| 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 | T | 42.8 | Very low | 44.9 | Very low | 198 Ų | 198 | 142.9 Ų | 142.9 | 100% | 1.215 | 79% | 0.786 | S | S | * | * | 0 | 101.9 | 0 | 5.7 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 2 | M | 30.4 | Very low | 47.7 | Very low | 189 Ų | 189 | 131.8 Ų | 131.8 | 93% | 0.931 | 73% | 0.726 | S | S | * | * | trans | -179.8 | 84.8 | 144.4 | -96 | -171.1 | 106.1 | 0 | 0 | 103.7 | Q4 | M2-Q4 PolarHBondContact O-N 3.39Š| ||
| 3 | G | 31.2 | Very low | 50.2 | Low | 73 Ų | 73 | 126.2 Ų | 126.2 | 75% | 0.753 | 69% | 0.694 | S | S | * | * | trans | -60.3 | 121 | 170.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | V5 | G3-V5 PolarHBondContact O-N 3.08Å; G3-V5 VanDerWaalsContact O-N 3.13Å | ||
| 4 | Q | 35.1 | Very low | 52.3 | Low | 191 Ų | 191 | 124 Ų | 124 | 89% | 0.893 | 68% | 0.681 | S | S | * | * | trans | -65.4 | 106.7 | 157.9 | -75.5 | 177.6 | -23 | 0 | 0 | 105.4 | M2 E6 | M2-Q4 PolarHBondContact O-N 3.39Å; Q4-E6 VanDerWaalsContact C-N 3.25Å; Q4-E6 PolarHBondContact O-N 3.19Å | ||
| 5 | V | 34 | Very low | 54.3 | Low | 133 Ų | 133 | 117.3 Ų | 117.3 | 81% | 0.806 | 64% | 0.644 | S | S | * | * | trans | -64.6 | 98.3 | 161.3 | 177.6 | 0 | 0 | 0 | 0 | 104.3 | G3 E7 | G3-V5 PolarHBondContact O-N 3.08Å; G3-V5 VanDerWaalsContact O-N 3.13Å; V5-E7 PolarHBondContact O-N 3.41Å; V5-E7 VanDerWaalsContact O-N 3.09Å | ||
| 6 | E | 38.3 | Very low | 56.2 | Low | 179 Ų | 179 | 110 Ų | 110 | 84% | 0.836 | 60% | 0.604 | S | S | * | * | trans | -54 | 113.1 | 157.9 | -80.5 | 178.6 | 148.2 | 0 | 0 | 105.7 | Q4 A8 | Q4-E6 VanDerWaalsContact C-N 3.25Å; Q4-E6 PolarHBondContact O-N 3.19Å; E6-A8 PolarHBondContact O-N 3.2Å | ||
| 7 | E | 39.2 | Very low | 57.8 | Low | 181 Ų | 181 | 108.1 Ų | 108.1 | 85% | 0.846 | 60% | 0.596 | S | S | * | * | trans | -51.7 | 111.7 | 162.7 | -79.1 | 178.2 | 153.6 | 0 | 0 | 106 | V5 R9 | V5-E7 PolarHBondContact O-N 3.41Å; V5-E7 VanDerWaalsContact O-N 3.09Å; E7-R9 PolarHBondContact O-N 3.14Å | ||
| 8 | A | 43.6 | Very low | 59.3 | Low | 95 Ų | 95 | 107.9 Ų | 107.9 | 79% | 0.785 | 60% | 0.603 | S | S | * | * | trans | -54.5 | 105.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | E6 V10 | E6-A8 PolarHBondContact O-N 3.2Å; A8-V10 PolarHBondContact O-N 3.14Å; A8-V10 VanDerWaalsContact O-N 3.14Å | ||
| 9 | R | 56.9 | Low | 60.5 | Low | 202 Ų | 202 | 104.9 Ų | 104.9 | 76% | 0.762 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 119.6 | 172.7 | -79.9 | -175.3 | 175.7 | -179.6 | 0.5 | 106.8 | E7 S11 | E7-R9 PolarHBondContact O-N 3.14Å; R9-S11 PolarHBondContact O-N 3.15Å |
| 10 | V | 63.3 | Low | 61.8 | Low | 100 Ų | 100 | 103.4 Ų | 103.4 | 61% | 0.606 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -62 | 128.8 | 174.6 | -174 | 0 | 0 | 0 | 0 | 107.4 | A8 C12 L15 | A8-V10 PolarHBondContact O-N 3.14Å; A8-V10 VanDerWaalsContact O-N 3.14Å; V10-C12 PolarHBondContact O-N 2.92Å; V10-L15 HydrophobicContact CB-CD1 4.3Å; V10-L15 HydrophobicContact CB-CG 4.44Å; V10-L15 HydrophobicContact CG1-CD1 4.1Å; V10-L15 HydrophobicContact CG1-CD2 3.86Å; V10-L15 HydrophobicContact CG1-CG 3.71Å |
| 11 | S | 78.7 | Confident | 62.9 | Low | 31 Ų | 31 | 106.8 Ų | 106.8 | 22% | 0.217 | 58% | 0.58 | C | S | . | * | P | Polyproline II helix | trans | -61.7 | 129.6 | 178 | 167.1 | 0 | 0 | 0 | 0 | 110.2 | R9 L13 D14 L15 E73 | R9-S11 PolarHBondContact O-N 3.15Å; S11-L13 PolarHBondContact O-N 3.35Å; S11-L13 WeakPolarHBondContact OG-CB 3.43Å; S11-L13 PolarHBondContact OG-N 3.49Å; S11-D14 PolarHBondContact O-N 2.97Å; S11-D14 VanDerWaalsContact O-N 3.15Å; S11-L15 WeakPolarHBondContact O-CG 3.48Å; S11-L15 PolarHBondContact O-N 3.34Å; S11-E73 VanDerWaalsContact C-OE1 3.3Å; S11-E73 WeakPolarHBondContact CA-OE1 3.46Å; S11-E73 WeakPolarHBondContact CB-OE1 3.37Å; S11-E73 VanDerWaalsContact OG-CD 3.26Å; S11-E73 PolarHBondContact OG-OE1 3.06Å; S11-E73 PolarHBondContact OG-OE2 2.93Å |
| 12 | C | 78.7 | Confident | 64.9 | Low | 10 Ų | 10 | 100.5 Ų | 100.5 | 7% | 0.068 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -61.9 | -30.6 | 174.4 | -71.9 | 0 | 0 | 0 | 0 | 111.2 | V10 L15 L16 E73 C76 E77 | V10-C12 PolarHBondContact O-N 2.92Å; C12-L15 PolarHBondContact O-N 3.07Å; C12-L16 WeakPolarHBondContact O-CB 3.44Å; C12-L16 VanDerWaalsContact O-CG 3.29Å; C12-L16 WeakPolarHBondContact O-CG 3.33Å; C12-L16 PolarHBondContact O-N 2.95Å; C12-E73 PolarHBondContact N-OE1 3.19Å; C12-C76 HydrophobicContact CB-CB 3.86Å; C12-E77 HydrophobicContact CB-CB 4.27Å |
| 13 | L | 80.3 | Confident | 67.5 | Low | 59 Ų | 59 | 91.5 Ų | 91.5 | 31% | 0.309 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.1 | -46.2 | 171.5 | -172 | 78.1 | 0 | 0 | 0 | 112 | S11 T17 Q69 E73 | S11-L13 PolarHBondContact O-N 3.35Å; S11-L13 WeakPolarHBondContact OG-CB 3.43Å; S11-L13 PolarHBondContact OG-N 3.49Å; L13-T17 WeakPolarHBondContact O-CB 3.36Å; L13-T17 PolarHBondContact O-N 3.21Å; L13-T17 VanDerWaalsContact O-N 3.1Å; L13-T17 PolarHBondContact O-OG1 3.39Å; L13-Q69 HydrophobicContact CD1-CB 3.78Å; L13-Q69 HydrophobicContact CD1-CG 3.81Å; L13-E73 VanDerWaalsContact CB-OE2 3.23Å; L13-E73 WeakPolarHBondContact CB-OE2 3.41Å; L13-E73 PolarHBondContact N-OE2 3.4Å |
| 14 | D | 79.4 | Confident | 70 | Confident | 95 Ų | 95 | 88.6 Ų | 88.6 | 51% | 0.508 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.5 | -40.5 | 178.4 | -70.4 | -27.2 | 0 | 0 | 0 | 111 | S11 T17 C18 | S11-D14 PolarHBondContact O-N 2.97Å; S11-D14 VanDerWaalsContact O-N 3.15Å; D14-T17 PolarHBondContact O-N 2.93Å; D14-C18 WeakPolarHBondContact O-CB 3.4Å; D14-C18 PolarHBondContact O-N 3.02Å; D14-C18 PolarHBondContact O-SG 3.49Å; D14-C18 VanDerWaalsContact O-SG 3.38Å |
| 15 | L | 83 | Confident | 72.2 | Confident | 24 Ų | 24 | 83.8 Ų | 83.8 | 13% | 0.126 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -60 | -49.1 | 175.6 | -73.1 | 168.9 | 0 | 0 | 0 | 112.3 | V10 S11 C12 T17 C18 H19 I100 | V10-L15 HydrophobicContact CB-CD1 4.3Å; V10-L15 HydrophobicContact CB-CG 4.44Å; V10-L15 HydrophobicContact CG1-CD1 4.1Å; V10-L15 HydrophobicContact CG1-CD2 3.86Å; V10-L15 HydrophobicContact CG1-CG 3.71Å; S11-L15 WeakPolarHBondContact O-CG 3.48Å; S11-L15 PolarHBondContact O-N 3.34Å; C12-L15 PolarHBondContact O-N 3.07Å; L15-T17 PolarHBondContact O-N 2.79Å; L15-C18 PolarHBondContact O-N 3.47Å; L15-H19 PolarHBondContact O-CD2 3.18Å; L15-H19 VanDerWaalsContact O-CD2 3.24Å; L15-H19 PolarHBondContact O-N 2.99Å; L15-I100 HydrophobicContact CD2-CG2 4.2Å |
| 16 | L | 84.4 | Confident | 74.2 | Confident | 0 Ų | 0 | 78.8 Ų | 78.8 | 0% | 0 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -65.1 | -29.7 | 178.7 | -68.1 | -178.5 | 0 | 0 | 0 | 112 | C12 R20 L23 L65 V68 C76 F79 V80 W96 | C12-L16 WeakPolarHBondContact O-CB 3.44Å; C12-L16 VanDerWaalsContact O-CG 3.29Å; C12-L16 WeakPolarHBondContact O-CG 3.33Å; C12-L16 PolarHBondContact O-N 2.95Å; L16-R20 WeakPolarHBondContact O-CA 3.35Å; L16-R20 WeakPolarHBondContact O-CB 3.27Å; L16-R20 PolarHBondContact O-N 3.46Å; L16-L23 HydrophobicContact CD2-CD1 3.5Å; L16-L23 VanDerWaalsContact CD2-CD1 3.5Å; L16-L65 HydrophobicContact CD2-CD2 4.29Å; L16-V68 HydrophobicContact CD1-CG1 4.33Å; L16-C76 HydrophobicContact CD1-CB 3.73Å; L16-F79 HydrophobicContact CD1-CD1 4.08Å; L16-F79 HydrophobicContact CD2-CD1 3.84Å; L16-F79 HydrophobicContact CD2-CE1 3.87Å; L16-V80 HydrophobicContact CD2-CG2 3.9Å; L16-V80 HydrophobicContact CG-CG2 4.4Å; L16-W96 HydrophobicContact CD2-CH2 4.46Å |
| 17 | T | 83.6 | Confident | 76.1 | Confident | 78 Ų | 78 | 70.7 Ų | 70.7 | 48% | 0.479 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -72.7 | -47.2 | 176 | -56 | 0 | 0 | 0 | 0 | 111.4 | L13 D14 L15 H19 Q69 | L13-T17 WeakPolarHBondContact O-CB 3.36Å; L13-T17 PolarHBondContact O-N 3.21Å; L13-T17 VanDerWaalsContact O-N 3.1Å; L13-T17 PolarHBondContact O-OG1 3.39Å; D14-T17 PolarHBondContact O-N 2.93Å; L15-T17 PolarHBondContact O-N 2.79Å; T17-H19 PolarHBondContact O-N 3.37Å; T17-Q69 PolarHBondContact OG1-NE2 3.2Å |
| 18 | C | 83.7 | Confident | 77.7 | Confident | 105 Ų | 105 | 69.7 Ų | 69.7 | 71% | 0.709 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -64.8 | -36.8 | 178.8 | -72.7 | 0 | 0 | 0 | 0 | 112.9 | D14 L15 | D14-C18 WeakPolarHBondContact O-CB 3.4Å; D14-C18 PolarHBondContact O-N 3.02Å; D14-C18 PolarHBondContact O-SG 3.49Å; D14-C18 VanDerWaalsContact O-SG 3.38Å; L15-C18 PolarHBondContact O-N 3.47Å |
| 19 | H | 83.1 | Confident | 79.1 | Confident | 51 Ų | 51 | 65.9 Ų | 65.9 | 24% | 0.236 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 18.8 | -176.1 | -61.2 | -77.3 | 0 | 0 | 0 | 113.7 | L15 T17 E21 L22 L23 W96 | L15-H19 PolarHBondContact O-CD2 3.18Å; L15-H19 VanDerWaalsContact O-CD2 3.24Å; L15-H19 PolarHBondContact O-N 2.99Å; T17-H19 PolarHBondContact O-N 3.37Å; H19-E21 VanDerWaalsContact C-N 3.33Å; H19-E21 PolarHBondContact O-N 3.46Å; H19-L22 WeakPolarHBondContact O-CB 3.43Å; H19-L22 PolarHBondContact O-N 3.06Å; H19-L23 WeakPolarHBondContact O-CG 3.49Å; H19-L23 PolarHBondContact O-N 2.93Å; H19-W96 HydrophobicContact CB-CZ2 4.14Å; H19-W96 AromaticContact CD2-NE1 3.38Å; H19-W96 PolarHBondContact CD2-NE1 3.15Å; H19-W96 AromaticContact CE1-NE1 3.73Å; H19-W96 AromaticContact CG-NE1 3.23Å; H19-W96 AromaticContact ND1-CD1 3.92Å; H19-W96 AromaticContact ND1-NE1 3.47Å; H19-W96 PolarHBondContact ND1-NE1 3.23Å; H19-W96 AromaticContact NE2-NE1 3.69Å |
| 20 | R | 85.9 | Confident | 80.3 | Confident | 74 Ų | 74 | 56.9 Ų | 56.9 | 28% | 0.279 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -55.9 | -43.2 | -175.9 | -174.6 | 170 | -179.8 | 158.9 | -1.3 | 113.2 | L16 V24 L65 E66 | L16-R20 WeakPolarHBondContact O-CA 3.35Å; L16-R20 WeakPolarHBondContact O-CB 3.27Å; L16-R20 PolarHBondContact O-N 3.46Å; R20-V24 HydrophobicContact CG-CG2 4.42Å; R20-V24 WeakPolarHBondContact O-CB 3.48Å; R20-V24 WeakPolarHBondContact O-CG2 3.48Å; R20-V24 PolarHBondContact O-N 2.78Å; R20-L65 HydrophobicContact CG-CD1 4.03Å; R20-E66 IonicContact NH2-OE1 2.66Å; R20-E66 PolarHBondContact NH2-OE1 3.24Å |
| 21 | E | 85.2 | Confident | 81.1 | Confident | 174 Ų | 174 | 56.3 Ų | 56.3 | 81% | 0.813 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -66.9 | -41.3 | -179.4 | -64.4 | -168.9 | 162.3 | 0 | 0 | 112.3 | H19 V24 S25 | H19-E21 VanDerWaalsContact C-N 3.33Å; H19-E21 PolarHBondContact O-N 3.46Å; E21-V24 PolarHBondContact O-N 3.18Å; E21-S25 WeakPolarHBondContact O-CB 3.43Å; E21-S25 PolarHBondContact O-N 2.75Å; E21-S25 PolarHBondContact O-OG 2.9Å |
| 22 | L | 85.6 | Confident | 81.3 | Confident | 66 Ų | 66 | 54.9 Ų | 54.9 | 35% | 0.346 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.8 | -52.9 | 175.7 | 179.2 | 66.8 | 0 | 0 | 0 | 110.1 | H19 V24 S25 T26 W96 | H19-L22 WeakPolarHBondContact O-CB 3.43Å; H19-L22 PolarHBondContact O-N 3.06Å; L22-V24 VanDerWaalsContact C-N 3.35Å; L22-V24 PolarHBondContact O-N 2.74Å; L22-S25 PolarHBondContact O-N 3.24Å; L22-S25 VanDerWaalsContact O-N 3.14Å; L22-S25 PolarHBondContact O-OG 2.92Å; L22-T26 HydrophobicContact CD1-CG2 3.99Å; L22-T26 WeakPolarHBondContact O-CB 3.36Å; L22-T26 WeakPolarHBondContact O-CG2 3.39Å; L22-T26 PolarHBondContact O-N 3.27Å; L22-T26 PolarHBondContact O-OG1 3.47Å; L22-W96 HydrophobicContact CD2-CB 4.01Å; L22-W96 HydrophobicContact CD2-CD2 4.49Å; L22-W96 HydrophobicContact CD2-CG 3.77Å |
| 23 | L | 84.3 | Confident | 81.6 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61 | -41.2 | -179 | -68.4 | 168.9 | 0 | 0 | 0 | 112.4 | L16 H19 S25 T26 L27 L65 I83 L93 W96 | L16-L23 HydrophobicContact CD2-CD1 3.5Å; L16-L23 VanDerWaalsContact CD2-CD1 3.5Å; H19-L23 WeakPolarHBondContact O-CG 3.49Å; H19-L23 PolarHBondContact O-N 2.93Å; L23-S25 VanDerWaalsContact C-N 3.31Å; L23-S25 PolarHBondContact O-N 2.6Å; L23-T26 PolarHBondContact O-N 2.78Å; L23-L27 HydrophobicContact CB-CD1 4.09Å; L23-L27 HydrophobicContact CD2-CD1 4.23Å; L23-L27 VanDerWaalsContact O-CB 3.26Å; L23-L27 WeakPolarHBondContact O-CB 3.46Å; L23-L27 WeakPolarHBondContact O-CG 2.88Å; L23-L27 PolarHBondContact O-N 3.09Å; L23-L65 HydrophobicContact CB-CD1 4.15Å; L23-L65 HydrophobicContact CD1-CD1 4.49Å; L23-L65 HydrophobicContact CD1-CD2 4.11Å; L23-I83 HydrophobicContact CD2-CD1 4.49Å; L23-L93 HydrophobicContact CD2-CD1 3.85Å; L23-L93 HydrophobicContact CD2-CD2 3.86Å; L23-W96 HydrophobicContact CD1-CH2 4.37Å; L23-W96 HydrophobicContact CD2-CE3 4.33Å; L23-W96 HydrophobicContact CD2-CH2 4.04Å; L23-W96 HydrophobicContact CD2-CZ3 3.91Å |
| 24 | V | 84.6 | Confident | 81.8 | Confident | 13 Ų | 13 | 51.7 Ų | 51.7 | 8% | 0.079 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.5 | -32.7 | 177.5 | 171.6 | 0 | 0 | 0 | 0 | 112.4 | R20 E21 L22 P58 V61 R62 L65 | R20-V24 HydrophobicContact CG-CG2 4.42Å; R20-V24 WeakPolarHBondContact O-CB 3.48Å; R20-V24 WeakPolarHBondContact O-CG2 3.48Å; R20-V24 PolarHBondContact O-N 2.78Å; E21-V24 PolarHBondContact O-N 3.18Å; L22-V24 VanDerWaalsContact C-N 3.35Å; L22-V24 PolarHBondContact O-N 2.74Å; V24-P58 HydrophobicContact CG1-CB 3.83Å; V24-V61 HydrophobicContact CG2-CB 4.5Å; V24-V61 HydrophobicContact CG2-CG1 4.02Å; V24-R62 HydrophobicContact CG1-CG 4.07Å; V24-R62 HydrophobicContact CG2-CG 3.58Å; V24-L65 HydrophobicContact CG2-CD1 3.99Å |
| 25 | S | 80.6 | Confident | 82.1 | Confident | 90 Ų | 90 | 49.6 Ų | 49.6 | 63% | 0.629 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -81 | -23.4 | 178.9 | 70.5 | 0 | 0 | 0 | 0 | 114 | E21 L22 L23 | E21-S25 WeakPolarHBondContact O-CB 3.43Å; E21-S25 PolarHBondContact O-N 2.75Å; E21-S25 PolarHBondContact O-OG 2.9Å; L22-S25 PolarHBondContact O-N 3.24Å; L22-S25 VanDerWaalsContact O-N 3.14Å; L22-S25 PolarHBondContact O-OG 2.92Å; L23-S25 VanDerWaalsContact C-N 3.31Å; L23-S25 PolarHBondContact O-N 2.6Å |
| 26 | T | 76.1 | Confident | 82.2 | Confident | 28 Ų | 28 | 48.6 Ų | 48.6 | 17% | 0.172 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -109.4 | -30.5 | -170.4 | 51.4 | 0 | 0 | 0 | 0 | 114.2 | L22 L23 R28 L93 | L22-T26 HydrophobicContact CD1-CG2 3.99Å; L22-T26 WeakPolarHBondContact O-CB 3.36Å; L22-T26 WeakPolarHBondContact O-CG2 3.39Å; L22-T26 PolarHBondContact O-N 3.27Å; L22-T26 PolarHBondContact O-OG1 3.47Å; L23-T26 PolarHBondContact O-N 2.78Å; T26-R28 PolarHBondContact O-N 3.47Å; T26-L93 VanDerWaalsContact OG1-CD2 3.26Å; T26-L93 WeakPolarHBondContact OG1-CD2 3.34Å |
| 27 | L | 79.1 | Confident | 82.4 | Confident | 8 Ų | 8 | 48.6 Ų | 48.6 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | trans | -71.8 | 113.2 | -179.4 | -74.6 | 170.8 | 0 | 0 | 0 | 111.9 | L23 L33 V61 F79 I83 Y90 L93 | L23-L27 HydrophobicContact CB-CD1 4.09Å; L23-L27 HydrophobicContact CD2-CD1 4.23Å; L23-L27 VanDerWaalsContact O-CB 3.26Å; L23-L27 WeakPolarHBondContact O-CB 3.46Å; L23-L27 WeakPolarHBondContact O-CG 2.88Å; L23-L27 PolarHBondContact O-N 3.09Å; L27-L33 HydrophobicContact CD1-CD1 4.4Å; L27-L33 HydrophobicContact CD2-CD1 4.26Å; L27-V61 HydrophobicContact CB-CG1 4.11Å; L27-V61 HydrophobicContact CB-CG2 3.86Å; L27-V61 HydrophobicContact CD1-CG1 3.7Å; L27-V61 HydrophobicContact CG-CG1 4.5Å; L27-F79 HydrophobicContact CD1-CZ 3.77Å; L27-I83 HydrophobicContact CD2-CD1 4.26Å; L27-Y90 HydrophobicContact CD2-CD1 3.44Å; L27-Y90 VanDerWaalsContact CD2-CD1 3.44Å; L27-Y90 HydrophobicContact CD2-CE1 3.6Å; L27-Y90 HydrophobicContact CD2-CG 4.49Å; L27-L93 HydrophobicContact CD2-CD1 3.4Å; L27-L93 VanDerWaalsContact CD2-CD1 3.4Å; L27-L93 HydrophobicContact CG-CD1 3.85Å | ||
| 28 | R | 71.1 | Confident | 82.6 | Confident | 160 Ų | 160 | 47.7 Ų | 47.7 | 60% | 0.604 | 24% | 0.243 | S | C | * | . | trans | -109.1 | -34.8 | -179.1 | -62.8 | -178.5 | -174.1 | -159.6 | 2.9 | 114.1 | T26 K57 | T26-R28 PolarHBondContact O-N 3.47Å; R28-K57 PolarHBondContact O-NZ 3.25Å | ||
| 29 | S | 74.2 | Confident | 82.7 | Confident | 15 Ų | 15 | 46.4 Ų | 46.4 | 11% | 0.105 | 24% | 0.24 | C | C | . | . | trans | -91.4 | 114 | 174.1 | -169.9 | 0 | 0 | 0 | 0 | 109.1 | Y90 D117 | S29-Y90 WeakPolarHBondContact O-CE1 3.14Å; S29-Y90 PolarHBondContact O-OH 2.93Å; S29-D117 WeakPolarHBondContact CB-OD1 3.18Å; S29-D117 PolarHBondContact OG-OD1 3.05Å | ||
| 30 | I | 81.1 | Confident | 82.9 | Confident | 13 Ų | 13 | 46.2 Ų | 46.2 | 7% | 0.067 | 24% | 0.241 | C | C | . | . | trans | -110.3 | -38.3 | -173 | -66.9 | 173 | 0 | 0 | 0 | 110.5 | C32 L33 L34 K57 Q60 V61 I64 | I30-C32 VanDerWaalsContact C-N 3.29Å; I30-C32 PolarHBondContact O-N 3.37Å; I30-L33 WeakPolarHBondContact O-CB 3.18Å; I30-L33 PolarHBondContact O-N 3.46Å; I30-L33 VanDerWaalsContact O-N 3.09Å; I30-L34 HydrophobicContact CG2-CD1 3.91Å; I30-L34 HydrophobicContact CG2-CG 4.25Å; I30-L34 WeakPolarHBondContact O-CG 3.45Å; I30-L34 PolarHBondContact O-N 3.07Å; I30-L34 VanDerWaalsContact O-N 3.13Å; I30-K57 HydrophobicContact CD1-CB 3.99Å; I30-K57 HydrophobicContact CD1-CG 4.26Å; I30-Q60 HydrophobicContact CD1-CB 3.8Å; I30-V61 HydrophobicContact CD1-CG2 3.65Å; I30-V61 HydrophobicContact CG1-CG2 3.92Å; I30-I64 HydrophobicContact CG2-CD1 3.3Å | ||
| 31 | Q | 81.4 | Confident | 82.8 | Confident | 88 Ų | 88 | 53.7 Ų | 53.7 | 41% | 0.411 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.6 | -40.2 | -177.7 | -166.6 | 58.5 | 45 | 0 | 0 | 111.5 | L33 L34 D35 | Q31-L33 VanDerWaalsContact C-N 3.29Å; Q31-L33 PolarHBondContact O-N 3.34Å; Q31-L34 PolarHBondContact O-N 3.36Å; Q31-L34 VanDerWaalsContact O-N 3.13Å; Q31-D35 PolarHBondContact NE2-OD1 2.68Å; Q31-D35 PolarHBondContact O-N 3.38Å |
| 32 | C | 82.5 | Confident | 82.8 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.007 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.7 | -32.8 | 177 | -172.2 | 0 | 0 | 0 | 0 | 113.6 | I30 N36 I86 T116 D117 | I30-C32 VanDerWaalsContact C-N 3.29Å; I30-C32 PolarHBondContact O-N 3.37Å; C32-N36 PolarHBondContact O-N 3.32Å; C32-N36 PolarHBondContact O-ND2 3.4Å; C32-I86 WeakPolarHBondContact SG-CD1 3.22Å; C32-T116 VanDerWaalsContact CA-OG1 3.3Å; C32-T116 WeakPolarHBondContact CA-OG1 3.26Å; C32-D117 HydrophobicContact CB-CB 4.17Å |
| 33 | L | 84.3 | Confident | 83 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.3 | -46.4 | 173.5 | -61.2 | 171.1 | 0 | 0 | 0 | 110.4 | L27 I30 Q31 D35 N36 L37 F79 I82 I83 Y90 | L27-L33 HydrophobicContact CD1-CD1 4.4Å; L27-L33 HydrophobicContact CD2-CD1 4.26Å; I30-L33 WeakPolarHBondContact O-CB 3.18Å; I30-L33 PolarHBondContact O-N 3.46Å; I30-L33 VanDerWaalsContact O-N 3.09Å; Q31-L33 VanDerWaalsContact C-N 3.29Å; Q31-L33 PolarHBondContact O-N 3.34Å; L33-D35 PolarHBondContact O-N 3.08Å; L33-N36 PolarHBondContact O-N 3.36Å; L33-L37 WeakPolarHBondContact O-CB 3.46Å; L33-L37 WeakPolarHBondContact O-CD1 3.45Å; L33-L37 WeakPolarHBondContact O-CG 3.35Å; L33-L37 PolarHBondContact O-N 3.48Å; L33-F79 HydrophobicContact CD1-CE2 3.75Å; L33-F79 HydrophobicContact CD1-CZ 4.21Å; L33-F79 HydrophobicContact CD2-CE2 4.39Å; L33-F79 HydrophobicContact CG-CE2 4.5Å; L33-I82 HydrophobicContact CD2-CB 4.18Å; L33-I82 HydrophobicContact CD2-CG2 3.67Å; L33-I83 HydrophobicContact CD2-CG1 4.25Å; L33-Y90 HydrophobicContact CD1-CE1 4.29Å; L33-Y90 HydrophobicContact CD2-CE1 4.29Å; L33-Y90 HydrophobicContact CD2-CE2 4.06Å; L33-Y90 WeakPolarHBondContact CD2-OH 3.49Å; L33-Y90 HydrophobicContact CG-CE1 4.31Å; L33-Y90 WeakPolarHBondContact CG-OH 3.46Å |
