3.78Å; I999-L1032 HydrophobicContact CD1-CB 4.06Å; I999-L1032 HydrophobicContact CD1-CD1 3.73Å; I999-L1032 HydrophobicContact CD1-CG 3.54Å; I999-L1032 HydrophobicContact CG1-CD1 4.27Å; I999-L1032 HydrophobicContact CG1-CG 4.14Å |
| 1000 | H | 86.7 | Confident | 77.9 | Confident | 91 Ų | 91 | 41.6 Ų | 41.6 | 42% | 0.421 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 131.4 | 171.5 | 176.3 | -96.3 | 0 | 0 | 0 | 111.5 | C985 Y986 | C985-H1000 PolarHBondContact O-CD2 3.31Å; Y986-H1000 HydrophobicContact CD1-CB 4.08Å; Y986-H1000 HydrophobicContact CE1-CB 3.79Å |
| 1001 | Y | 90.5 | Very high | 78.1 | Confident | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.016 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 120.2 | 173.7 | -84.9 | -104.1 | 0 | 0 | 0 | 110.7 | C985 V987 I999 L1003 V1026 Y1054 E1076 A1078 F1080 | C985-Y1001 PolarHBondContact O-N 3.13Å; V987-Y1001 HydrophobicContact CB-CD2 3.88Å; V987-Y1001 HydrophobicContact CB-CE2 3.79Å; V987-Y1001 HydrophobicContact CG2-CD2 3.34Å; V987-Y1001 HydrophobicContact CG2-CE2 3.54Å; V987-Y1001 HydrophobicContact CG2-CG 3.88Å; I999-Y1001 HydrophobicContact CB-CD2 4.27Å; I999-Y1001 HydrophobicContact CB-CE2 3.86Å; I999-Y1001 HydrophobicContact CG2-CD2 4.02Å; I999-Y1001 HydrophobicContact CG2-CE2 3.63Å; Y1001-L1003 PolarHBondContact O-N 3.26Å; Y1001-V1026 CarbonylContact C-O 3.59Å; Y1001-V1026 WeakPolarHBondContact CA-O 3.4Å; Y1001-Y1054 HydrophobicContact CE1-CE2 4.38Å; Y1001-E1076 PolarHBondContact OH-OE1 3.07Å; Y1001-A1078 HydrophobicContact CD1-CB 4.21Å; Y1001-A1078 HydrophobicContact CE1-CB 3.59Å; Y1001-F1080 HydrophobicContact CD1-CE2 4.07Å; Y1001-F1080 AromaticContact CD1-CZ 3.67Å; Y1001-F1080 HydrophobicContact CD1-CZ 3.67Å; Y1001-F1080 AromaticContact CE1-CZ 3.98Å; Y1001-F1080 HydrophobicContact CE1-CZ 3.98Å; Y1001-F1080 HydrophobicContact CG-CZ 4.06Å |
| 1002 | Q | 91 | Very high | 78.3 | Confident | 116 Ų | 116 | 51.4 Ų | 51.4 | 54% | 0.542 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 108.4 | 171.9 | -175.3 | 176.3 | 16.6 | 0 | 0 | 109.6 | G1025 V1026 | Q1002-G1025 CarbonylContact O-C 3.56Å; Q1002-G1025 WeakPolarHBondContact O-CA 3.4Å; Q1002-V1026 PolarHBondContact N-O 3.43Å; Q1002-V1026 PolarHBondContact O-N 3Å |
| 1003 | L | 91.1 | Very high | 78.6 | Confident | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 142.9 | 174.7 | -67.8 | -174.5 | 0 | 0 | 0 | 111.7 | A979 A981 C985 Y1001 L1040 F1080 | A979-L1003 HydrophobicContact CB-CD1 3.45Å; A979-L1003 VanDerWaalsContact CB-CD1 3.45Å; A981-L1003 VanDerWaalsContact CA-O 3.24Å; A981-L1003 WeakPolarHBondContact CA-O 3.5Å; A981-L1003 WeakPolarHBondContact CB-O 3.46Å; C985-L1003 HydrophobicContact CB-CG 4.35Å; C985-L1003 WeakPolarHBondContact SG-CD1 3.12Å; Y1001-L1003 PolarHBondContact O-N 3.26Å; L1003-L1040 HydrophobicContact CD1-CD2 4.37Å; L1003-L1040 HydrophobicContact CD2-CD1 4.4Å; L1003-L1040 HydrophobicContact CD2-CD2 4.03Å; L1003-F1080 HydrophobicContact CD2-CD2 4.37Å; L1003-F1080 HydrophobicContact CD2-CE2 4.39Å |
| 1004 | L | 88.6 | Confident | 79.1 | Confident | 22 Ų | 22 | 45.2 Ų | 45.2 | 12% | 0.115 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -98.1 | 153.8 | 176.6 | -62.1 | -173.5 | 0 | 0 | 0 | 111 | Q1008 C1024 V1026 | L1004-Q1008 HydrophobicContact CB-CB 4.02Å; L1004-Q1008 HydrophobicContact CD1-CB 4.43Å; L1004-C1024 PolarHBondContact N-O 3.09Å; L1004-V1026 HydrophobicContact CD1-CG2 3.98Å; L1004-V1026 HydrophobicContact CD2-CG2 4.16Å; L1004-V1026 HydrophobicContact CG-CG2 4.17Å |
| 1005 | T | 80.4 | Confident | 79.1 | Confident | 53 Ų | 53 | 52.8 Ų | 52.8 | 33% | 0.325 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 153.4 | 172.4 | 62.6 | 0 | 0 | 0 | 0 | 110.8 | A981 T1007 Q1008 C1009 | A981-T1005 HydrophobicContact CB-CG2 3.88Å; T1005-T1007 PolarHBondContact O-N 3.1Å; T1005-Q1008 PolarHBondContact O-N 2.93Å; T1005-Q1008 WeakPolarHBondContact OG1-CG 3.31Å; T1005-Q1008 PolarHBondContact OG1-N 3.14Å; T1005-Q1008 PolarHBondContact OG1-OE1 2.95Å; T1005-C1009 PolarHBondContact O-N 3.04Å; T1005-C1009 PolarHBondContact O-SG 2.94Å |
| 1006 | P | 76 | Confident | 79.3 | Confident | 74 Ų | 74 | 55.1 Ų | 55.1 | 48% | 0.481 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -52.4 | -32.5 | 178.1 | -29.8 | 36.8 | 0 | 0 | 0 | 114.3 | A1010 Y1017 P1019 | P1006-A1010 WeakPolarHBondContact O-CB 3.45Å; P1006-A1010 PolarHBondContact O-N 3.22Å; P1006-Y1017 HydrophobicContact CB-CE1 4.04Å; P1006-Y1017 WeakPolarHBondContact O-CE1 2.86Å; P1006-P1019 HydrophobicContact CB-CB 4.32Å |
| 1007 | T | 72.1 | Confident | 79.7 | Confident | 95 Ų | 95 | 55.6 Ų | 55.6 | 58% | 0.583 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -67.3 | -46.4 | 174.6 | -46 | 0 | 0 | 0 | 0 | 112.1 | T1005 A1010 Q1011 | T1005-T1007 PolarHBondContact O-N 3.1Å; T1007-A1010 PolarHBondContact O-N 2.87Å; T1007-Q1011 WeakPolarHBondContact O-CB 3.31Å; T1007-Q1011 VanDerWaalsContact O-CG 3.26Å; T1007-Q1011 WeakPolarHBondContact O-CG 3.28Å; T1007-Q1011 PolarHBondContact O-N 2.88Å |
| 1008 | Q | 83 | Confident | 79.6 | Confident | 73 Ų | 73 | 56.2 Ų | 56.2 | 34% | 0.341 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 175.6 | -71.9 | 163.2 | -53.3 | 0 | 0 | 111.3 | L1004 T1005 A1010 Q1011 H1012 | L1004-Q1008 HydrophobicContact CB-CB 4.02Å; L1004-Q1008 HydrophobicContact CD1-CB 4.43Å; T1005-Q1008 PolarHBondContact O-N 2.93Å; T1005-Q1008 WeakPolarHBondContact OG1-CG 3.31Å; T1005-Q1008 PolarHBondContact OG1-N 3.14Å; T1005-Q1008 PolarHBondContact OG1-OE1 2.95Å; Q1008-A1010 VanDerWaalsContact C-N 3.35Å; Q1008-A1010 PolarHBondContact O-N 2.86Å; Q1008-Q1011 WeakPolarHBondContact O-CB 3.4Å; Q1008-Q1011 PolarHBondContact O-N 2.99Å; Q1008-H1012 PolarHBondContact O-CD2 2.93Å; Q1008-H1012 PolarHBondContact O-N 2.97Å |
| 1009 | C | 82.4 | Confident | 79.1 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56.6 | -48.6 | 173.2 | -58.9 | 0 | 0 | 0 | 0 | 111.2 | T1005 Q1011 H1012 L1013 Y1017 C1024 | T1005-C1009 PolarHBondContact O-N 3.04Å; T1005-C1009 PolarHBondContact O-SG 2.94Å; C1009-Q1011 VanDerWaalsContact C-N 3.34Å; C1009-Q1011 PolarHBondContact O-N 2.95Å; C1009-H1012 PolarHBondContact O-N 3.12Å; C1009-L1013 WeakPolarHBondContact O-CB 3.24Å; C1009-L1013 WeakPolarHBondContact O-CG 3.38Å; C1009-L1013 PolarHBondContact O-N 2.94Å; C1009-Y1017 HydrophobicContact CB-CD1 3.41Å; C1009-Y1017 VanDerWaalsContact CB-CD1 3.41Å; C1009-Y1017 HydrophobicContact CB-CD2 3.69Å; C1009-Y1017 HydrophobicContact CB-CE1 3.36Å; C1009-Y1017 HydrophobicContact CB-CE2 3.65Å; C1009-Y1017 HydrophobicContact CB-CG 3.58Å; C1009-Y1017 VanDerWaalsContact CB-CZ 3.49Å; C1009-C1024 HydrophobicContact CB-CB 4.15Å; C1009-C1024 VanDerWaalsContact SG-CB 3.54Å; C1009-C1024 VanDerWaalsContact SG-SG 3.62Å |
| 1010 | A | 76.2 | Confident | 78.1 | Confident | 47 Ų | 47 | 59.3 Ų | 59.3 | 39% | 0.388 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.7 | -35.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | P1006 T1007 Q1008 G1014 Y1017 | P1006-A1010 WeakPolarHBondContact O-CB 3.45Å; P1006-A1010 PolarHBondContact O-N 3.22Å; T1007-A1010 PolarHBondContact O-N 2.87Å; Q1008-A1010 VanDerWaalsContact C-N 3.35Å; Q1008-A1010 PolarHBondContact O-N 2.86Å; A1010-G1014 VanDerWaalsContact O-CA 3.24Å; A1010-G1014 WeakPolarHBondContact O-CA 3.39Å; A1010-G1014 PolarHBondContact O-N 2.92Å; A1010-Y1017 HydrophobicContact CB-CD1 4.4Å |
| 1011 | Q | 78.2 | Confident | 77.3 | Confident | 142 Ų | 142 | 56.3 Ų | 56.3 | 66% | 0.664 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -64.8 | -41.2 | 174.4 | -76.1 | 167.9 | -23.1 | 0 | 0 | 112.6 | T1007 Q1008 C1009 | T1007-Q1011 WeakPolarHBondContact O-CB 3.31Å; T1007-Q1011 VanDerWaalsContact O-CG 3.26Å; T1007-Q1011 WeakPolarHBondContact O-CG 3.28Å; T1007-Q1011 PolarHBondContact O-N 2.88Å; Q1008-Q1011 WeakPolarHBondContact O-CB 3.4Å; Q1008-Q1011 PolarHBondContact O-N 2.99Å; C1009-Q1011 VanDerWaalsContact C-N 3.34Å; C1009-Q1011 PolarHBondContact O-N 2.95Å |
| 1012 | H | 78.4 | Confident | 76.9 | Confident | 69 Ų | 69 | 56.1 Ų | 56.1 | 32% | 0.319 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -83 | -32.9 | -178.7 | -65 | -55.4 | 0 | 0 | 0 | 113.8 | Q1008 C1009 M1062 I1077 | Q1008-H1012 PolarHBondContact O-CD2 2.93Å; Q1008-H1012 PolarHBondContact O-N 2.97Å; C1009-H1012 PolarHBondContact O-N 3.12Å; H1012-M1062 WeakPolarHBondContact CE1-CE 3.41Å; H1012-M1062 WeakPolarHBondContact NE2-CE 3.5Å; H1012-I1077 HydrophobicContact CB-CD1 4.1Å |