| 34 | L | 84.8 | Confident | 83.2 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.5 | -44.6 | -178.9 | -66.1 | 173.5 | 0 | 0 | 0 | 111.7 | I30 Q31 N36 L37 L38 F43 V48 V51 I64 | I30-L34 HydrophobicContact CG2-CD1 3.91Å; I30-L34 HydrophobicContact CG2-CG 4.25Å; I30-L34 WeakPolarHBondContact O-CG 3.45Å; I30-L34 PolarHBondContact O-N 3.07Å; I30-L34 VanDerWaalsContact O-N 3.13Å; Q31-L34 PolarHBondContact O-N 3.36Å; Q31-L34 VanDerWaalsContact O-N 3.13Å; L34-N36 PolarHBondContact O-N 2.94Å; L34-L37 PolarHBondContact O-N 3.05Å; L34-L38 VanDerWaalsContact O-CB 3.23Å; L34-L38 WeakPolarHBondContact O-CB 3.4Å; L34-L38 PolarHBondContact O-N 3.21Å; L34-F43 HydrophobicContact CD2-CD2 3.94Å; L34-F43 HydrophobicContact CD2-CE2 3.73Å; L34-V48 HydrophobicContact CB-CG1 4.5Å; L34-V48 HydrophobicContact CB-CG2 4.46Å; L34-V48 HydrophobicContact CD1-CG1 4.32Å; L34-V48 HydrophobicContact CD2-CG2 4.48Å; L34-V51 HydrophobicContact CD1-CB 4.42Å; L34-V51 HydrophobicContact CD1-CG1 4.02Å; L34-V51 HydrophobicContact CD2-CB 4.29Å; L34-V51 HydrophobicContact CD2-CG1 4.26Å; L34-V51 HydrophobicContact CD2-CG2 4.22Å; L34-I64 HydrophobicContact CD2-CD1 3.92Å; L34-I64 HydrophobicContact CD2-CG1 3.92Å; L34-I64 HydrophobicContact CG-CD1 4.19Å |
| 35 | D | 84.8 | Confident | 83.2 | Confident | 50 Ų | 50 | 53.7 Ų | 53.7 | 27% | 0.267 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62 | -42.7 | -179.9 | -61.7 | -21.1 | 0 | 0 | 0 | 111.6 | Q31 L33 A39 T116 | Q31-D35 PolarHBondContact NE2-OD1 2.68Å; Q31-D35 PolarHBondContact O-N 3.38Å; L33-D35 PolarHBondContact O-N 3.08Å; D35-A39 WeakPolarHBondContact O-CB 3.36Å; D35-A39 PolarHBondContact O-N 3.16Å; D35-T116 HydrophobicContact CB-CG2 4.07Å; D35-T116 WeakPolarHBondContact OD2-CB 3.49Å; D35-T116 PolarHBondContact OD2-OG1 2.67Å |
| 36 | N | 86.1 | Confident | 83.4 | Confident | 3 Ų | 3 | 56.4 Ų | 56.4 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -72.6 | -38.7 | 179.8 | -79.9 | -79.6 | 0 | 0 | 0 | 112.6 | C32 L33 L34 L38 N40 F78 I82 V113 V114 | C32-N36 PolarHBondContact O-N 3.32Å; C32-N36 PolarHBondContact O-ND2 3.4Å; L33-N36 PolarHBondContact O-N 3.36Å; L34-N36 PolarHBondContact O-N 2.94Å; N36-L38 VanDerWaalsContact C-N 3.35Å; N36-N40 PolarHBondContact O-N 3.44Å; N36-N40 VanDerWaalsContact O-N 3.12Å; N36-N40 PolarHBondContact O-ND2 2.93Å; N36-F78 HydrophobicContact CB-CE1 4.48Å; N36-I82 HydrophobicContact CB-CD1 3.61Å; N36-I82 HydrophobicContact CB-CG1 3.99Å; N36-V113 WeakPolarHBondContact OD1-CA 3.5Å; N36-V114 PolarHBondContact ND2-O 3.49Å; N36-V114 PolarHBondContact OD1-N 3.02Å; N36-V114 PolarHBondContact OD1-O 2.76Å |
| 37 | L | 87.4 | Confident | 83.9 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.8 | -38.3 | 175.4 | -73.2 | 166.5 | 0 | 0 | 0 | 111.6 | L33 L34 R41 F42 F43 I64 V68 F78 F79 I82 | L33-L37 WeakPolarHBondContact O-CB 3.46Å; L33-L37 WeakPolarHBondContact O-CD1 3.45Å; L33-L37 WeakPolarHBondContact O-CG 3.35Å; L33-L37 PolarHBondContact O-N 3.48Å; L34-L37 PolarHBondContact O-N 3.05Å; L37-R41 PolarHBondContact O-N 2.97Å; L37-F42 HydrophobicContact CD2-CB 4.04Å; L37-F42 PolarHBondContact O-N 3.49Å; L37-F43 HydrophobicContact CB-CB 4.16Å; L37-F43 HydrophobicContact CB-CD1 4.15Å; L37-F43 HydrophobicContact CB-CD2 4.14Å; L37-F43 HydrophobicContact CB-CG 3.88Å; L37-F43 HydrophobicContact CD1-CD1 4.41Å; L37-F43 HydrophobicContact CD1-CD2 4.25Å; L37-F43 HydrophobicContact CD1-CE1 4.11Å; L37-F43 HydrophobicContact CD1-CE2 3.94Å; L37-F43 HydrophobicContact CD1-CG 4.49Å; L37-F43 HydrophobicContact CD1-CZ 3.88Å; L37-F43 PolarHBondContact O-N 3.1Å; L37-F43 VanDerWaalsContact O-N 3.08Å; L37-I64 HydrophobicContact CD1-CG2 4.44Å; L37-V68 HydrophobicContact CD1-CG2 4.01Å; L37-V68 HydrophobicContact CD2-CG2 4.46Å; L37-F78 HydrophobicContact CD2-CD1 3.99Å; L37-F79 HydrophobicContact CD1-CD2 4.45Å; L37-I82 HydrophobicContact CD2-CD1 4.34Å; L37-I82 HydrophobicContact CG-CD1 4.12Å |
| 38 | L | 88.6 | Confident | 84.2 | Confident | 60 Ų | 60 | 56 Ų | 56 | 31% | 0.314 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -69.5 | -47 | 174.8 | -176.4 | 66.5 | 0 | 0 | 0 | 111.3 | L34 N36 N40 R41 F43 E45 V48 | L34-L38 VanDerWaalsContact O-CB 3.23Å; L34-L38 WeakPolarHBondContact O-CB 3.4Å; L34-L38 PolarHBondContact O-N 3.21Å; N36-L38 VanDerWaalsContact C-N 3.35Å; L38-N40 VanDerWaalsContact C-N 3.3Å; L38-N40 PolarHBondContact O-N 3.37Å; L38-R41 PolarHBondContact O-N 2.62Å; L38-F43 WeakPolarHBondContact CD1-O 3.39Å; L38-E45 HydrophobicContact CD1-CG 4.32Å; L38-V48 HydrophobicContact CB-CG2 4.4Å; L38-V48 HydrophobicContact CD1-CG2 4.39Å; L38-V48 HydrophobicContact CD2-CG2 4.38Å |
| 39 | A | 86.5 | Confident | 84.8 | Confident | 77 Ų | 77 | 52.8 Ų | 52.8 | 64% | 0.636 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -61.7 | -34.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D35 R41 | D35-A39 WeakPolarHBondContact O-CB 3.36Å; D35-A39 PolarHBondContact O-N 3.16Å; A39-R41 VanDerWaalsContact C-N 3.32Å |
| 40 | N | 85.9 | Confident | 85.4 | Confident | 47 Ų | 47 | 55.4 Ų | 55.4 | 25% | 0.251 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 11.7 | 176.7 | -68.5 | -84.7 | 0 | 0 | 0 | 113.2 | N36 L38 F42 F78 K112 | N36-N40 PolarHBondContact O-N 3.44Å; N36-N40 VanDerWaalsContact O-N 3.12Å; N36-N40 PolarHBondContact O-ND2 2.93Å; L38-N40 VanDerWaalsContact C-N 3.3Å; L38-N40 PolarHBondContact O-N 3.37Å; N40-F42 VanDerWaalsContact C-N 3.27Å; N40-F42 HydrophobicContact CB-CD2 3.89Å; N40-F42 HydrophobicContact CB-CE2 3.99Å; N40-F42 PolarHBondContact O-N 3.31Å; N40-F78 HydrophobicContact CB-CE1 3.88Å; N40-F78 HydrophobicContact CB-CZ 3.95Å; N40-F78 VanDerWaalsContact ND2-CZ 3.26Å; N40-F78 WeakPolarHBondContact ND2-CZ 3.43Å; N40-K112 PolarHBondContact ND2-O 2.93Å |
| 41 | R | 84 | Confident | 85.6 | Confident | 231 Ų | 231 | 54.8 Ų | 54.8 | 87% | 0.872 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 19.5 | 174.6 | -52.8 | -177.8 | 177.6 | 178.4 | -0.9 | 116 | L37 L38 A39 | L37-R41 PolarHBondContact O-N 2.97Å; L38-R41 PolarHBondContact O-N 2.62Å; A39-R41 VanDerWaalsContact C-N 3.32Å |
| 42 | F | 86.2 | Confident | 85.7 | Confident | 40 Ų | 40 | 55.3 Ų | 55.3 | 18% | 0.175 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -75.2 | -34.8 | 170.4 | -69.8 | -73.4 | 0 | 0 | 0 | 111.4 | L37 N40 K71 D74 A75 F78 M111 | L37-F42 HydrophobicContact CD2-CB 4.04Å; L37-F42 PolarHBondContact O-N 3.49Å; N40-F42 VanDerWaalsContact C-N 3.27Å; N40-F42 HydrophobicContact CB-CD2 3.89Å; N40-F42 HydrophobicContact CB-CE2 3.99Å; N40-F42 PolarHBondContact O-N 3.31Å; F42-K71 WeakPolarHBondContact O-CD 3.09Å; F42-D74 HydrophobicContact CE1-CB 4.05Å; F42-A75 HydrophobicContact CB-CB 4.5Å; F42-A75 HydrophobicContact CD1-CB 3.73Å; F42-A75 HydrophobicContact CE1-CB 4.3Å; F42-A75 HydrophobicContact CG-CB 4.33Å; F42-F78 HydrophobicContact CD2-CB 4.31Å; F42-F78 AromaticContact CD2-CD1 3.46Å; F42-F78 HydrophobicContact CD2-CD1 3.46Å; F42-F78 VanDerWaalsContact CD2-CD1 3.46Å; F42-F78 HydrophobicContact CD2-CE1 4Å; F42-F78 HydrophobicContact CD2-CG 4.01Å; F42-F78 HydrophobicContact CE2-CB 3.77Å; F42-F78 AromaticContact CE2-CD1 3.48Å; F42-F78 HydrophobicContact CE2-CD1 3.48Å; F42-F78 VanDerWaalsContact CE2-CD1 3.48Å; F42-F78 HydrophobicContact CE2-CD2 4.19Å; F42-F78 HydrophobicContact CE2-CE1 4.11Å; F42-F78 AromaticContact CE2-CG 3.54Å; F42-F78 HydrophobicContact CE2-CG 3.54Å; F42-F78 HydrophobicContact CZ-CB 4.04Å; F42-F78 HydrophobicContact CZ-CG 4.27Å; F42-M111 HydrophobicContact CE2-SD 4.06Å; F42-M111 HydrophobicContact CZ-CE 4.18Å; F42-M111 HydrophobicContact CZ-SD 4.22Å |
| 43 | F | 89.8 | Confident | 85.8 | Confident | 7 Ų | 7 | 64.1 Ų | 64.1 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -109.2 | 151.9 | 173.4 | -80.7 | 19.6 | 0 | 0 | 0 | 110.8 | L34 L37 L38 D47 V48 I64 L67 V68 | L34-F43 HydrophobicContact CD2-CD2 3.94Å; L34-F43 HydrophobicContact CD2-CE2 3.73Å; L37-F43 HydrophobicContact CB-CB 4.16Å; L37-F43 HydrophobicContact CB-CD1 4.15Å; L37-F43 HydrophobicContact CB-CD2 4.14Å; L37-F43 HydrophobicContact CB-CG 3.88Å; L37-F43 HydrophobicContact CD1-CD1 4.41Å; L37-F43 HydrophobicContact CD1-CD2 4.25Å; L37-F43 HydrophobicContact CD1-CE1 4.11Å; L37-F43 HydrophobicContact CD1-CE2 3.94Å; L37-F43 HydrophobicContact CD1-CG 4.49Å; L37-F43 HydrophobicContact CD1-CZ 3.88Å; L37-F43 PolarHBondContact O-N 3.1Å; L37-F43 VanDerWaalsContact O-N 3.08Å; L38-F43 WeakPolarHBondContact CD1-O 3.39Å; F43-D47 HydrophobicContact CB-CB 4.14Å; F43-D47 HydrophobicContact CD2-CB 4.08Å; F43-D47 HydrophobicContact CG-CB 4.07Å; F43-V48 HydrophobicContact CD2-CG2 4.4Å; F43-I64 HydrophobicContact CZ-CG2 4.4Å; F43-L67 HydrophobicContact CE1-CB 4Å; F43-L67 HydrophobicContact CE2-CB 4.45Å; F43-L67 HydrophobicContact CE2-CD1 4.4Å; F43-L67 HydrophobicContact CZ-CB 3.64Å; F43-L67 HydrophobicContact CZ-CD1 4.38Å; F43-V68 HydrophobicContact CE1-CG2 3.71Å; F43-V68 HydrophobicContact CZ-CG2 3.68Å |
| 44 | C | 87.9 | Confident | 85.7 | Confident | 57 Ų | 57 | 65.8 Ų | 65.8 | 39% | 0.385 | 32% | 0.318 | S | S | . | . | trans | -103.9 | 169 | 164.8 | 44.6 | 0 | 0 | 0 | 0 | 111.4 | E46 D47 V48 | C44-E46 PolarHBondContact O-N 3.04Å; C44-D47 PolarHBondContact N-OD2 3Å; C44-D47 WeakPolarHBondContact O-CB 3.39Å; C44-D47 PolarHBondContact O-N 3.32Å; C44-D47 VanDerWaalsContact SG-CG 3.51Å; C44-D47 PolarHBondContact SG-OD2 3.37Å; C44-V48 PolarHBondContact O-N 3.35Å | ||
| 45 | E | 84.8 | Confident | 85.3 | Confident | 149 Ų | 149 | 72.3 Ų | 72.3 | 70% | 0.696 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -57.5 | -35.8 | -179.3 | -66.1 | -177.7 | 170.9 | 0 | 0 | 112.2 | L38 D47 V48 E49 | L38-E45 HydrophobicContact CD1-CG 4.32Å; E45-D47 PolarHBondContact O-N 3.15Å; E45-V48 PolarHBondContact O-N 3.08Å; E45-E49 PolarHBondContact O-N 2.91Å |
| 46 | E | 84.9 | Confident | 85.2 | Confident | 147 Ų | 147 | 73 Ų | 73 | 69% | 0.687 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -62.2 | -39.8 | 174.4 | -63.5 | 179.3 | 178.6 | 0 | 0 | 112.6 | C44 V48 E49 I50 | C44-E46 PolarHBondContact O-N 3.04Å; E46-V48 VanDerWaalsContact C-N 3.32Å; E46-V48 PolarHBondContact O-N 3.39Å; E46-E49 PolarHBondContact O-N 3.41Å; E46-I50 WeakPolarHBondContact O-CD1 3.41Å; E46-I50 WeakPolarHBondContact O-CG1 3.38Å; E46-I50 PolarHBondContact O-N 3.09Å |
| 47 | D | 86.4 | Confident | 84.9 | Confident | 16 Ų | 16 | 78.9 Ų | 78.9 | 9% | 0.086 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.1 | -39.8 | 177.4 | -69.3 | -34.9 | 0 | 0 | 0 | 110.8 | F43 C44 E45 I50 V51 L67 K71 | F43-D47 HydrophobicContact CB-CB 4.14Å; F43-D47 HydrophobicContact CD2-CB 4.08Å; F43-D47 HydrophobicContact CG-CB 4.07Å; C44-D47 PolarHBondContact N-OD2 3Å; C44-D47 WeakPolarHBondContact O-CB 3.39Å; C44-D47 PolarHBondContact O-N 3.32Å; C44-D47 VanDerWaalsContact SG-CG 3.51Å; C44-D47 PolarHBondContact SG-OD2 3.37Å; E45-D47 PolarHBondContact O-N 3.15Å; D47-I50 PolarHBondContact O-N 3.18Å; D47-V51 WeakPolarHBondContact O-CG2 3.37Å; D47-V51 PolarHBondContact O-N 2.83Å; D47-L67 HydrophobicContact CB-CD1 4.35Å; D47-K71 IonicContact OD1-NZ 3.35Å; D47-K71 VanDerWaalsContact OD2-CE 3.23Å; D47-K71 WeakPolarHBondContact OD2-CE 3.28Å; D47-K71 IonicContact OD2-NZ 2.88Å; D47-K71 PolarHBondContact OD2-NZ 3.39Å |
| 48 | V | 84.8 | Confident | 84.7 | Confident | 13 Ų | 13 | 81.6 Ų | 81.6 | 8% | 0.079 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -67.3 | -44.4 | 177.2 | 176.7 | 0 | 0 | 0 | 0 | 110.9 | L34 L38 F43 C44 E45 E46 I50 V51 Q52 | L34-V48 HydrophobicContact CB-CG1 4.5Å; L34-V48 HydrophobicContact CB-CG2 4.46Å; L34-V48 HydrophobicContact CD1-CG1 4.32Å; L34-V48 HydrophobicContact CD2-CG2 4.48Å; L38-V48 HydrophobicContact CB-CG2 4.4Å; L38-V48 HydrophobicContact CD1-CG2 4.39Å; L38-V48 HydrophobicContact CD2-CG2 4.38Å; F43-V48 HydrophobicContact CD2-CG2 4.4Å; C44-V48 PolarHBondContact O-N 3.35Å; E45-V48 PolarHBondContact O-N 3.08Å; E46-V48 VanDerWaalsContact C-N 3.32Å; E46-V48 PolarHBondContact O-N 3.39Å; V48-I50 VanDerWaalsContact C-N 3.32Å; V48-I50 PolarHBondContact O-N 2.93Å; V48-V51 PolarHBondContact O-N 3.15Å; V48-Q52 HydrophobicContact CG1-CG 4.36Å; V48-Q52 WeakPolarHBondContact O-CG 3.31Å; V48-Q52 PolarHBondContact O-N 3.21Å |
| 49 | E | 84.9 | Confident | 84.5 | Confident | 91 Ų | 91 | 82.1 Ų | 82.1 | 43% | 0.425 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.2 | -40.7 | 175.6 | -76.5 | -168.1 | -167.2 | 0 | 0 | 112.3 | E45 E46 V51 Q52 R53 | E45-E49 PolarHBondContact O-N 2.91Å; E46-E49 PolarHBondContact O-N 3.41Å; E49-V51 VanDerWaalsContact C-N 3.29Å; E49-V51 PolarHBondContact O-N 2.95Å; E49-Q52 PolarHBondContact O-N 3.4Å; E49-R53 WeakPolarHBondContact O-CB 3.28Å; E49-R53 VanDerWaalsContact O-CG 3.23Å; E49-R53 WeakPolarHBondContact O-CG 3.24Å; E49-R53 PolarHBondContact O-N 3.19Å; E49-R53 IonicContact OE2-CZ 2.7Å; E49-R53 IonicContact OE2-NE 3.51Å; E49-R53 IonicContact OE2-NH2 3.84Å; E49-R53 PolarHBondContact OE2-NH2 2.98Å |
| 50 | I | 86 | Confident | 84.4 | Confident | 71 Ų | 71 | 80.1 Ų | 80.1 | 36% | 0.364 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59.3 | -42.8 | 177.5 | -72.7 | 163.9 | 0 | 0 | 0 | 110.7 | E46 D47 V48 T54 K63 | E46-I50 WeakPolarHBondContact O-CD1 3.41Å; E46-I50 WeakPolarHBondContact O-CG1 3.38Å; E46-I50 PolarHBondContact O-N 3.09Å; D47-I50 PolarHBondContact O-N 3.18Å; V48-I50 VanDerWaalsContact C-N 3.32Å; V48-I50 PolarHBondContact O-N 2.93Å; I50-T54 PolarHBondContact O-OG1 2.95Å; I50-K63 HydrophobicContact CG2-CD 4.32Å; I50-K63 HydrophobicContact CG2-CG 4.12Å |
| 51 | V | 85.3 | Confident | 84.4 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.3 | -48.1 | 176.4 | 176.1 | 0 | 0 | 0 | 0 | 110.4 | L34 D47 V48 E49 R53 T54 Q60 K63 I64 L67 | L34-V51 HydrophobicContact CD1-CB 4.42Å; L34-V51 HydrophobicContact CD1-CG1 4.02Å; L34-V51 HydrophobicContact CD2-CB 4.29Å; L34-V51 HydrophobicContact CD2-CG1 4.26Å; L34-V51 HydrophobicContact CD2-CG2 4.22Å; D47-V51 WeakPolarHBondContact O-CG2 3.37Å; D47-V51 PolarHBondContact O-N 2.83Å; V48-V51 PolarHBondContact O-N 3.15Å; E49-V51 VanDerWaalsContact C-N 3.29Å; E49-V51 PolarHBondContact O-N 2.95Å; V51-R53 VanDerWaalsContact C-N 3.31Å; V51-R53 PolarHBondContact O-N 3.34Å; V51-T54 VanDerWaalsContact O-CB 3.26Å; V51-T54 WeakPolarHBondContact O-CB 3.29Å; V51-T54 PolarHBondContact O-N 3Å; V51-T54 PolarHBondContact O-OG1 3.47Å; V51-Q60 HydrophobicContact CG1-CB 3.96Å; V51-Q60 HydrophobicContact CG1-CG 4.33Å; V51-K63 HydrophobicContact CG2-CB 4.32Å; V51-K63 HydrophobicContact CG2-CG 4.13Å; V51-I64 HydrophobicContact CB-CG1 4.4Å; V51-I64 HydrophobicContact CG1-CD1 3.87Å; V51-I64 HydrophobicContact CG1-CG1 3.74Å; V51-I64 HydrophobicContact CG2-CG1 3.76Å; V51-L67 HydrophobicContact CG2-CD1 3.73Å |
| 52 | Q | 84.4 | Confident | 84.5 | Confident | 98 Ų | 98 | 72.1 Ų | 72.1 | 46% | 0.458 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.3 | -29.1 | -176.5 | -72.5 | 178 | -18.5 | 0 | 0 | 113.8 | V48 E49 T54 | V48-Q52 HydrophobicContact CG1-CG 4.36Å; V48-Q52 WeakPolarHBondContact O-CG 3.31Å; V48-Q52 PolarHBondContact O-N 3.21Å; E49-Q52 PolarHBondContact O-N 3.4Å; Q52-T54 PolarHBondContact O-N 3.21Å |
| 53 | R | 83.8 | Confident | 84.6 | Confident | 186 Ų | 186 | 73.3 Ų | 73.3 | 70% | 0.702 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -14.7 | 173.6 | -74.1 | 171.9 | -167.5 | -168.6 | 8.5 | 113.6 | E49 V51 | E49-R53 WeakPolarHBondContact O-CB 3.28Å; E49-R53 VanDerWaalsContact O-CG 3.23Å; E49-R53 WeakPolarHBondContact O-CG 3.24Å; E49-R53 PolarHBondContact O-N 3.19Å; E49-R53 IonicContact OE2-CZ 2.7Å; E49-R53 IonicContact OE2-NE 3.51Å; E49-R53 IonicContact OE2-NH2 3.84Å; E49-R53 PolarHBondContact OE2-NH2 2.98Å; V51-R53 VanDerWaalsContact C-N 3.31Å; V51-R53 PolarHBondContact O-N 3.34Å |
| 54 | T | 83.3 | Confident | 84.5 | Confident | 36 Ų | 36 | 73 Ų | 73 | 22% | 0.221 | 36% | 0.358 | C | S | . | . | trans | -82.5 | 129.9 | -179.6 | -53.5 | 0 | 0 | 0 | 0 | 110.8 | I50 V51 Q52 N59 Q60 | I50-T54 PolarHBondContact O-OG1 2.95Å; V51-T54 VanDerWaalsContact O-CB 3.26Å; V51-T54 WeakPolarHBondContact O-CB 3.29Å; V51-T54 PolarHBondContact O-N 3Å; V51-T54 PolarHBondContact O-OG1 3.47Å; Q52-T54 PolarHBondContact O-N 3.21Å; T54-N59 HydrophobicContact CG2-CB 3.35Å; T54-Q60 HydrophobicContact CG2-CG 4.27Å; T54-Q60 WeakPolarHBondContact O-CG 3.14Å; T54-Q60 PolarHBondContact O-NE2 3.34Å | ||
| 55 | V | 75.3 | Confident | 84.5 | Confident | 140 Ų | 140 | 70.3 Ų | 70.3 | 85% | 0.848 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -71.4 | -38.7 | -166.8 | -176.8 | 0 | 0 | 0 | 0 | 114.2 | ||
| 56 | T | 82.7 | Confident | 84.7 | Confident | 63 Ų | 63 | 66.5 Ų | 66.5 | 39% | 0.387 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -110.3 | 138 | -172.4 | 63.6 | 0 | 0 | 0 | 0 | 111.8 | N59 Q60 | T56-N59 WeakPolarHBondContact O-CA 3.49Å; T56-N59 WeakPolarHBondContact O-CB 3.34Å; T56-N59 PolarHBondContact O-N 3.28Å; T56-N59 WeakPolarHBondContact OG1-CB 3.5Å; T56-N59 VanDerWaalsContact OG1-CG 3.22Å; T56-N59 PolarHBondContact OG1-ND2 3.39Å; T56-Q60 PolarHBondContact O-N 3.02Å |
| 57 | K | 79.3 | Confident | 84.8 | Confident | 128 Ų | 128 | 60.6 Ų | 60.6 | 56% | 0.557 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -49.9 | -45.5 | 178.3 | -66.4 | -170.2 | 175 | -163.8 | 0 | 114.8 | R28 I30 N59 Q60 V61 | R28-K57 PolarHBondContact O-NZ 3.25Å; I30-K57 HydrophobicContact CD1-CB 3.99Å; I30-K57 HydrophobicContact CD1-CG 4.26Å; K57-N59 VanDerWaalsContact C-N 3.27Å; K57-N59 PolarHBondContact O-N 2.84Å; K57-Q60 WeakPolarHBondContact O-CB 3.49Å; K57-Q60 PolarHBondContact O-N 3.37Å; K57-Q60 VanDerWaalsContact O-N 3.1Å; K57-V61 WeakPolarHBondContact O-CG2 3.21Å; K57-V61 PolarHBondContact O-N 3.33Å |
| 58 | P | 84.2 | Confident | 84.9 | Confident | 57 Ų | 57 | 59.8 Ų | 59.8 | 37% | 0.37 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.9 | -34.6 | 177.9 | -24.5 | 35.8 | 0 | 0 | 0 | 113 | V24 R62 | V24-P58 HydrophobicContact CG1-CB 3.83Å; P58-R62 VanDerWaalsContact O-CG 3.31Å; P58-R62 WeakPolarHBondContact O-CG 3.46Å; P58-R62 PolarHBondContact O-N 3.48Å |
| 59 | N | 83.3 | Confident | 85.1 | Confident | 70 Ų | 70 | 60.9 Ų | 60.9 | 37% | 0.374 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -73.5 | -34.5 | 175.6 | -70.2 | -19.5 | 0 | 0 | 0 | 111.9 | T54 T56 K57 R62 K63 | T54-N59 HydrophobicContact CG2-CB 3.35Å; T56-N59 WeakPolarHBondContact O-CA 3.49Å; T56-N59 WeakPolarHBondContact O-CB 3.34Å; T56-N59 PolarHBondContact O-N 3.28Å; T56-N59 WeakPolarHBondContact OG1-CB 3.5Å; T56-N59 VanDerWaalsContact OG1-CG 3.22Å; T56-N59 PolarHBondContact OG1-ND2 3.39Å; K57-N59 VanDerWaalsContact C-N 3.27Å; K57-N59 PolarHBondContact O-N 2.84Å; N59-R62 PolarHBondContact O-N 3.15Å; N59-R62 PolarHBondContact OD1-NH1 3.19Å; N59-K63 WeakPolarHBondContact O-CB 3.37Å; N59-K63 PolarHBondContact O-N 3.43Å |
| 60 | Q | 85.8 | Confident | 85.2 | Confident | 36 Ų | 36 | 62 Ų | 62 | 17% | 0.168 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 171.2 | -67.8 | 176.1 | -21 | 0 | 0 | 110.9 | I30 V51 T54 T56 K57 R62 K63 I64 | I30-Q60 HydrophobicContact CD1-CB 3.8Å; V51-Q60 HydrophobicContact CG1-CB 3.96Å; V51-Q60 HydrophobicContact CG1-CG 4.33Å; T54-Q60 HydrophobicContact CG2-CG 4.27Å; T54-Q60 WeakPolarHBondContact O-CG 3.14Å; T54-Q60 PolarHBondContact O-NE2 3.34Å; T56-Q60 PolarHBondContact O-N 3.02Å; K57-Q60 WeakPolarHBondContact O-CB 3.49Å; K57-Q60 PolarHBondContact O-N 3.37Å; K57-Q60 VanDerWaalsContact O-N 3.1Å; Q60-R62 PolarHBondContact O-N 3.43Å; Q60-K63 WeakPolarHBondContact O-CB 3.46Å; Q60-K63 PolarHBondContact O-N 3.14Å; Q60-K63 VanDerWaalsContact O-N 3.16Å; Q60-I64 WeakPolarHBondContact O-CG1 3.4Å; Q60-I64 PolarHBondContact O-N 3.25Å |
| 61 | V | 85.3 | Confident | 85.2 | Confident | 3 Ų | 3 | 63.2 Ų | 63.2 | 2% | 0.018 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 175.4 | 178.7 | 0 | 0 | 0 | 0 | 111.3 | V24 L27 I30 K57 K63 I64 L65 | V24-V61 HydrophobicContact CG2-CB 4.5Å; V24-V61 HydrophobicContact CG2-CG1 4.02Å; L27-V61 HydrophobicContact CB-CG1 4.11Å; L27-V61 HydrophobicContact CB-CG2 3.86Å; L27-V61 HydrophobicContact CD1-CG1 3.7Å; L27-V61 HydrophobicContact CG-CG1 4.5Å; I30-V61 HydrophobicContact CD1-CG2 3.65Å; I30-V61 HydrophobicContact CG1-CG2 3.92Å; K57-V61 WeakPolarHBondContact O-CG2 3.21Å; K57-V61 PolarHBondContact O-N 3.33Å; V61-K63 VanDerWaalsContact C-N 3.25Å; V61-K63 PolarHBondContact O-N 3.12Å; V61-I64 PolarHBondContact O-N 2.92Å; V61-L65 HydrophobicContact CG1-CD1 4.14Å; V61-L65 HydrophobicContact CG1-CG 4.39Å; V61-L65 WeakPolarHBondContact O-CG 3.48Å; V61-L65 PolarHBondContact O-N 3.44Å |
| 62 | R | 87.1 | Confident | 85.2 | Confident | 107 Ų | 107 | 64.5 Ų | 64.5 | 40% | 0.404 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -56.3 | -42 | 174.3 | -74.7 | 174 | -175.5 | 129.4 | 2.6 | 111.7 | V24 P58 N59 Q60 L65 E66 | V24-R62 HydrophobicContact CG1-CG 4.07Å; V24-R62 HydrophobicContact CG2-CG 3.58Å; P58-R62 VanDerWaalsContact O-CG 3.31Å; P58-R62 WeakPolarHBondContact O-CG 3.46Å; P58-R62 PolarHBondContact O-N 3.48Å; N59-R62 PolarHBondContact O-N 3.15Å; N59-R62 PolarHBondContact OD1-NH1 3.19Å; Q60-R62 PolarHBondContact O-N 3.43Å; R62-L65 PolarHBondContact O-N 2.96Å; R62-E66 WeakPolarHBondContact O-CG 3.48Å; R62-E66 PolarHBondContact O-N 3.19Å |
| 63 | K | 87.6 | Confident | 85.2 | Confident | 64 Ų | 64 | 63.1 Ų | 63.1 | 28% | 0.278 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.2 | -39.7 | 179.6 | -162.5 | 73.1 | -148.5 | 153.4 | 0 | 112.1 | I50 V51 N59 Q60 V61 E66 L67 | I50-K63 HydrophobicContact CG2-CD 4.32Å; I50-K63 HydrophobicContact CG2-CG 4.12Å; V51-K63 HydrophobicContact CG2-CB 4.32Å; V51-K63 HydrophobicContact CG2-CG 4.13Å; N59-K63 WeakPolarHBondContact O-CB 3.37Å; N59-K63 PolarHBondContact O-N 3.43Å; Q60-K63 WeakPolarHBondContact O-CB 3.46Å; Q60-K63 PolarHBondContact O-N 3.14Å; Q60-K63 VanDerWaalsContact O-N 3.16Å; V61-K63 VanDerWaalsContact C-N 3.25Å; V61-K63 PolarHBondContact O-N 3.12Å; K63-E66 IonicContact NZ-OE2 2.81Å; K63-E66 PolarHBondContact NZ-OE2 3.31Å; K63-E66 PolarHBondContact O-N 3.22Å; K63-L67 HydrophobicContact CG-CD1 4.3Å; K63-L67 WeakPolarHBondContact O-CB 3.21Å; K63-L67 VanDerWaalsContact O-CG 3.29Å; K63-L67 WeakPolarHBondContact O-CG 3.4Å; K63-L67 PolarHBondContact O-N 3.32Å |
| 64 | I | 87.8 | Confident | 85.2 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.6 | -48.7 | 173.7 | -69.8 | 164.6 | 0 | 0 | 0 | 110.4 | I30 L34 L37 F43 V51 Q60 V61 E66 L67 V68 F79 | I30-I64 HydrophobicContact CG2-CD1 3.3Å; L34-I64 HydrophobicContact CD2-CD1 3.92Å; L34-I64 HydrophobicContact CD2-CG1 3.92Å; L34-I64 HydrophobicContact CG-CD1 4.19Å; L37-I64 HydrophobicContact CD1-CG2 4.44Å; F43-I64 HydrophobicContact CZ-CG2 4.4Å; V51-I64 HydrophobicContact CB-CG1 4.4Å; V51-I64 HydrophobicContact CG1-CD1 3.87Å; V51-I64 HydrophobicContact CG1-CG1 3.74Å; V51-I64 HydrophobicContact CG2-CG1 3.76Å; Q60-I64 WeakPolarHBondContact O-CG1 3.4Å; Q60-I64 PolarHBondContact O-N 3.25Å; V61-I64 PolarHBondContact O-N 2.92Å; I64-E66 VanDerWaalsContact C-N 3.31Å; I64-E66 PolarHBondContact O-N 3.26Å; I64-L67 PolarHBondContact O-N 2.97Å; I64-L67 VanDerWaalsContact O-N 3.16Å; I64-V68 HydrophobicContact CG2-CG2 4Å; I64-V68 WeakPolarHBondContact O-CB 3.26Å; I64-V68 VanDerWaalsContact O-CG2 3.28Å; I64-V68 WeakPolarHBondContact O-CG2 3.04Å; I64-V68 PolarHBondContact O-N 3.44Å; I64-F79 HydrophobicContact CG2-CD2 4.22Å; I64-F79 HydrophobicContact CG2-CE2 3.72Å |
| 65 | L | 88.5 | Confident | 85.3 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.4 | -43.1 | 179.1 | -68.1 | 173.9 | 0 | 0 | 0 | 111.3 | L16 R20 L23 V24 V61 R62 L67 Q69 F79 | L16-L65 HydrophobicContact CD2-CD2 4.29Å; R20-L65 HydrophobicContact CG-CD1 4.03Å; L23-L65 HydrophobicContact CB-CD1 4.15Å; L23-L65 HydrophobicContact CD1-CD1 4.49Å; L23-L65 HydrophobicContact CD1-CD2 4.11Å; V24-L65 HydrophobicContact CG2-CD1 3.99Å; V61-L65 HydrophobicContact CG1-CD1 4.14Å; V61-L65 HydrophobicContact CG1-CG 4.39Å; V61-L65 WeakPolarHBondContact O-CG 3.48Å; V61-L65 PolarHBondContact O-N 3.44Å; R62-L65 PolarHBondContact O-N 2.96Å; L65-L67 PolarHBondContact O-N 3.46Å; L65-Q69 VanDerWaalsContact O-CB 3.28Å; L65-Q69 WeakPolarHBondContact O-CB 3.47Å; L65-Q69 WeakPolarHBondContact O-CG 3.29Å; L65-Q69 PolarHBondContact O-N 3.02Å; L65-F79 HydrophobicContact CD2-CE1 3.82Å; L65-F79 HydrophobicContact CD2-CE2 4.43Å; L65-F79 HydrophobicContact CD2-CZ 3.71Å |
| 66 | E | 88.1 | Confident | 85.8 | Confident | 68 Ų | 68 | 51 Ų | 51 | 32% | 0.318 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.2 | -46.8 | 174.1 | -76 | 167.2 | -164.5 | 0 | 0 | 112.6 | R20 R62 K63 I64 Q69 C70 | R20-E66 IonicContact NH2-OE1 2.66Å; R20-E66 PolarHBondContact NH2-OE1 3.24Å; R62-E66 WeakPolarHBondContact O-CG 3.48Å; R62-E66 PolarHBondContact O-N 3.19Å; K63-E66 IonicContact NZ-OE2 2.81Å; K63-E66 PolarHBondContact NZ-OE2 3.31Å; K63-E66 PolarHBondContact O-N 3.22Å; I64-E66 VanDerWaalsContact C-N 3.31Å; I64-E66 PolarHBondContact O-N 3.26Å; E66-Q69 PolarHBondContact O-N 3.18Å; E66-C70 WeakPolarHBondContact O-CB 3.24Å; E66-C70 PolarHBondContact O-N 3.39Å; E66-C70 PolarHBondContact O-SG 3.17Å |
| 67 | L | 87.3 | Confident | 86 | Confident | 23 Ų | 23 | 49.3 Ų | 49.3 | 12% | 0.12 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.5 | -44.2 | -178.3 | -71.5 | 171.1 | 0 | 0 | 0 | 111.5 | F43 D47 V51 K63 I64 L65 Q69 C70 K71 | F43-L67 HydrophobicContact CE1-CB 4Å; F43-L67 HydrophobicContact CE2-CB 4.45Å; F43-L67 HydrophobicContact CE2-CD1 4.4Å; F43-L67 HydrophobicContact CZ-CB 3.64Å; F43-L67 HydrophobicContact CZ-CD1 4.38Å; D47-L67 HydrophobicContact CB-CD1 4.35Å; V51-L67 HydrophobicContact CG2-CD1 3.73Å; K63-L67 HydrophobicContact CG-CD1 4.3Å; K63-L67 WeakPolarHBondContact O-CB 3.21Å; K63-L67 VanDerWaalsContact O-CG 3.29Å; K63-L67 WeakPolarHBondContact O-CG 3.4Å; K63-L67 PolarHBondContact O-N 3.32Å; I64-L67 PolarHBondContact O-N 2.97Å; I64-L67 VanDerWaalsContact O-N 3.16Å; L65-L67 PolarHBondContact O-N 3.46Å; L67-Q69 PolarHBondContact O-N 3.36Å; L67-C70 PolarHBondContact O-N 3.27Å; L67-K71 WeakPolarHBondContact O-CG 3.42Å; L67-K71 PolarHBondContact O-N 3.49Å; L67-K71 VanDerWaalsContact O-N 3.11Å |
| 68 | V | 88.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61 | -44.6 | 176.7 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | L16 L37 F43 I64 C70 K71 G72 A75 C76 F79 | L16-V68 HydrophobicContact CD1-CG1 4.33Å; L37-V68 HydrophobicContact CD1-CG2 4.01Å; L37-V68 HydrophobicContact CD2-CG2 4.46Å; F43-V68 HydrophobicContact CE1-CG2 3.71Å; F43-V68 HydrophobicContact CZ-CG2 3.68Å; I64-V68 HydrophobicContact CG2-CG2 4Å; I64-V68 WeakPolarHBondContact O-CB 3.26Å; I64-V68 VanDerWaalsContact O-CG2 3.28Å; I64-V68 WeakPolarHBondContact O-CG2 3.04Å; I64-V68 PolarHBondContact O-N 3.44Å; V68-C70 VanDerWaalsContact C-N 3.32Å; V68-C70 PolarHBondContact O-N 2.83Å; V68-K71 PolarHBondContact O-N 3.43Å; V68-K71 VanDerWaalsContact O-N 3.14Å; V68-G72 PolarHBondContact O-N 2.85Å; V68-A75 HydrophobicContact CG1-CB 4.17Å; V68-A75 WeakPolarHBondContact CG1-O 3.41Å; V68-C76 HydrophobicContact CG1-CB 4.28Å; V68-F79 HydrophobicContact CG1-CB 3.91Å; V68-F79 HydrophobicContact CG1-CG 4.4Å; V68-F79 HydrophobicContact CG2-CD2 4.09Å |
| 69 | Q | 88.1 | Confident | 86.5 | Confident | 36 Ų | 36 | 40.6 Ų | 40.6 | 17% | 0.168 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.7 | -38.5 | 176.2 | -72.2 | 177.9 | -31 | 0 | 0 | 112.4 | L13 T17 L65 E66 L67 K71 G72 | L13-Q69 HydrophobicContact CD1-CB 3.78Å; L13-Q69 HydrophobicContact CD1-CG 3.81Å; T17-Q69 PolarHBondContact OG1-NE2 3.2Å; L65-Q69 VanDerWaalsContact O-CB 3.28Å; L65-Q69 WeakPolarHBondContact O-CB 3.47Å; L65-Q69 WeakPolarHBondContact O-CG 3.29Å; L65-Q69 PolarHBondContact O-N 3.02Å; E66-Q69 PolarHBondContact O-N 3.18Å; L67-Q69 PolarHBondContact O-N 3.36Å; Q69-K71 VanDerWaalsContact C-N 3.3Å; Q69-K71 PolarHBondContact O-N 2.95Å; Q69-G72 PolarHBondContact O-N 3.04Å |
| 70 | C | 86.8 | Confident | 86.6 | Confident | 113 Ų | 113 | 37.3 Ų | 37.3 | 76% | 0.764 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -68 | -26.4 | 175.9 | -74 | 0 | 0 | 0 | 0 | 113.7 | E66 L67 V68 G72 | E66-C70 WeakPolarHBondContact O-CB 3.24Å; E66-C70 PolarHBondContact O-N 3.39Å; E66-C70 PolarHBondContact O-SG 3.17Å; L67-C70 PolarHBondContact O-N 3.27Å; V68-C70 VanDerWaalsContact C-N 3.32Å; V68-C70 PolarHBondContact O-N 2.83Å; C70-G72 VanDerWaalsContact C-N 3.34Å |
| 71 | K | 85.7 | Confident | 86.6 | Confident | 97 Ų | 97 | 35.6 Ų | 35.6 | 42% | 0.422 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -83.3 | -10.7 | -179 | -63.1 | -78.1 | -177.4 | 168 | 0 | 113 | F42 D47 L67 V68 Q69 A75 | F42-K71 WeakPolarHBondContact O-CD 3.09Å; D47-K71 IonicContact OD1-NZ 3.35Å; D47-K71 VanDerWaalsContact OD2-CE 3.23Å; D47-K71 WeakPolarHBondContact OD2-CE 3.28Å; D47-K71 IonicContact OD2-NZ 2.88Å; D47-K71 PolarHBondContact OD2-NZ 3.39Å; L67-K71 WeakPolarHBondContact O-CG 3.42Å; L67-K71 PolarHBondContact O-N 3.49Å; L67-K71 VanDerWaalsContact O-N 3.11Å; V68-K71 PolarHBondContact O-N 3.43Å; V68-K71 VanDerWaalsContact O-N 3.14Å; Q69-K71 VanDerWaalsContact C-N 3.3Å; Q69-K71 PolarHBondContact O-N 2.95Å; K71-A75 HydrophobicContact CB-CB 3.7Å |
| 72 | G | 86.3 | Confident | 86.6 | Confident | 28 Ų | 28 | 35.4 Ų | 35.4 | 29% | 0.289 | 18% | 0.181 | S | C | . | . | trans | 105.8 | -175.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | V68 Q69 C70 D74 A75 C76 | V68-G72 PolarHBondContact O-N 2.85Å; Q69-G72 PolarHBondContact O-N 3.04Å; C70-G72 VanDerWaalsContact C-N 3.34Å; G72-D74 PolarHBondContact O-N 2.94Å; G72-A75 PolarHBondContact O-N 2.65Å; G72-C76 PolarHBondContact O-N 2.78Å; G72-C76 PolarHBondContact O-SG 3.06Å | ||
| 73 | E | 84.4 | Confident | 86.4 | Confident | 69 Ų | 69 | 30.3 Ų | 30.3 | 32% | 0.322 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -62.6 | -42.9 | -171.7 | -170.4 | 69.5 | 179.7 | 0 | 0 | 112.7 | S11 C12 L13 A75 C76 E77 | S11-E73 VanDerWaalsContact C-OE1 3.3Å; S11-E73 WeakPolarHBondContact CA-OE1 3.46Å; S11-E73 WeakPolarHBondContact CB-OE1 3.37Å; S11-E73 VanDerWaalsContact OG-CD 3.26Å; S11-E73 PolarHBondContact OG-OE1 3.06Å; S11-E73 PolarHBondContact OG-OE2 2.93Å; C12-E73 PolarHBondContact N-OE1 3.19Å; L13-E73 VanDerWaalsContact CB-OE2 3.23Å; L13-E73 WeakPolarHBondContact CB-OE2 3.41Å; L13-E73 PolarHBondContact N-OE2 3.4Å; E73-A75 VanDerWaalsContact C-N 3.29Å; E73-A75 PolarHBondContact O-N 3.38Å; E73-C76 WeakPolarHBondContact O-CB 3.42Å; E73-C76 PolarHBondContact O-N 3.22Å; E73-C76 VanDerWaalsContact O-N 3.07Å; E73-E77 PolarHBondContact O-N 3.48Å |
| 74 | D | 83.8 | Confident | 86.2 | Confident | 105 Ų | 105 | 31.5 Ų | 31.5 | 56% | 0.561 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -62 | -37.2 | -179.4 | -59 | -20 | 0 | 0 | 0 | 112 | F42 G72 F78 M108 | F42-D74 HydrophobicContact CE1-CB 4.05Å; G72-D74 PolarHBondContact O-N 2.94Å; D74-F78 VanDerWaalsContact O-CB 3.28Å; D74-F78 WeakPolarHBondContact O-CB 3.41Å; D74-F78 PolarHBondContact O-N 2.92Å; D74-M108 HydrophobicContact CB-CE 4.36Å; D74-M108 WeakPolarHBondContact O-CE 3.46Å |
| 75 | A | 84.9 | Confident | 86 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.5 | -38 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | F42 V68 K71 G72 E73 F79 | F42-A75 HydrophobicContact CB-CB 4.5Å; F42-A75 HydrophobicContact CD1-CB 3.73Å; F42-A75 HydrophobicContact CE1-CB 4.3Å; F42-A75 HydrophobicContact CG-CB 4.33Å; V68-A75 HydrophobicContact CG1-CB 4.17Å; V68-A75 WeakPolarHBondContact CG1-O 3.41Å; K71-A75 HydrophobicContact CB-CB 3.7Å; G72-A75 PolarHBondContact O-N 2.65Å; E73-A75 VanDerWaalsContact C-N 3.29Å; E73-A75 PolarHBondContact O-N 3.38Å; A75-F79 WeakPolarHBondContact O-CB 3.39Å; A75-F79 PolarHBondContact O-N 3.14Å |
| 76 | C | 86.6 | Confident | 85.7 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66 | -44.3 | 176 | -64.5 | 0 | 0 | 0 | 0 | 111.4 | C12 L16 V68 G72 E73 F79 V80 | C12-C76 HydrophobicContact CB-CB 3.86Å; L16-C76 HydrophobicContact CD1-CB 3.73Å; V68-C76 HydrophobicContact CG1-CB 4.28Å; G72-C76 PolarHBondContact O-N 2.78Å; G72-C76 PolarHBondContact O-SG 3.06Å; E73-C76 WeakPolarHBondContact O-CB 3.42Å; E73-C76 PolarHBondContact O-N 3.22Å; E73-C76 VanDerWaalsContact O-N 3.07Å; C76-F79 WeakPolarHBondContact O-CB 3.33Å; C76-F79 PolarHBondContact O-N 3.13Å; C76-V80 WeakPolarHBondContact O-CG2 3.33Å; C76-V80 PolarHBondContact O-N 3.02Å; C76-V80 VanDerWaalsContact O-N 3.13Å |
| 77 | E | 85.8 | Confident | 85 | Confident | 29 Ų | 29 | 34.7 Ų | 34.7 | 14% | 0.136 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.3 | -41.6 | 176.6 | -177.6 | -179.9 | -178.9 | 0 | 0 | 111 | C12 E73 F79 V80 F81 Y102 S105 M108 | C12-E77 HydrophobicContact CB-CB 4.27Å; E73-E77 PolarHBondContact O-N 3.48Å; E77-F79 VanDerWaalsContact C-N 3.34Å; E77-F79 PolarHBondContact O-N 3.37Å; E77-V80 PolarHBondContact O-N 3.47Å; E77-F81 VanDerWaalsContact O-CB 3.31Å; E77-F81 WeakPolarHBondContact O-CB 3.49Å; E77-F81 PolarHBondContact O-N 3.22Å; E77-Y102 PolarHBondContact O-OH 3.45Å; E77-S105 WeakPolarHBondContact OE1-CB 3.21Å; E77-S105 PolarHBondContact OE1-N 3.33Å; E77-S105 PolarHBondContact OE1-OG 2.93Å; E77-M108 HydrophobicContact CB-CE 3.89Å; E77-M108 HydrophobicContact CG-CE 3.9Å; E77-M108 HydrophobicContact CG-CG 3.91Å; E77-M108 HydrophobicContact CG-SD 4.32Å |
| 78 | F | 86.3 | Confident | 84.2 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.9 | -36.3 | 175.3 | -171.9 | -112.5 | 0 | 0 | 0 | 112.4 | N36 L37 N40 F42 D74 F81 I82 M108 M111 V113 | N36-F78 HydrophobicContact CB-CE1 4.48Å; L37-F78 HydrophobicContact CD2-CD1 3.99Å; N40-F78 HydrophobicContact CB-CE1 3.88Å; N40-F78 HydrophobicContact CB-CZ 3.95Å; N40-F78 VanDerWaalsContact ND2-CZ 3.26Å; N40-F78 WeakPolarHBondContact ND2-CZ 3.43Å; F42-F78 HydrophobicContact CD2-CB 4.31Å; F42-F78 AromaticContact CD2-CD1 3.46Å; F42-F78 HydrophobicContact CD2-CD1 3.46Å; F42-F78 VanDerWaalsContact CD2-CD1 3.46Å; F42-F78 HydrophobicContact CD2-CE1 4Å; F42-F78 HydrophobicContact CD2-CG 4.01Å; F42-F78 HydrophobicContact CE2-CB 3.77Å; F42-F78 AromaticContact CE2-CD1 3.48Å; F42-F78 HydrophobicContact CE2-CD1 3.48Å; F42-F78 VanDerWaalsContact CE2-CD1 3.48Å; F42-F78 HydrophobicContact CE2-CD2 4.19Å; F42-F78 HydrophobicContact CE2-CE1 4.11Å; F42-F78 AromaticContact CE2-CG 3.54Å; F42-F78 HydrophobicContact CE2-CG 3.54Å; F42-F78 HydrophobicContact CZ-CB 4.04Å; F42-F78 HydrophobicContact CZ-CG 4.27Å; D74-F78 VanDerWaalsContact O-CB 3.28Å; D74-F78 WeakPolarHBondContact O-CB 3.41Å; D74-F78 PolarHBondContact O-N 2.92Å; F78-F81 AromaticContact CD2-CD1 3.96Å; F78-F81 HydrophobicContact CD2-CD1 3.96Å; F78-F81 AromaticContact CE2-CD1 3.94Å; F78-F81 HydrophobicContact CE2-CD1 3.94Å; F78-F81 HydrophobicContact CE2-CE1 4.48Å; F78-F81 WeakPolarHBondContact O-CB 3.3Å; F78-F81 PolarHBondContact O-N 3.28Å; F78-I82 HydrophobicContact CD1-CD1 3.8Å; F78-I82 HydrophobicContact CD1-CG1 4.25Å; F78-I82 HydrophobicContact CE1-CD1 3.56Å; F78-I82 HydrophobicContact CE1-CG1 3.92Å; F78-I82 HydrophobicContact CZ-CD1 4.18Å; F78-I82 HydrophobicContact CZ-CG1 4.02Å; F78-I82 VanDerWaalsContact O-CG1 3.31Å; F78-I82 WeakPolarHBondContact O-CG1 3.46Å; F78-I82 PolarHBondContact O-N 3.08Å; F78-M108 HydrophobicContact CB-CE 4.32Å; F78-M108 HydrophobicContact CB-SD 3.97Å; F78-M108 HydrophobicContact CD2-SD 4Å; F78-M108 HydrophobicContact CG-SD 4.49Å; F78-M111 HydrophobicContact CD2-CB 4.25Å; F78-M111 HydrophobicContact CD2-SD 3.49Å; F78-M111 WeakPolarHBondContact CD2-SD 3.35Å; F78-M111 HydrophobicContact CE2-CB 3.73Å; F78-M111 HydrophobicContact CE2-CG 4.41Å; F78-M111 HydrophobicContact CE2-SD 3.8Å; F78-M111 HydrophobicContact CG-SD 4.25Å; F78-V113 HydrophobicContact CE2-CG2 3.88Å; F78-V113 HydrophobicContact CZ-CG2 4.01Å |
| 79 | F | 87.8 | Confident | 83.4 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 0% | 0.004 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.9 | -47.9 | 173 | 175.5 | -89.2 | 0 | 0 | 0 | 112.1 | L16 L27 L33 L37 I64 L65 V68 A75 C76 E77 F81 I82 I83 | L16-F79 HydrophobicContact CD1-CD1 4.08Å; L16-F79 HydrophobicContact CD2-CD1 3.84Å; L16-F79 HydrophobicContact CD2-CE1 3.87Å; L27-F79 HydrophobicContact CD1-CZ 3.77Å; L33-F79 HydrophobicContact CD1-CE2 3.75Å; L33-F79 HydrophobicContact CD1-CZ 4.21Å; L33-F79 HydrophobicContact CD2-CE2 4.39Å; L33-F79 HydrophobicContact CG-CE2 4.5Å; L37-F79 HydrophobicContact CD1-CD2 4.45Å; I64-F79 HydrophobicContact CG2-CD2 4.22Å; I64-F79 HydrophobicContact CG2-CE2 3.72Å; L65-F79 HydrophobicContact CD2-CE1 3.82Å; L65-F79 HydrophobicContact CD2-CE2 4.43Å; L65-F79 HydrophobicContact CD2-CZ 3.71Å; V68-F79 HydrophobicContact CG1-CB 3.91Å; V68-F79 HydrophobicContact CG1-CG 4.4Å; V68-F79 HydrophobicContact CG2-CD2 4.09Å; A75-F79 WeakPolarHBondContact O-CB 3.39Å; A75-F79 PolarHBondContact O-N 3.14Å; C76-F79 WeakPolarHBondContact O-CB 3.33Å; C76-F79 PolarHBondContact O-N 3.13Å; E77-F79 VanDerWaalsContact C-N 3.34Å; E77-F79 PolarHBondContact O-N 3.37Å; F79-F81 VanDerWaalsContact C-N 3.28Å; F79-F81 PolarHBondContact O-N 3Å; F79-I82 PolarHBondContact O-N 2.66Å; F79-I83 HydrophobicContact CD1-CD1 3.9Å; F79-I83 HydrophobicContact CE1-CD1 3.41Å; F79-I83 VanDerWaalsContact CE1-CD1 3.41Å; F79-I83 HydrophobicContact CZ-CD1 3.89Å; F79-I83 WeakPolarHBondContact O-CG1 3.38Å; F79-I83 PolarHBondContact O-N 3.26Å |
| 80 | V | 86.1 | Confident | 83 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.6 | -35.3 | 175.6 | 179.7 | 0 | 0 | 0 | 0 | 110.7 | L16 C76 E77 I83 Y84 W96 L97 Y102 | L16-V80 HydrophobicContact CD2-CG2 3.9Å; L16-V80 HydrophobicContact CG-CG2 4.4Å; C76-V80 WeakPolarHBondContact O-CG2 3.33Å; C76-V80 PolarHBondContact O-N 3.02Å; C76-V80 VanDerWaalsContact O-N 3.13Å; E77-V80 PolarHBondContact O-N 3.47Å; V80-I83 PolarHBondContact O-N 3.29Å; V80-Y84 WeakPolarHBondContact O-CB 3.28Å; V80-Y84 PolarHBondContact O-N 3.18Å; V80-W96 HydrophobicContact CG2-CH2 4.35Å; V80-L97 HydrophobicContact CG1-CD2 3.8Å; V80-Y102 HydrophobicContact CB-CE2 4.17Å; V80-Y102 HydrophobicContact CG1-CD1 4.16Å; V80-Y102 HydrophobicContact CG1-CD2 3.7Å; V80-Y102 HydrophobicContact CG1-CE1 4.07Å; V80-Y102 HydrophobicContact CG1-CE2 3.61Å; V80-Y102 HydrophobicContact CG1-CG 3.98Å |
| 81 | F | 85.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.1 | -39.4 | 175.8 | -176.7 | -112.2 | 0 | 0 | 0 | 113.1 | E77 F78 F79 I83 Y84 K85 P104 M108 V113 | E77-F81 VanDerWaalsContact O-CB 3.31Å; E77-F81 WeakPolarHBondContact O-CB 3.49Å; E77-F81 PolarHBondContact O-N 3.22Å; F78-F81 AromaticContact CD2-CD1 3.96Å; F78-F81 HydrophobicContact CD2-CD1 3.96Å; F78-F81 AromaticContact CE2-CD1 3.94Å; F78-F81 HydrophobicContact CE2-CD1 3.94Å; F78-F81 HydrophobicContact CE2-CE1 4.48Å; F78-F81 WeakPolarHBondContact O-CB 3.3Å; F78-F81 PolarHBondContact O-N 3.28Å; F79-F81 VanDerWaalsContact C-N 3.28Å; F79-F81 PolarHBondContact O-N 3Å; F81-I83 VanDerWaalsContact C-N 3.33Å; F81-I83 PolarHBondContact O-N 2.83Å; F81-Y84 HydrophobicContact CD2-CD1 4.32Å; F81-Y84 PolarHBondContact O-N 3.34Å; F81-K85 HydrophobicContact CD1-CG 4.19Å; F81-K85 HydrophobicContact CD2-CG 4.16Å; F81-K85 HydrophobicContact CE1-CG 3.82Å; F81-K85 HydrophobicContact CE2-CD 4.17Å; F81-K85 HydrophobicContact CE2-CG 3.8Å; F81-K85 HydrophobicContact CG-CG 4.37Å; F81-K85 HydrophobicContact CZ-CD 4.01Å; F81-K85 HydrophobicContact CZ-CG 3.63Å; F81-K85 WeakPolarHBondContact O-CB 3.46Å; F81-K85 WeakPolarHBondContact O-CG 3.32Å; F81-K85 PolarHBondContact O-N 2.84Å; F81-P104 HydrophobicContact CD2-CB 3.77Å; F81-P104 HydrophobicContact CE2-CB 3.68Å; F81-P104 HydrophobicContact CE2-CG 4.42Å; F81-M108 HydrophobicContact CD2-CB 4.2Å; F81-M108 WeakPolarHBondContact CE1-O 3.43Å; F81-M108 HydrophobicContact CE2-CB 4.33Å; F81-M108 HydrophobicContact CG-CB 4.29Å; F81-M108 WeakPolarHBondContact CZ-O 3.36Å; F81-V113 HydrophobicContact CD1-CG2 3.72Å; F81-V113 HydrophobicContact CE1-CG2 3.63Å |