| 1013 | L | 79.3 | Confident | 76.9 | Confident | 22 Ų | 22 | 51.4 Ų | 51.4 | 12% | 0.115 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -113.5 | -13.7 | -167.8 | -53.2 | -173.1 | 0 | 0 | 0 | 114.2 | C1009 K1016 Y1017 C1024 L1058 I1077 L1079 | C1009-L1013 WeakPolarHBondContact O-CB 3.24Å; C1009-L1013 WeakPolarHBondContact O-CG 3.38Å; C1009-L1013 PolarHBondContact O-N 2.94Å; L1013-K1016 WeakPolarHBondContact O-CB 3.38Å; L1013-K1016 PolarHBondContact O-N 3.25Å; L1013-Y1017 HydrophobicContact CD1-CD2 4.5Å; L1013-C1024 HydrophobicContact CD1-CB 3.94Å; L1013-L1058 HydrophobicContact CD1-CD1 4.24Å; L1013-L1058 HydrophobicContact CD2-CD1 3.46Å; L1013-L1058 VanDerWaalsContact CD2-CD1 3.46Å; L1013-L1058 HydrophobicContact CG-CD1 4.41Å; L1013-I1077 HydrophobicContact CD2-CG2 4.27Å; L1013-L1079 HydrophobicContact CD1-CD1 4.41Å; L1013-L1079 HydrophobicContact CD1-CD2 3.76Å; L1013-L1079 HydrophobicContact CD1-CG 4.09Å |
| 1014 | G | 77.1 | Confident | 76.9 | Confident | 40 Ų | 40 | 51.2 Ų | 51.2 | 41% | 0.412 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | 56.2 | -138.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1010 K1016 Y1017 | A1010-G1014 VanDerWaalsContact O-CA 3.24Å; A1010-G1014 WeakPolarHBondContact O-CA 3.39Å; A1010-G1014 PolarHBondContact O-N 2.92Å; G1014-K1016 PolarHBondContact O-N 3.23Å; G1014-K1016 VanDerWaalsContact O-N 3.14Å; G1014-Y1017 PolarHBondContact O-N 3.18Å |
| 1015 | E | 65.6 | Low | 77 | Confident | 167 Ų | 167 | 50.2 Ų | 50.2 | 78% | 0.78 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -64.2 | -15.2 | -179 | -56.6 | -168.6 | 144 | 0 | 0 | 114.1 | Y1017 | E1015-Y1017 PolarHBondContact O-N 2.94Š|
| 1016 | K | 67.4 | Low | 77.4 | Confident | 99 Ų | 99 | 48.6 Ų | 48.6 | 43% | 0.43 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -72.2 | -11.2 | 176.1 | -57.5 | -161.8 | -179.5 | -124.6 | 0 | 113.3 | E946 L1013 G1014 | E946-K1016 IonicContact OE1-NZ 3.15Å; E946-K1016 PolarHBondContact OE1-NZ 2.98Å; E946-K1016 IonicContact OE2-NZ 2.97Å; E946-K1016 PolarHBondContact OE2-NZ 2.85Å; L1013-K1016 WeakPolarHBondContact O-CB 3.38Å; L1013-K1016 PolarHBondContact O-N 3.25Å; G1014-K1016 PolarHBondContact O-N 3.23Å; G1014-K1016 VanDerWaalsContact O-N 3.14Å |
| 1017 | Y | 76.2 | Confident | 77.9 | Confident | 12 Ų | 12 | 45.3 Ų | 45.3 | 5% | 0.047 | 25% | 0.245 | C | C | . | . | trans | -99.2 | 118.9 | 174.2 | 174.5 | -111.2 | 0 | 0 | 0 | 111.7 | P1006 C1009 A1010 L1013 G1014 E1015 P1019 M1022 C1024 L1079 | P1006-Y1017 HydrophobicContact CB-CE1 4.04Å; P1006-Y1017 WeakPolarHBondContact O-CE1 2.86Å; C1009-Y1017 HydrophobicContact CB-CD1 3.41Å; C1009-Y1017 VanDerWaalsContact CB-CD1 3.41Å; C1009-Y1017 HydrophobicContact CB-CD2 3.69Å; C1009-Y1017 HydrophobicContact CB-CE1 3.36Å; C1009-Y1017 HydrophobicContact CB-CE2 3.65Å; C1009-Y1017 HydrophobicContact CB-CG 3.58Å; C1009-Y1017 VanDerWaalsContact CB-CZ 3.49Å; A1010-Y1017 HydrophobicContact CB-CD1 4.4Å; L1013-Y1017 HydrophobicContact CD1-CD2 4.5Å; G1014-Y1017 PolarHBondContact O-N 3.18Å; E1015-Y1017 PolarHBondContact O-N 2.94Å; Y1017-P1019 HydrophobicContact CD1-CB 4.49Å; Y1017-P1019 HydrophobicContact CE1-CB 3.68Å; Y1017-P1019 HydrophobicContact CE1-CG 4.36Å; Y1017-P1019 WeakPolarHBondContact O-CD 3.4Å; Y1017-M1022 HydrophobicContact CD2-CB 4.02Å; Y1017-M1022 HydrophobicContact CD2-SD 4.33Å; Y1017-M1022 HydrophobicContact CE2-CB 3.87Å; Y1017-M1022 VanDerWaalsContact CE2-O 3.32Å; Y1017-M1022 WeakPolarHBondContact CE2-O 3.43Å; Y1017-M1022 PolarHBondContact OH-O 2.98Å; Y1017-C1024 HydrophobicContact CD2-CB 4.37Å; Y1017-C1024 HydrophobicContact CE2-CB 4.37Å; Y1017-L1079 HydrophobicContact CD2-CD2 4.19Å | ||
| 1018 | L | 71.9 | Confident | 78.3 | Confident | 13 Ų | 13 | 42.9 Ų | 42.9 | 7% | 0.068 | 23% | 0.227 | C | C | . | . | trans | -104.3 | 98.2 | 176.6 | -61.6 | -179.7 | 0 | 0 | 0 | 110.1 | Y941 L947 N1020 V1021 M1022 | Y941-L1018 HydrophobicContact CD2-CD1 4.5Å; Y941-L1018 HydrophobicContact CE2-CD1 3.85Å; L947-L1018 HydrophobicContact CD1-CD1 3.7Å; L947-L1018 HydrophobicContact CD2-CD1 3.73Å; L947-L1018 HydrophobicContact CG-CD1 4.39Å; L1018-N1020 PolarHBondContact O-N 3.12Å; L1018-V1021 HydrophobicContact CB-CG2 3.54Å; L1018-V1021 HydrophobicContact CD1-CG2 3.92Å; L1018-V1021 HydrophobicContact CG-CG2 4.41Å; L1018-V1021 PolarHBondContact O-N 3.1Å; L1018-M1022 HydrophobicContact CB-CE 3.96Å; L1018-M1022 HydrophobicContact CB-CG 4.47Å; L1018-M1022 HydrophobicContact CB-SD 3.97Å; L1018-M1022 HydrophobicContact CD1-CE 3.92Å; L1018-M1022 HydrophobicContact CG-CE 3.85Å; L1018-M1022 HydrophobicContact CG-SD 4.37Å; L1018-M1022 PolarHBondContact N-SD 3.32Å; L1018-M1022 PolarHBondContact O-N 3.24Å | ||
| 1019 | P | 67.3 | Low | 78 | Confident | 36 Ų | 36 | 42.1 Ų | 42.1 | 23% | 0.234 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -22.5 | -172.9 | 22.6 | -34 | 0 | 0 | 0 | 114.2 | P1006 Y1017 K1082 | P1006-P1019 HydrophobicContact CB-CB 4.32Å; Y1017-P1019 HydrophobicContact CD1-CB 4.49Å; Y1017-P1019 HydrophobicContact CE1-CB 3.68Å; Y1017-P1019 HydrophobicContact CE1-CG 4.36Å; Y1017-P1019 WeakPolarHBondContact O-CD 3.4Å; P1019-K1082 WeakPolarHBondContact O-CE 3.15Å; P1019-K1082 PolarHBondContact O-NZ 3.25Å |
| 1020 | N | 60.7 | Low | 77.6 | Confident | 67 Ų | 67 | 48.6 Ų | 48.6 | 36% | 0.358 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -21.4 | 179 | -66.6 | -28.1 | 0 | 0 | 0 | 113.3 | P524 L1018 | P524-N1020 PolarHBondContact O-ND2 2.96Å; L1018-N1020 PolarHBondContact O-N 3.12Å |
| 1021 | V | 70.6 | Confident | 77.7 | Confident | 27 Ų | 27 | 47.5 Ų | 47.5 | 16% | 0.164 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -133.2 | -4.8 | -174.5 | -63.1 | 0 | 0 | 0 | 0 | 115.1 | L940 Y941 L1018 K1082 | L940-V1021 HydrophobicContact CD1-CB 4.34Å; L940-V1021 HydrophobicContact CD2-CG1 4.47Å; Y941-V1021 HydrophobicContact CE2-CG2 4.25Å; L1018-V1021 HydrophobicContact CB-CG2 3.54Å; L1018-V1021 HydrophobicContact CD1-CG2 3.92Å; L1018-V1021 HydrophobicContact CG-CG2 4.41Å; L1018-V1021 PolarHBondContact O-N 3.1Å; V1021-K1082 PolarHBondContact O-N 2.05Å |
| 1022 | M | 82 | Confident | 77.8 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 144.1 | 179.7 | -61.5 | 162.5 | -171 | 0 | 0 | 113.4 | L947 M950 Y1017 L1018 L1079 F1080 K1082 | L947-M1022 HydrophobicContact CD2-CE 4.11Å; M950-M1022 HydrophobicContact CE-CE 3.49Å; M950-M1022 VanDerWaalsContact CE-CE 3.49Å; M950-M1022 HydrophobicContact CE-CG 4.17Å; M950-M1022 HydrophobicContact CE-SD 4.41Å; M950-M1022 HydrophobicContact SD-CE 3.44Å; M950-M1022 WeakPolarHBondContact SD-CE 3.4Å; Y1017-M1022 HydrophobicContact CD2-CB 4.02Å; Y1017-M1022 HydrophobicContact CD2-SD 4.33Å; Y1017-M1022 HydrophobicContact CE2-CB 3.87Å; Y1017-M1022 VanDerWaalsContact CE2-O 3.32Å; Y1017-M1022 WeakPolarHBondContact CE2-O 3.43Å; Y1017-M1022 PolarHBondContact OH-O 2.98Å; L1018-M1022 HydrophobicContact CB-CE 3.96Å; L1018-M1022 HydrophobicContact CB-CG 4.47Å; L1018-M1022 HydrophobicContact CB-SD 3.97Å; L1018-M1022 HydrophobicContact CD1-CE 3.92Å; L1018-M1022 HydrophobicContact CG-CE 3.85Å; L1018-M1022 HydrophobicContact CG-SD 4.37Å; L1018-M1022 PolarHBondContact N-SD 3.32Å; L1018-M1022 PolarHBondContact O-N 3.24Å; M1022-L1079 HydrophobicContact CB-CD2 4.15Å; M1022-L1079 HydrophobicContact CG-CD2 4.3Å; M1022-L1079 HydrophobicContact SD-CD2 3.79Å; M1022-F1080 CarbonylContact C-O 3.54Å; M1022-F1080 VanDerWaalsContact CA-O 3.28Å; M1022-F1080 WeakPolarHBondContact CA-O 3.22Å; M1022-K1082 VanDerWaalsContact C-CE 3.5Å; M1022-K1082 WeakPolarHBondContact O-CE 3.15Å |
| 1023 | Y | 90.3 | Very high | 77.8 | Confident | 17 Ų | 17 | 43 Ų | 43 | 7% | 0.067 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 159.7 | 149.4 | -55.7 | -69.7 | 0 | 0 | 0 | 109.4 | S978 A979 L1040 F1051 F1080 K1082 | S978-Y1023 WeakPolarHBondContact CA-OH 3.29Å; S978-Y1023 VanDerWaalsContact CB-OH 3.31Å; S978-Y1023 WeakPolarHBondContact CB-OH 3.42Å; S978-Y1023 PolarHBondContact OG-OH 2.91Å; A979-Y1023 HydrophobicContact CB-CD1 4.24Å; A979-Y1023 HydrophobicContact CB-CD2 4.46Å; A979-Y1023 HydrophobicContact CB-CE1 3.82Å; A979-Y1023 HydrophobicContact CB-CE2 4.06Å; A979-Y1023 PolarHBondContact N-OH 3.01Å; A979-Y1023 WeakPolarHBondContact O-CE1 3.49Å; Y1023-L1040 HydrophobicContact CD2-CD2 4.22Å; Y1023-F1051 HydrophobicContact CE2-CB 4.02Å; Y1023-F1051 WeakPolarHBondContact CE2-O 3.5Å; Y1023-F1080 PolarHBondContact N-O 3.25Å; Y1023-F1080 PolarHBondContact O-N 2.94Å; Y1023-K1082 HydrophobicContact CD2-CG 3.81Å; Y1023-K1082 HydrophobicContact CE1-CD 4.18Å; Y1023-K1082 VanDerWaalsContact CE1-CE 3.5Å; Y1023-K1082 HydrophobicContact CE1-CG 4.37Å; Y1023-K1082 HydrophobicContact CE2-CB 4.16Å; Y1023-K1082 HydrophobicContact CE2-CD 4.13Å; Y1023-K1082 HydrophobicContact CE2-CG 3.54Å; Y1023-K1082 HydrophobicContact CG-CG 4.32Å |
| 1024 | C | 90.7 | Very high | 78.1 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 146.7 | 167.2 | 138.4 | 0 | 0 | 0 | 0 | 108.2 | L1004 C1009 L1013 Y1017 I1077 A1078 L1079 | L1004-C1024 PolarHBondContact N-O 3.09Å; C1009-C1024 HydrophobicContact CB-CB 4.15Å; C1009-C1024 VanDerWaalsContact SG-CB 3.54Å; C1009-C1024 VanDerWaalsContact SG-SG 3.62Å; L1013-C1024 HydrophobicContact CD1-CB 3.94Å; Y1017-C1024 HydrophobicContact CD2-CB 4.37Å; Y1017-C1024 HydrophobicContact CE2-CB 4.37Å; C1024-I1077 WeakPolarHBondContact SG-CG2 3.26Å; C1024-A1078 VanDerWaalsContact CA-O 3.27Å; C1024-A1078 WeakPolarHBondContact CA-O 3.31Å; C1024-L1079 HydrophobicContact CB-CD2 3.97Å |
| 1025 | G | 91.4 | Very high | 78.7 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 161.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q1002 I1077 A1078 | Q1002-G1025 CarbonylContact O-C 3.56Å; Q1002-G1025 WeakPolarHBondContact O-CA 3.4Å; G1025-I1077 WeakPolarHBondContact O-CA 3.49Å; G1025-A1078 PolarHBondContact N-O 3.36Å; G1025-A1078 PolarHBondContact O-N 3.37Å |
| 1026 | V | 89.4 | Confident | 79.8 | Confident | 20 Ų | 20 | 39.2 Ų | 39.2 | 12% | 0.121 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 130.2 | -179.4 | -174 | 0 | 0 | 0 | 0 | 109.6 | Y1001 Q1002 L1004 M1062 R1075 E1076 | Y1001-V1026 CarbonylContact C-O 3.59Å; Y1001-V1026 WeakPolarHBondContact CA-O 3.4Å; Q1002-V1026 PolarHBondContact N-O 3.43Å; Q1002-V1026 PolarHBondContact O-N 3Å; L1004-V1026 HydrophobicContact CD1-CG2 3.98Å; L1004-V1026 HydrophobicContact CD2-CG2 4.16Å; L1004-V1026 HydrophobicContact CG-CG2 4.17Å; V1026-M1062 HydrophobicContact CG2-CE 4.42Å; V1026-M1062 HydrophobicContact CG2-SD 4.29Å; V1026-R1075 HydrophobicContact CG1-CB 4.2Å; V1026-E1076 VanDerWaalsContact CA-O 3.28Å; V1026-E1076 WeakPolarHBondContact CA-O 3.34Å |
| 1027 | G | 85.4 | Confident | 81 | Confident | 5 Ų | 5 | 34.5 Ų | 34.5 | 5% | 0.052 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 175.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R1075 E1076 | G1027-R1075 VanDerWaalsContact O-CA 3.31Å; G1027-R1075 WeakPolarHBondContact O-CA 3.31Å; G1027-E1076 PolarHBondContact N-O 3.19Å; G1027-E1076 VanDerWaalsContact N-O 3.1Å; G1027-E1076 PolarHBondContact O-N 3.45Å |
| 1028 | Q | 80.5 | Confident | 81.7 | Confident | 43 Ų | 43 | 34 Ų | 34 | 20% | 0.201 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 135.3 | 169.3 | -72.7 | 163.8 | -35.9 | 0 | 0 | 109.7 | I999 I1031 E1073 | I999-Q1028 HydrophobicContact CG2-CB 4.14Å; Q1028-I1031 HydrophobicContact CB-CD1 3.59Å; Q1028-I1031 HydrophobicContact CG-CD1 4.24Å; Q1028-I1031 VanDerWaalsContact OE1-CD1 3.31Å; Q1028-E1073 PolarHBondContact NE2-OE2 3.22Å |
| 1029 | K | 77.5 | Confident | 82.7 | Confident | 57 Ų | 57 | 33.3 Ų | 33.3 | 25% | 0.248 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -80.9 | 162.1 | 178.8 | -159.6 | -173.9 | 177.1 | -142.3 | 0 | 110.9 | I1031 N1059 P1074 E1076 | K1029-I1031 PolarHBondContact O-N 3.39Å; K1029-N1059 WeakPolarHBondContact CE-OD1 3.12Å; K1029-P1074 HydrophobicContact CB-CB 4.13Å; K1029-P1074 HydrophobicContact CB-CG 4.41Å; K1029-P1074 VanDerWaalsContact CB-O 3.32Å; K1029-P1074 WeakPolarHBondContact CB-O 3.48Å; K1029-P1074 PolarHBondContact N-O 2.93Å; K1029-E1076 HydrophobicContact CB-CB 4.2Å; K1029-E1076 HydrophobicContact CB-CG 4.14Å; K1029-E1076 HydrophobicContact CG-CB 4.13Å; K1029-E1076 HydrophobicContact CG-CG 4.27Å |
| 1030 | E | 72.9 | Confident | 83.9 | Confident | 137 Ų | 137 | 31.6 Ų | 31.6 | 64% | 0.64 | 16% | 0.156 | S | C | * | . | S | Bend | trans | 63.7 | -7.4 | 165.5 | -79.6 | 148.8 | -145 | 0 | 0 | 118.1 | ||
| 1031 | I | 78 | Confident | 85.4 | Confident | 24 Ų | 24 | 28.5 Ų | 28.5 | 12% | 0.123 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -71.9 | -32.4 | 176.7 | -64.9 | 168.4 | 0 | 0 | 0 | 112.7 | H776 C991 V997 I999 Q1028 K1029 | H776-I1031 HydrophobicContact CB-CD1 4.28Å; H776-I1031 HydrophobicContact CB-CG2 4.15Å; C991-I1031 WeakPolarHBondContact CA-O 3.29Å; C991-I1031 WeakPolarHBondContact CB-O 3.37Å; V997-I1031 HydrophobicContact CG2-CG2 4.42Å; I999-I1031 HydrophobicContact CD1-CB 3.58Å; I999-I1031 HydrophobicContact CD1-CG2 3.79Å; I999-I1031 HydrophobicContact CG1-CB 4.08Å; I999-I1031 HydrophobicContact CG1-CG2 3.78Å; Q1028-I1031 HydrophobicContact CB-CD1 3.59Å; Q1028-I1031 HydrophobicContact CG-CD1 4.24Å; Q1028-I1031 VanDerWaalsContact OE1-CD1 3.31Å; K1029-I1031 PolarHBondContact O-N 3.39Å |
| 1032 | L | 80.5 | Confident | 86.3 | Confident | 16 Ų | 16 | 27.2 Ų | 27.2 | 8% | 0.084 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -95.5 | 127.8 | 178.4 | -84.9 | 171.1 | 0 | 0 | 0 | 111.9 | V987 G989 V997 I999 P1035 | V987-L1032 HydrophobicContact CB-CD1 4.08Å; V987-L1032 HydrophobicContact CG1-CD1 3.55Å; G989-L1032 VanDerWaalsContact C-CD2 3.43Å; G989-L1032 VanDerWaalsContact CA-CD2 3.45Å; V997-L1032 HydrophobicContact CG2-CD2 3.66Å; V997-L1032 HydrophobicContact CG2-CG 4.39Å; I999-L1032 HydrophobicContact CD1-CB 4.06Å; I999-L1032 HydrophobicContact CD1-CD1 3.73Å; I999-L1032 HydrophobicContact CD1-CG 3.54Å; I999-L1032 HydrophobicContact CG1-CD1 4.27Å; I999-L1032 HydrophobicContact CG1-CG 4.14Å; L1032-P1035 HydrophobicContact CB-CB 3.96Å; L1032-P1035 HydrophobicContact CD1-CB 4.36Å |
| 1033 | K | 79.5 | Confident | 86.4 | Confident | 99 Ų | 99 | 28.9 Ų | 28.9 | 43% | 0.43 | 14% | 0.139 | S | C | . | . | B | Isolated β-bridge | trans | -83 | 128.4 | 169.2 | -157.1 | -173.2 | -167 | 168.8 | 0 | 109.2 | V990 | V990-K1033 WeakPolarHBondContact O-CB 3.5Å; V990-K1033 PolarHBondContact O-N 3.01Å |
| 1034 | H | 85.3 | Confident | 85.7 | Confident | 66 Ų | 66 | 28.8 Ų | 28.8 | 31% | 0.306 | 14% | 0.141 | S | C | . | . | S | Bend | trans | 51.2 | 57.3 | -177.9 | -43 | 121.1 | 0 | 0 | 0 | 114.3 | A875 T878 I1036 | A875-H1034 PolarHBondContact O-CE1 2.92Å; A875-H1034 PolarHBondContact O-NE2 3.22Å; T878-H1034 PolarHBondContact N-O 2.87Å; T878-H1034 PolarHBondContact OG1-O 2.79Å; H1034-I1036 VanDerWaalsContact C-N 3.26Å; H1034-I1036 PolarHBondContact O-N 2.71Å |
| 1035 | P | 88.8 | Confident | 84.6 | Confident | 32 Ų | 32 | 30.1 Ų | 30.1 | 21% | 0.208 | 15% | 0.15 | C | C | . | . | trans | -70.2 | -16 | -172.9 | 29.5 | -36.5 | 0 | 0 | 0 | 114.2 | L1032 G1037 S1038 Y1054 | L1032-P1035 HydrophobicContact CB-CB 3.96Å; L1032-P1035 HydrophobicContact CD1-CB 4.36Å; P1035-G1037 PolarHBondContact O-N 2.77Å; P1035-S1038 WeakPolarHBondContact O-CB 3.44Å; P1035-S1038 PolarHBondContact O-N 3.18Å; P1035-S1038 PolarHBondContact O-OG 2.8Å; P1035-S1038 VanDerWaalsContact O-OG 3.13Å; P1035-Y1054 HydrophobicContact CB-CD1 4.23Å; P1035-Y1054 HydrophobicContact CB-CD2 4.41Å; P1035-Y1054 HydrophobicContact CB-CE1 4.17Å; P1035-Y1054 HydrophobicContact CB-CE2 4.35Å; P1035-Y1054 HydrophobicContact CB-CG 4.38Å; P1035-Y1054 HydrophobicContact CG-CE1 4.13Å; P1035-Y1054 VanDerWaalsContact O-CB 3.28Å; P1035-Y1054 WeakPolarHBondContact O-CB 3.39Å | ||
| 1036 | I | 90.5 | Very high | 83.5 | Confident | 53 Ų | 53 | 31.4 Ų | 31.4 | 27% | 0.272 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 137.1 | 175.6 | -59.4 | 177.5 | 0 | 0 | 0 | 108.4 | C877 T878 A896 C899 H1034 S1038 | C877-I1036 HydrophobicContact CB-CB 4.36Å; C877-I1036 VanDerWaalsContact CB-O 3.3Å; C877-I1036 WeakPolarHBondContact CB-O 3.25Å; T878-I1036 PolarHBondContact N-O 2.9Å; A896-I1036 HydrophobicContact CB-CG2 4.01Å; C899-I1036 HydrophobicContact CB-CG2 3.99Å; H1034-I1036 VanDerWaalsContact C-N 3.26Å; H1034-I1036 PolarHBondContact O-N 2.71Å; I1036-S1038 PolarHBondContact O-N 3.45Å |