| 82 | I | 84.2 | Confident | 81.8 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61 | -45.1 | 173.7 | -64.6 | 159.2 | 0 | 0 | 0 | 110.1 | L33 N36 L37 F78 F79 Y84 K85 I86 Y90 V113 | L33-I82 HydrophobicContact CD2-CB 4.18Å; L33-I82 HydrophobicContact CD2-CG2 3.67Å; N36-I82 HydrophobicContact CB-CD1 3.61Å; N36-I82 HydrophobicContact CB-CG1 3.99Å; L37-I82 HydrophobicContact CD2-CD1 4.34Å; L37-I82 HydrophobicContact CG-CD1 4.12Å; F78-I82 HydrophobicContact CD1-CD1 3.8Å; F78-I82 HydrophobicContact CD1-CG1 4.25Å; F78-I82 HydrophobicContact CE1-CD1 3.56Å; F78-I82 HydrophobicContact CE1-CG1 3.92Å; F78-I82 HydrophobicContact CZ-CD1 4.18Å; F78-I82 HydrophobicContact CZ-CG1 4.02Å; F78-I82 VanDerWaalsContact O-CG1 3.31Å; F78-I82 WeakPolarHBondContact O-CG1 3.46Å; F78-I82 PolarHBondContact O-N 3.08Å; F79-I82 PolarHBondContact O-N 2.66Å; I82-Y84 VanDerWaalsContact C-N 3.3Å; I82-Y84 PolarHBondContact O-N 3.49Å; I82-K85 PolarHBondContact O-N 3.1Å; I82-I86 HydrophobicContact CG2-CD1 3.74Å; I82-I86 HydrophobicContact CG2-CG1 4.33Å; I82-I86 PolarHBondContact O-N 3.15Å; I82-Y90 HydrophobicContact CG2-CE2 4.43Å; I82-V113 HydrophobicContact CG1-CG1 4.37Å; I82-V113 HydrophobicContact CG1-CG2 4.28Å; I82-V113 HydrophobicContact CG2-CG1 4.25Å |
| 83 | I | 84.3 | Confident | 81.5 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.9 | -39.2 | 177.6 | -63.1 | 170.9 | 0 | 0 | 0 | 110.8 | L23 L27 L33 F79 V80 F81 Y90 L93 Q94 L97 | L23-I83 HydrophobicContact CD2-CD1 4.49Å; L27-I83 HydrophobicContact CD2-CD1 4.26Å; L33-I83 HydrophobicContact CD2-CG1 4.25Å; F79-I83 HydrophobicContact CD1-CD1 3.9Å; F79-I83 HydrophobicContact CE1-CD1 3.41Å; F79-I83 VanDerWaalsContact CE1-CD1 3.41Å; F79-I83 HydrophobicContact CZ-CD1 3.89Å; F79-I83 WeakPolarHBondContact O-CG1 3.38Å; F79-I83 PolarHBondContact O-N 3.26Å; V80-I83 PolarHBondContact O-N 3.29Å; F81-I83 VanDerWaalsContact C-N 3.33Å; F81-I83 PolarHBondContact O-N 2.83Å; I83-Y90 HydrophobicContact CB-CD2 4.33Å; I83-Y90 HydrophobicContact CB-CG 4.45Å; I83-Y90 HydrophobicContact CG1-CD2 4.27Å; I83-Y90 HydrophobicContact CG1-CG 4.3Å; I83-Y90 HydrophobicContact CG2-CD2 4.41Å; I83-Y90 HydrophobicContact CG2-CG 4.12Å; I83-L93 HydrophobicContact CD1-CD1 4.2Å; I83-L93 HydrophobicContact CG2-CB 3.95Å; I83-L93 HydrophobicContact CG2-CD1 3.9Å; I83-Q94 PolarHBondContact O-NE2 3.2Å; I83-L97 HydrophobicContact CG2-CD1 4.12Å |
| 84 | Y | 83.9 | Confident | 81.3 | Confident | 89 Ų | 89 | 30.1 Ų | 30.1 | 35% | 0.349 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -68.3 | -38.3 | 176.1 | 175.3 | -101 | 0 | 0 | 0 | 113 | V80 F81 I82 C87 L97 Y102 P104 | V80-Y84 WeakPolarHBondContact O-CB 3.28Å; V80-Y84 PolarHBondContact O-N 3.18Å; F81-Y84 HydrophobicContact CD2-CD1 4.32Å; F81-Y84 PolarHBondContact O-N 3.34Å; I82-Y84 VanDerWaalsContact C-N 3.3Å; I82-Y84 PolarHBondContact O-N 3.49Å; Y84-C87 PolarHBondContact O-SG 3.31Å; Y84-L97 HydrophobicContact CD2-CD1 4.32Å; Y84-Y102 HydrophobicContact CD1-CE1 4.38Å; Y84-Y102 AromaticContact CD2-CD1 3.99Å; Y84-Y102 HydrophobicContact CD2-CD1 3.99Å; Y84-Y102 HydrophobicContact CD2-CE1 4.43Å; Y84-Y102 HydrophobicContact CG-CD1 4.01Å; Y84-Y102 HydrophobicContact CG-CE1 4Å; Y84-P104 HydrophobicContact CE1-CG 4.01Å |
| 85 | K | 82.7 | Confident | 81.1 | Confident | 100 Ų | 100 | 29.2 Ų | 29.2 | 44% | 0.435 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -79.5 | -38.7 | -178.1 | -77.4 | -68.6 | -171.7 | 178 | 0 | 113.2 | F81 I82 C87 V113 | F81-K85 HydrophobicContact CD1-CG 4.19Å; F81-K85 HydrophobicContact CD2-CG 4.16Å; F81-K85 HydrophobicContact CE1-CG 3.82Å; F81-K85 HydrophobicContact CE2-CD 4.17Å; F81-K85 HydrophobicContact CE2-CG 3.8Å; F81-K85 HydrophobicContact CG-CG 4.37Å; F81-K85 HydrophobicContact CZ-CD 4.01Å; F81-K85 HydrophobicContact CZ-CG 3.63Å; F81-K85 WeakPolarHBondContact O-CB 3.46Å; F81-K85 WeakPolarHBondContact O-CG 3.32Å; F81-K85 PolarHBondContact O-N 2.84Å; I82-K85 PolarHBondContact O-N 3.1Å; K85-C87 PolarHBondContact O-N 3.16Å; K85-V113 HydrophobicContact CB-CB 4.37Å; K85-V113 HydrophobicContact CB-CG1 4.17Å; K85-V113 HydrophobicContact CG-CG2 4.47Å |
| 86 | I | 82.3 | Confident | 81.1 | Confident | 5 Ų | 5 | 29.5 Ų | 29.5 | 3% | 0.026 | 15% | 0.153 | C | C | . | . | trans | -97.9 | 67.4 | -176.5 | -48 | 178.4 | 0 | 0 | 0 | 109.7 | C32 I82 D88 A89 Y90 V113 N115 | C32-I86 WeakPolarHBondContact SG-CD1 3.22Å; I82-I86 HydrophobicContact CG2-CD1 3.74Å; I82-I86 HydrophobicContact CG2-CG1 4.33Å; I82-I86 PolarHBondContact O-N 3.15Å; I86-D88 VanDerWaalsContact C-N 3.31Å; I86-D88 PolarHBondContact O-N 3.1Å; I86-A89 HydrophobicContact CB-CB 4.5Å; I86-A89 HydrophobicContact CG2-CB 3.58Å; I86-A89 PolarHBondContact O-N 2.9Å; I86-Y90 HydrophobicContact CB-CD2 4.21Å; I86-Y90 HydrophobicContact CB-CE2 4.13Å; I86-Y90 HydrophobicContact CG2-CE2 4.5Å; I86-Y90 WeakPolarHBondContact O-CD2 3.18Å; I86-Y90 PolarHBondContact O-N 3.46Å; I86-V113 HydrophobicContact CD1-CG1 3.67Å; I86-V113 HydrophobicContact CG1-CG1 3.72Å; I86-N115 HydrophobicContact CD1-CB 4.48Å; I86-N115 HydrophobicContact CG2-CB 4.18Å | ||
| 87 | C | 73.4 | Confident | 80.8 | Confident | 31 Ų | 31 | 29.9 Ų | 29.9 | 21% | 0.209 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -35.9 | -171.2 | -63.9 | 0 | 0 | 0 | 0 | 114.2 | Y84 K85 Y90 I91 | Y84-C87 PolarHBondContact O-SG 3.31Å; K85-C87 PolarHBondContact O-N 3.16Å; C87-Y90 CarbonylContact O-C 3.59Å; C87-Y90 PolarHBondContact O-N 3.31Å; C87-I91 VanDerWaalsContact O-CA 3.32Å; C87-I91 WeakPolarHBondContact O-CA 3.34Å; C87-I91 PolarHBondContact O-N 2.83Å |
| 88 | D | 71.2 | Confident | 80.6 | Confident | 20 Ų | 20 | 36.4 Ų | 36.4 | 11% | 0.107 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -34.6 | -177.3 | -82.1 | -41.3 | 0 | 0 | 0 | 113.3 | I86 Y90 S120 E124 R127 R214 | I86-D88 VanDerWaalsContact C-N 3.31Å; I86-D88 PolarHBondContact O-N 3.1Å; D88-Y90 VanDerWaalsContact C-N 3.27Å; D88-Y90 PolarHBondContact O-N 3.05Å; D88-S120 WeakPolarHBondContact CB-OG 3.41Å; D88-E124 HydrophobicContact CB-CG 4.24Å; D88-E124 WeakPolarHBondContact OD2-CG 3.31Å; D88-R127 IonicContact OD1-CZ 2.74Å; D88-R127 IonicContact OD1-NE 3.61Å; D88-R127 PolarHBondContact OD1-NE 2.68Å; D88-R127 IonicContact OD1-NH2 3.26Å; D88-R127 PolarHBondContact OD1-NH2 3.38Å; D88-R127 IonicContact OD2-NE 2.92Å; D88-R214 VanDerWaalsContact CG-NH1 3.28Å; D88-R214 IonicContact OD1-CZ 2.79Å; D88-R214 IonicContact OD1-NH1 2.73Å; D88-R214 PolarHBondContact OD1-NH1 3.48Å; D88-R214 IonicContact OD1-NH2 3.57Å; D88-R214 PolarHBondContact OD1-NH2 3.26Å; D88-R214 IonicContact OD2-CZ 3.98Å; D88-R214 IonicContact OD2-NH1 2.62Å; D88-R214 IonicContact OD2-NH2 2.76Å; D88-R214 PolarHBondContact OD2-NH2 2.98Å |
| 89 | A | 71.8 | Confident | 80.4 | Confident | 23 Ų | 23 | 43.7 Ų | 43.7 | 19% | 0.19 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -25.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I86 S120 | I86-A89 HydrophobicContact CB-CB 4.5Å; I86-A89 HydrophobicContact CG2-CB 3.58Å; I86-A89 PolarHBondContact O-N 2.9Å; A89-S120 PolarHBondContact N-OG 3.43Å |
| 90 | Y | 79.4 | Confident | 80.1 | Confident | 7 Ų | 7 | 45.4 Ų | 45.4 | 3% | 0.027 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.9 | 39.5 | -173.8 | -51.2 | -68.3 | 0 | 0 | 0 | 113 | L27 S29 L33 I82 I83 I86 C87 D88 D92 L93 | L27-Y90 HydrophobicContact CD2-CD1 3.44Å; L27-Y90 VanDerWaalsContact CD2-CD1 3.44Å; L27-Y90 HydrophobicContact CD2-CE1 3.6Å; L27-Y90 HydrophobicContact CD2-CG 4.49Å; S29-Y90 WeakPolarHBondContact O-CE1 3.14Å; S29-Y90 PolarHBondContact O-OH 2.93Å; L33-Y90 HydrophobicContact CD1-CE1 4.29Å; L33-Y90 HydrophobicContact CD2-CE1 4.29Å; L33-Y90 HydrophobicContact CD2-CE2 4.06Å; L33-Y90 WeakPolarHBondContact CD2-OH 3.49Å; L33-Y90 HydrophobicContact CG-CE1 4.31Å; L33-Y90 WeakPolarHBondContact CG-OH 3.46Å; I82-Y90 HydrophobicContact CG2-CE2 4.43Å; I83-Y90 HydrophobicContact CB-CD2 4.33Å; I83-Y90 HydrophobicContact CB-CG 4.45Å; I83-Y90 HydrophobicContact CG1-CD2 4.27Å; I83-Y90 HydrophobicContact CG1-CG 4.3Å; I83-Y90 HydrophobicContact CG2-CD2 4.41Å; I83-Y90 HydrophobicContact CG2-CG 4.12Å; I86-Y90 HydrophobicContact CB-CD2 4.21Å; I86-Y90 HydrophobicContact CB-CE2 4.13Å; I86-Y90 HydrophobicContact CG2-CE2 4.5Å; I86-Y90 WeakPolarHBondContact O-CD2 3.18Å; I86-Y90 PolarHBondContact O-N 3.46Å; C87-Y90 CarbonylContact O-C 3.59Å; C87-Y90 PolarHBondContact O-N 3.31Å; D88-Y90 VanDerWaalsContact C-N 3.27Å; D88-Y90 PolarHBondContact O-N 3.05Å; Y90-D92 VanDerWaalsContact C-N 3.25Å; Y90-D92 PolarHBondContact O-N 3.17Å; Y90-L93 PolarHBondContact O-N 3.45Å |
| 91 | I | 71.9 | Confident | 79.8 | Confident | 78 Ų | 78 | 50.9 Ų | 50.9 | 40% | 0.4 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -59.2 | -36.5 | -175.4 | -161.3 | 164.9 | 0 | 0 | 0 | 112.8 | C87 L93 Q94 | C87-I91 VanDerWaalsContact O-CA 3.32Å; C87-I91 WeakPolarHBondContact O-CA 3.34Å; C87-I91 PolarHBondContact O-N 2.83Å; I91-L93 PolarHBondContact O-N 3.45Å; I91-Q94 WeakPolarHBondContact O-CB 3.43Å; I91-Q94 WeakPolarHBondContact O-CG 3.46Å; I91-Q94 PolarHBondContact O-N 3.33Å; I91-Q94 VanDerWaalsContact O-N 3.12Å |
| 92 | D | 74.3 | Confident | 79.5 | Confident | 101 Ų | 101 | 52.2 Ų | 52.2 | 54% | 0.54 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -65.1 | -19.3 | 179.5 | -64.2 | -30.1 | 0 | 0 | 0 | 113 | Y90 | Y90-D92 VanDerWaalsContact C-N 3.25Å; Y90-D92 PolarHBondContact O-N 3.17Å |
| 93 | L | 80.4 | Confident | 79.2 | Confident | 3 Ų | 3 | 59.6 Ų | 59.6 | 2% | 0.016 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -96.2 | -4.5 | 179 | -71.3 | 174.9 | 0 | 0 | 0 | 113.5 | L23 T26 L27 I83 Y90 I91 W96 L97 | L23-L93 HydrophobicContact CD2-CD1 3.85Å; L23-L93 HydrophobicContact CD2-CD2 3.86Å; T26-L93 VanDerWaalsContact OG1-CD2 3.26Å; T26-L93 WeakPolarHBondContact OG1-CD2 3.34Å; L27-L93 HydrophobicContact CD2-CD1 3.4Å; L27-L93 VanDerWaalsContact CD2-CD1 3.4Å; L27-L93 HydrophobicContact CG-CD1 3.85Å; I83-L93 HydrophobicContact CD1-CD1 4.2Å; I83-L93 HydrophobicContact CG2-CB 3.95Å; I83-L93 HydrophobicContact CG2-CD1 3.9Å; Y90-L93 PolarHBondContact O-N 3.45Å; I91-L93 PolarHBondContact O-N 3.45Å; L93-W96 HydrophobicContact CB-CE3 4.34Å; L93-W96 HydrophobicContact CD2-CE3 4.12Å; L93-W96 WeakPolarHBondContact O-CB 3.44Å; L93-W96 PolarHBondContact O-N 3.47Å; L93-L97 WeakPolarHBondContact O-CG 2.87Å; L93-L97 PolarHBondContact O-N 2.96Å |
| 94 | Q | 79.7 | Confident | 79 | Confident | 38 Ų | 38 | 60.6 Ų | 60.6 | 18% | 0.178 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.6 | -38.8 | 177.8 | -60.9 | -62.6 | -46 | 0 | 0 | 113.7 | I83 I91 W96 L97 K98 | I83-Q94 PolarHBondContact O-NE2 3.2Å; I91-Q94 WeakPolarHBondContact O-CB 3.43Å; I91-Q94 WeakPolarHBondContact O-CG 3.46Å; I91-Q94 PolarHBondContact O-N 3.33Å; I91-Q94 VanDerWaalsContact O-N 3.12Å; Q94-W96 VanDerWaalsContact C-N 3.3Å; Q94-W96 PolarHBondContact O-N 2.96Å; Q94-L97 PolarHBondContact O-N 3.26Å; Q94-K98 WeakPolarHBondContact O-CG 3.26Å; Q94-K98 PolarHBondContact O-N 3.46Å; Q94-K98 VanDerWaalsContact O-N 3.14Å |
| 95 | P | 80.7 | Confident | 78.8 | Confident | 86 Ų | 86 | 56.7 Ų | 56.7 | 56% | 0.558 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -60.7 | -40.7 | 172.8 | -23.1 | 34.8 | 0 | 0 | 0 | 112.1 | K98 E99 | P95-K98 PolarHBondContact O-N 3.48Å; P95-E99 PolarHBondContact O-N 2.88Å |
| 96 | W | 83.7 | Confident | 78.4 | Confident | 7 Ų | 7 | 61.9 Ų | 61.9 | 3% | 0.027 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.5 | -45.6 | 176.8 | 170 | 66.1 | 0 | 0 | 0 | 111.7 | L16 H19 L22 L23 V80 L93 Q94 K98 E99 I100 | L16-W96 HydrophobicContact CD2-CH2 4.46Å; H19-W96 HydrophobicContact CB-CZ2 4.14Å; H19-W96 AromaticContact CD2-NE1 3.38Å; H19-W96 PolarHBondContact CD2-NE1 3.15Å; H19-W96 AromaticContact CE1-NE1 3.73Å; H19-W96 AromaticContact CG-NE1 3.23Å; H19-W96 AromaticContact ND1-CD1 3.92Å; H19-W96 AromaticContact ND1-NE1 3.47Å; H19-W96 PolarHBondContact ND1-NE1 3.23Å; H19-W96 AromaticContact NE2-NE1 3.69Å; L22-W96 HydrophobicContact CD2-CB 4.01Å; L22-W96 HydrophobicContact CD2-CD2 4.49Å; L22-W96 HydrophobicContact CD2-CG 3.77Å; L23-W96 HydrophobicContact CD1-CH2 4.37Å; L23-W96 HydrophobicContact CD2-CE3 4.33Å; L23-W96 HydrophobicContact CD2-CH2 4.04Å; L23-W96 HydrophobicContact CD2-CZ3 3.91Å; V80-W96 HydrophobicContact CG2-CH2 4.35Å; L93-W96 HydrophobicContact CB-CE3 4.34Å; L93-W96 HydrophobicContact CD2-CE3 4.12Å; L93-W96 WeakPolarHBondContact O-CB 3.44Å; L93-W96 PolarHBondContact O-N 3.47Å; Q94-W96 VanDerWaalsContact C-N 3.3Å; Q94-W96 PolarHBondContact O-N 2.96Å; W96-K98 PolarHBondContact O-N 3.39Å; W96-E99 WeakPolarHBondContact O-CB 3.47Å; W96-E99 PolarHBondContact O-N 3.01Å; W96-E99 VanDerWaalsContact O-N 3.11Å; W96-I100 HydrophobicContact CD2-CD1 4.45Å; W96-I100 HydrophobicContact CH2-CD1 4.21Å; W96-I100 HydrophobicContact CZ2-CD1 3.96Å; W96-I100 WeakPolarHBondContact O-CG1 3.23Å; W96-I100 PolarHBondContact O-N 2.91Å |
| 97 | L | 82.3 | Confident | 77.9 | Confident | 8 Ų | 8 | 67.4 Ų | 67.4 | 4% | 0.042 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.8 | -35.8 | 175.1 | -73.8 | 172.9 | 0 | 0 | 0 | 113 | V80 I83 Y84 L93 Q94 I100 N101 Y102 | V80-L97 HydrophobicContact CG1-CD2 3.8Å; I83-L97 HydrophobicContact CG2-CD1 4.12Å; Y84-L97 HydrophobicContact CD2-CD1 4.32Å; L93-L97 WeakPolarHBondContact O-CG 2.87Å; L93-L97 PolarHBondContact O-N 2.96Å; Q94-L97 PolarHBondContact O-N 3.26Å; L97-I100 HydrophobicContact CD2-CD1 4.22Å; L97-I100 WeakPolarHBondContact O-CG1 3.09Å; L97-N101 PolarHBondContact O-N 3.17Å; L97-Y102 HydrophobicContact CD2-CD1 4.36Å; L97-Y102 HydrophobicContact CD2-CG 4.38Å; L97-Y102 PolarHBondContact O-N 3.49Å; L97-Y102 VanDerWaalsContact O-N 3.15Å |
| 98 | K | 80.8 | Confident | 78.1 | Confident | 167 Ų | 167 | 66.2 Ų | 66.2 | 73% | 0.726 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -72.1 | -40.1 | 175 | -71 | 177.8 | -177.9 | 178.9 | 0 | 112.2 | Q94 P95 W96 I100 N101 | Q94-K98 WeakPolarHBondContact O-CG 3.26Å; Q94-K98 PolarHBondContact O-N 3.46Å; Q94-K98 VanDerWaalsContact O-N 3.14Å; P95-K98 PolarHBondContact O-N 3.48Å; W96-K98 PolarHBondContact O-N 3.39Å; K98-I100 VanDerWaalsContact C-N 3.33Å; K98-N101 PolarHBondContact O-N 3.44Å; K98-N101 VanDerWaalsContact O-N 3.1Å |
| 99 | E | 82 | Confident | 78.4 | Confident | 153 Ų | 153 | 70.7 Ų | 70.7 | 72% | 0.715 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -61.1 | -42.2 | 177.2 | -173.8 | -179 | 178.3 | 0 | 0 | 111.6 | P95 W96 N101 | P95-E99 PolarHBondContact O-N 2.88Å; W96-E99 WeakPolarHBondContact O-CB 3.47Å; W96-E99 PolarHBondContact O-N 3.01Å; W96-E99 VanDerWaalsContact O-N 3.11Å; E99-N101 PolarHBondContact O-N 3.32Å |
| 100 | I | 81.3 | Confident | 78.6 | Confident | 37 Ų | 37 | 77.9 Ų | 77.9 | 19% | 0.19 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -1.9 | 176.5 | 69.5 | 175.5 | 0 | 0 | 0 | 113.2 | L15 W96 L97 K98 Y102 | L15-I100 HydrophobicContact CD2-CG2 4.2Å; W96-I100 HydrophobicContact CD2-CD1 4.45Å; W96-I100 HydrophobicContact CH2-CD1 4.21Å; W96-I100 HydrophobicContact CZ2-CD1 3.96Å; W96-I100 WeakPolarHBondContact O-CG1 3.23Å; W96-I100 PolarHBondContact O-N 2.91Å; L97-I100 HydrophobicContact CD2-CD1 4.22Å; L97-I100 WeakPolarHBondContact O-CG1 3.09Å; K98-I100 VanDerWaalsContact C-N 3.33Å; I100-Y102 PolarHBondContact O-N 2.84Å |
| 101 | N | 79.1 | Confident | 78.6 | Confident | 116 Ų | 116 | 80.4 Ų | 80.4 | 62% | 0.62 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.9 | 43.1 | -177.1 | -167.6 | 28.2 | 0 | 0 | 0 | 112.9 | L97 K98 E99 K103 | L97-N101 PolarHBondContact O-N 3.17Å; K98-N101 PolarHBondContact O-N 3.44Å; K98-N101 VanDerWaalsContact O-N 3.1Å; E99-N101 PolarHBondContact O-N 3.32Å; N101-K103 PolarHBondContact O-N 3.46Å |
| 102 | Y | 80.7 | Confident | 79 | Confident | 27 Ų | 27 | 84.2 Ų | 84.2 | 11% | 0.106 | 40% | 0.399 | C | S | . | . | trans | -63.4 | 131.5 | -175.4 | 179.3 | -100.5 | 0 | 0 | 0 | 111 | E77 V80 Y84 L97 I100 P104 | E77-Y102 PolarHBondContact O-OH 3.45Å; V80-Y102 HydrophobicContact CB-CE2 4.17Å; V80-Y102 HydrophobicContact CG1-CD1 4.16Å; V80-Y102 HydrophobicContact CG1-CD2 3.7Å; V80-Y102 HydrophobicContact CG1-CE1 4.07Å; V80-Y102 HydrophobicContact CG1-CE2 3.61Å; V80-Y102 HydrophobicContact CG1-CG 3.98Å; Y84-Y102 HydrophobicContact CD1-CE1 4.38Å; Y84-Y102 AromaticContact CD2-CD1 3.99Å; Y84-Y102 HydrophobicContact CD2-CD1 3.99Å; Y84-Y102 HydrophobicContact CD2-CE1 4.43Å; Y84-Y102 HydrophobicContact CG-CD1 4.01Å; Y84-Y102 HydrophobicContact CG-CE1 4Å; L97-Y102 HydrophobicContact CD2-CD1 4.36Å; L97-Y102 HydrophobicContact CD2-CG 4.38Å; L97-Y102 PolarHBondContact O-N 3.49Å; L97-Y102 VanDerWaalsContact O-N 3.15Å; I100-Y102 PolarHBondContact O-N 2.84Å; Y102-P104 HydrophobicContact CE1-CB 4.47Å | ||
| 103 | K | 77.3 | Confident | 79.4 | Confident | 155 Ų | 155 | 81 Ų | 81 | 67% | 0.674 | 38% | 0.383 | S | S | * | . | trans | -130.3 | 127.4 | 172.2 | -67.3 | -179.2 | -176.5 | 174.8 | 0 | 108.5 | N101 | N101-K103 PolarHBondContact O-N 3.46Š| ||
| 104 | P | 79.9 | Confident | 79.4 | Confident | 22 Ų | 22 | 84.1 Ų | 84.1 | 14% | 0.143 | 40% | 0.402 | C | S | . | . | trans | -64.2 | 145 | -179.3 | 28.7 | -35.6 | 0 | 0 | 0 | 111.1 | F81 Y84 Y102 E109 | F81-P104 HydrophobicContact CD2-CB 3.77Å; F81-P104 HydrophobicContact CE2-CB 3.68Å; F81-P104 HydrophobicContact CE2-CG 4.42Å; Y84-P104 HydrophobicContact CE1-CG 4.01Å; Y102-P104 HydrophobicContact CE1-CB 4.47Å; P104-E109 HydrophobicContact CB-CG 4.06Å; P104-E109 HydrophobicContact CG-CG 3.98Å | ||
| 105 | S | 80.3 | Confident | 79.4 | Confident | 6 Ų | 6 | 83.4 Ų | 83.4 | 4% | 0.042 | 40% | 0.399 | C | S | . | . | trans | -72.6 | 158.9 | 168.3 | 61.4 | 0 | 0 | 0 | 0 | 111.3 | E77 D107 M108 E109 | E77-S105 WeakPolarHBondContact OE1-CB 3.21Å; E77-S105 PolarHBondContact OE1-N 3.33Å; E77-S105 PolarHBondContact OE1-OG 2.93Å; S105-D107 VanDerWaalsContact C-N 3.25Å; S105-D107 PolarHBondContact O-N 3.08Å; S105-M108 PolarHBondContact O-N 3.3Å; S105-M108 VanDerWaalsContact O-N 3.16Å; S105-M108 WeakPolarHBondContact OG-CG 3.38Å; S105-E109 PolarHBondContact O-N 3.37Å; S105-E109 VanDerWaalsContact O-N 3.14Å | ||
| 106 | R | 73.4 | Confident | 79.3 | Confident | 210 Ų | 210 | 81.6 Ų | 81.6 | 79% | 0.792 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -60 | -36.9 | 179.9 | -70.2 | -175.1 | 179.2 | 178 | 0.2 | 112.2 | M108 E109 | R106-M108 VanDerWaalsContact C-N 3.31Å; R106-M108 PolarHBondContact O-N 2.89Å; R106-E109 PolarHBondContact O-N 3.3Å |
| 107 | D | 72.3 | Confident | 79 | Confident | 121 Ų | 121 | 82.5 Ų | 82.5 | 65% | 0.647 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -69.1 | -31.1 | 179.7 | -54 | -38.7 | 0 | 0 | 0 | 111.8 | S105 | S105-D107 VanDerWaalsContact C-N 3.25Å; S105-D107 PolarHBondContact O-N 3.08Å |