| 1037 | G | 91 | Very high | 82.8 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | -10.6 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | T878 T895 P1035 Y1054 | T878-G1037 CarbonylContact O-C 3.09Å; T878-G1037 VanDerWaalsContact O-CA 3.25Å; T878-G1037 WeakPolarHBondContact O-CA 3.3Å; T895-G1037 WeakPolarHBondContact OG1-CA 3.48Å; P1035-G1037 PolarHBondContact O-N 2.77Å; G1037-Y1054 PolarHBondContact N-O 3.47Å |
| 1038 | S | 91.3 | Very high | 82.7 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -61 | 141.9 | 175.5 | -73.4 | 0 | 0 | 0 | 0 | 112.4 | T878 V987 S988 P1035 I1036 Y1054 | T878-S1038 WeakPolarHBondContact CB-OG 3.48Å; V987-S1038 VanDerWaalsContact CG1-CB 3.48Å; S988-S1038 VanDerWaalsContact O-CB 3.22Å; S988-S1038 WeakPolarHBondContact O-CB 3.45Å; S988-S1038 PolarHBondContact O-OG 3.04Å; S988-S1038 VanDerWaalsContact O-OG 3.06Å; P1035-S1038 WeakPolarHBondContact O-CB 3.44Å; P1035-S1038 PolarHBondContact O-N 3.18Å; P1035-S1038 PolarHBondContact O-OG 2.8Å; P1035-S1038 VanDerWaalsContact O-OG 3.13Å; I1036-S1038 PolarHBondContact O-N 3.45Å; S1038-Y1054 PolarHBondContact O-N 3.46Å | ||
| 1039 | P | 92.1 | Very high | 83 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 133.2 | 177.8 | 28.6 | -34.4 | 0 | 0 | 0 | 111.9 | T880 V987 S988 L1041 Q1050 | T880-P1039 WeakPolarHBondContact OG1-CB 3.47Å; T880-P1039 WeakPolarHBondContact OG1-CD 3.14Å; T880-P1039 WeakPolarHBondContact OG1-CG 3.3Å; V987-P1039 WeakPolarHBondContact CA-O 3.31Å; S988-P1039 PolarHBondContact N-O 2.69Å; P1039-L1041 HydrophobicContact CB-CD2 3.77Å; P1039-L1041 HydrophobicContact CB-CG 4.07Å; P1039-L1041 HydrophobicContact CG-CD1 4.49Å; P1039-L1041 HydrophobicContact CG-CD2 4.28Å; P1039-L1041 HydrophobicContact CG-CG 4.24Å; P1039-L1041 PolarHBondContact O-N 3.49Å; P1039-Q1050 HydrophobicContact CB-CG 3.69Å |
| 1040 | L | 93.5 | Very high | 83.6 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 99.7 | 161.9 | 178 | 70 | 0 | 0 | 0 | 108.7 | C985 V987 L1003 Y1023 Q1050 F1051 G1052 F1080 | C985-L1040 HydrophobicContact CB-CD1 3.95Å; V987-L1040 HydrophobicContact CG2-CD1 4.11Å; L1003-L1040 HydrophobicContact CD1-CD2 4.37Å; L1003-L1040 HydrophobicContact CD2-CD1 4.4Å; L1003-L1040 HydrophobicContact CD2-CD2 4.03Å; Y1023-L1040 HydrophobicContact CD2-CD2 4.22Å; L1040-Q1050 CarbonylContact O-C 3.53Å; L1040-Q1050 WeakPolarHBondContact O-CA 3.29Å; L1040-F1051 PolarHBondContact O-N 3.09Å; L1040-G1052 PolarHBondContact N-O 3.08Å; L1040-F1080 HydrophobicContact CB-CD1 3.74Å; L1040-F1080 HydrophobicContact CB-CE1 4.1Å; L1040-F1080 HydrophobicContact CB-CG 4.32Å; L1040-F1080 HydrophobicContact CD1-CD1 4.17Å; L1040-F1080 HydrophobicContact CD1-CE1 3.91Å; L1040-F1080 HydrophobicContact CD1-CE2 4.33Å; L1040-F1080 HydrophobicContact CD1-CG 4.5Å; L1040-F1080 HydrophobicContact CD1-CZ 4Å; L1040-F1080 HydrophobicContact CD2-CB 4Å; L1040-F1080 HydrophobicContact CD2-CD1 4.05Å; L1040-F1080 HydrophobicContact CD2-CD2 4.11Å; L1040-F1080 HydrophobicContact CD2-CG 3.78Å; L1040-F1080 HydrophobicContact CG-CD1 4.2Å; L1040-F1080 HydrophobicContact CG-CE1 4.41Å; L1040-F1080 HydrophobicContact CG-CG 4.42Å |
| 1041 | L | 91.6 | Very high | 84.4 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 110 | -179.6 | -57.1 | -179.8 | 0 | 0 | 0 | 109.6 | P858 F970 C985 Y986 P1039 W1048 T1049 Q1050 | P858-L1041 HydrophobicContact CB-CD1 4.27Å; P858-L1041 HydrophobicContact CG-CD1 4.03Å; F970-L1041 HydrophobicContact CB-CD2 3.8Å; F970-L1041 HydrophobicContact CD1-CD1 4.36Å; F970-L1041 HydrophobicContact CD1-CD2 3.83Å; F970-L1041 HydrophobicContact CD2-CD1 4.06Å; F970-L1041 HydrophobicContact CD2-CD2 3.44Å; F970-L1041 VanDerWaalsContact CD2-CD2 3.44Å; F970-L1041 HydrophobicContact CD2-CG 4.39Å; F970-L1041 HydrophobicContact CE1-CD1 4.02Å; F970-L1041 HydrophobicContact CE1-CD2 4.33Å; F970-L1041 HydrophobicContact CE2-CD1 3.67Å; F970-L1041 HydrophobicContact CE2-CD2 3.98Å; F970-L1041 HydrophobicContact CE2-CG 4.48Å; F970-L1041 HydrophobicContact CG-CD1 4.39Å; F970-L1041 HydrophobicContact CG-CD2 3.36Å; F970-L1041 HydrophobicContact CZ-CD1 3.66Å; F970-L1041 HydrophobicContact CZ-CD2 4.4Å; C985-L1041 CarbonylContact C-O 3.59Å; C985-L1041 WeakPolarHBondContact CA-O 3.22Å; Y986-L1041 PolarHBondContact N-O 3.4Å; Y986-L1041 PolarHBondContact O-N 2.89Å; P1039-L1041 HydrophobicContact CB-CD2 3.77Å; P1039-L1041 HydrophobicContact CB-CG 4.07Å; P1039-L1041 HydrophobicContact CG-CD1 4.49Å; P1039-L1041 HydrophobicContact CG-CD2 4.28Å; P1039-L1041 HydrophobicContact CG-CG 4.24Å; P1039-L1041 PolarHBondContact O-N 3.49Å; L1041-W1048 HydrophobicContact CB-CE3 4.29Å; L1041-T1049 WeakPolarHBondContact CA-O 3.45Å; L1041-Q1050 HydrophobicContact CD2-CB 4.03Å; L1041-Q1050 HydrophobicContact CD2-CG 4.47Å |
| 1042 | C | 90.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 143.2 | 171.7 | -55.5 | 0 | 0 | 0 | 0 | 110.6 | M983 P984 C985 S1044 T1049 F1051 | M983-C1042 HydrophobicContact CB-CB 4.29Å; P984-C1042 WeakPolarHBondContact O-CA 3.32Å; C985-C1042 HydrophobicContact CB-CB 4.08Å; C985-C1042 WeakPolarHBondContact CB-SG 3.11Å; C985-C1042 WeakPolarHBondContact SG-CB 3.31Å; C985-C1042 CovalentContact SG-SG 2.04Å; C985-C1042 PolarHBondContact SG-SG 2.8Å; C1042-S1044 PolarHBondContact O-N 3.46Å; C1042-T1049 PolarHBondContact N-O 3.03Å; C1042-T1049 PolarHBondContact O-N 2.68Å; C1042-F1051 HydrophobicContact CB-CD2 3.63Å; C1042-F1051 HydrophobicContact CB-CE2 3.91Å |
| 1043 | E | 84.2 | Confident | 85.6 | Confident | 37 Ų | 37 | 25.9 Ų | 25.9 | 17% | 0.173 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 128.4 | 168 | -162.4 | -176.4 | -173.2 | 0 | 0 | 108.7 | P984 W1048 | P984-E1043 HydrophobicContact CG-CB 3.72Å; P984-E1043 PolarHBondContact O-N 3.33Å; E1043-W1048 HydrophobicContact CB-CD2 4.5Å; E1043-W1048 HydrophobicContact CB-CE3 4.21Å; E1043-W1048 HydrophobicContact CB-CH2 3.88Å; E1043-W1048 HydrophobicContact CB-CZ2 4.17Å; E1043-W1048 HydrophobicContact CB-CZ3 3.9Å; E1043-W1048 HydrophobicContact CG-CZ2 4.48Å; E1043-W1048 VanDerWaalsContact N-CZ3 3.29Å |
| 1044 | S | 74.4 | Confident | 86.3 | Confident | 14 Ų | 14 | 21.4 Ų | 21.4 | 10% | 0.098 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 97.2 | -170.7 | 131.8 | 0 | 0 | 0 | 0 | 108.1 | P200 C1042 R1047 T1049 | P200-S1044 VanDerWaalsContact CG-CB 3.43Å; P200-S1044 WeakPolarHBondContact CG-OG 3.29Å; C1042-S1044 PolarHBondContact O-N 3.46Å; S1044-R1047 PolarHBondContact N-O 3.23Å; S1044-R1047 PolarHBondContact O-N 3.12Å; S1044-R1047 VanDerWaalsContact O-O 3.13Å; S1044-T1049 PolarHBondContact OG-OG1 3.14Å |
| 1045 | S | 67.8 | Low | 86.4 | Confident | 28 Ų | 28 | 18.3 Ų | 18.3 | 20% | 0.196 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 45.7 | -175.3 | -48.7 | 0 | 0 | 0 | 0 | 113.1 | D177 M198 V199 P200 R1047 | D177-S1045 CarbonylContact O-C 3.51Å; D177-S1045 WeakPolarHBondContact OD2-CA 3.17Å; D177-S1045 PolarHBondContact OD2-N 3.42Å; M198-S1045 VanDerWaalsContact C-OG 3.26Å; M198-S1045 WeakPolarHBondContact O-CB 3.29Å; M198-S1045 PolarHBondContact O-OG 2.8Å; V199-S1045 PolarHBondContact O-OG 2.96Å; P200-S1045 VanDerWaalsContact CA-OG 3.31Å; P200-S1045 WeakPolarHBondContact CA-OG 3.42Å; S1045-R1047 PolarHBondContact O-N 2.94Å |
| 1046 | G | 68.4 | Low | 86.4 | Confident | 28 Ų | 28 | 18.9 Ų | 18.9 | 29% | 0.289 | 9% | 0.093 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 15.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D177 | D177-G1046 WeakPolarHBondContact O-CA 3.29Å; D177-G1046 PolarHBondContact O-N 2.93Å |
| 1047 | R | 74 | Confident | 86.1 | Confident | 142 Ų | 142 | 18 Ų | 18 | 54% | 0.536 | 9% | 0.092 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 130.6 | 174.7 | -175.8 | 176.1 | -178.8 | -169 | -3.1 | 110.4 | S1044 S1045 T1049 | S1044-R1047 PolarHBondContact N-O 3.23Å; S1044-R1047 PolarHBondContact O-N 3.12Å; S1044-R1047 VanDerWaalsContact O-O 3.13Å; S1045-R1047 PolarHBondContact O-N 2.94Å; R1047-T1049 PolarHBondContact O-N 3.16Å; R1047-T1049 PolarHBondContact O-OG1 3.19Å |