| 108 | M | 78.6 | Confident | 78.8 | Confident | 5 Ų | 5 | 83.8 Ų | 83.8 | 3% | 0.025 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -76.2 | -32.9 | 175.8 | -68.4 | -69.3 | 167.6 | 0 | 0 | 112.7 | D74 E77 F78 F81 S105 R106 E110 M111 | D74-M108 HydrophobicContact CB-CE 4.36Å; D74-M108 WeakPolarHBondContact O-CE 3.46Å; E77-M108 HydrophobicContact CB-CE 3.89Å; E77-M108 HydrophobicContact CG-CE 3.9Å; E77-M108 HydrophobicContact CG-CG 3.91Å; E77-M108 HydrophobicContact CG-SD 4.32Å; F78-M108 HydrophobicContact CB-CE 4.32Å; F78-M108 HydrophobicContact CB-SD 3.97Å; F78-M108 HydrophobicContact CD2-SD 4Å; F78-M108 HydrophobicContact CG-SD 4.49Å; F81-M108 HydrophobicContact CD2-CB 4.2Å; F81-M108 WeakPolarHBondContact CE1-O 3.43Å; F81-M108 HydrophobicContact CE2-CB 4.33Å; F81-M108 HydrophobicContact CG-CB 4.29Å; F81-M108 WeakPolarHBondContact CZ-O 3.36Å; S105-M108 PolarHBondContact O-N 3.3Å; S105-M108 VanDerWaalsContact O-N 3.16Å; S105-M108 WeakPolarHBondContact OG-CG 3.38Å; R106-M108 VanDerWaalsContact C-N 3.31Å; R106-M108 PolarHBondContact O-N 2.89Å; M108-E110 PolarHBondContact O-N 3.42Å; M108-M111 HydrophobicContact CE-CE 4.21Å; M108-M111 WeakPolarHBondContact O-CB 3.29Å; M108-M111 PolarHBondContact O-N 3.02Å; M108-M111 HydrophobicContact SD-CE 3.95Å; M108-M111 HydrophobicContact SD-SD 3.78Å |
| 109 | E | 75.9 | Confident | 78.9 | Confident | 114 Ų | 114 | 77.2 Ų | 77.2 | 53% | 0.533 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.2 | -24.6 | 177.9 | -72.8 | -173.2 | 157.9 | 0 | 0 | 113.6 | P104 S105 R106 | P104-E109 HydrophobicContact CB-CG 4.06Å; P104-E109 HydrophobicContact CG-CG 3.98Å; S105-E109 PolarHBondContact O-N 3.37Å; S105-E109 VanDerWaalsContact O-N 3.14Å; R106-E109 PolarHBondContact O-N 3.3Å |
| 110 | E | 75.9 | Confident | 78.9 | Confident | 174 Ų | 174 | 70.1 Ų | 70.1 | 81% | 0.813 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -16.4 | 175.8 | -63.8 | -173.6 | 176.7 | 0 | 0 | 113.2 | M108 | M108-E110 PolarHBondContact O-N 3.42Š|
| 111 | M | 79.7 | Confident | 79.1 | Confident | 60 Ų | 60 | 72.6 Ų | 72.6 | 30% | 0.296 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -76 | 136.9 | -179.2 | -63.2 | -166.5 | -174.6 | 0 | 0 | 112.2 | F42 F78 M108 V113 | F42-M111 HydrophobicContact CE2-SD 4.06Å; F42-M111 HydrophobicContact CZ-CE 4.18Å; F42-M111 HydrophobicContact CZ-SD 4.22Å; F78-M111 HydrophobicContact CD2-CB 4.25Å; F78-M111 HydrophobicContact CD2-SD 3.49Å; F78-M111 WeakPolarHBondContact CD2-SD 3.35Å; F78-M111 HydrophobicContact CE2-CB 3.73Å; F78-M111 HydrophobicContact CE2-CG 4.41Å; F78-M111 HydrophobicContact CE2-SD 3.8Å; F78-M111 HydrophobicContact CG-SD 4.25Å; M108-M111 HydrophobicContact CE-CE 4.21Å; M108-M111 WeakPolarHBondContact O-CB 3.29Å; M108-M111 PolarHBondContact O-N 3.02Å; M108-M111 HydrophobicContact SD-CE 3.95Å; M108-M111 HydrophobicContact SD-SD 3.78Å; M111-V113 PolarHBondContact O-N 3.45Å |
| 112 | K | 80.9 | Confident | 79.5 | Confident | 159 Ų | 159 | 67.2 Ų | 67.2 | 69% | 0.691 | 32% | 0.318 | S | S | * | . | trans | -83.1 | 116.6 | -178.7 | -170.6 | -178.3 | 179.1 | -176 | 0 | 110.6 | N40 V114 | N40-K112 PolarHBondContact ND2-O 2.93Å; K112-V114 HydrophobicContact CD-CG2 4.37Å; K112-V114 HydrophobicContact CG-CG2 4.21Å | ||
| 113 | V | 83.2 | Confident | 79.8 | Confident | 34 Ų | 34 | 66 Ų | 66 | 21% | 0.206 | 31% | 0.314 | C | S | . | . | trans | -107.7 | 128.3 | 170.5 | 179.3 | 0 | 0 | 0 | 0 | 108.6 | N36 F78 F81 I82 K85 I86 M111 | N36-V113 WeakPolarHBondContact OD1-CA 3.5Å; F78-V113 HydrophobicContact CE2-CG2 3.88Å; F78-V113 HydrophobicContact CZ-CG2 4.01Å; F81-V113 HydrophobicContact CD1-CG2 3.72Å; F81-V113 HydrophobicContact CE1-CG2 3.63Å; I82-V113 HydrophobicContact CG1-CG1 4.37Å; I82-V113 HydrophobicContact CG1-CG2 4.28Å; I82-V113 HydrophobicContact CG2-CG1 4.25Å; K85-V113 HydrophobicContact CB-CB 4.37Å; K85-V113 HydrophobicContact CB-CG1 4.17Å; K85-V113 HydrophobicContact CG-CG2 4.47Å; I86-V113 HydrophobicContact CD1-CG1 3.67Å; I86-V113 HydrophobicContact CG1-CG1 3.72Å; M111-V113 PolarHBondContact O-N 3.45Å | ||
| 114 | V | 80.3 | Confident | 80.2 | Confident | 68 Ų | 68 | 61.8 Ų | 61.8 | 41% | 0.412 | 30% | 0.296 | S | S | . | . | trans | -116.2 | 127.9 | 178.1 | -177.8 | 0 | 0 | 0 | 0 | 109.1 | N36 K112 T116 | N36-V114 PolarHBondContact ND2-O 3.49Å; N36-V114 PolarHBondContact OD1-N 3.02Å; N36-V114 PolarHBondContact OD1-O 2.76Å; K112-V114 HydrophobicContact CD-CG2 4.37Å; K112-V114 HydrophobicContact CG-CG2 4.21Å; V114-T116 HydrophobicContact CG1-CG2 4.33Å; V114-T116 PolarHBondContact O-N 3.02Å | ||
| 115 | N | 79.8 | Confident | 80.6 | Confident | 22 Ų | 22 | 62.9 Ų | 62.9 | 12% | 0.118 | 30% | 0.299 | C | S | . | . | trans | -72.9 | 108.4 | 171.9 | -171.8 | 0.6 | 0 | 0 | 0 | 109.2 | I86 D117 S120 R121 E124 | I86-N115 HydrophobicContact CD1-CB 4.48Å; I86-N115 HydrophobicContact CG2-CB 4.18Å; N115-D117 PolarHBondContact OD1-N 3.26Å; N115-S120 PolarHBondContact ND2-OG 3.37Å; N115-R121 HydrophobicContact CB-CG 4.15Å; N115-R121 WeakPolarHBondContact O-CD 3.23Å; N115-R121 WeakPolarHBondContact O-CG 3.45Å; N115-E124 VanDerWaalsContact ND2-CD 3.28Å; N115-E124 PolarHBondContact ND2-OE1 3.44Å; N115-E124 PolarHBondContact ND2-OE2 2.96Å | ||
| 116 | T | 77.6 | Confident | 81 | Confident | 49 Ų | 49 | 62.9 Ų | 62.9 | 30% | 0.301 | 30% | 0.298 | S | S | . | . | trans | -100.2 | -6.5 | 177.9 | 60.4 | 0 | 0 | 0 | 0 | 113 | C32 D35 V114 P118 | C32-T116 VanDerWaalsContact CA-OG1 3.3Å; C32-T116 WeakPolarHBondContact CA-OG1 3.26Å; D35-T116 HydrophobicContact CB-CG2 4.07Å; D35-T116 WeakPolarHBondContact OD2-CB 3.49Å; D35-T116 PolarHBondContact OD2-OG1 2.67Å; V114-T116 HydrophobicContact CG1-CG2 4.33Å; V114-T116 PolarHBondContact O-N 3.02Å; T116-P118 WeakPolarHBondContact O-CD 3.3Å | ||
| 117 | D | 78.5 | Confident | 81.8 | Confident | 26 Ų | 26 | 53.7 Ų | 53.7 | 14% | 0.139 | 26% | 0.264 | C | S | . | . | trans | -76.1 | 117 | -180 | -176.8 | 96.8 | 0 | 0 | 0 | 111.2 | S29 C32 N115 I119 S120 R121 | S29-D117 WeakPolarHBondContact CB-OD1 3.18Å; S29-D117 PolarHBondContact OG-OD1 3.05Å; C32-D117 HydrophobicContact CB-CB 4.17Å; N115-D117 PolarHBondContact OD1-N 3.26Å; D117-I119 VanDerWaalsContact C-N 3.33Å; D117-I119 PolarHBondContact O-N 3.16Å; D117-I119 WeakPolarHBondContact OD2-CB 3.39Å; D117-I119 PolarHBondContact OD2-N 3.42Å; D117-S120 PolarHBondContact O-N 3.36Å; D117-S120 VanDerWaalsContact OD2-CB 3.23Å; D117-S120 WeakPolarHBondContact OD2-CB 3.36Å; D117-S120 PolarHBondContact OD2-N 3.01Å; D117-R121 WeakPolarHBondContact O-CB 3.46Å; D117-R121 VanDerWaalsContact O-CG 3.27Å; D117-R121 WeakPolarHBondContact O-CG 3.37Å; D117-R121 PolarHBondContact O-N 3.31Å | ||
| 118 | P | 78.3 | Confident | 82.5 | Confident | 34 Ų | 34 | 53.6 Ų | 53.6 | 22% | 0.221 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.8 | -37.6 | -174 | -27.6 | 37.3 | 0 | 0 | 0 | 114.1 | T116 Y122 E260 V261 | T116-P118 WeakPolarHBondContact O-CD 3.3Å; P118-Y122 WeakPolarHBondContact O-CB 3.34Å; P118-Y122 PolarHBondContact O-N 3.47Å; P118-E260 WeakPolarHBondContact CG-OE2 3.42Å; P118-V261 HydrophobicContact CB-CG2 4.27Å |
| 119 | I | 82.4 | Confident | 82.9 | Confident | 30 Ų | 30 | 56.2 Ų | 56.2 | 15% | 0.154 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.5 | -49.7 | -179.5 | -61.4 | 160 | 0 | 0 | 0 | 109.8 | D117 Y122 C123 I221 F222 Y264 | D117-I119 VanDerWaalsContact C-N 3.33Å; D117-I119 PolarHBondContact O-N 3.16Å; D117-I119 WeakPolarHBondContact OD2-CB 3.39Å; D117-I119 PolarHBondContact OD2-N 3.42Å; I119-Y122 PolarHBondContact O-N 3.15Å; I119-C123 WeakPolarHBondContact O-CB 3.46Å; I119-C123 PolarHBondContact O-N 3.3Å; I119-I221 HydrophobicContact CG2-CG2 4.36Å; I119-F222 HydrophobicContact CG2-CE1 4.5Å; I119-F222 HydrophobicContact CG2-CE2 4.45Å; I119-F222 HydrophobicContact CG2-CZ 3.71Å; I119-Y264 HydrophobicContact CD1-CD2 3.24Å; I119-Y264 HydrophobicContact CD1-CE2 3.72Å; I119-Y264 HydrophobicContact CD1-CG 3.72Å; I119-Y264 HydrophobicContact CG1-CD2 4.19Å; I119-Y264 HydrophobicContact CG1-CG 4.18Å; I119-Y264 HydrophobicContact CG2-CD1 4.46Å; I119-Y264 HydrophobicContact CG2-CE1 4.47Å |
| 120 | S | 82.1 | Confident | 83.4 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 3% | 0.028 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.2 | -46 | 177.8 | -176.4 | 0 | 0 | 0 | 0 | 111.4 | D88 A89 N115 D117 Y122 C123 E124 | D88-S120 WeakPolarHBondContact CB-OG 3.41Å; A89-S120 PolarHBondContact N-OG 3.43Å; N115-S120 PolarHBondContact ND2-OG 3.37Å; D117-S120 PolarHBondContact O-N 3.36Å; D117-S120 VanDerWaalsContact OD2-CB 3.23Å; D117-S120 WeakPolarHBondContact OD2-CB 3.36Å; D117-S120 PolarHBondContact OD2-N 3.01Å; S120-Y122 PolarHBondContact O-N 3Å; S120-C123 WeakPolarHBondContact O-CB 3.41Å; S120-C123 PolarHBondContact O-N 3.45Å; S120-E124 WeakPolarHBondContact O-CG 3.15Å; S120-E124 PolarHBondContact O-N 3.32Å |
| 121 | R | 84.6 | Confident | 84 | Confident | 89 Ų | 89 | 44.8 Ų | 44.8 | 34% | 0.336 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.6 | -45.8 | 176.4 | -74.1 | 177.3 | 67.8 | -177.7 | -4.6 | 112.3 | N115 D117 E124 K125 | N115-R121 HydrophobicContact CB-CG 4.15Å; N115-R121 WeakPolarHBondContact O-CD 3.23Å; N115-R121 WeakPolarHBondContact O-CG 3.45Å; D117-R121 WeakPolarHBondContact O-CB 3.46Å; D117-R121 VanDerWaalsContact O-CG 3.27Å; D117-R121 WeakPolarHBondContact O-CG 3.37Å; D117-R121 PolarHBondContact O-N 3.31Å; R121-E124 PolarHBondContact O-N 2.97Å; R121-K125 WeakPolarHBondContact O-CB 3.37Å; R121-K125 PolarHBondContact O-N 3.15Å |
| 122 | Y | 87.3 | Confident | 84.2 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 1% | 0.012 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.9 | -40.5 | 178.2 | 178.3 | -115.5 | 0 | 0 | 0 | 111.7 | P118 I119 S120 K125 Q126 F222 F224 F247 C251 P253 V261 | P118-Y122 WeakPolarHBondContact O-CB 3.34Å; P118-Y122 PolarHBondContact O-N 3.47Å; I119-Y122 PolarHBondContact O-N 3.15Å; S120-Y122 PolarHBondContact O-N 3Å; Y122-K125 PolarHBondContact O-N 3.36Å; Y122-Q126 WeakPolarHBondContact O-CB 3.35Å; Y122-Q126 PolarHBondContact O-N 2.7Å; Y122-F222 AromaticContact CD1-CD1 3.9Å; Y122-F222 HydrophobicContact CD1-CD1 3.9Å; Y122-F222 AromaticContact CD1-CE1 3.47Å; Y122-F222 HydrophobicContact CD1-CE1 3.47Å; Y122-F222 VanDerWaalsContact CD1-CE1 3.47Å; Y122-F222 HydrophobicContact CD1-CZ 4.28Å; Y122-F222 AromaticContact CE1-CD1 3.93Å; Y122-F222 HydrophobicContact CE1-CD1 3.93Å; Y122-F222 AromaticContact CE1-CE1 3.96Å; Y122-F222 HydrophobicContact CE1-CE1 3.96Å; Y122-F224 HydrophobicContact CE1-CZ 4.42Å; Y122-F224 WeakPolarHBondContact OH-CE1 3.43Å; Y122-F247 HydrophobicContact CE1-CE1 4.01Å; Y122-F247 HydrophobicContact CE2-CD1 4.42Å; Y122-F247 HydrophobicContact CE2-CE1 4.49Å; Y122-F247 AromaticContact CZ-CD1 3.94Å; Y122-F247 AromaticContact CZ-CE1 3.82Å; Y122-C251 HydrophobicContact CE2-CB 4.06Å; Y122-C251 VanDerWaalsContact CE2-O 3.32Å; Y122-C251 WeakPolarHBondContact CE2-O 3.25Å; Y122-C251 PolarHBondContact OH-O 2.68Å; Y122-C251 VanDerWaalsContact OH-O 3.09Å; Y122-P253 HydrophobicContact CD2-CB 3.74Å; Y122-P253 HydrophobicContact CE2-CB 4.27Å; Y122-P253 HydrophobicContact CG-CB 4.14Å; Y122-V261 HydrophobicContact CD1-CG1 3.32Å; Y122-V261 HydrophobicContact CE1-CG1 3.84Å; Y122-V261 HydrophobicContact CG-CG1 3.89Å |
| 123 | C | 87.6 | Confident | 84.1 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.007 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.4 | -48.3 | 173.5 | 179.5 | 0 | 0 | 0 | 0 | 111.8 | I119 S120 K125 Q126 R127 I221 F222 | I119-C123 WeakPolarHBondContact O-CB 3.46Å; I119-C123 PolarHBondContact O-N 3.3Å; S120-C123 WeakPolarHBondContact O-CB 3.41Å; S120-C123 PolarHBondContact O-N 3.45Å; C123-K125 PolarHBondContact O-N 3.5Å; C123-Q126 PolarHBondContact O-N 3.04Å; C123-R127 WeakPolarHBondContact O-CG 3.45Å; C123-R127 PolarHBondContact O-N 3.32Å; C123-I221 HydrophobicContact CB-CG2 4.29Å; C123-I221 PolarHBondContact SG-O 3.46Å; C123-F222 HydrophobicContact CB-CE1 4.32Å |
| 124 | E | 85.6 | Confident | 84.2 | Confident | 66 Ų | 66 | 45.3 Ų | 45.3 | 31% | 0.308 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.8 | -44.6 | 177.1 | -76.8 | 177.7 | 169 | 0 | 0 | 111.8 | D88 N115 S120 R121 R127 H128 | D88-E124 HydrophobicContact CB-CG 4.24Å; D88-E124 WeakPolarHBondContact OD2-CG 3.31Å; N115-E124 VanDerWaalsContact ND2-CD 3.28Å; N115-E124 PolarHBondContact ND2-OE1 3.44Å; N115-E124 PolarHBondContact ND2-OE2 2.96Å; S120-E124 WeakPolarHBondContact O-CG 3.15Å; S120-E124 PolarHBondContact O-N 3.32Å; R121-E124 PolarHBondContact O-N 2.97Å; E124-R127 PolarHBondContact O-N 2.68Å; E124-H128 WeakPolarHBondContact O-CB 3.47Å; E124-H128 PolarHBondContact O-N 2.99Å |
| 125 | K | 87.9 | Confident | 84.4 | Confident | 46 Ų | 46 | 43.5 Ų | 43.5 | 20% | 0.2 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.7 | -49.9 | 175.1 | -176.2 | -179.2 | 179.7 | 177.4 | 0 | 111.2 | R121 Y122 C123 R127 H128 E129 C251 Y252 D254 | R121-K125 WeakPolarHBondContact O-CB 3.37Å; R121-K125 PolarHBondContact O-N 3.15Å; Y122-K125 PolarHBondContact O-N 3.36Å; C123-K125 PolarHBondContact O-N 3.5Å; K125-R127 VanDerWaalsContact C-N 3.34Å; K125-R127 PolarHBondContact O-N 3.24Å; K125-H128 PolarHBondContact O-N 3.33Å; K125-H128 VanDerWaalsContact O-N 3.13Å; K125-E129 WeakPolarHBondContact CE-OE1 3.07Å; K125-E129 PolarHBondContact O-N 3.37Å; K125-C251 VanDerWaalsContact CD-SG 3.54Å; K125-C251 VanDerWaalsContact CE-SG 3.56Å; K125-Y252 PolarHBondContact NZ-O 3.15Å; K125-D254 VanDerWaalsContact CD-OD2 3.32Å; K125-D254 WeakPolarHBondContact CD-OD2 3.25Å; K125-D254 WeakPolarHBondContact CE-OD2 3.44Å; K125-D254 IonicContact NZ-OD1 3.16Å; K125-D254 PolarHBondContact NZ-OD1 3.1Å; K125-D254 IonicContact NZ-OD2 3.95Å; K125-D254 PolarHBondContact NZ-OD2 3.31Å |
| 126 | Q | 89.1 | Confident | 84.5 | Confident | 5 Ų | 5 | 45.6 Ų | 45.6 | 2% | 0.023 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.4 | -42.4 | 179 | -173.8 | 178.3 | 68.5 | 0 | 0 | 111.4 | Y122 C123 H128 M130 W211 F223 | Y122-Q126 WeakPolarHBondContact O-CB 3.35Å; Y122-Q126 PolarHBondContact O-N 2.7Å; C123-Q126 PolarHBondContact O-N 3.04Å; Q126-H128 PolarHBondContact O-N 2.81Å; Q126-M130 WeakPolarHBondContact O-CB 3.31Å; Q126-M130 PolarHBondContact O-N 3.34Å; Q126-W211 HydrophobicContact CB-CH2 4.32Å; Q126-W211 HydrophobicContact CG-CH2 3.97Å; Q126-W211 HydrophobicContact CG-CZ3 4.2Å; Q126-W211 VanDerWaalsContact OE1-CH2 3.3Å; Q126-F223 VanDerWaalsContact CD-O 3.27Å; Q126-F223 PolarHBondContact NE2-O 2.73Å; Q126-F223 VanDerWaalsContact NE2-O 3.15Å |
| 127 | R | 89.4 | Confident | 84.4 | Confident | 18 Ų | 18 | 44.5 Ų | 44.5 | 7% | 0.068 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.6 | -41.4 | 174.8 | -72.2 | -175.8 | -162.1 | -99.2 | 8.8 | 111.8 | D88 C123 E124 K125 M130 S131 W211 | D88-R127 IonicContact OD1-CZ 2.74Å; D88-R127 IonicContact OD1-NE 3.61Å; D88-R127 PolarHBondContact OD1-NE 2.68Å; D88-R127 IonicContact OD1-NH2 3.26Å; D88-R127 PolarHBondContact OD1-NH2 3.38Å; D88-R127 IonicContact OD2-NE 2.92Å; C123-R127 WeakPolarHBondContact O-CG 3.45Å; C123-R127 PolarHBondContact O-N 3.32Å; E124-R127 PolarHBondContact O-N 2.68Å; K125-R127 VanDerWaalsContact C-N 3.34Å; K125-R127 PolarHBondContact O-N 3.24Å; R127-M130 PolarHBondContact O-N 3.22Å; R127-S131 VanDerWaalsContact O-CB 3.22Å; R127-S131 WeakPolarHBondContact O-CB 3.49Å; R127-S131 PolarHBondContact O-N 2.84Å; R127-W211 HydrophobicContact CB-CZ3 4.36Å; R127-W211 HydrophobicContact CG-CE3 4.3Å; R127-W211 HydrophobicContact CG-CH2 3.58Å; R127-W211 HydrophobicContact CG-CZ2 4.06Å; R127-W211 HydrophobicContact CG-CZ3 3.71Å; R127-W211 PolarHBondContact NH1-O 3.26Å |
| 128 | H | 88.2 | Confident | 83.5 | Confident | 118 Ų | 118 | 48.8 Ų | 48.8 | 55% | 0.546 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64 | -49 | 179.5 | -175.7 | 74.5 | 0 | 0 | 0 | 111.8 | E124 K125 Q126 S131 R132 | E124-H128 WeakPolarHBondContact O-CB 3.47Å; E124-H128 PolarHBondContact O-N 2.99Å; K125-H128 PolarHBondContact O-N 3.33Å; K125-H128 VanDerWaalsContact O-N 3.13Å; Q126-H128 PolarHBondContact O-N 2.81Å; H128-S131 PolarHBondContact O-N 3.08Å; H128-R132 WeakPolarHBondContact O-CG 3.42Å; H128-R132 PolarHBondContact O-N 3.11Å; H128-R132 VanDerWaalsContact O-N 3.08Å |
| 129 | E | 86.1 | Confident | 82.6 | Confident | 60 Ų | 60 | 48.2 Ų | 48.2 | 28% | 0.28 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.4 | -45.1 | 175.8 | -69.1 | -179.5 | -175.6 | 0 | 0 | 111.3 | K125 S131 R132 D133 C251 | K125-E129 WeakPolarHBondContact CE-OE1 3.07Å; K125-E129 PolarHBondContact O-N 3.37Å; E129-S131 VanDerWaalsContact C-N 3.33Å; E129-S131 PolarHBondContact O-N 3.15Å; E129-R132 PolarHBondContact O-N 3.25Å; E129-D133 PolarHBondContact O-N 2.68Å; E129-C251 VanDerWaalsContact OE2-CB 3.22Å; E129-C251 WeakPolarHBondContact OE2-CB 3.42Å; E129-C251 PolarHBondContact OE2-SG 3.22Å; E129-C251 VanDerWaalsContact OE2-SG 3.34Å |
| 130 | M | 87.6 | Confident | 81 | Confident | 7 Ų | 7 | 47.4 Ų | 47.4 | 3% | 0.034 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.1 | -40.8 | 176.8 | -166.8 | 70.1 | 71.7 | 0 | 0 | 112.3 | Q126 R127 D133 T134 Q208 W211 F223 K225 | Q126-M130 WeakPolarHBondContact O-CB 3.31Å; Q126-M130 PolarHBondContact O-N 3.34Å; R127-M130 PolarHBondContact O-N 3.22Å; M130-D133 PolarHBondContact O-N 2.98Å; M130-T134 HydrophobicContact CG-CG2 4.1Å; M130-T134 VanDerWaalsContact O-CB 3.29Å; M130-T134 WeakPolarHBondContact O-CB 3.48Å; M130-T134 WeakPolarHBondContact O-CG2 3.45Å; M130-T134 PolarHBondContact O-N 3.3Å; M130-T134 PolarHBondContact O-OG1 3.26Å; M130-T134 HydrophobicContact SD-CG2 4.01Å; M130-Q208 HydrophobicContact CG-CB 4.05Å; M130-Q208 HydrophobicContact SD-CB 3.79Å; M130-Q208 HydrophobicContact SD-CG 4.03Å; M130-W211 HydrophobicContact CB-CZ3 4.25Å; M130-W211 HydrophobicContact CG-CE3 4.32Å; M130-W211 HydrophobicContact CG-CZ3 4.41Å; M130-F223 HydrophobicContact CE-CD1 4.21Å; M130-F223 WeakPolarHBondContact CE-O 3.33Å; M130-K225 HydrophobicContact CE-CB 4.42Å; M130-K225 HydrophobicContact CE-CD 4.11Å; M130-K225 HydrophobicContact CE-CG 4.11Å; M130-K225 HydrophobicContact SD-CD 3.72Å; M130-K225 HydrophobicContact SD-CG 4.37Å |
| 131 | S | 87.4 | Confident | 79.5 | Confident | 41 Ų | 41 | 47.9 Ų | 47.9 | 29% | 0.287 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63 | -44.4 | 177.7 | -178.4 | 0 | 0 | 0 | 0 | 111 | R127 H128 E129 T134 S135 | R127-S131 VanDerWaalsContact O-CB 3.22Å; R127-S131 WeakPolarHBondContact O-CB 3.49Å; R127-S131 PolarHBondContact O-N 2.84Å; H128-S131 PolarHBondContact O-N 3.08Å; E129-S131 VanDerWaalsContact C-N 3.33Å; E129-S131 PolarHBondContact O-N 3.15Å; S131-T134 PolarHBondContact O-N 2.96Å; S131-S135 WeakPolarHBondContact O-CB 3.46Å; S131-S135 PolarHBondContact O-N 2.94Å; S131-S135 PolarHBondContact O-OG 3.14Å |
| 132 | R | 83.9 | Confident | 77.7 | Confident | 167 Ų | 167 | 50.7 Ų | 50.7 | 63% | 0.63 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -58.6 | -51.1 | 175.2 | -71.4 | 177.4 | 63.3 | -166.6 | -4.4 | 111.1 | H128 E129 T134 S135 | H128-R132 WeakPolarHBondContact O-CG 3.42Å; H128-R132 PolarHBondContact O-N 3.11Å; H128-R132 VanDerWaalsContact O-N 3.08Å; E129-R132 PolarHBondContact O-N 3.25Å; R132-T134 VanDerWaalsContact C-N 3.34Å; R132-T134 PolarHBondContact O-N 2.74Å; R132-S135 PolarHBondContact O-OG 3.27Å |