| 1048 | W | 83.9 | Confident | 85.3 | Confident | 31 Ų | 31 | 20.3 Ų | 20.3 | 12% | 0.117 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 125.9 | 170.2 | -64.2 | 105 | 0 | 0 | 0 | 110.6 | L857 P858 F970 P971 Y986 L1041 E1043 | L857-W1048 HydrophobicContact CD2-CH2 4.29Å; L857-W1048 HydrophobicContact CD2-CZ2 3.92Å; P858-W1048 HydrophobicContact CB-CB 4.18Å; P858-W1048 HydrophobicContact CB-CD2 4.29Å; P858-W1048 HydrophobicContact CB-CG 3.83Å; P858-W1048 VanDerWaalsContact CD-CE2 3.49Å; P858-W1048 HydrophobicContact CG-CB 4.44Å; P858-W1048 HydrophobicContact CG-CD2 3.73Å; P858-W1048 HydrophobicContact CG-CE3 4.11Å; P858-W1048 HydrophobicContact CG-CG 3.82Å; F970-W1048 HydrophobicContact CD1-CB 4.02Å; F970-W1048 HydrophobicContact CE1-CB 4.11Å; P971-W1048 VanDerWaalsContact CD-O 3.28Å; P971-W1048 WeakPolarHBondContact CD-O 3.16Å; Y986-W1048 AromaticContact CD2-CH2 3.72Å; Y986-W1048 HydrophobicContact CD2-CH2 3.72Å; Y986-W1048 AromaticContact CD2-CZ3 3.74Å; Y986-W1048 HydrophobicContact CD2-CZ3 3.74Å; Y986-W1048 AromaticContact CE2-CH2 3.75Å; Y986-W1048 HydrophobicContact CE2-CH2 3.75Å; Y986-W1048 HydrophobicContact CE2-CZ3 4.22Å; L1041-W1048 HydrophobicContact CB-CE3 4.29Å; E1043-W1048 HydrophobicContact CB-CD2 4.5Å; E1043-W1048 HydrophobicContact CB-CE3 4.21Å; E1043-W1048 HydrophobicContact CB-CH2 3.88Å; E1043-W1048 HydrophobicContact CB-CZ2 4.17Å; E1043-W1048 HydrophobicContact CB-CZ3 3.9Å; E1043-W1048 HydrophobicContact CG-CZ2 4.48Å; E1043-W1048 VanDerWaalsContact N-CZ3 3.29Å |
| 1049 | T | 86.4 | Confident | 83.6 | Confident | 10 Ų | 10 | 26.6 Ų | 26.6 | 6% | 0.061 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 134.1 | -173.9 | -59.6 | 0 | 0 | 0 | 0 | 109.3 | P971 P973 L1041 C1042 S1044 R1047 F1051 | P971-T1049 HydrophobicContact CG-CG2 4.24Å; P971-T1049 WeakPolarHBondContact O-CG2 3.3Å; P973-T1049 HydrophobicContact CB-CG2 4.05Å; L1041-T1049 WeakPolarHBondContact CA-O 3.45Å; C1042-T1049 PolarHBondContact N-O 3.03Å; C1042-T1049 PolarHBondContact O-N 2.68Å; S1044-T1049 PolarHBondContact OG-OG1 3.14Å; R1047-T1049 PolarHBondContact O-N 3.16Å; R1047-T1049 PolarHBondContact O-OG1 3.19Å; T1049-F1051 HydrophobicContact CG2-CD2 4.08Å; T1049-F1051 HydrophobicContact CG2-CE2 3.83Å; T1049-F1051 HydrophobicContact CG2-CZ 4.25Å; T1049-F1051 WeakPolarHBondContact O-CD2 3.4Å; T1049-F1051 PolarHBondContact O-N 3Å; T1049-F1051 VanDerWaalsContact O-N 3.17Å |
| 1050 | Q | 91 | Very high | 81.8 | Confident | 3 Ų | 3 | 35.4 Ų | 35.4 | 1% | 0.014 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 89.8 | -179.3 | -175.3 | -177.8 | -4.1 | 0 | 0 | 110 | F970 P971 L972 P973 P1039 L1040 L1041 G1052 L1083 | F970-Q1050 HydrophobicContact CB-CB 3.93Å; P971-Q1050 PolarHBondContact O-N 3.04Å; L972-Q1050 HydrophobicContact CD2-CB 4.26Å; L972-Q1050 HydrophobicContact CD2-CG 4.49Å; P973-Q1050 WeakPolarHBondContact CD-O 3.28Å; P1039-Q1050 HydrophobicContact CB-CG 3.69Å; L1040-Q1050 CarbonylContact O-C 3.53Å; L1040-Q1050 WeakPolarHBondContact O-CA 3.29Å; L1041-Q1050 HydrophobicContact CD2-CB 4.03Å; L1041-Q1050 HydrophobicContact CD2-CG 4.47Å; Q1050-G1052 VanDerWaalsContact C-N 3.3Å; Q1050-G1052 PolarHBondContact O-N 2.94Å; Q1050-L1083 HydrophobicContact CG-CD1 3.93Å |
| 1051 | F | 90.6 | Very high | 79.2 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | -20.3 | -178.4 | -82.9 | -88.2 | 0 | 0 | 0 | 114 | P200 P973 T977 A979 Y1023 L1040 C1042 T1049 L1083 | P200-F1051 HydrophobicContact CG-CZ 4.47Å; P973-F1051 HydrophobicContact CB-CD1 3.71Å; P973-F1051 HydrophobicContact CB-CE1 3.55Å; P973-F1051 HydrophobicContact CB-CG 4.45Å; P973-F1051 HydrophobicContact CB-CZ 4.18Å; P973-F1051 HydrophobicContact CG-CD1 3.73Å; P973-F1051 HydrophobicContact CG-CE1 4.11Å; P973-F1051 HydrophobicContact CG-CG 4.3Å; T977-F1051 HydrophobicContact CG2-CE1 3.87Å; T977-F1051 HydrophobicContact CG2-CZ 4Å; A979-F1051 HydrophobicContact CB-CB 3.94Å; A979-F1051 HydrophobicContact CB-CD1 3.8Å; A979-F1051 HydrophobicContact CB-CD2 4.27Å; A979-F1051 HydrophobicContact CB-CE1 4.35Å; A979-F1051 HydrophobicContact CB-CG 3.74Å; A979-F1051 VanDerWaalsContact N-CD1 3.3Å; Y1023-F1051 HydrophobicContact CE2-CB 4.02Å; Y1023-F1051 WeakPolarHBondContact CE2-O 3.5Å; L1040-F1051 PolarHBondContact O-N 3.09Å; C1042-F1051 HydrophobicContact CB-CD2 3.63Å; C1042-F1051 HydrophobicContact CB-CE2 3.91Å; T1049-F1051 HydrophobicContact CG2-CD2 4.08Å; T1049-F1051 HydrophobicContact CG2-CE2 3.83Å; T1049-F1051 HydrophobicContact CG2-CZ 4.25Å; T1049-F1051 WeakPolarHBondContact O-CD2 3.4Å; T1049-F1051 PolarHBondContact O-N 3Å; T1049-F1051 VanDerWaalsContact O-N 3.17Å; F1051-L1083 PolarHBondContact O-N 2.93Å |
| 1052 | G | 91.5 | Very high | 76.9 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | 179.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1040 Q1050 M1081 | L1040-G1052 PolarHBondContact N-O 3.08Å; Q1050-G1052 VanDerWaalsContact C-N 3.3Å; Q1050-G1052 PolarHBondContact O-N 2.94Å; G1052-M1081 CarbonylContact C-O 3.57Å; G1052-M1081 WeakPolarHBondContact CA-O 3.36Å |
| 1053 | I | 91.9 | Very high | 74.3 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 132.4 | 176.3 | -53.5 | -171.5 | 0 | 0 | 0 | 108 | V894 A896 L952 D1055 F1080 M1081 L1083 | V894-I1053 HydrophobicContact CG1-CD1 3.66Å; A896-I1053 HydrophobicContact CB-CG2 3.96Å; L952-I1053 HydrophobicContact CD1-CD1 3.54Å; I1053-D1055 PolarHBondContact O-N 3.15Å; I1053-F1080 CarbonylContact O-C 3.49Å; I1053-F1080 WeakPolarHBondContact O-CA 3.43Å; I1053-M1081 HydrophobicContact CB-CE 4.49Å; I1053-M1081 PolarHBondContact N-O 2.7Å; I1053-M1081 PolarHBondContact O-N 2.66Å; I1053-L1083 HydrophobicContact CD1-CD1 4.1Å; I1053-L1083 HydrophobicContact CD1-CD2 3.91Å; I1053-L1083 HydrophobicContact CD1-CG 4.38Å; I1053-L1083 HydrophobicContact CG1-CD1 3.61Å; I1053-L1083 HydrophobicContact CG1-CD2 4.01Å; I1053-L1083 HydrophobicContact CG1-CG 3.95Å |
| 1054 | Y | 92.7 | Very high | 72.1 | Confident | 5 Ų | 5 | 57.1 Ų | 57.1 | 2% | 0.02 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 115.9 | 171.6 | -168.2 | -67 | 0 | 0 | 0 | 109.8 | V987 Y1001 P1035 G1037 S1038 S1057 E1076 A1078 F1080 | V987-Y1054 HydrophobicContact CG1-CD2 4.19Å; V987-Y1054 HydrophobicContact CG2-CD2 4.42Å; Y1001-Y1054 HydrophobicContact CE1-CE2 4.38Å; P1035-Y1054 HydrophobicContact CB-CD1 4.23Å; P1035-Y1054 HydrophobicContact CB-CD2 4.41Å; P1035-Y1054 HydrophobicContact CB-CE1 4.17Å; P1035-Y1054 HydrophobicContact CB-CE2 4.35Å; P1035-Y1054 HydrophobicContact CB-CG 4.38Å; P1035-Y1054 HydrophobicContact CG-CE1 4.13Å; P1035-Y1054 VanDerWaalsContact O-CB 3.28Å; P1035-Y1054 WeakPolarHBondContact O-CB 3.39Å; G1037-Y1054 PolarHBondContact N-O 3.47Å; S1038-Y1054 PolarHBondContact O-N 3.46Å; Y1054-S1057 VanDerWaalsContact OH-CB 3.3Å; Y1054-S1057 WeakPolarHBondContact OH-CB 3.09Å; Y1054-S1057 PolarHBondContact OH-N 3.49Å; Y1054-E1076 PolarHBondContact OH-OE1 3.48Å; Y1054-E1076 PolarHBondContact OH-OE2 2.79Å; Y1054-A1078 HydrophobicContact CD2-CB 4.16Å; Y1054-A1078 HydrophobicContact CE2-CB 3.48Å; Y1054-A1078 VanDerWaalsContact CE2-CB 3.48Å; Y1054-F1080 HydrophobicContact CD2-CD1 4.37Å; Y1054-F1080 AromaticContact CD2-CE1 3.57Å; Y1054-F1080 HydrophobicContact CD2-CE1 3.57Å; Y1054-F1080 HydrophobicContact CD2-CZ 4.04Å; Y1054-F1080 HydrophobicContact CE2-CE1 4.42Å; Y1054-F1080 HydrophobicContact CE2-CZ 4.48Å; Y1054-F1080 HydrophobicContact CG-CE1 4.13Å |
| 1055 | D | 88.8 | Confident | 70.1 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | -53.3 | 177.8 | 177.4 | 57.3 | 0 | 0 | 0 | 111.4 | R898 M950 I1053 L1079 M1081 | R898-D1055 WeakPolarHBondContact CD-O 3.09Å; R898-D1055 IonicContact CZ-OD1 3.98Å; R898-D1055 IonicContact CZ-OD2 3.42Å; R898-D1055 IonicContact NE-OD1 3.5Å; R898-D1055 PolarHBondContact NE-OD1 2.85Å; R898-D1055 IonicContact NE-OD2 2.79Å; R898-D1055 PolarHBondContact NE-OD2 2.04Å; R898-D1055 IonicContact NH2-OD1 2.82Å; R898-D1055 PolarHBondContact NH2-OD1 3.1Å; R898-D1055 VanDerWaalsContact NH2-OD1 3.16Å; R898-D1055 IonicContact NH2-OD2 3.3Å; R898-D1055 PolarHBondContact NH2-OD2 3.48Å; M950-D1055 HydrophobicContact CE-CB 4.4Å; M950-D1055 WeakPolarHBondContact CE-OD2 3.22Å; I1053-D1055 PolarHBondContact O-N 3.15Å; D1055-L1079 PolarHBondContact N-O 3.24Å; D1055-M1081 HydrophobicContact CB-CE 4.2Å; D1055-M1081 HydrophobicContact CB-CG 4.18Å |
| 1056 | R | 87.5 | Confident | 68.5 | Low | 45 Ų | 45 | 66.3 Ų | 66.3 | 17% | 0.17 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.4 | 149 | -176 | 63.1 | -169.2 | 179.8 | -168.9 | -0.6 | 112.9 | L1079 | R1056-L1079 HydrophobicContact CG-CB 4.18Å; R1056-L1079 HydrophobicContact CG-CD1 4.21Å; R1056-L1079 PolarHBondContact N-O 2.91Å; R1056-L1079 PolarHBondContact O-N 3.12Å |
| 1057 | S | 85 | Confident | 66.7 | Low | 35 Ų | 35 | 70.9 Ų | 70.9 | 25% | 0.245 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 157.1 | 160.5 | -167.3 | 0 | 0 | 0 | 0 | 110.8 | Y1054 E1076 | Y1054-S1057 VanDerWaalsContact OH-CB 3.3Å; Y1054-S1057 WeakPolarHBondContact OH-CB 3.09Å; Y1054-S1057 PolarHBondContact OH-N 3.49Å; S1057-E1076 WeakPolarHBondContact CB-OE2 3.41Å; S1057-E1076 WeakPolarHBondContact OG-CB 3.45Å; S1057-E1076 PolarHBondContact OG-OE2 3.34Å |
| 1058 | L | 73.9 | Confident | 64.7 | Low | 47 Ų | 47 | 73.9 Ų | 73.9 | 25% | 0.246 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 110.7 | 167.2 | -68.8 | 173.5 | 0 | 0 | 0 | 110.1 | L1013 R1060 I1077 L1079 | L1013-L1058 HydrophobicContact CD1-CD1 4.24Å; L1013-L1058 HydrophobicContact CD2-CD1 3.46Å; L1013-L1058 VanDerWaalsContact CD2-CD1 3.46Å; L1013-L1058 HydrophobicContact CG-CD1 4.41Å; L1058-R1060 VanDerWaalsContact C-N 3.33Å; L1058-R1060 PolarHBondContact O-N 3.09Å; L1058-I1077 PolarHBondContact N-O 3.11Å; L1058-L1079 HydrophobicContact CD1-CD1 3.79Å; L1058-L1079 HydrophobicContact CD1-CG 4.4Å; L1058-L1079 HydrophobicContact CG-CD1 4.42Å |
| 1059 | N | 55.8 | Low | 62.1 | Low | 132 Ų | 132 | 78.9 Ų | 78.9 | 71% | 0.706 | 42% | 0.42 | S | S | * | . | trans | -67.8 | 85.6 | 174.3 | -76.6 | -26.1 | 0 | 0 | 0 | 110.8 | K1029 | K1029-N1059 WeakPolarHBondContact CE-OD1 3.12Š| ||
| 1060 | R | 53.1 | Low | 59.4 | Low | 186 Ų | 186 | 82 Ų | 82 | 70% | 0.702 | 46% | 0.455 | S | S | * | . | trans | -129.7 | 124.7 | 159.8 | -93.3 | -173.8 | 168 | -174.2 | -6 | 109.1 | L1058 M1062 | L1058-R1060 VanDerWaalsContact C-N 3.33Å; L1058-R1060 PolarHBondContact O-N 3.09Å; R1060-M1062 PolarHBondContact O-N 3.32Å; R1060-M1062 VanDerWaalsContact O-N 3.13Å | ||
| 1061 | P | 39.4 | Very low | 56.5 | Low | 132 Ų | 132 | 90.4 Ų | 90.4 | 86% | 0.857 | 49% | 0.491 | S | S | * | . | trans | -65.4 | 115 | 171.6 | 26.5 | -31.3 | 0 | 0 | 0 | 109.1 | A1063 | P1061-A1063 PolarHBondContact O-N 3.47Š| ||
| 1062 | M | 44.2 | Very low | 54 | Low | 66 Ų | 66 | 98.3 Ų | 98.3 | 33% | 0.325 | 53% | 0.529 | S | S | . | . | trans | -73.7 | 105.8 | 169.4 | -86.3 | 178.2 | 136.6 | 0 | 0 | 109 | H1012 V1026 R1060 Y1064 I1077 | H1012-M1062 WeakPolarHBondContact CE1-CE 3.41Å; H1012-M1062 WeakPolarHBondContact NE2-CE 3.5Å; V1026-M1062 HydrophobicContact CG2-CE 4.42Å; V1026-M1062 HydrophobicContact CG2-SD 4.29Å; R1060-M1062 PolarHBondContact O-N 3.32Å; R1060-M1062 VanDerWaalsContact O-N 3.13Å; M1062-Y1064 VanDerWaalsContact C-N 3.31Å; M1062-Y1064 PolarHBondContact O-N 2.99Å; M1062-I1077 HydrophobicContact CE-CD1 3.63Å; M1062-I1077 HydrophobicContact CE-CG1 4.16Å; M1062-I1077 HydrophobicContact CG-CD1 4.06Å; M1062-I1077 HydrophobicContact CG-CG1 4.48Å; M1062-I1077 HydrophobicContact SD-CD1 3.83Å; M1062-I1077 HydrophobicContact SD-CG1 3.89Å | ||
| 1063 | A | 35.8 | Very low | 52.1 | Low | 100 Ų | 100 | 102.2 Ų | 102.2 | 83% | 0.826 | 55% | 0.547 | S | S | * | . | trans | -69.5 | 89.7 | 165 | 0 | 0 | 0 | 0 | 0 | 109.3 | P1061 | P1061-A1063 PolarHBondContact O-N 3.47Š| ||
| 1064 | Y | 37.8 | Very low | 50.7 | Low | 195 Ų | 195 | 105.9 Ų | 105.9 | 77% | 0.765 | 57% | 0.57 | S | S | * | * | trans | -92.7 | 128.4 | 165.6 | -142 | -87.5 | 0 | 0 | 0 | 108 | M1062 A1066 | M1062-Y1064 VanDerWaalsContact C-N 3.31Å; M1062-Y1064 PolarHBondContact O-N 2.99Å; Y1064-A1066 PolarHBondContact O-N 3.45Å | ||
| 1065 | N | 31.8 | Very low | 49.8 | Very low | 152 Ų | 152 | 114.3 Ų | 114.3 | 81% | 0.813 | 60% | 0.602 | S | S | * | * | trans | -70.9 | 81.5 | 177.7 | -72.7 | -10.3 | 0 | 0 | 0 | 110.2 | V1067 | N1065-V1067 PolarHBondContact O-N 2.73Š| ||
| 1066 | A | 34.8 | Very low | 49.6 | Very low | 84 Ų | 84 | 115 Ų | 115 | 69% | 0.694 | 61% | 0.606 | S | S | * | * | trans | -87 | 89.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y1064 Y1068 | Y1064-A1066 PolarHBondContact O-N 3.45Å; A1066-Y1068 PolarHBondContact O-N 3.34Å | ||
| 1067 | V | 30.3 | Very low | 49.6 | Very low | 123 Ų | 123 | 113.2 Ų | 113.2 | 75% | 0.745 | 60% | 0.599 | S | S | * | * | trans | -72.5 | 113.1 | 171.7 | 171 | 0 | 0 | 0 | 0 | 108.4 | N1065 | N1065-V1067 PolarHBondContact O-N 2.73Š| ||
| 1068 | Y | 31.8 | Very low | 49.9 | Very low | 205 Ų | 205 | 111.6 Ų | 111.6 | 80% | 0.804 | 59% | 0.588 | S | S | * | * | S | Bend | trans | 74.8 | 139.5 | 173 | -78.6 | -110.6 | 0 | 0 | 0 | 119.4 | A1066 | A1066-Y1068 PolarHBondContact O-N 3.34Š|
| 1069 | T | 30.5 | Very low | 50.7 | Low | 136 Ų | 136 | 109.3 Ų | 109.3 | 83% | 0.834 | 58% | 0.576 | S | S | * | * | trans | 75 | 103.2 | 169 | 64.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1070 | G | 28.5 | Very low | 52.5 | Low | 77 Ų | 77 | 103 Ų | 103 | 79% | 0.794 | 54% | 0.542 | S | S | * | . | S | Bend | 79.1 | 103.7 | 129.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||
| 1071 | K | 31 | Very low | 54.1 | Low | 178 Ų | 178 | 94.5 Ų | 94.5 | 77% | 0.774 | 51% | 0.51 | S | S | * | . | trans | 45.8 | 96.6 | 159.9 | -68.3 | -173 | 177.4 | -176.7 | 0 | 116.9 | E1073 | K1071-E1073 PolarHBondContact O-N 3.01Š| ||
| 1072 | Q | 38.5 | Very low | 56.3 | Low | 167 Ų | 167 | 90.6 Ų | 90.6 | 78% | 0.78 | 48% | 0.48 | S | S | * | . | trans | -81.8 | 112.5 | -179.2 | -167.1 | 169.5 | 3.2 | 0 | 0 | 112.2 | ||||
| 1073 | E | 51.3 | Low | 58.2 | Low | 82 Ų | 82 | 87.6 Ų | 87.6 | 38% | 0.383 | 47% | 0.465 | S | S | . | . | trans | -66.2 | 143.3 | 170.7 | -68.6 | -176.2 | 151.2 | 0 | 0 | 111.6 | T775 Q1028 K1071 R1075 | T775-E1073 WeakPolarHBondContact CG2-OE1 3.49Å; Q1028-E1073 PolarHBondContact NE2-OE2 3.22Å; K1071-E1073 PolarHBondContact O-N 3.01Å; E1073-R1075 PolarHBondContact O-N 2.89Å; E1073-R1075 VanDerWaalsContact O-N 3.14Å | ||
| 1074 | P | 61.7 | Low | 60.1 | Low | 76 Ų | 76 | 86.3 Ų | 86.3 | 49% | 0.494 | 44% | 0.442 | S | S | . | . | trans | -68.9 | 112.8 | 177.8 | 29 | -34 | 0 | 0 | 0 | 110.4 | K1029 | K1029-P1074 HydrophobicContact CB-CB 4.13Å; K1029-P1074 HydrophobicContact CB-CG 4.41Å; K1029-P1074 VanDerWaalsContact CB-O 3.32Å; K1029-P1074 WeakPolarHBondContact CB-O 3.48Å; K1029-P1074 PolarHBondContact N-O 2.93Å | ||
| 1075 | R | 75.2 | Confident | 61.5 | Low | 183 Ų | 183 | 78.1 Ų | 78.1 | 69% | 0.691 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 146.6 | 173.5 | -66.6 | -176.4 | 179.8 | 178.8 | 0.1 | 111.1 | V1026 G1027 E1073 | V1026-R1075 HydrophobicContact CG1-CB 4.2Å; G1027-R1075 VanDerWaalsContact O-CA 3.31Å; G1027-R1075 WeakPolarHBondContact O-CA 3.31Å; E1073-R1075 PolarHBondContact O-N 2.89Å; E1073-R1075 VanDerWaalsContact O-N 3.14Å |
| 1076 | E | 84.3 | Confident | 63.2 | Low | 15 Ų | 15 | 72.2 Ų | 72.2 | 7% | 0.07 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 158.1 | 176.1 | 60.8 | 160.7 | -136.7 | 0 | 0 | 112.8 | Y1001 V1026 G1027 K1029 Y1054 S1057 | Y1001-E1076 PolarHBondContact OH-OE1 3.07Å; V1026-E1076 VanDerWaalsContact CA-O 3.28Å; V1026-E1076 WeakPolarHBondContact CA-O 3.34Å; G1027-E1076 PolarHBondContact N-O 3.19Å; G1027-E1076 VanDerWaalsContact N-O 3.1Å; G1027-E1076 PolarHBondContact O-N 3.45Å; K1029-E1076 HydrophobicContact CB-CB 4.2Å; K1029-E1076 HydrophobicContact CB-CG 4.14Å; K1029-E1076 HydrophobicContact CG-CB 4.13Å; K1029-E1076 HydrophobicContact CG-CG 4.27Å; Y1054-E1076 PolarHBondContact OH-OE1 3.48Å; Y1054-E1076 PolarHBondContact OH-OE2 2.79Å; S1057-E1076 WeakPolarHBondContact CB-OE2 3.41Å; S1057-E1076 WeakPolarHBondContact OG-CB 3.45Å; S1057-E1076 PolarHBondContact OG-OE2 3.34Å |
| 1077 | I | 87.5 | Confident | 64.8 | Low | 7 Ų | 7 | 68.9 Ų | 68.9 | 4% | 0.036 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 110.8 | 167.4 | -52.4 | 177.4 | 0 | 0 | 0 | 108 | H1012 L1013 C1024 G1025 L1058 M1062 | H1012-I1077 HydrophobicContact CB-CD1 4.1Å; L1013-I1077 HydrophobicContact CD2-CG2 4.27Å; C1024-I1077 WeakPolarHBondContact SG-CG2 3.26Å; G1025-I1077 WeakPolarHBondContact O-CA 3.49Å; L1058-I1077 PolarHBondContact N-O 3.11Å; M1062-I1077 HydrophobicContact CE-CD1 3.63Å; M1062-I1077 HydrophobicContact CE-CG1 4.16Å; M1062-I1077 HydrophobicContact CG-CD1 4.06Å; M1062-I1077 HydrophobicContact CG-CG1 4.48Å; M1062-I1077 HydrophobicContact SD-CD1 3.83Å; M1062-I1077 HydrophobicContact SD-CG1 3.89Å |