| 133 | D | 80.2 | Confident | 75.8 | Confident | 96 Ų | 96 | 59.5 Ų | 59.5 | 51% | 0.513 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -69.1 | -29.9 | -175.2 | -67.1 | -8.1 | 0 | 0 | 0 | 113.9 | E129 M130 K225 | E129-D133 PolarHBondContact O-N 2.68Å; M130-D133 PolarHBondContact O-N 2.98Å; D133-K225 IonicContact OD2-NZ 3.62Å; D133-K225 PolarHBondContact OD2-NZ 3.32Å |
| 134 | T | 85.1 | Confident | 74.2 | Confident | 2 Ų | 2 | 64.7 Ų | 64.7 | 1% | 0.012 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -98.6 | -14.6 | -173.6 | 61.4 | 0 | 0 | 0 | 0 | 113.8 | M130 S131 R132 F136 L148 Q205 Q208 N209 | M130-T134 HydrophobicContact CG-CG2 4.1Å; M130-T134 VanDerWaalsContact O-CB 3.29Å; M130-T134 WeakPolarHBondContact O-CB 3.48Å; M130-T134 WeakPolarHBondContact O-CG2 3.45Å; M130-T134 PolarHBondContact O-N 3.3Å; M130-T134 PolarHBondContact O-OG1 3.26Å; M130-T134 HydrophobicContact SD-CG2 4.01Å; S131-T134 PolarHBondContact O-N 2.96Å; R132-T134 VanDerWaalsContact C-N 3.34Å; R132-T134 PolarHBondContact O-N 2.74Å; T134-F136 PolarHBondContact O-N 3.21Å; T134-L148 WeakPolarHBondContact O-CD2 3.42Å; T134-Q205 HydrophobicContact CG2-CG 4.11Å; T134-Q205 PolarHBondContact O-NE2 3.48Å; T134-Q208 HydrophobicContact CG2-CB 3.64Å; T134-N209 WeakPolarHBondContact OG1-CA 3.31Å; T134-N209 WeakPolarHBondContact OG1-CB 3.41Å; T134-N209 PolarHBondContact OG1-ND2 3.34Å |
| 135 | S | 83.5 | Confident | 73.2 | Confident | 29 Ų | 29 | 67.7 Ų | 67.7 | 20% | 0.203 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -65.1 | -23.6 | -174.1 | 56.6 | 0 | 0 | 0 | 0 | 114.6 | S131 R132 R147 L148 | S131-S135 WeakPolarHBondContact O-CB 3.46Å; S131-S135 PolarHBondContact O-N 2.94Å; S131-S135 PolarHBondContact O-OG 3.14Å; R132-S135 PolarHBondContact O-OG 3.27Å; S135-R147 WeakPolarHBondContact O-CA 3.25Å; S135-L148 PolarHBondContact O-N 3.14Å |
| 136 | F | 81.5 | Confident | 72.6 | Confident | 66 Ų | 66 | 66.8 Ų | 66.8 | 29% | 0.289 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 137.1 | -176.3 | -59.7 | -76.7 | 0 | 0 | 0 | 112.6 | T134 E145 T146 R147 Q205 | T134-F136 PolarHBondContact O-N 3.21Å; F136-E145 HydrophobicContact CB-CB 4.29Å; F136-E145 HydrophobicContact CD1-CB 3.59Å; F136-E145 HydrophobicContact CE1-CB 4.07Å; F136-E145 HydrophobicContact CG-CB 4Å; F136-T146 WeakPolarHBondContact CA-O 3.41Å; F136-R147 HydrophobicContact CD1-CG 4.11Å; F136-R147 HydrophobicContact CE1-CG 3.8Å; F136-Q205 PolarHBondContact O-NE2 3.2Å |
| 137 | I | 75.3 | Confident | 72.3 | Confident | 26 Ų | 26 | 73.5 Ų | 73.5 | 13% | 0.133 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 119.6 | 162.4 | -60.2 | 165.7 | 0 | 0 | 0 | 106.2 | S139 T146 L148 L151 I202 | I137-S139 PolarHBondContact O-N 2.9Å; I137-T146 PolarHBondContact N-O 2.9Å; I137-L148 HydrophobicContact CD1-CD1 3.78Å; I137-L148 HydrophobicContact CG1-CB 4.2Å; I137-L148 HydrophobicContact CG1-CD1 3.59Å; I137-L151 HydrophobicContact CD1-CB 4.02Å; I137-I202 HydrophobicContact CG2-CD1 4.49Å |
| 138 | M | 61 | Low | 72.1 | Confident | 116 Ų | 116 | 72.7 Ų | 72.7 | 57% | 0.571 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -57 | 126.3 | 174.1 | -71.3 | -168.3 | 65.1 | 0 | 0 | 110.3 | R493 | M138-R493 HydrophobicContact CE-CB 4.04Š|
| 139 | S | 58.9 | Low | 71.8 | Confident | 22 Ų | 22 | 71.3 Ų | 71.3 | 15% | 0.154 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -97.3 | 173.6 | 171.7 | 88.2 | 0 | 0 | 0 | 0 | 111.5 | I137 G141 D144 | I137-S139 PolarHBondContact O-N 2.9Å; S139-G141 PolarHBondContact O-N 3.43Å; S139-G141 PolarHBondContact OG-N 3.23Å; S139-G141 PolarHBondContact OG-O 2.63Å; S139-D144 WeakPolarHBondContact CB-O 3.37Å; S139-D144 WeakPolarHBondContact OG-CB 3.38Å; S139-D144 PolarHBondContact OG-O 3.33Å |
| 140 | Y | 48.2 | Very low | 71.7 | Confident | 14 Ų | 14 | 72.7 Ų | 72.7 | 6% | 0.055 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -60 | -19.1 | 176.7 | -62.5 | -56.7 | 0 | 0 | 0 | 115.1 | W388 I389 K392 L420 F424 R427 I510 | Y140-W388 AromaticContact CD1-CH2 3.51Å; Y140-W388 HydrophobicContact CD1-CH2 3.51Å; Y140-W388 HydrophobicContact CD1-CZ2 4.48Å; Y140-W388 AromaticContact CD1-CZ3 3.96Å; Y140-W388 HydrophobicContact CD1-CZ3 3.96Å; Y140-W388 AromaticContact CD2-CH2 3.6Å; Y140-W388 HydrophobicContact CD2-CH2 3.6Å; Y140-W388 AromaticContact CD2-CZ2 3.84Å; Y140-W388 HydrophobicContact CD2-CZ2 3.84Å; Y140-W388 HydrophobicContact CD2-CZ3 4.27Å; Y140-W388 HydrophobicContact CE1-CE3 4.21Å; Y140-W388 AromaticContact CE1-CH2 3.22Å; Y140-W388 HydrophobicContact CE1-CH2 3.22Å; Y140-W388 HydrophobicContact CE1-CZ2 4.34Å; Y140-W388 AromaticContact CE1-CZ3 3.16Å; Y140-W388 HydrophobicContact CE1-CZ3 3.16Å; Y140-W388 HydrophobicContact CE2-CD2 4.32Å; Y140-W388 AromaticContact CE2-CE3 3.97Å; Y140-W388 HydrophobicContact CE2-CE3 3.97Å; Y140-W388 AromaticContact CE2-CH2 3.28Å; Y140-W388 HydrophobicContact CE2-CH2 3.28Å; Y140-W388 AromaticContact CE2-CZ2 3.63Å; Y140-W388 HydrophobicContact CE2-CZ2 3.63Å; Y140-W388 AromaticContact CE2-CZ3 3.5Å; Y140-W388 HydrophobicContact CE2-CZ3 3.5Å; Y140-W388 AromaticContact CG-CH2 3.74Å; Y140-W388 HydrophobicContact CG-CH2 3.74Å; Y140-W388 HydrophobicContact CG-CZ2 4.29Å; Y140-W388 HydrophobicContact CG-CZ3 4.48Å; Y140-W388 AromaticContact CZ-CE3 3.54Å; Y140-W388 AromaticContact CZ-CH2 3.11Å; Y140-W388 AromaticContact CZ-CZ2 3.94Å; Y140-W388 AromaticContact CZ-CZ3 2.9Å; Y140-W388 WeakPolarHBondContact OH-CZ3 3.39Å; Y140-I389 WeakPolarHBondContact OH-CA 3.24Å; Y140-I389 WeakPolarHBondContact OH-CG1 3.31Å; Y140-K392 HydrophobicContact CD2-CB 4.48Å; Y140-K392 HydrophobicContact CE2-CB 4.03Å; Y140-K392 HydrophobicContact CE2-CG 4.44Å; Y140-L420 HydrophobicContact CD1-CD1 4.06Å; Y140-L420 HydrophobicContact CD2-CD1 4.42Å; Y140-L420 HydrophobicContact CE1-CD1 3.41Å; Y140-L420 VanDerWaalsContact CE1-CD1 3.41Å; Y140-L420 HydrophobicContact CE1-CD2 4.13Å; Y140-L420 HydrophobicContact CE1-CG 4.37Å; Y140-L420 HydrophobicContact CE2-CD1 3.85Å; Y140-L420 HydrophobicContact CG-CD1 4.48Å; Y140-L420 WeakPolarHBondContact OH-CD1 3.4Å; Y140-F424 VanDerWaalsContact CB-CE1 3.48Å; Y140-F424 AromaticContact CD1-CE1 3.3Å; Y140-F424 HydrophobicContact CD1-CE1 3.3Å; Y140-F424 HydrophobicContact CD1-CE2 4.46Å; Y140-F424 AromaticContact CD1-CZ 3.17Å; Y140-F424 HydrophobicContact CD1-CZ 3.17Å; Y140-F424 HydrophobicContact CD2-CE1 4.2Å; Y140-F424 AromaticContact CE1-CE1 3.92Å; Y140-F424 HydrophobicContact CE1-CE1 3.92Å; Y140-F424 AromaticContact CE1-CZ 3.62Å; Y140-F424 HydrophobicContact CE1-CZ 3.62Å; Y140-F424 AromaticContact CG-CE1 3.41Å; Y140-F424 HydrophobicContact CG-CE1 3.41Å; Y140-F424 VanDerWaalsContact CG-CE1 3.41Å; Y140-F424 AromaticContact CG-CZ 3.82Å; Y140-F424 HydrophobicContact CG-CZ 3.82Å; Y140-R427 PolarHBondContact O-NH1 3.18Å; Y140-R427 PolarHBondContact O-NH2 2.85Å; Y140-I510 HydrophobicContact CD1-CD1 3.66Å; Y140-I510 HydrophobicContact CE1-CD1 4.09Å |
| 141 | G | 50.3 | Low | 71.6 | Confident | 14 Ų | 14 | 72.8 Ų | 72.8 | 14% | 0.144 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -117.3 | 136.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | S139 Q143 D144 | S139-G141 PolarHBondContact O-N 3.43Å; S139-G141 PolarHBondContact OG-N 3.23Å; S139-G141 PolarHBondContact OG-O 2.63Å; G141-Q143 PolarHBondContact O-N 3.42Å; G141-D144 PolarHBondContact O-N 3.36Å |
| 142 | Q | 48.4 | Very low | 71.6 | Confident | 147 Ų | 147 | 72.5 Ų | 72.5 | 69% | 0.687 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -9.5 | 173.8 | -71.4 | 179.5 | -17.9 | 0 | 0 | 113.7 | ||
| 143 | Q | 47 | Very low | 71.8 | Confident | 188 Ų | 188 | 65.2 Ų | 65.2 | 88% | 0.879 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | -14.4 | -177.9 | -66.5 | -176.1 | -8.7 | 0 | 0 | 115.2 | G141 | G141-Q143 PolarHBondContact O-N 3.42Š|
| 144 | D | 53.5 | Low | 72.1 | Confident | 111 Ų | 111 | 63.9 Ų | 63.9 | 59% | 0.594 | 31% | 0.313 | S | S | * | . | trans | -106.7 | 78.2 | -175.7 | -89.9 | -16.6 | 0 | 0 | 0 | 110.6 | S139 G141 T146 | S139-D144 WeakPolarHBondContact CB-O 3.37Å; S139-D144 WeakPolarHBondContact OG-CB 3.38Å; S139-D144 PolarHBondContact OG-O 3.33Å; G141-D144 PolarHBondContact O-N 3.36Å; D144-T146 PolarHBondContact O-N 3.48Å | ||
| 145 | E | 64.4 | Low | 72.1 | Confident | 128 Ų | 128 | 64.4 Ų | 64.4 | 60% | 0.598 | 32% | 0.316 | S | S | * | . | trans | -79.3 | 113.5 | 175.6 | -65.7 | -175.4 | 167.2 | 0 | 0 | 110 | F136 | F136-E145 HydrophobicContact CB-CB 4.29Å; F136-E145 HydrophobicContact CD1-CB 3.59Å; F136-E145 HydrophobicContact CE1-CB 4.07Å; F136-E145 HydrophobicContact CG-CB 4Å | ||
| 146 | T | 75.4 | Confident | 72.2 | Confident | 27 Ų | 27 | 64.7 Ų | 64.7 | 17% | 0.166 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 127.5 | 173.6 | -43.4 | 0 | 0 | 0 | 0 | 109.2 | F136 I137 D144 L148 L151 K392 | F136-T146 WeakPolarHBondContact CA-O 3.41Å; I137-T146 PolarHBondContact N-O 2.9Å; D144-T146 PolarHBondContact O-N 3.48Å; T146-L148 PolarHBondContact O-N 3.46Å; T146-L151 HydrophobicContact CG2-CD1 3.28Å; T146-L151 HydrophobicContact CG2-CG 3.62Å; T146-K392 PolarHBondContact OG1-NZ 2.92Å |
| 147 | R | 83.1 | Confident | 72.5 | Confident | 147 Ų | 147 | 61.7 Ų | 61.7 | 56% | 0.555 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 138.6 | 177.6 | -66.2 | 179.8 | 171.9 | -170 | -3 | 110.1 | S135 F136 E149 D150 | S135-R147 WeakPolarHBondContact O-CA 3.25Å; F136-R147 HydrophobicContact CD1-CG 4.11Å; F136-R147 HydrophobicContact CE1-CG 3.8Å; R147-E149 PolarHBondContact O-N 3.4Å; R147-D150 HydrophobicContact CB-CB 4.38Å; R147-D150 PolarHBondContact O-N 3.41Å |
| 148 | L | 85.4 | Confident | 73.1 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56.6 | -41.2 | 178 | 178.9 | 62.7 | 0 | 0 | 0 | 111.3 | T134 S135 I137 T146 D150 L151 Y152 I202 Q205 K206 N209 | T134-L148 WeakPolarHBondContact O-CD2 3.42Å; S135-L148 PolarHBondContact O-N 3.14Å; I137-L148 HydrophobicContact CD1-CD1 3.78Å; I137-L148 HydrophobicContact CG1-CB 4.2Å; I137-L148 HydrophobicContact CG1-CD1 3.59Å; T146-L148 PolarHBondContact O-N 3.46Å; L148-D150 VanDerWaalsContact C-N 3.3Å; L148-D150 PolarHBondContact O-N 3.24Å; L148-L151 PolarHBondContact O-N 2.86Å; L148-Y152 HydrophobicContact CD1-CD2 4.12Å; L148-Y152 WeakPolarHBondContact O-CA 3.25Å; L148-Y152 WeakPolarHBondContact O-CB 3.44Å; L148-Y152 PolarHBondContact O-N 3.25Å; L148-I202 HydrophobicContact CD1-CG2 4.14Å; L148-Q205 HydrophobicContact CD2-CG 4.11Å; L148-K206 HydrophobicContact CD2-CB 4.34Å; L148-K206 HydrophobicContact CD2-CD 4.19Å; L148-N209 HydrophobicContact CD2-CB 3.95Å |
| 149 | E | 81.9 | Confident | 74.3 | Confident | 90 Ų | 90 | 56.4 Ų | 56.4 | 42% | 0.421 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -68.3 | -28.9 | -175.3 | -48.9 | -165 | 115.8 | 0 | 0 | 113.7 | R147 L151 K213 | R147-E149 PolarHBondContact O-N 3.4Å; E149-L151 VanDerWaalsContact C-N 3.29Å; E149-L151 PolarHBondContact O-N 3.05Å; E149-K213 IonicContact OE1-NZ 2.78Å; E149-K213 PolarHBondContact OE1-NZ 2.98Å; E149-K213 IonicContact OE2-NZ 2.77Å; E149-K213 PolarHBondContact OE2-NZ 3.47Å |
| 150 | D | 83.4 | Confident | 75.4 | Confident | 89 Ų | 89 | 56.2 Ų | 56.2 | 48% | 0.476 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -75.8 | -22.5 | -177.7 | -64.9 | -14.8 | 0 | 0 | 0 | 111.9 | R147 L148 | R147-D150 HydrophobicContact CB-CB 4.38Å; R147-D150 PolarHBondContact O-N 3.41Å; L148-D150 VanDerWaalsContact C-N 3.3Å; L148-D150 PolarHBondContact O-N 3.24Å |
| 151 | L | 85.1 | Confident | 77 | Confident | 9 Ų | 9 | 57 Ų | 57 | 5% | 0.047 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -124.5 | -15.4 | -173 | -73.6 | -170.8 | 0 | 0 | 0 | 115 | I137 T146 L148 E149 T153 Y353 L356 Q357 | I137-L151 HydrophobicContact CD1-CB 4.02Å; T146-L151 HydrophobicContact CG2-CD1 3.28Å; T146-L151 HydrophobicContact CG2-CG 3.62Å; L148-L151 PolarHBondContact O-N 2.86Å; E149-L151 VanDerWaalsContact C-N 3.29Å; E149-L151 PolarHBondContact O-N 3.05Å; L151-T153 PolarHBondContact O-N 3.44Å; L151-Y353 WeakPolarHBondContact O-CE2 3.47Å; L151-L356 HydrophobicContact CD2-CB 4.42Å; L151-Q357 HydrophobicContact CD2-CG 3.9Å; L151-Q357 VanDerWaalsContact CD2-NE2 3.34Å |
| 152 | Y | 87.8 | Confident | 78.3 | Confident | 34 Ų | 34 | 60.3 Ų | 60.3 | 13% | 0.133 | 29% | 0.293 | C | S | . | . | trans | -61.6 | 131.9 | -177.8 | 180 | -92 | 0 | 0 | 0 | 110.1 | L148 D154 I202 K206 | L148-Y152 HydrophobicContact CD1-CD2 4.12Å; L148-Y152 WeakPolarHBondContact O-CA 3.25Å; L148-Y152 WeakPolarHBondContact O-CB 3.44Å; L148-Y152 PolarHBondContact O-N 3.25Å; Y152-D154 WeakPolarHBondContact CE1-OD1 3.44Å; Y152-D154 PolarHBondContact OH-OD1 3.37Å; Y152-I202 HydrophobicContact CD2-CG2 3.92Å; Y152-I202 HydrophobicContact CE2-CG2 4.16Å; Y152-K206 HydrophobicContact CD1-CD 4.14Å; Y152-K206 HydrophobicContact CD1-CG 4.16Å; Y152-K206 HydrophobicContact CD2-CB 3.88Å; Y152-K206 HydrophobicContact CD2-CD 4.26Å; Y152-K206 HydrophobicContact CD2-CG 4Å; Y152-K206 HydrophobicContact CE1-CD 4.31Å; Y152-K206 HydrophobicContact CE1-CG 3.86Å; Y152-K206 HydrophobicContact CE2-CB 3.51Å; Y152-K206 HydrophobicContact CE2-CD 4.44Å; Y152-K206 HydrophobicContact CE2-CG 3.69Å; Y152-K206 HydrophobicContact CG-CD 4.12Å; Y152-K206 HydrophobicContact CG-CG 4.24Å | ||
| 153 | T | 88.6 | Confident | 79.3 | Confident | 15 Ų | 15 | 56.7 Ų | 56.7 | 9% | 0.092 | 29% | 0.288 | C | S | . | . | trans | -137.2 | 131.5 | 175 | -60.1 | 0 | 0 | 0 | 0 | 106.9 | L151 F345 H349 T352 | L151-T153 PolarHBondContact O-N 3.44Å; T153-F345 HydrophobicContact CG2-CD1 4.48Å; T153-F345 HydrophobicContact CG2-CE1 4.06Å; T153-H349 HydrophobicContact CG2-CB 4Å; T153-T352 HydrophobicContact CG2-CG2 4.45Å | ||
| 154 | D | 85.6 | Confident | 80.3 | Confident | 68 Ų | 68 | 51.6 Ų | 51.6 | 36% | 0.364 | 27% | 0.267 | S | S | . | . | trans | -60.8 | 144.8 | -179.7 | -69.5 | -57.3 | 0 | 0 | 0 | 111.6 | Y152 H349 | Y152-D154 WeakPolarHBondContact CE1-OD1 3.44Å; Y152-D154 PolarHBondContact OH-OD1 3.37Å; D154-H349 PolarHBondContact O-CE1 3.05Å; D154-H349 PolarHBondContact O-ND1 3.25Å | ||
| 155 | T | 86 | Confident | 81.1 | Confident | 13 Ų | 13 | 52.1 Ų | 52.1 | 8% | 0.08 | 27% | 0.266 | C | S | . | . | trans | -101.5 | 153.7 | 173.8 | 56.7 | 0 | 0 | 0 | 0 | 109 | M157 G344 F345 P384 | T155-M157 PolarHBondContact O-N 3.48Å; T155-M157 VanDerWaalsContact O-N 3.07Å; T155-G344 WeakPolarHBondContact CA-O 3.27Å; T155-F345 HydrophobicContact CG2-CD1 4.06Å; T155-F345 HydrophobicContact CG2-CE1 3.95Å; T155-P384 HydrophobicContact CG2-CG 3.88Å | ||
| 156 | V | 85.6 | Confident | 81.5 | Confident | 35 Ų | 35 | 48.5 Ų | 48.5 | 21% | 0.212 | 26% | 0.255 | C | S | . | . | trans | -66.4 | 113.2 | 177.2 | 178.3 | 0 | 0 | 0 | 0 | 108.4 | F169 R343 G344 | V156-F169 HydrophobicContact CG1-CD1 3.64Å; V156-F169 HydrophobicContact CG1-CE1 3.64Å; V156-R343 HydrophobicContact CB-CB 4.14Å; V156-R343 HydrophobicContact CG1-CB 4.3Å; V156-R343 HydrophobicContact CG1-CG 4.49Å; V156-R343 PolarHBondContact O-N 3.48Å; V156-G344 PolarHBondContact N-O 2.63Å | ||
| 157 | M | 88.7 | Confident | 81.6 | Confident | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.015 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 120.9 | 177 | -78.6 | 176.5 | -68.6 | 0 | 0 | 109.3 | T155 F169 I170 L173 L203 V340 L342 | T155-M157 PolarHBondContact O-N 3.48Å; T155-M157 VanDerWaalsContact O-N 3.07Å; M157-F169 CarbonylContact O-C 3.5Å; M157-F169 VanDerWaalsContact O-CA 3.31Å; M157-F169 WeakPolarHBondContact O-CA 3.4Å; M157-I170 HydrophobicContact CB-CB 3.78Å; M157-I170 HydrophobicContact CB-CD1 4.2Å; M157-I170 HydrophobicContact CB-CG1 4.12Å; M157-I170 HydrophobicContact CE-CB 4.38Å; M157-I170 HydrophobicContact CE-CG2 4.28Å; M157-I170 PolarHBondContact O-N 2.96Å; M157-L173 HydrophobicContact CE-CD2 3.97Å; M157-L173 HydrophobicContact SD-CD2 4.23Å; M157-L203 HydrophobicContact SD-CD1 4.15Å; M157-V340 HydrophobicContact CB-CG1 4.13Å; M157-V340 HydrophobicContact CG-CG1 4.29Å; M157-L342 HydrophobicContact CB-CD2 4.45Å; M157-L342 HydrophobicContact CG-CD2 3.32Å; M157-L342 HydrophobicContact SD-CD2 4.3Å |
| 158 | E | 85.9 | Confident | 81.5 | Confident | 18 Ų | 18 | 45.6 Ų | 45.6 | 8% | 0.084 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 134.3 | -178.9 | -171.4 | 179.1 | -164.3 | 0 | 0 | 110.5 | F160 S166 F169 V340 V341 R343 | E158-F160 HydrophobicContact CB-CE2 3.91Å; E158-F160 HydrophobicContact CG-CD2 4.28Å; E158-F160 HydrophobicContact CG-CE2 3.57Å; E158-F160 HydrophobicContact CG-CZ 4.11Å; E158-F160 WeakPolarHBondContact OE2-CE2 3.01Å; E158-F160 WeakPolarHBondContact OE2-CZ 3.42Å; E158-S166 WeakPolarHBondContact CG-OG 3.4Å; E158-S166 WeakPolarHBondContact OE1-CB 3.34Å; E158-S166 PolarHBondContact OE1-OG 3.35Å; E158-F169 HydrophobicContact CB-CD1 4.07Å; E158-F169 HydrophobicContact CB-CE1 4.06Å; E158-F169 HydrophobicContact CG-CD1 4.25Å; E158-F169 HydrophobicContact CG-CE1 4.02Å; E158-V340 CarbonylContact O-C 3.6Å; E158-V340 WeakPolarHBondContact O-CA 3.26Å; E158-V341 PolarHBondContact N-O 3.24Å; E158-V341 PolarHBondContact O-N 2.81Å; E158-R343 IonicContact OE2-CZ 3.76Å; E158-R343 IonicContact OE2-NE 3.09Å; E158-R343 PolarHBondContact OE2-NE 3.49Å; E158-R343 IonicContact OE2-NH2 2.72Å; E158-R343 PolarHBondContact OE2-NH2 2.85Å |
| 159 | L | 87.1 | Confident | 81.3 | Confident | 13 Ų | 13 | 51 Ų | 51 | 7% | 0.068 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 140.1 | 179.3 | -68.9 | 171.1 | 0 | 0 | 0 | 110.8 | S166 L167 G168 I170 K338 V340 | L159-S166 CarbonylContact O-C 3.57Å; L159-S166 WeakPolarHBondContact O-CA 3.33Å; L159-L167 HydrophobicContact CB-CB 3.84Å; L159-L167 PolarHBondContact O-N 2.97Å; L159-G168 PolarHBondContact N-O 3.5Å; L159-I170 HydrophobicContact CD1-CG1 4.05Å; L159-I170 HydrophobicContact CD2-CD1 3.57Å; L159-I170 HydrophobicContact CD2-CG1 3.73Å; L159-I170 HydrophobicContact CG-CD1 4.07Å; L159-I170 HydrophobicContact CG-CG1 3.64Å; L159-K338 HydrophobicContact CD2-CD 4.31Å; L159-K338 HydrophobicContact CD2-CG 4.24Å; L159-V340 HydrophobicContact CD2-CG2 4.05Å |
| 160 | F | 82.2 | Confident | 81.5 | Confident | 18 Ų | 18 | 47.3 Ų | 47.3 | 8% | 0.079 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 142.8 | 178 | -79.1 | -91.6 | 0 | 0 | 0 | 111.7 | E158 N164 E165 K339 V341 | E158-F160 HydrophobicContact CB-CE2 3.91Å; E158-F160 HydrophobicContact CG-CD2 4.28Å; E158-F160 HydrophobicContact CG-CE2 3.57Å; E158-F160 HydrophobicContact CG-CZ 4.11Å; E158-F160 WeakPolarHBondContact OE2-CE2 3.01Å; E158-F160 WeakPolarHBondContact OE2-CZ 3.42Å; F160-N164 VanDerWaalsContact CD1-C 3.46Å; F160-N164 HydrophobicContact CD1-CB 4.48Å; F160-N164 WeakPolarHBondContact CD1-O 3.41Å; F160-N164 WeakPolarHBondContact CE1-O 3.47Å; F160-E165 WeakPolarHBondContact CA-O 3.38Å; F160-K339 HydrophobicContact CB-CB 4.22Å; F160-K339 HydrophobicContact CB-CD 4.13Å; F160-K339 HydrophobicContact CB-CG 4.06Å; F160-K339 PolarHBondContact N-O 2.94Å; F160-V341 HydrophobicContact CD2-CB 3.98Å; F160-V341 HydrophobicContact CD2-CG2 3.42Å; F160-V341 VanDerWaalsContact CD2-CG2 3.42Å; F160-V341 HydrophobicContact CE2-CB 3.72Å; F160-V341 HydrophobicContact CE2-CG2 3.47Å; F160-V341 VanDerWaalsContact CE2-CG2 3.47Å; F160-V341 HydrophobicContact CG-CG2 4.32Å; F160-V341 HydrophobicContact CZ-CG2 4.41Å |