| 1078 | A | 91 | Very high | 66.7 | Low | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 142.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y1001 C1024 G1025 Y1054 F1080 | Y1001-A1078 HydrophobicContact CD1-CB 4.21Å; Y1001-A1078 HydrophobicContact CE1-CB 3.59Å; C1024-A1078 VanDerWaalsContact CA-O 3.27Å; C1024-A1078 WeakPolarHBondContact CA-O 3.31Å; G1025-A1078 PolarHBondContact N-O 3.36Å; G1025-A1078 PolarHBondContact O-N 3.37Å; Y1054-A1078 HydrophobicContact CD2-CB 4.16Å; Y1054-A1078 HydrophobicContact CE2-CB 3.48Å; Y1054-A1078 VanDerWaalsContact CE2-CB 3.48Å; A1078-F1080 HydrophobicContact CB-CE1 4.47Å; A1078-F1080 HydrophobicContact CB-CE2 3.69Å; A1078-F1080 HydrophobicContact CB-CZ 3.66Å |
| 1079 | L | 91.2 | Very high | 68.4 | Low | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 131.3 | 168.8 | -83.5 | 167.4 | 0 | 0 | 0 | 110 | L1013 Y1017 M1022 C1024 D1055 R1056 L1058 | L1013-L1079 HydrophobicContact CD1-CD1 4.41Å; L1013-L1079 HydrophobicContact CD1-CD2 3.76Å; L1013-L1079 HydrophobicContact CD1-CG 4.09Å; Y1017-L1079 HydrophobicContact CD2-CD2 4.19Å; M1022-L1079 HydrophobicContact CB-CD2 4.15Å; M1022-L1079 HydrophobicContact CG-CD2 4.3Å; M1022-L1079 HydrophobicContact SD-CD2 3.79Å; C1024-L1079 HydrophobicContact CB-CD2 3.97Å; D1055-L1079 PolarHBondContact N-O 3.24Å; R1056-L1079 HydrophobicContact CG-CB 4.18Å; R1056-L1079 HydrophobicContact CG-CD1 4.21Å; R1056-L1079 PolarHBondContact N-O 2.91Å; R1056-L1079 PolarHBondContact O-N 3.12Å; L1058-L1079 HydrophobicContact CD1-CD1 3.79Å; L1058-L1079 HydrophobicContact CD1-CG 4.4Å; L1058-L1079 HydrophobicContact CG-CD1 4.42Å |
| 1080 | F | 92.1 | Very high | 70.1 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 128.7 | 177.8 | -55 | -89.4 | 0 | 0 | 0 | 109.8 | V987 Y1001 L1003 M1022 Y1023 L1040 I1053 Y1054 A1078 | V987-F1080 HydrophobicContact CG2-CE1 3.47Å; V987-F1080 VanDerWaalsContact CG2-CE1 3.47Å; V987-F1080 HydrophobicContact CG2-CZ 3.7Å; Y1001-F1080 HydrophobicContact CD1-CE2 4.07Å; Y1001-F1080 AromaticContact CD1-CZ 3.67Å; Y1001-F1080 HydrophobicContact CD1-CZ 3.67Å; Y1001-F1080 AromaticContact CE1-CZ 3.98Å; Y1001-F1080 HydrophobicContact CE1-CZ 3.98Å; Y1001-F1080 HydrophobicContact CG-CZ 4.06Å; L1003-F1080 HydrophobicContact CD2-CD2 4.37Å; L1003-F1080 HydrophobicContact CD2-CE2 4.39Å; M1022-F1080 CarbonylContact C-O 3.54Å; M1022-F1080 VanDerWaalsContact CA-O 3.28Å; M1022-F1080 WeakPolarHBondContact CA-O 3.22Å; Y1023-F1080 PolarHBondContact N-O 3.25Å; Y1023-F1080 PolarHBondContact O-N 2.94Å; L1040-F1080 HydrophobicContact CB-CD1 3.74Å; L1040-F1080 HydrophobicContact CB-CE1 4.1Å; L1040-F1080 HydrophobicContact CB-CG 4.32Å; L1040-F1080 HydrophobicContact CD1-CD1 4.17Å; L1040-F1080 HydrophobicContact CD1-CE1 3.91Å; L1040-F1080 HydrophobicContact CD1-CE2 4.33Å; L1040-F1080 HydrophobicContact CD1-CG 4.5Å; L1040-F1080 HydrophobicContact CD1-CZ 4Å; L1040-F1080 HydrophobicContact CD2-CB 4Å; L1040-F1080 HydrophobicContact CD2-CD1 4.05Å; L1040-F1080 HydrophobicContact CD2-CD2 4.11Å; L1040-F1080 HydrophobicContact CD2-CG 3.78Å; L1040-F1080 HydrophobicContact CG-CD1 4.2Å; L1040-F1080 HydrophobicContact CG-CE1 4.41Å; L1040-F1080 HydrophobicContact CG-CG 4.42Å; I1053-F1080 CarbonylContact O-C 3.49Å; I1053-F1080 WeakPolarHBondContact O-CA 3.43Å; Y1054-F1080 HydrophobicContact CD2-CD1 4.37Å; Y1054-F1080 AromaticContact CD2-CE1 3.57Å; Y1054-F1080 HydrophobicContact CD2-CE1 3.57Å; Y1054-F1080 HydrophobicContact CD2-CZ 4.04Å; Y1054-F1080 HydrophobicContact CE2-CE1 4.42Å; Y1054-F1080 HydrophobicContact CE2-CZ 4.48Å; Y1054-F1080 HydrophobicContact CG-CE1 4.13Å; A1078-F1080 HydrophobicContact CB-CE1 4.47Å; A1078-F1080 HydrophobicContact CB-CE2 3.69Å; A1078-F1080 HydrophobicContact CB-CZ 3.66Å |
| 1081 | M | 87.9 | Confident | 71.9 | Confident | 7 Ų | 7 | 49.6 Ų | 49.6 | 3% | 0.034 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 133.3 | 170 | -70.8 | 179 | -62.2 | 0 | 0 | 109.4 | A896 L940 M950 G951 G1052 I1053 D1055 | A896-M1081 HydrophobicContact CB-CE 3.63Å; L940-M1081 HydrophobicContact CD1-SD 4.41Å; M950-M1081 HydrophobicContact CB-SD 4.12Å; M950-M1081 HydrophobicContact CE-CG 3.77Å; M950-M1081 HydrophobicContact CE-SD 4.2Å; G951-M1081 PolarHBondContact N-SD 3.34Å; G951-M1081 WeakPolarHBondContact O-CE 3.45Å; G951-M1081 VanDerWaalsContact O-SD 3.38Å; G1052-M1081 CarbonylContact C-O 3.57Å; G1052-M1081 WeakPolarHBondContact CA-O 3.36Å; I1053-M1081 HydrophobicContact CB-CE 4.49Å; I1053-M1081 PolarHBondContact N-O 2.7Å; I1053-M1081 PolarHBondContact O-N 2.66Å; D1055-M1081 HydrophobicContact CB-CE 4.2Å; D1055-M1081 HydrophobicContact CB-CG 4.18Å |
| 1082 | K | 85.9 | Confident | 73.6 | Confident | 49 Ų | 49 | 42.8 Ų | 42.8 | 21% | 0.213 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 139.5 | 175 | -61.2 | -170.5 | 177 | -174.8 | 0 | 110.1 | P1019 V1021 M1022 Y1023 | P1019-K1082 WeakPolarHBondContact O-CE 3.15Å; P1019-K1082 PolarHBondContact O-NZ 3.25Å; V1021-K1082 PolarHBondContact O-N 2.05Å; M1022-K1082 VanDerWaalsContact C-CE 3.5Å; M1022-K1082 WeakPolarHBondContact O-CE 3.15Å; Y1023-K1082 HydrophobicContact CD2-CG 3.81Å; Y1023-K1082 HydrophobicContact CE1-CD 4.18Å; Y1023-K1082 VanDerWaalsContact CE1-CE 3.5Å; Y1023-K1082 HydrophobicContact CE1-CG 4.37Å; Y1023-K1082 HydrophobicContact CE2-CB 4.16Å; Y1023-K1082 HydrophobicContact CE2-CD 4.13Å; Y1023-K1082 HydrophobicContact CE2-CG 3.54Å; Y1023-K1082 HydrophobicContact CG-CG 4.32Å |
| 1083 | L | 84.4 | Confident | 74.7 | Confident | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | trans | -110.5 | 150.6 | 169.3 | -67.2 | 175 | 0 | 0 | 0 | 110.7 | V894 L952 L972 P973 Q1050 F1051 I1053 | V894-L1083 HydrophobicContact CG1-CD1 4.35Å; L952-L1083 HydrophobicContact CD1-CD2 4.02Å; L952-L1083 HydrophobicContact CD2-CD2 3.83Å; L952-L1083 HydrophobicContact CG-CD2 4.35Å; L972-L1083 HydrophobicContact CD2-CB 4.17Å; L972-L1083 HydrophobicContact CD2-CD1 3.62Å; L972-L1083 HydrophobicContact CD2-CG 4.49Å; P973-L1083 WeakPolarHBondContact CG-O 3.49Å; Q1050-L1083 HydrophobicContact CG-CD1 3.93Å; F1051-L1083 PolarHBondContact O-N 2.93Å; I1053-L1083 HydrophobicContact CD1-CD1 4.1Å; I1053-L1083 HydrophobicContact CD1-CD2 3.91Å; I1053-L1083 HydrophobicContact CD1-CG 4.38Å; I1053-L1083 HydrophobicContact CG1-CD1 3.61Å; I1053-L1083 HydrophobicContact CG1-CD2 4.01Å; I1053-L1083 HydrophobicContact CG1-CG 3.95Å | ||
| 1084 | E | 75.1 | Confident | 74.8 | Confident | 73 Ų | 73 | 38.2 Ų | 38.2 | 34% | 0.341 | 19% | 0.191 | S | C | . | . | trans | -134.1 | 151.6 | 169.4 | -55.1 | -172.7 | 160 | 0 | 0 | 111.2 | P973 S975 D1086 D1087 | P973-E1084 CarbonylContact O-C 3.4Å; P973-E1084 WeakPolarHBondContact O-CA 3.13Å; S975-E1084 WeakPolarHBondContact CB-OE2 3.25Å; S975-E1084 VanDerWaalsContact OG-CD 3.23Å; S975-E1084 PolarHBondContact OG-OE2 3.33Å; E1084-D1086 PolarHBondContact O-N 3.21Å; E1084-D1087 PolarHBondContact N-OD2 3.26Å; E1084-D1087 WeakPolarHBondContact O-CB 3.49Å; E1084-D1087 PolarHBondContact O-N 3.19Å | ||
| 1085 | D | 66.2 | Low | 74.4 | Confident | 22 Ų | 22 | 36.6 Ų | 36.6 | 12% | 0.118 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -14.9 | -176 | -154.3 | 21.4 | 0 | 0 | 0 | 115.1 | R885 L972 P973 | R885-D1085 IonicContact CZ-OD2 3.47Å; R885-D1085 IonicContact NE-OD2 3.41Å; R885-D1085 IonicContact NH2-OD2 2.97Å; R885-D1085 PolarHBondContact NH2-OD2 2.89Å; L972-D1085 HydrophobicContact CB-CB 4.4Å; P973-D1085 PolarHBondContact O-N 3.09Å |
| 1086 | D | 69.1 | Low | 73 | Confident | 29 Ų | 29 | 31.7 Ų | 31.7 | 16% | 0.155 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -10 | 174.2 | -63.4 | 0.6 | 0 | 0 | 0 | 112.9 | K257 E1084 R1090 | K257-D1086 WeakPolarHBondContact CD-OD2 3.25Å; K257-D1086 IonicContact NZ-OD1 3.65Å; K257-D1086 PolarHBondContact NZ-OD1 3.13Å; K257-D1086 IonicContact NZ-OD2 3.96Å; K257-D1086 PolarHBondContact NZ-OD2 2.99Å; E1084-D1086 PolarHBondContact O-N 3.21Å; D1086-R1090 WeakPolarHBondContact O-CB 3.25Å; D1086-R1090 PolarHBondContact O-N 2.91Å |