| 161 | N | 81 | Confident | 81.3 | Confident | 29 Ų | 29 | 51.3 Ų | 51.3 | 16% | 0.155 | 28% | 0.278 | C | S | . | . | trans | -83 | 178.4 | 166.6 | 72.2 | 8.3 | 0 | 0 | 0 | 111.3 | A163 N164 E165 L167 | N161-A163 PolarHBondContact O-N 3.48Å; N161-A163 WeakPolarHBondContact OD1-CA 3.43Å; N161-A163 WeakPolarHBondContact OD1-CB 3.47Å; N161-A163 PolarHBondContact OD1-N 3.28Å; N161-N164 PolarHBondContact O-N 2.66Å; N161-N164 PolarHBondContact OD1-N 2.95Å; N161-N164 VanDerWaalsContact OD1-N 3.14Å; N161-E165 PolarHBondContact N-O 3.22Å; N161-E165 PolarHBondContact ND2-OE2 3.24Å; N161-E165 WeakPolarHBondContact OD1-CB 3.3Å; N161-E165 PolarHBondContact OD1-N 3.39Å; N161-L167 HydrophobicContact CB-CD1 3.99Å; N161-L167 HydrophobicContact CB-CD2 4.15Å; N161-L167 HydrophobicContact CB-CG 4.12Å | ||
| 162 | D | 78.1 | Confident | 81.1 | Confident | 85 Ų | 85 | 52.9 Ų | 52.9 | 46% | 0.455 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -31.7 | 178.5 | -166.3 | 35.1 | 0 | 0 | 0 | 113 | N164 F183 S333 | D162-N164 PolarHBondContact O-N 3.43Å; D162-F183 HydrophobicContact CB-CD2 3.98Å; D162-F183 HydrophobicContact CB-CE2 3.95Å; D162-S333 WeakPolarHBondContact OD1-CB 3.44Å; D162-S333 PolarHBondContact OD1-OG 2.58Å |
| 163 | A | 69.6 | Low | 80.9 | Confident | 71 Ų | 71 | 51.8 Ų | 51.8 | 59% | 0.587 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | 7.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | N161 E165 | N161-A163 PolarHBondContact O-N 3.48Å; N161-A163 WeakPolarHBondContact OD1-CA 3.43Å; N161-A163 WeakPolarHBondContact OD1-CB 3.47Å; N161-A163 PolarHBondContact OD1-N 3.28Å; A163-E165 VanDerWaalsContact C-N 3.27Å; A163-E165 HydrophobicContact CB-CG 4.21Å; A163-E165 PolarHBondContact O-N 2.9Å |
| 164 | N | 68.6 | Low | 80.6 | Confident | 81 Ų | 81 | 53.9 Ų | 53.9 | 43% | 0.433 | 30% | 0.297 | S | S | . | . | S | Bend | trans | 59.5 | 32.3 | -174.5 | -60.6 | -52.7 | 0 | 0 | 0 | 114.3 | F160 N161 D162 K339 | F160-N164 VanDerWaalsContact CD1-C 3.46Å; F160-N164 HydrophobicContact CD1-CB 4.48Å; F160-N164 WeakPolarHBondContact CD1-O 3.41Å; F160-N164 WeakPolarHBondContact CE1-O 3.47Å; N161-N164 PolarHBondContact O-N 2.66Å; N161-N164 PolarHBondContact OD1-N 2.95Å; N161-N164 VanDerWaalsContact OD1-N 3.14Å; D162-N164 PolarHBondContact O-N 3.43Å; N164-K339 WeakPolarHBondContact OD1-CE 3.24Å; N164-K339 PolarHBondContact OD1-NZ 3.43Å |
| 165 | E | 70.2 | Confident | 80.6 | Confident | 121 Ų | 121 | 53.7 Ų | 53.7 | 57% | 0.565 | 29% | 0.294 | S | S | * | . | trans | -93.6 | 141.2 | 169.6 | -52.5 | 176.6 | 138.2 | 0 | 0 | 110.5 | F160 N161 A163 L167 | F160-E165 WeakPolarHBondContact CA-O 3.38Å; N161-E165 PolarHBondContact N-O 3.22Å; N161-E165 PolarHBondContact ND2-OE2 3.24Å; N161-E165 WeakPolarHBondContact OD1-CB 3.3Å; N161-E165 PolarHBondContact OD1-N 3.39Å; A163-E165 VanDerWaalsContact C-N 3.27Å; A163-E165 HydrophobicContact CB-CG 4.21Å; A163-E165 PolarHBondContact O-N 2.9Å; E165-L167 PolarHBondContact O-N 3.4Å | ||
| 166 | S | 73.1 | Confident | 80.6 | Confident | 52 Ų | 52 | 53.1 Ų | 53.1 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 125.2 | 179.2 | -178.9 | 0 | 0 | 0 | 0 | 111.3 | E158 L159 | E158-S166 WeakPolarHBondContact CG-OG 3.4Å; E158-S166 WeakPolarHBondContact OE1-CB 3.34Å; E158-S166 PolarHBondContact OE1-OG 3.35Å; L159-S166 CarbonylContact O-C 3.57Å; L159-S166 WeakPolarHBondContact O-CA 3.33Å |
| 167 | L | 77.2 | Confident | 80.6 | Confident | 86 Ų | 86 | 52.2 Ų | 52.2 | 45% | 0.45 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 0.9 | 175.6 | -63.4 | 177.2 | 0 | 0 | 0 | 112.7 | L159 N161 E165 | L159-L167 HydrophobicContact CB-CB 3.84Å; L159-L167 PolarHBondContact O-N 2.97Å; N161-L167 HydrophobicContact CB-CD1 3.99Å; N161-L167 HydrophobicContact CB-CD2 4.15Å; N161-L167 HydrophobicContact CB-CG 4.12Å; E165-L167 PolarHBondContact O-N 3.4Å |
| 168 | G | 79.9 | Confident | 80.3 | Confident | 27 Ų | 27 | 53.4 Ų | 53.4 | 28% | 0.278 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 115.3 | -168.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L159 | L159-G168 PolarHBondContact N-O 3.5Å |
| 169 | F | 82.6 | Confident | 80.2 | Confident | 114 Ų | 114 | 58.5 Ų | 58.5 | 50% | 0.5 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 145.5 | -174.2 | -61.4 | -80.9 | 0 | 0 | 0 | 111.9 | V156 M157 E158 | V156-F169 HydrophobicContact CG1-CD1 3.64Å; V156-F169 HydrophobicContact CG1-CE1 3.64Å; M157-F169 CarbonylContact O-C 3.5Å; M157-F169 VanDerWaalsContact O-CA 3.31Å; M157-F169 WeakPolarHBondContact O-CA 3.4Å; E158-F169 HydrophobicContact CB-CD1 4.07Å; E158-F169 HydrophobicContact CB-CE1 4.06Å; E158-F169 HydrophobicContact CG-CD1 4.25Å; E158-F169 HydrophobicContact CG-CE1 4.02Å |
| 170 | I | 84.8 | Confident | 79.9 | Confident | 12 Ų | 12 | 61.8 Ų | 61.8 | 6% | 0.062 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 129 | 171.5 | -50.4 | -176.6 | 0 | 0 | 0 | 108.5 | M157 L159 S172 Q175 L176 V340 | M157-I170 HydrophobicContact CB-CB 3.78Å; M157-I170 HydrophobicContact CB-CD1 4.2Å; M157-I170 HydrophobicContact CB-CG1 4.12Å; M157-I170 HydrophobicContact CE-CB 4.38Å; M157-I170 HydrophobicContact CE-CG2 4.28Å; M157-I170 PolarHBondContact O-N 2.96Å; L159-I170 HydrophobicContact CD1-CG1 4.05Å; L159-I170 HydrophobicContact CD2-CD1 3.57Å; L159-I170 HydrophobicContact CD2-CG1 3.73Å; L159-I170 HydrophobicContact CG-CD1 4.07Å; L159-I170 HydrophobicContact CG-CG1 3.64Å; I170-S172 WeakPolarHBondContact CG2-O 3.37Å; I170-Q175 HydrophobicContact CG2-CB 3.67Å; I170-L176 HydrophobicContact CD1-CD1 4.17Å; I170-V340 HydrophobicContact CD1-CG1 3.75Å; I170-V340 HydrophobicContact CD1-CG2 3.95Å |
| 171 | Q | 79.3 | Confident | 79.6 | Confident | 173 Ų | 173 | 62 Ų | 62 | 81% | 0.808 | 35% | 0.346 | S | S | * | . | trans | -100 | -26.6 | -179.4 | -64.9 | -174.4 | 0.3 | 0 | 0 | 113.4 | ||||
| 172 | S | 82.4 | Confident | 79.8 | Confident | 42 Ų | 42 | 62.4 Ų | 62.4 | 29% | 0.294 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -128.4 | 150 | 177.9 | 178.1 | 0 | 0 | 0 | 0 | 111.7 | I170 D174 Q175 | I170-S172 WeakPolarHBondContact CG2-O 3.37Å; S172-D174 PolarHBondContact O-N 2.6Å; S172-D174 PolarHBondContact OG-N 3.36Å; S172-D174 PolarHBondContact OG-OD2 3.29Å; S172-Q175 WeakPolarHBondContact O-CB 3.42Å; S172-Q175 PolarHBondContact O-N 2.88Å |
| 173 | L | 83.5 | Confident | 80.1 | Confident | 12 Ų | 12 | 61.1 Ų | 61.1 | 6% | 0.063 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -63 | -26.7 | 171.8 | -65.3 | 175.6 | 0 | 0 | 0 | 112.7 | M157 Q175 L176 L203 K206 L210 | M157-L173 HydrophobicContact CE-CD2 3.97Å; M157-L173 HydrophobicContact SD-CD2 4.23Å; L173-Q175 VanDerWaalsContact C-N 3.26Å; L173-Q175 PolarHBondContact O-N 2.85Å; L173-L176 WeakPolarHBondContact O-CB 3.49Å; L173-L176 PolarHBondContact O-N 2.96Å; L173-L203 HydrophobicContact CD2-CD1 3.26Å; L173-K206 HydrophobicContact CD1-CG 3.68Å; L173-L210 HydrophobicContact CD1-CD1 3.75Å |
| 174 | D | 81.7 | Confident | 80.8 | Confident | 59 Ų | 59 | 59 Ų | 59 | 32% | 0.316 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.3 | -35.6 | 176.5 | -56.1 | -61.4 | 0 | 0 | 0 | 111.4 | S172 L176 L177 G178 Q217 | S172-D174 PolarHBondContact O-N 2.6Å; S172-D174 PolarHBondContact OG-N 3.36Å; S172-D174 PolarHBondContact OG-OD2 3.29Å; D174-L176 PolarHBondContact O-N 2.95Å; D174-L177 PolarHBondContact O-N 3.28Å; D174-G178 PolarHBondContact O-N 3.12Å; D174-G178 VanDerWaalsContact O-N 3.14Å; D174-Q217 HydrophobicContact CB-CB 4.4Å; D174-Q217 PolarHBondContact OD1-N 3.27Å |
| 175 | Q | 84.6 | Confident | 81.5 | Confident | 64 Ų | 64 | 60.1 Ų | 60.1 | 30% | 0.299 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.5 | -17.8 | 175 | -65.8 | 174.4 | -12.7 | 0 | 0 | 112 | I170 S172 L173 G178 D180 K338 | I170-Q175 HydrophobicContact CG2-CB 3.67Å; S172-Q175 WeakPolarHBondContact O-CB 3.42Å; S172-Q175 PolarHBondContact O-N 2.88Å; L173-Q175 VanDerWaalsContact C-N 3.26Å; L173-Q175 PolarHBondContact O-N 2.85Å; Q175-G178 PolarHBondContact O-N 2.95Å; Q175-D180 WeakPolarHBondContact CG-OD2 3.46Å; Q175-K338 PolarHBondContact O-NZ 3.04Å |
| 176 | L | 86.8 | Confident | 82 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.6 | -44.6 | 175.4 | -174.3 | 62.8 | 0 | 0 | 0 | 110.7 | I170 L173 D174 I190 L203 K338 V340 | I170-L176 HydrophobicContact CD1-CD1 4.17Å; L173-L176 WeakPolarHBondContact O-CB 3.49Å; L173-L176 PolarHBondContact O-N 2.96Å; D174-L176 PolarHBondContact O-N 2.95Å; L176-I190 HydrophobicContact CD1-CG2 3.9Å; L176-I190 HydrophobicContact CG-CG2 4.37Å; L176-I190 WeakPolarHBondContact O-CD1 3.46Å; L176-L203 HydrophobicContact CD2-CD2 4.46Å; L176-K338 PolarHBondContact O-NZ 2.95Å; L176-V340 HydrophobicContact CD1-CB 4.46Å; L176-V340 HydrophobicContact CD1-CG1 4.45Å; L176-V340 HydrophobicContact CD1-CG2 3.77Å |
| 177 | L | 84.6 | Confident | 82.5 | Confident | 16 Ų | 16 | 60.7 Ų | 60.7 | 8% | 0.084 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -84.8 | -12.9 | 178.3 | -68.2 | 179.2 | 0 | 0 | 0 | 113.7 | D174 I190 L207 L216 I322 | D174-L177 PolarHBondContact O-N 3.28Å; L177-I190 HydrophobicContact CD2-CD1 3.85Å; L177-L207 HydrophobicContact CD1-CD1 4.26Å; L177-L216 HydrophobicContact CD1-CD1 4.27Å; L177-L216 HydrophobicContact CD1-CD2 3.85Å; L177-L216 HydrophobicContact CD1-CG 4.29Å; L177-I322 HydrophobicContact CD2-CD1 3.86Å; L177-I322 HydrophobicContact CD2-CG1 4.37Å |
| 178 | G | 83.9 | Confident | 82.8 | Confident | 27 Ų | 27 | 58.2 Ų | 58.2 | 28% | 0.278 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -74.9 | 178.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | D174 Q175 D180 | D174-G178 PolarHBondContact O-N 3.12Å; D174-G178 VanDerWaalsContact O-N 3.14Å; Q175-G178 PolarHBondContact O-N 2.95Å; G178-D180 VanDerWaalsContact C-N 3.27Å; G178-D180 PolarHBondContact O-N 3.05Å |
| 179 | E | 82.6 | Confident | 83.3 | Confident | 125 Ų | 125 | 56.9 Ų | 56.9 | 58% | 0.584 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -83.1 | 2.1 | -178.3 | -62.4 | -61.3 | 148.7 | 0 | 0 | 113.7 | G181 V182 K337 | E179-G181 PolarHBondContact O-N 3.42Å; E179-V182 WeakPolarHBondContact O-CG2 3.36Å; E179-V182 PolarHBondContact O-N 3.22Å; E179-K337 VanDerWaalsContact CD-NZ 3.31Å; E179-K337 IonicContact OE1-NZ 2.78Å; E179-K337 PolarHBondContact OE1-NZ 3.01Å; E179-K337 WeakPolarHBondContact OE2-CE 3.41Å; E179-K337 IonicContact OE2-NZ 3.74Å; E179-K337 PolarHBondContact OE2-NZ 3.15Å |
| 180 | D | 81.4 | Confident | 83.8 | Confident | 82 Ų | 82 | 52 Ų | 52 | 44% | 0.439 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 129.2 | 178.5 | -61.7 | -55.7 | 0 | 0 | 0 | 111.5 | Q175 G178 V182 K338 | Q175-D180 WeakPolarHBondContact CG-OD2 3.46Å; G178-D180 VanDerWaalsContact C-N 3.27Å; G178-D180 PolarHBondContact O-N 3.05Å; D180-V182 PolarHBondContact O-N 3.27Å; D180-K338 WeakPolarHBondContact O-CD 3.47Å; D180-K338 WeakPolarHBondContact O-CE 3.42Å; D180-K338 PolarHBondContact O-NZ 2.75Å |
| 181 | G | 75.4 | Confident | 84.2 | Confident | 24 Ų | 24 | 51.5 Ų | 51.5 | 25% | 0.247 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 18.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | E179 F183 | E179-G181 PolarHBondContact O-N 3.42Å; G181-F183 PolarHBondContact O-N 3.11Å |
| 182 | V | 84.8 | Confident | 84.8 | Confident | 37 Ų | 37 | 43.3 Ų | 43.3 | 22% | 0.224 | 24% | 0.239 | C | C | . | . | trans | -72 | 118.8 | 172 | 172.6 | 0 | 0 | 0 | 0 | 109.3 | E179 D180 P185 K337 | E179-V182 WeakPolarHBondContact O-CG2 3.36Å; E179-V182 PolarHBondContact O-N 3.22Å; D180-V182 PolarHBondContact O-N 3.27Å; V182-P185 HydrophobicContact CG1-CG 4.29Å; V182-K337 HydrophobicContact CG1-CG 3.84Å; V182-K337 HydrophobicContact CG2-CD 4.42Å; V182-K337 HydrophobicContact CG2-CG 4.18Å | ||
| 183 | F | 85.4 | Confident | 85.1 | Confident | 57 Ų | 57 | 42 Ų | 42 | 25% | 0.25 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -104.4 | -19.8 | 176.5 | 65.3 | -97.6 | 0 | 0 | 0 | 112.7 | D162 G181 I336 K337 K339 | D162-F183 HydrophobicContact CB-CD2 3.98Å; D162-F183 HydrophobicContact CB-CE2 3.95Å; G181-F183 PolarHBondContact O-N 3.11Å; F183-I336 HydrophobicContact CE1-CG2 4.13Å; F183-I336 HydrophobicContact CZ-CB 4.1Å; F183-I336 HydrophobicContact CZ-CG2 3.65Å; F183-K337 PolarHBondContact N-O 3.19Å; F183-K339 HydrophobicContact CE1-CB 3.87Å |
| 184 | N | 84.4 | Confident | 85 | Confident | 27 Ų | 27 | 41.4 Ų | 41.4 | 14% | 0.144 | 23% | 0.226 | C | C | . | . | trans | -133.7 | 94.3 | 177.9 | 172.4 | 15.6 | 0 | 0 | 0 | 110.1 | Q186 G187 S333 R334 I336 K337 | N184-Q186 PolarHBondContact O-N 3Å; N184-Q186 VanDerWaalsContact O-N 3.14Å; N184-Q186 WeakPolarHBondContact OD1-CB 3.5Å; N184-Q186 PolarHBondContact OD1-N 3.16Å; N184-Q186 VanDerWaalsContact OD1-N 3.09Å; N184-G187 PolarHBondContact O-N 2.86Å; N184-G187 VanDerWaalsContact O-N 3.09Å; N184-G187 PolarHBondContact OD1-N 2.93Å; N184-S333 PolarHBondContact ND2-O 3.41Å; N184-S333 VanDerWaalsContact ND2-O 3.07Å; N184-R334 PolarHBondContact ND2-O 3.15Å; N184-I336 VanDerWaalsContact CB-O 3.28Å; N184-I336 WeakPolarHBondContact CB-O 3.22Å; N184-I336 PolarHBondContact ND2-O 2.9Å; N184-I336 VanDerWaalsContact ND2-O 3.14Å; N184-K337 PolarHBondContact N-O 3.24Å; N184-K337 WeakPolarHBondContact O-CA 3.3Å; N184-K337 WeakPolarHBondContact O-CG 3.3Å | ||
| 185 | P | 83.4 | Confident | 84.8 | Confident | 105 Ų | 105 | 40 Ų | 40 | 68% | 0.682 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -18.5 | -179.8 | -23.2 | 34 | 0 | 0 | 0 | 114.6 | V182 | V182-P185 HydrophobicContact CG1-CG 4.29Š|
| 186 | Q | 81.3 | Confident | 84.5 | Confident | 179 Ų | 179 | 37.7 Ų | 37.7 | 84% | 0.836 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -17.2 | 178.3 | -59.3 | -178.1 | -3.5 | 0 | 0 | 112.5 | N184 | N184-Q186 PolarHBondContact O-N 3Å; N184-Q186 VanDerWaalsContact O-N 3.14Å; N184-Q186 WeakPolarHBondContact OD1-CB 3.5Å; N184-Q186 PolarHBondContact OD1-N 3.16Å; N184-Q186 VanDerWaalsContact OD1-N 3.09Å |
| 187 | G | 82.3 | Confident | 84.1 | Confident | 6 Ų | 6 | 38.2 Ų | 38.2 | 6% | 0.062 | 22% | 0.216 | C | C | . | . | trans | -72 | 152.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | N184 V335 K337 | N184-G187 PolarHBondContact O-N 2.86Å; N184-G187 VanDerWaalsContact O-N 3.09Å; N184-G187 PolarHBondContact OD1-N 2.93Å; G187-V335 WeakPolarHBondContact CA-O 3.41Å; G187-K337 VanDerWaalsContact O-CB 3.3Å; G187-K337 WeakPolarHBondContact O-CB 3.24Å; G187-K337 WeakPolarHBondContact O-CG 3.49Å | ||
| 188 | E | 83.4 | Confident | 84.2 | Confident | 33 Ų | 33 | 37.8 Ų | 37.8 | 15% | 0.154 | 21% | 0.214 | C | C | . | . | trans | -115 | -10.3 | -179.6 | -59.8 | -173.7 | 152.3 | 0 | 0 | 112.5 | G313 K317 G318 K321 V335 | E188-G313 WeakPolarHBondContact OE2-CA 3.28Å; E188-K317 WeakPolarHBondContact OE1-CA 3.46Å; E188-K317 VanDerWaalsContact OE1-CG 3.25Å; E188-K317 WeakPolarHBondContact OE1-CG 3.38Å; E188-G318 PolarHBondContact OE1-N 2.93Å; E188-K321 HydrophobicContact CB-CD 3.9Å; E188-K321 PolarHBondContact O-N 3.43Å; E188-K321 IonicContact OE2-NZ 3.64Å; E188-K321 PolarHBondContact OE2-NZ 3.44Å; E188-V335 PolarHBondContact N-O 3.21Å | ||
| 189 | I | 90.4 | Very high | 84.4 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 125.2 | -174.5 | -56.6 | 173.8 | 0 | 0 | 0 | 111 | L311 K321 L323 L331 V335 I336 K337 K338 | I189-L311 HydrophobicContact CD1-CB 4.05Å; I189-L311 HydrophobicContact CD1-CD2 4.05Å; I189-L311 WeakPolarHBondContact CD1-O 3.43Å; I189-L311 HydrophobicContact CG1-CD2 4.45Å; I189-K321 CarbonylContact C-O 3.48Å; I189-K321 WeakPolarHBondContact CA-O 3.38Å; I189-K321 HydrophobicContact CG1-CB 4.33Å; I189-L323 HydrophobicContact CG2-CB 3.72Å; I189-L323 HydrophobicContact CG2-CD2 4.41Å; I189-L331 HydrophobicContact CD1-CD2 3.81Å; I189-V335 HydrophobicContact CD1-CB 3.98Å; I189-V335 HydrophobicContact CD1-CG2 3.8Å; I189-V335 PolarHBondContact N-O 3.22Å; I189-V335 VanDerWaalsContact N-O 3.15Å; I189-I336 CarbonylContact O-C 3.28Å; I189-K337 PolarHBondContact O-N 3.29Å; I189-K338 PolarHBondContact O-N 3.02Å |
| 190 | I | 93.4 | Very high | 84.7 | Confident | 11 Ų | 11 | 32.3 Ų | 32.3 | 6% | 0.056 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 108.9 | 160.4 | -60.3 | 163.9 | 0 | 0 | 0 | 107 | L176 L177 V192 K321 I322 L323 V340 | L176-I190 HydrophobicContact CD1-CG2 3.9Å; L176-I190 HydrophobicContact CG-CG2 4.37Å; L176-I190 WeakPolarHBondContact O-CD1 3.46Å; L177-I190 HydrophobicContact CD2-CD1 3.85Å; I190-V192 HydrophobicContact CG2-CG2 4.27Å; I190-K321 PolarHBondContact N-O 3.48Å; I190-I322 HydrophobicContact CB-CG1 4.43Å; I190-I322 HydrophobicContact CD1-CG1 4.31Å; I190-I322 WeakPolarHBondContact O-CA 3.26Å; I190-L323 PolarHBondContact O-N 2.98Å; I190-V340 HydrophobicContact CG2-CG2 4.4Å |
| 191 | Y | 92.9 | Very high | 85.1 | Confident | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 109.5 | -174 | -165.9 | -118.3 | 0 | 0 | 0 | 110.8 | M193 L323 T325 I329 L331 I336 K338 K339 V340 | Y191-M193 HydrophobicContact CD1-CG 3.61Å; Y191-M193 HydrophobicContact CD1-SD 3.77Å; Y191-M193 HydrophobicContact CE1-CG 3.42Å; Y191-M193 VanDerWaalsContact CE1-CG 3.42Å; Y191-M193 HydrophobicContact CE1-SD 3.48Å; Y191-M193 WeakPolarHBondContact CE1-SD 3.33Å; Y191-L323 HydrophobicContact CD2-CB 4.34Å; Y191-L323 HydrophobicContact CD2-CD2 3.99Å; Y191-L323 HydrophobicContact CD2-CG 4.37Å; Y191-L323 HydrophobicContact CE2-CD2 3.88Å; Y191-L323 HydrophobicContact CE2-CG 4.4Å; Y191-T325 HydrophobicContact CD2-CG2 4.4Å; Y191-T325 HydrophobicContact CE1-CG2 3.78Å; Y191-T325 HydrophobicContact CE2-CG2 3.57Å; Y191-T325 WeakPolarHBondContact OH-CG2 3.27Å; Y191-I329 PolarHBondContact OH-O 2.86Å; Y191-L331 HydrophobicContact CD2-CB 4.49Å; Y191-L331 HydrophobicContact CD2-CD2 4.12Å; Y191-L331 HydrophobicContact CE2-CB 3.89Å; Y191-L331 HydrophobicContact CE2-CD2 4.05Å; Y191-I336 HydrophobicContact CD1-CD1 4.18Å; Y191-I336 HydrophobicContact CG-CD1 4.18Å; Y191-K338 PolarHBondContact N-O 2.91Å; Y191-K339 HydrophobicContact CD1-CG 4.39Å; Y191-K339 WeakPolarHBondContact O-CA 3.31Å; Y191-V340 PolarHBondContact O-N 3.37Å |
| 192 | V | 93.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 113.3 | -177.5 | -176.7 | 0 | 0 | 0 | 0 | 109.8 | I190 L203 I322 L323 T324 T325 V340 L342 | I190-V192 HydrophobicContact CG2-CG2 4.27Å; V192-L203 HydrophobicContact CG1-CD2 4.13Å; V192-I322 HydrophobicContact CG2-CG2 3.93Å; V192-L323 PolarHBondContact N-O 3.34Å; V192-T324 HydrophobicContact CB-CG2 4.18Å; V192-T324 HydrophobicContact CG1-CG2 4.47Å; V192-T324 CarbonylContact O-C 3.58Å; V192-T324 VanDerWaalsContact O-CA 3.27Å; V192-T324 WeakPolarHBondContact O-CA 3.42Å; V192-T325 PolarHBondContact O-N 3.4Å; V192-V340 CarbonylContact C-O 3.41Å; V192-V340 WeakPolarHBondContact CA-O 3.5Å; V192-V340 HydrophobicContact CG2-CB 4.42Å; V192-L342 HydrophobicContact CG1-CD1 3.92Å; V192-L342 HydrophobicContact CG1-CG 3.92Å |
| 193 | M | 88.4 | Confident | 86.2 | Confident | 14 Ų | 14 | 31.3 Ų | 31.3 | 7% | 0.069 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 153.7 | 178.2 | -49.9 | 166.8 | -56.2 | 0 | 0 | 110.7 | Y191 T325 T327 K339 V340 V341 L342 | Y191-M193 HydrophobicContact CD1-CG 3.61Å; Y191-M193 HydrophobicContact CD1-SD 3.77Å; Y191-M193 HydrophobicContact CE1-CG 3.42Å; Y191-M193 VanDerWaalsContact CE1-CG 3.42Å; Y191-M193 HydrophobicContact CE1-SD 3.48Å; Y191-M193 WeakPolarHBondContact CE1-SD 3.33Å; M193-T325 WeakPolarHBondContact CA-O 3.2Å; M193-T325 HydrophobicContact CB-CG2 4.28Å; M193-T325 HydrophobicContact CG-CG2 3.72Å; M193-T327 HydrophobicContact CB-CG2 4.43Å; M193-K339 HydrophobicContact CE-CD 3.98Å; M193-K339 HydrophobicContact CE-CG 3.65Å; M193-K339 HydrophobicContact SD-CD 4.46Å; M193-K339 WeakPolarHBondContact SD-CE 3.44Å; M193-K339 HydrophobicContact SD-CG 4.37Å; M193-V340 PolarHBondContact N-O 3.43Å; M193-V341 HydrophobicContact CE-CG2 3.21Å; M193-V341 CarbonylContact O-C 3.58Å; M193-V341 WeakPolarHBondContact O-CA 3.49Å; M193-L342 PolarHBondContact O-N 3.05Å |