| 1087 | D | 68.1 | Low | 70.7 | Confident | 13 Ų | 13 | 34.8 Ų | 34.8 | 7% | 0.07 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.7 | -44.7 | -168.6 | -81.6 | -37.7 | 0 | 0 | 0 | 113.5 | L952 E1084 A1089 R1090 I1091 | L952-D1087 HydrophobicContact CD2-CB 3.77Å; E1084-D1087 PolarHBondContact N-OD2 3.26Å; E1084-D1087 WeakPolarHBondContact O-CB 3.49Å; E1084-D1087 PolarHBondContact O-N 3.19Å; D1087-A1089 PolarHBondContact O-N 2.74Å; D1087-R1090 PolarHBondContact O-N 3.4Å; D1087-R1090 IonicContact OD1-CZ 3.63Å; D1087-R1090 IonicContact OD1-NE 2.54Å; D1087-R1090 PolarHBondContact OD1-NE 3.11Å; D1087-R1090 IonicContact OD1-NH2 3.58Å; D1087-R1090 PolarHBondContact OD1-NH2 3.28Å; D1087-I1091 WeakPolarHBondContact O-CB 3.43Å; D1087-I1091 VanDerWaalsContact O-CG1 3.3Å; D1087-I1091 WeakPolarHBondContact O-CG1 3.26Å; D1087-I1091 PolarHBondContact O-N 3.18Å |
| 1088 | V | 69 | Low | 68.2 | Low | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.6 | -50 | 178.1 | 173.7 | 0 | 0 | 0 | 0 | 110.4 | Y882 V894 L952 V954 L972 I1091 Q1092 | Y882-V1088 HydrophobicContact CD1-CB 4.31Å; Y882-V1088 HydrophobicContact CD1-CG1 3.79Å; Y882-V1088 HydrophobicContact CD1-CG2 4.23Å; Y882-V1088 HydrophobicContact CD2-CG2 4.1Å; Y882-V1088 HydrophobicContact CE1-CB 4.1Å; Y882-V1088 HydrophobicContact CE1-CG1 3.81Å; Y882-V1088 HydrophobicContact CE1-CG2 4.35Å; Y882-V1088 HydrophobicContact CE2-CG2 4.23Å; Y882-V1088 HydrophobicContact CG-CG1 4.42Å; Y882-V1088 HydrophobicContact CG-CG2 4.08Å; V894-V1088 HydrophobicContact CG2-CG2 3.73Å; L952-V1088 HydrophobicContact CD2-CG2 4.4Å; V954-V1088 HydrophobicContact CG1-CG1 4.05Å; V954-V1088 HydrophobicContact CG2-CB 4.33Å; V954-V1088 HydrophobicContact CG2-CG1 4Å; V954-V1088 HydrophobicContact CG2-CG2 4.23Å; L972-V1088 HydrophobicContact CD1-CG2 3.84Å; V1088-I1091 PolarHBondContact O-N 2.83Å; V1088-Q1092 WeakPolarHBondContact O-CG 3.33Å; V1088-Q1092 PolarHBondContact O-N 3.09Å; V1088-Q1092 VanDerWaalsContact O-N 3.17Å |
| 1089 | A | 68.3 | Low | 65.3 | Low | 51 Ų | 51 | 48 Ų | 48 | 42% | 0.421 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D1087 I1091 Q1092 T1093 | D1087-A1089 PolarHBondContact O-N 2.74Å; A1089-I1091 VanDerWaalsContact C-N 3.32Å; A1089-I1091 PolarHBondContact O-N 3.43Å; A1089-Q1092 PolarHBondContact O-N 3.39Å; A1089-T1093 WeakPolarHBondContact O-CG2 3.18Å; A1089-T1093 PolarHBondContact O-N 2.87Å; A1089-T1093 PolarHBondContact O-OG1 3.5Å |
| 1090 | R | 65.9 | Low | 64 | Low | 83 Ų | 83 | 50.4 Ų | 50.4 | 31% | 0.313 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.1 | -43.1 | 178.6 | 179.5 | 173.2 | 67.9 | 131.6 | -8.8 | 111.8 | D1086 D1087 T1093 L1094 | D1086-R1090 WeakPolarHBondContact O-CB 3.25Å; D1086-R1090 PolarHBondContact O-N 2.91Å; D1087-R1090 PolarHBondContact O-N 3.4Å; D1087-R1090 IonicContact OD1-CZ 3.63Å; D1087-R1090 IonicContact OD1-NE 2.54Å; D1087-R1090 PolarHBondContact OD1-NE 3.11Å; D1087-R1090 IonicContact OD1-NH2 3.58Å; D1087-R1090 PolarHBondContact OD1-NH2 3.28Å; R1090-T1093 WeakPolarHBondContact CA-OG1 3.12Å; R1090-T1093 PolarHBondContact O-N 3.46Å; R1090-T1093 PolarHBondContact O-OG1 3.27Å; R1090-L1094 HydrophobicContact CG-CD1 3.96Å; R1090-L1094 WeakPolarHBondContact O-CG 3.3Å; R1090-L1094 PolarHBondContact O-N 2.75Å |
| 1091 | I | 66.6 | Low | 62.5 | Low | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.5 | -47.6 | -178.5 | -72.5 | -175.1 | 0 | 0 | 0 | 111.3 | F936 T938 L952 V954 D1087 V1088 A1089 T1093 L1094 | F936-I1091 HydrophobicContact CB-CG2 3.7Å; F936-I1091 WeakPolarHBondContact O-CG2 3.32Å; T938-I1091 HydrophobicContact CG2-CB 4.24Å; T938-I1091 HydrophobicContact CG2-CD1 4.41Å; T938-I1091 HydrophobicContact CG2-CG1 3.79Å; T938-I1091 HydrophobicContact CG2-CG2 4.12Å; T938-I1091 WeakPolarHBondContact OG1-CD1 3.3Å; T938-I1091 WeakPolarHBondContact OG1-CG1 3.45Å; L952-I1091 HydrophobicContact CB-CD1 3.54Å; L952-I1091 HydrophobicContact CD2-CD1 3.67Å; L952-I1091 HydrophobicContact CG-CD1 3.58Å; L952-I1091 VanDerWaalsContact O-CD1 3.31Å; L952-I1091 WeakPolarHBondContact O-CD1 3.42Å; V954-I1091 HydrophobicContact CG2-CG2 4.32Å; D1087-I1091 WeakPolarHBondContact O-CB 3.43Å; D1087-I1091 VanDerWaalsContact O-CG1 3.3Å; D1087-I1091 WeakPolarHBondContact O-CG1 3.26Å; D1087-I1091 PolarHBondContact O-N 3.18Å; V1088-I1091 PolarHBondContact O-N 2.83Å; A1089-I1091 VanDerWaalsContact C-N 3.32Å; A1089-I1091 PolarHBondContact O-N 3.43Å; I1091-T1093 PolarHBondContact O-N 2.87Å; I1091-L1094 PolarHBondContact O-N 3.38Å |
| 1092 | Q | 66 | Low | 61.1 | Low | 35 Ų | 35 | 55.6 Ų | 55.6 | 16% | 0.164 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -56.4 | -36 | 173.1 | -68.4 | 176.9 | -21.9 | 0 | 0 | 112.3 | E892 F936 V1088 A1089 T1096 | E892-Q1092 VanDerWaalsContact CD-NE2 3.33Å; E892-Q1092 PolarHBondContact OE1-NE2 3.12Å; F936-Q1092 HydrophobicContact CD2-CG 3.84Å; F936-Q1092 HydrophobicContact CE2-CG 4.15Å; F936-Q1092 HydrophobicContact CG-CG 4.13Å; V1088-Q1092 WeakPolarHBondContact O-CG 3.33Å; V1088-Q1092 PolarHBondContact O-N 3.09Å; V1088-Q1092 VanDerWaalsContact O-N 3.17Å; A1089-Q1092 PolarHBondContact O-N 3.39Å; Q1092-T1096 WeakPolarHBondContact O-CG2 3.47Å; Q1092-T1096 PolarHBondContact O-OG1 3.48Å |
| 1093 | T | 60.9 | Low | 59.6 | Low | 74 Ų | 74 | 56 Ų | 56 | 45% | 0.454 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -77.6 | -11.4 | 176.1 | 60.1 | 0 | 0 | 0 | 0 | 115.7 | A1089 R1090 I1091 N1097 | A1089-T1093 WeakPolarHBondContact O-CG2 3.18Å; A1089-T1093 PolarHBondContact O-N 2.87Å; A1089-T1093 PolarHBondContact O-OG1 3.5Å; R1090-T1093 WeakPolarHBondContact CA-OG1 3.12Å; R1090-T1093 PolarHBondContact O-N 3.46Å; R1090-T1093 PolarHBondContact O-OG1 3.27Å; I1091-T1093 PolarHBondContact O-N 2.87Å; T1093-N1097 PolarHBondContact O-ND2 3.47Å |
| 1094 | L | 54.4 | Low | 58.1 | Low | 78 Ų | 78 | 59.3 Ų | 59.3 | 41% | 0.408 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -87.9 | -46 | -178 | -80.3 | 164 | 0 | 0 | 0 | 112 | T938 R1090 I1091 S1098 | T938-L1094 HydrophobicContact CG2-CB 4.09Å; T938-L1094 HydrophobicContact CG2-CD1 3.8Å; R1090-L1094 HydrophobicContact CG-CD1 3.96Å; R1090-L1094 WeakPolarHBondContact O-CG 3.3Å; R1090-L1094 PolarHBondContact O-N 2.75Å; I1091-L1094 PolarHBondContact O-N 3.38Å; L1094-S1098 PolarHBondContact O-OG 3.3Å |
| 1095 | E | 52.3 | Low | 57 | Low | 43 Ų | 43 | 58.3 Ų | 58.3 | 20% | 0.201 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -81.2 | -23.1 | 179.9 | -80.4 | 165.7 | 129.9 | 0 | 0 | 113.9 | S902 F936 A937 N1097 S1098 | S902-E1095 PolarHBondContact OG-OE1 3.5Å; F936-E1095 VanDerWaalsContact C-OE2 3.23Å; F936-E1095 WeakPolarHBondContact CA-OE2 3.35Å; F936-E1095 HydrophobicContact CD1-CB 4.36Å; A937-E1095 PolarHBondContact N-OE2 3.5Å; A937-E1095 VanDerWaalsContact O-CD 3.3Å; E1095-N1097 PolarHBondContact O-N 3.5Å; E1095-S1098 WeakPolarHBondContact O-CB 3.35Å; E1095-S1098 PolarHBondContact O-N 3.5Å |
| 1096 | T | 46.6 | Very low | 56.3 | Low | 80 Ų | 80 | 60.9 Ų | 60.9 | 49% | 0.491 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 5.6 | 173.4 | 45.8 | 0 | 0 | 0 | 0 | 115.1 | F936 Q1092 | F936-T1096 HydrophobicContact CE1-CG2 4.04Å; Q1092-T1096 WeakPolarHBondContact O-CG2 3.47Å; Q1092-T1096 PolarHBondContact O-OG1 3.48Å |
| 1097 | N | 35.8 | Very low | 55.3 | Low | 80 Ų | 80 | 63.4 Ų | 63.4 | 43% | 0.428 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.4 | 13.5 | 171.9 | -50.4 | -102.1 | 0 | 0 | 0 | 111 | N607 T1093 E1095 | N607-N1097 WeakPolarHBondContact CB-OD1 3.03Å; N607-N1097 VanDerWaalsContact ND2-CG 3.31Å; N607-N1097 PolarHBondContact ND2-ND2 3.11Å; N607-N1097 PolarHBondContact ND2-OD1 3.33Å; N607-N1097 PolarHBondContact OD1-OD1 3.45Å; T1093-N1097 PolarHBondContact O-ND2 3.47Å; E1095-N1097 PolarHBondContact O-N 3.5Å |
| 1098 | S | 35.5 | Very low | 54.3 | Low | 97 Ų | 97 | 67.6 Ų | 67.6 | 68% | 0.678 | 39% | 0.392 | S | S | * | . | trans | -102.4 | 1.4 | 170.9 | -52.9 | 0 | 0 | 0 | 0 | 111.8 | L1094 E1095 | L1094-S1098 PolarHBondContact O-OG 3.3Å; E1095-S1098 WeakPolarHBondContact O-CB 3.35Å; E1095-S1098 PolarHBondContact O-N 3.5Å | ||
| 1099 | V | 29.8 | Very low | 52.9 | Low | 187 Ų | 187 | 73.6 Ų | 73.6 | 100% | 1.133 | 43% | 0.427 | S | S | * | . | trans | -127.7 | 0 | 168.3 | -174.1 | 0 | 0 | 0 | 0 | 106.2 |
Retrieved 1,099 of 1,099 residues in 554.3 ms
(Link to these results)