| 194 | G | 81.9 | Confident | 86.5 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.6 | 160.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112 | K200 T325 R326 | G194-K200 PolarHBondContact O-NZ 3.13Å; G194-T325 PolarHBondContact N-O 3.22Å; G194-R326 WeakPolarHBondContact O-CA 3.43Å |
| 195 | D | 76.6 | Confident | 86.9 | Confident | 31 Ų | 31 | 29 Ų | 29 | 17% | 0.166 | 17% | 0.166 | C | C | . | . | trans | -70.1 | 168.9 | -177.2 | -63.1 | -22.3 | 0 | 0 | 0 | 112.1 | G197 V198 K200 T327 N675 Y677 | D195-G197 PolarHBondContact O-N 3.17Å; D195-V198 WeakPolarHBondContact O-CB 3.33Å; D195-V198 VanDerWaalsContact O-CG1 3.26Å; D195-V198 WeakPolarHBondContact O-CG1 3.48Å; D195-V198 PolarHBondContact O-N 3.4Å; D195-K200 PolarHBondContact O-NZ 3.33Å; D195-T327 WeakPolarHBondContact OD1-CB 3.45Å; D195-T327 VanDerWaalsContact OD1-CG2 3.24Å; D195-T327 WeakPolarHBondContact OD1-CG2 3.21Å; D195-T327 PolarHBondContact OD1-OG1 2.84Å; D195-N675 PolarHBondContact OD1-ND2 3.01Å; D195-N675 VanDerWaalsContact OD1-ND2 3.16Å; D195-N675 PolarHBondContact OD2-ND2 2.89Å; D195-Y677 WeakPolarHBondContact OD2-CE2 3.46Å; D195-Y677 PolarHBondContact OD2-OH 3.36Å | ||
| 196 | A | 78.7 | Confident | 87.3 | Confident | 14 Ų | 14 | 25.2 Ų | 25.2 | 12% | 0.116 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 133.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | V198 T513 | A196-V198 VanDerWaalsContact C-N 3.28Å; A196-V198 PolarHBondContact O-N 3.26Å; A196-T513 HydrophobicContact CB-CG2 4.37Å |
| 197 | G | 79.1 | Confident | 87.8 | Confident | 13 Ų | 13 | 16.8 Ų | 16.8 | 13% | 0.134 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | 3.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | D195 G199 T383 L385 | D195-G197 PolarHBondContact O-N 3.17Å; G197-G199 PolarHBondContact O-N 3.31Å; G197-T383 WeakPolarHBondContact O-CG2 3.44Å; G197-L385 WeakPolarHBondContact O-CB 3.24Å; G197-L385 PolarHBondContact O-N 2.94Å; G197-L385 VanDerWaalsContact O-N 3.11Å |
| 198 | V | 85.3 | Confident | 88.3 | Confident | 6 Ų | 6 | 17.3 Ų | 17.3 | 4% | 0.036 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -71.2 | -13.2 | -179.9 | 81.1 | 0 | 0 | 0 | 0 | 114.1 | D195 A196 K200 L342 G344 P384 | D195-V198 WeakPolarHBondContact O-CB 3.33Å; D195-V198 VanDerWaalsContact O-CG1 3.26Å; D195-V198 WeakPolarHBondContact O-CG1 3.48Å; D195-V198 PolarHBondContact O-N 3.4Å; A196-V198 VanDerWaalsContact C-N 3.28Å; A196-V198 PolarHBondContact O-N 3.26Å; V198-K200 HydrophobicContact CG1-CG 3.92Å; V198-L342 HydrophobicContact CG1-CB 3.75Å; V198-L342 HydrophobicContact CG1-CD1 4.19Å; V198-L342 HydrophobicContact CG2-CB 4.1Å; V198-G344 VanDerWaalsContact CG2-CA 3.48Å; V198-P384 WeakPolarHBondContact O-CG 3.47Å |
| 199 | G | 87.8 | Confident | 88.7 | Confident | 16 Ų | 16 | 15.8 Ų | 15.8 | 17% | 0.165 | 9% | 0.093 | C | C | . | . | S | Bend | trans | 106 | 17.9 | 178 | 0 | 0 | 0 | 0 | 0 | 116 | G197 S201 I202 L203 | G197-G199 PolarHBondContact O-N 3.31Å; G199-S201 PolarHBondContact O-N 3.23Å; G199-I202 PolarHBondContact O-N 3.36Å; G199-L203 WeakPolarHBondContact O-CB 3.43Å; G199-L203 PolarHBondContact O-N 3.42Å |
| 200 | K | 90.1 | Very high | 88.8 | Confident | 21 Ų | 21 | 16.9 Ų | 16.9 | 9% | 0.091 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -50.6 | -52.4 | 176.8 | -67 | -176.2 | -58.3 | -81.2 | 0 | 113.2 | G194 D195 V198 I202 L203 L204 T324 T325 L342 | G194-K200 PolarHBondContact O-NZ 3.13Å; D195-K200 PolarHBondContact O-NZ 3.33Å; V198-K200 HydrophobicContact CG1-CG 3.92Å; K200-I202 PolarHBondContact O-N 3.1Å; K200-L203 WeakPolarHBondContact O-CB 3.44Å; K200-L203 PolarHBondContact O-N 3.21Å; K200-L204 PolarHBondContact O-N 3.39Å; K200-T324 HydrophobicContact CB-CG2 4.2Å; K200-T325 WeakPolarHBondContact CD-O 3.19Å; K200-T325 WeakPolarHBondContact CE-O 3.36Å; K200-L342 HydrophobicContact CB-CD1 4.32Å; K200-L342 HydrophobicContact CG-CD1 3.74Å |
| 201 | S | 88.5 | Confident | 88.7 | Confident | 61 Ų | 61 | 16.6 Ų | 16.6 | 43% | 0.427 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -66.1 | -37.8 | 179.6 | -49.1 | 0 | 0 | 0 | 0 | 112.5 | G199 L203 L204 Q205 D277 | G199-S201 PolarHBondContact O-N 3.23Å; S201-L203 VanDerWaalsContact C-N 3.33Å; S201-L203 PolarHBondContact O-N 3.36Å; S201-L204 PolarHBondContact O-N 3.45Å; S201-Q205 WeakPolarHBondContact O-CB 3.39Å; S201-Q205 PolarHBondContact O-N 3.48Å; S201-D277 WeakPolarHBondContact CB-OD2 3.23Å; S201-D277 PolarHBondContact OG-OD1 2.88Å; S201-D277 PolarHBondContact OG-OD2 3.33Å |
| 202 | I | 90.4 | Very high | 88.6 | Confident | 57 Ų | 57 | 17 Ų | 17 | 29% | 0.292 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -67.5 | -34.6 | 177.7 | -59.7 | -61.1 | 0 | 0 | 0 | 111.2 | I137 L148 Y152 G199 K200 Q205 K206 | I137-I202 HydrophobicContact CG2-CD1 4.49Å; L148-I202 HydrophobicContact CD1-CG2 4.14Å; Y152-I202 HydrophobicContact CD2-CG2 3.92Å; Y152-I202 HydrophobicContact CE2-CG2 4.16Å; G199-I202 PolarHBondContact O-N 3.36Å; K200-I202 PolarHBondContact O-N 3.1Å; I202-Q205 PolarHBondContact O-N 3.28Å; I202-K206 WeakPolarHBondContact O-CB 3.38Å; I202-K206 PolarHBondContact O-N 2.78Å |
| 203 | L | 92.8 | Very high | 88.4 | Confident | 4 Ų | 4 | 20.4 Ų | 20.4 | 2% | 0.021 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.2 | -49.5 | 172.6 | 177.5 | 72.6 | 0 | 0 | 0 | 111.1 | M157 L173 L176 V192 G199 K200 S201 Q205 K206 L207 L342 | M157-L203 HydrophobicContact SD-CD1 4.15Å; L173-L203 HydrophobicContact CD2-CD1 3.26Å; L176-L203 HydrophobicContact CD2-CD2 4.46Å; V192-L203 HydrophobicContact CG1-CD2 4.13Å; G199-L203 WeakPolarHBondContact O-CB 3.43Å; G199-L203 PolarHBondContact O-N 3.42Å; K200-L203 WeakPolarHBondContact O-CB 3.44Å; K200-L203 PolarHBondContact O-N 3.21Å; S201-L203 VanDerWaalsContact C-N 3.33Å; S201-L203 PolarHBondContact O-N 3.36Å; L203-Q205 VanDerWaalsContact C-N 3.33Å; L203-Q205 PolarHBondContact O-N 2.94Å; L203-K206 PolarHBondContact O-N 3.43Å; L203-L207 PolarHBondContact O-N 3.28Å; L203-L342 HydrophobicContact CD2-CD1 3.94Å; L203-L342 HydrophobicContact CD2-CD2 4.05Å; L203-L342 HydrophobicContact CD2-CG 4.48Å |
| 204 | L | 92.9 | Very high | 88.3 | Confident | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62 | -42.8 | 176.5 | -61.8 | -174.6 | 0 | 0 | 0 | 111.3 | K200 S201 K206 L207 Q208 T275 D277 I322 T324 | K200-L204 PolarHBondContact O-N 3.39Å; S201-L204 PolarHBondContact O-N 3.45Å; L204-K206 VanDerWaalsContact C-N 3.33Å; L204-K206 PolarHBondContact O-N 2.95Å; L204-L207 WeakPolarHBondContact O-CB 3.47Å; L204-L207 PolarHBondContact O-N 3.15Å; L204-Q208 WeakPolarHBondContact O-CB 3.42Å; L204-Q208 WeakPolarHBondContact O-CG 3.21Å; L204-Q208 PolarHBondContact O-N 2.93Å; L204-T275 HydrophobicContact CD2-CG2 4.07Å; L204-D277 HydrophobicContact CD1-CB 3.69Å; L204-I322 HydrophobicContact CD2-CB 4.34Å; L204-I322 HydrophobicContact CD2-CG2 3.71Å; L204-T324 HydrophobicContact CD1-CG2 3.59Å; L204-T324 HydrophobicContact CD2-CG2 3.86Å; L204-T324 HydrophobicContact CG-CG2 3.72Å |
| 205 | Q | 91.4 | Very high | 88.6 | Confident | 33 Ų | 33 | 29.8 Ų | 29.8 | 15% | 0.154 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.9 | -41.9 | 176.3 | -172.5 | -178.3 | -7.6 | 0 | 0 | 111.6 | T134 F136 L148 S201 I202 L203 Q208 N209 | T134-Q205 HydrophobicContact CG2-CG 4.11Å; T134-Q205 PolarHBondContact O-NE2 3.48Å; F136-Q205 PolarHBondContact O-NE2 3.2Å; L148-Q205 HydrophobicContact CD2-CG 4.11Å; S201-Q205 WeakPolarHBondContact O-CB 3.39Å; S201-Q205 PolarHBondContact O-N 3.48Å; I202-Q205 PolarHBondContact O-N 3.28Å; L203-Q205 VanDerWaalsContact C-N 3.33Å; L203-Q205 PolarHBondContact O-N 2.94Å; Q205-Q208 PolarHBondContact O-N 3.06Å; Q205-N209 VanDerWaalsContact O-CB 3.31Å; Q205-N209 WeakPolarHBondContact O-CB 3.46Å; Q205-N209 PolarHBondContact O-N 2.93Å |
| 206 | K | 92.7 | Very high | 89.1 | Confident | 24 Ų | 24 | 28.9 Ų | 28.9 | 10% | 0.104 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.2 | -41 | 175.6 | -179.6 | 61 | 179.2 | 169.5 | 0 | 111.9 | L148 Y152 L173 I202 L203 L204 N209 L210 | L148-K206 HydrophobicContact CD2-CB 4.34Å; L148-K206 HydrophobicContact CD2-CD 4.19Å; Y152-K206 HydrophobicContact CD1-CD 4.14Å; Y152-K206 HydrophobicContact CD1-CG 4.16Å; Y152-K206 HydrophobicContact CD2-CB 3.88Å; Y152-K206 HydrophobicContact CD2-CD 4.26Å; Y152-K206 HydrophobicContact CD2-CG 4Å; Y152-K206 HydrophobicContact CE1-CD 4.31Å; Y152-K206 HydrophobicContact CE1-CG 3.86Å; Y152-K206 HydrophobicContact CE2-CB 3.51Å; Y152-K206 HydrophobicContact CE2-CD 4.44Å; Y152-K206 HydrophobicContact CE2-CG 3.69Å; Y152-K206 HydrophobicContact CG-CD 4.12Å; Y152-K206 HydrophobicContact CG-CG 4.24Å; L173-K206 HydrophobicContact CD1-CG 3.68Å; I202-K206 WeakPolarHBondContact O-CB 3.38Å; I202-K206 PolarHBondContact O-N 2.78Å; L203-K206 PolarHBondContact O-N 3.43Å; L204-K206 VanDerWaalsContact C-N 3.33Å; L204-K206 PolarHBondContact O-N 2.95Å; K206-N209 WeakPolarHBondContact O-CB 3.36Å; K206-N209 PolarHBondContact O-N 3.5Å; K206-L210 HydrophobicContact CD-CG 4.29Å; K206-L210 HydrophobicContact CG-CD1 4.3Å; K206-L210 HydrophobicContact CG-CG 4.5Å; K206-L210 WeakPolarHBondContact O-CG 3.38Å; K206-L210 PolarHBondContact O-N 3.4Å |
| 207 | L | 92.5 | Very high | 89.4 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.6 | -46.3 | 176.7 | -171.7 | 72.1 | 0 | 0 | 0 | 111.7 | L177 L203 L204 N209 L210 W211 L216 F223 I322 | L177-L207 HydrophobicContact CD1-CD1 4.26Å; L203-L207 PolarHBondContact O-N 3.28Å; L204-L207 WeakPolarHBondContact O-CB 3.47Å; L204-L207 PolarHBondContact O-N 3.15Å; L207-N209 VanDerWaalsContact C-N 3.29Å; L207-N209 PolarHBondContact O-N 3.15Å; L207-L210 PolarHBondContact O-N 3.4Å; L207-W211 PolarHBondContact O-N 3.36Å; L207-L216 HydrophobicContact CD1-CD1 3.52Å; L207-L216 HydrophobicContact CD1-CD2 3.71Å; L207-L216 HydrophobicContact CD1-CG 4.28Å; L207-L216 HydrophobicContact CG-CD2 4.11Å; L207-F223 HydrophobicContact CD2-CE2 4.4Å; L207-F223 HydrophobicContact CD2-CZ 4.02Å; L207-F223 HydrophobicContact CG-CE2 4.37Å; L207-F223 HydrophobicContact CG-CZ 4.21Å; L207-I322 HydrophobicContact CD2-CD1 3.17Å |
| 208 | Q | 92.2 | Very high | 89.6 | Confident | 18 Ų | 18 | 36.3 Ų | 36.3 | 8% | 0.084 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.2 | -40.3 | 174.7 | -69.4 | 159.6 | 11.3 | 0 | 0 | 111.3 | M130 T134 L204 Q205 W211 S212 F223 T275 | M130-Q208 HydrophobicContact CG-CB 4.05Å; M130-Q208 HydrophobicContact SD-CB 3.79Å; M130-Q208 HydrophobicContact SD-CG 4.03Å; T134-Q208 HydrophobicContact CG2-CB 3.64Å; L204-Q208 WeakPolarHBondContact O-CB 3.42Å; L204-Q208 WeakPolarHBondContact O-CG 3.21Å; L204-Q208 PolarHBondContact O-N 2.93Å; Q205-Q208 PolarHBondContact O-N 3.06Å; Q208-W211 PolarHBondContact O-N 3.29Å; Q208-S212 PolarHBondContact O-N 2.96Å; Q208-F223 HydrophobicContact CB-CE1 4.4Å; Q208-F223 HydrophobicContact CG-CD1 4.02Å; Q208-F223 HydrophobicContact CG-CE1 3.37Å; Q208-F223 HydrophobicContact CG-CZ 3.89Å; Q208-T275 PolarHBondContact NE2-OG1 3.18Å |
| 209 | N | 92.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.1 | -47.9 | 176.8 | -170.3 | -107.3 | 0 | 0 | 0 | 112.2 | T134 L148 Q205 K206 L207 W211 S212 K213 | T134-N209 WeakPolarHBondContact OG1-CA 3.31Å; T134-N209 WeakPolarHBondContact OG1-CB 3.41Å; T134-N209 PolarHBondContact OG1-ND2 3.34Å; L148-N209 HydrophobicContact CD2-CB 3.95Å; Q205-N209 VanDerWaalsContact O-CB 3.31Å; Q205-N209 WeakPolarHBondContact O-CB 3.46Å; Q205-N209 PolarHBondContact O-N 2.93Å; K206-N209 WeakPolarHBondContact O-CB 3.36Å; K206-N209 PolarHBondContact O-N 3.5Å; L207-N209 VanDerWaalsContact C-N 3.29Å; L207-N209 PolarHBondContact O-N 3.15Å; N209-W211 VanDerWaalsContact C-N 3.3Å; N209-W211 PolarHBondContact O-N 3.07Å; N209-S212 PolarHBondContact O-N 3.1Å; N209-S212 PolarHBondContact O-OG 3.1Å; N209-K213 WeakPolarHBondContact O-CG 3.4Å; N209-K213 PolarHBondContact O-N 3.45Å; N209-K213 VanDerWaalsContact O-N 3.12Å |
| 210 | L | 91.5 | Very high | 89.4 | Confident | 22 Ų | 22 | 39.1 Ų | 39.1 | 12% | 0.115 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60 | -39.4 | 176.3 | -70.5 | 172.5 | 0 | 0 | 0 | 112 | L173 K206 L207 K213 R214 E215 L216 | L173-L210 HydrophobicContact CD1-CD1 3.75Å; K206-L210 HydrophobicContact CD-CG 4.29Å; K206-L210 HydrophobicContact CG-CD1 4.3Å; K206-L210 HydrophobicContact CG-CG 4.5Å; K206-L210 WeakPolarHBondContact O-CG 3.38Å; K206-L210 PolarHBondContact O-N 3.4Å; L207-L210 PolarHBondContact O-N 3.4Å; L210-K213 PolarHBondContact O-N 3.26Å; L210-R214 PolarHBondContact O-N 2.94Å; L210-E215 HydrophobicContact CD2-CB 3.93Å; L210-E215 WeakPolarHBondContact CD2-OE2 3.38Å; L210-E215 PolarHBondContact O-N 3.08Å; L210-L216 HydrophobicContact CB-CB 3.95Å; L210-L216 PolarHBondContact O-N 2.98Å |
| 211 | W | 91.9 | Very high | 89.2 | Confident | 5 Ų | 5 | 40 Ų | 40 | 2% | 0.019 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.6 | -44.7 | 174.7 | 177.8 | 81.6 | 0 | 0 | 0 | 111.8 | Q126 R127 M130 L207 Q208 N209 K213 R214 L216 A220 I221 F223 | Q126-W211 HydrophobicContact CB-CH2 4.32Å; Q126-W211 HydrophobicContact CG-CH2 3.97Å; Q126-W211 HydrophobicContact CG-CZ3 4.2Å; Q126-W211 VanDerWaalsContact OE1-CH2 3.3Å; R127-W211 HydrophobicContact CB-CZ3 4.36Å; R127-W211 HydrophobicContact CG-CE3 4.3Å; R127-W211 HydrophobicContact CG-CH2 3.58Å; R127-W211 HydrophobicContact CG-CZ2 4.06Å; R127-W211 HydrophobicContact CG-CZ3 3.71Å; R127-W211 PolarHBondContact NH1-O 3.26Å; M130-W211 HydrophobicContact CB-CZ3 4.25Å; M130-W211 HydrophobicContact CG-CE3 4.32Å; M130-W211 HydrophobicContact CG-CZ3 4.41Å; L207-W211 PolarHBondContact O-N 3.36Å; Q208-W211 PolarHBondContact O-N 3.29Å; N209-W211 VanDerWaalsContact C-N 3.3Å; N209-W211 PolarHBondContact O-N 3.07Å; W211-K213 PolarHBondContact O-N 3.42Å; W211-R214 PolarHBondContact O-N 2.95Å; W211-L216 HydrophobicContact CB-CB 4.36Å; W211-L216 HydrophobicContact CB-CD2 3.91Å; W211-A220 PolarHBondContact NE1-O 3.44Å; W211-I221 WeakPolarHBondContact CZ2-O 3.36Å; W211-F223 HydrophobicContact CB-CD2 3.87Å; W211-F223 HydrophobicContact CB-CE2 4.16Å; W211-F223 AromaticContact CD1-CD2 3.86Å; W211-F223 HydrophobicContact CD2-CB 3.54Å; W211-F223 AromaticContact CD2-CD2 3.81Å; W211-F223 HydrophobicContact CD2-CD2 3.81Å; W211-F223 AromaticContact CD2-CG 3.98Å; W211-F223 HydrophobicContact CD2-CG 3.98Å; W211-F223 HydrophobicContact CE3-CB 3.58Å; W211-F223 HydrophobicContact CE3-CD2 4.35Å; W211-F223 HydrophobicContact CE3-CG 4.12Å; W211-F223 HydrophobicContact CG-CB 4.23Å; W211-F223 AromaticContact CG-CD2 3.54Å; W211-F223 HydrophobicContact CG-CD2 3.54Å; W211-F223 HydrophobicContact CG-CE2 4.29Å; W211-F223 HydrophobicContact CG-CG 4.21Å; W211-F223 HydrophobicContact CH2-CB 3.84Å; W211-F223 HydrophobicContact CZ2-CB 3.8Å; W211-F223 HydrophobicContact CZ3-CB 3.72Å |
| 212 | S | 91.3 | Very high | 89.4 | Confident | 12 Ų | 12 | 37.1 Ų | 37.1 | 8% | 0.084 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.7 | -33.3 | 178.9 | 77.5 | 0 | 0 | 0 | 0 | 112.8 | Q208 N209 | Q208-S212 PolarHBondContact O-N 2.96Å; N209-S212 PolarHBondContact O-N 3.1Å; N209-S212 PolarHBondContact O-OG 3.1Å |
| 213 | K | 88.6 | Confident | 89.5 | Confident | 71 Ų | 71 | 34.4 Ų | 34.4 | 31% | 0.309 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -3 | 177.5 | -65.3 | -174.8 | 175.6 | -152.8 | 0 | 115.5 | E149 N209 L210 W211 E215 | E149-K213 IonicContact OE1-NZ 2.78Å; E149-K213 PolarHBondContact OE1-NZ 2.98Å; E149-K213 IonicContact OE2-NZ 2.77Å; E149-K213 PolarHBondContact OE2-NZ 3.47Å; N209-K213 WeakPolarHBondContact O-CG 3.4Å; N209-K213 PolarHBondContact O-N 3.45Å; N209-K213 VanDerWaalsContact O-N 3.12Å; L210-K213 PolarHBondContact O-N 3.26Å; W211-K213 PolarHBondContact O-N 3.42Å; K213-E215 HydrophobicContact CB-CG 3.95Å; K213-E215 PolarHBondContact O-N 3.45Å |
| 214 | R | 86.3 | Confident | 89.5 | Confident | 109 Ų | 109 | 34.2 Ų | 34.2 | 41% | 0.411 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 25.3 | -172.8 | -46.6 | 167.7 | -175.2 | -91.9 | -4.6 | 113.8 | D88 L210 W211 | D88-R214 VanDerWaalsContact CG-NH1 3.28Å; D88-R214 IonicContact OD1-CZ 2.79Å; D88-R214 IonicContact OD1-NH1 2.73Å; D88-R214 PolarHBondContact OD1-NH1 3.48Å; D88-R214 IonicContact OD1-NH2 3.57Å; D88-R214 PolarHBondContact OD1-NH2 3.26Å; D88-R214 IonicContact OD2-CZ 3.98Å; D88-R214 IonicContact OD2-NH1 2.62Å; D88-R214 IonicContact OD2-NH2 2.76Å; D88-R214 PolarHBondContact OD2-NH2 2.98Å; L210-R214 PolarHBondContact O-N 2.94Å; W211-R214 PolarHBondContact O-N 2.95Å |
| 215 | E | 88.3 | Confident | 89.4 | Confident | 101 Ų | 101 | 36.8 Ų | 36.8 | 47% | 0.472 | 17% | 0.174 | S | C | . | . | trans | -94.4 | -20.5 | 179 | -68.2 | 173.2 | -172.4 | 0 | 0 | 112.2 | L210 K213 | L210-E215 HydrophobicContact CD2-CB 3.93Å; L210-E215 WeakPolarHBondContact CD2-OE2 3.38Å; L210-E215 PolarHBondContact O-N 3.08Å; K213-E215 HydrophobicContact CB-CG 3.95Å; K213-E215 PolarHBondContact O-N 3.45Å | ||
| 216 | L | 86.6 | Confident | 89.3 | Confident | 12 Ų | 12 | 35.5 Ų | 35.5 | 6% | 0.063 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -74.1 | 126.6 | 177.4 | -175.1 | 62.4 | 0 | 0 | 0 | 111.5 | L177 L207 L210 W211 T218 F223 | L177-L216 HydrophobicContact CD1-CD1 4.27Å; L177-L216 HydrophobicContact CD1-CD2 3.85Å; L177-L216 HydrophobicContact CD1-CG 4.29Å; L207-L216 HydrophobicContact CD1-CD1 3.52Å; L207-L216 HydrophobicContact CD1-CD2 3.71Å; L207-L216 HydrophobicContact CD1-CG 4.28Å; L207-L216 HydrophobicContact CG-CD2 4.11Å; L210-L216 HydrophobicContact CB-CB 3.95Å; L210-L216 PolarHBondContact O-N 2.98Å; W211-L216 HydrophobicContact CB-CB 4.36Å; W211-L216 HydrophobicContact CB-CD2 3.91Å; L216-T218 VanDerWaalsContact C-N 3.32Å; L216-T218 HydrophobicContact CB-CG2 4.4Å; L216-T218 HydrophobicContact CD2-CG2 3.76Å; L216-T218 HydrophobicContact CG-CG2 3.89Å; L216-T218 PolarHBondContact O-N 3.33Å; L216-F223 HydrophobicContact CD2-CE2 4.48Å |
| 217 | Q | 84.6 | Confident | 88.9 | Confident | 149 Ų | 149 | 37.1 Ų | 37.1 | 70% | 0.696 | 17% | 0.173 | S | C | * | . | trans | -76.6 | 81.6 | 176.1 | -60.9 | -61.7 | -32.9 | 0 | 0 | 110.8 | D174 | D174-Q217 HydrophobicContact CB-CB 4.4Å; D174-Q217 PolarHBondContact OD1-N 3.27Å | ||
| 218 | T | 83.6 | Confident | 88.5 | Confident | 34 Ų | 34 | 37 Ų | 37 | 21% | 0.209 | 17% | 0.173 | C | C | . | . | trans | -143.4 | 150.3 | 176.9 | -171.7 | 0 | 0 | 0 | 0 | 111.2 | L216 A220 | L216-T218 VanDerWaalsContact C-N 3.32Å; L216-T218 HydrophobicContact CB-CG2 4.4Å; L216-T218 HydrophobicContact CD2-CG2 3.76Å; L216-T218 HydrophobicContact CG-CG2 3.89Å; L216-T218 PolarHBondContact O-N 3.33Å; T218-A220 HydrophobicContact CG2-CB 3.93Å; T218-A220 PolarHBondContact O-N 3.15Å; T218-A220 PolarHBondContact OG1-N 3.29Å | ||
| 219 | D | 82.9 | Confident | 87.7 | Confident | 75 Ų | 75 | 38.1 Ų | 38.1 | 40% | 0.401 | 18% | 0.176 | S | C | . | . | trans | -86.6 | 11.6 | 174.7 | 70.1 | -46.4 | 0 | 0 | 0 | 113 | K271 K320 | D219-K271 WeakPolarHBondContact O-CD 3.25Å; D219-K271 PolarHBondContact O-NZ 3.41Å; D219-K271 IonicContact OD2-NZ 2.73Å; D219-K271 PolarHBondContact OD2-NZ 3.23Å; D219-K320 IonicContact OD1-NZ 2.96Å; D219-K320 PolarHBondContact OD1-NZ 2.99Å | ||
| 220 | A | 86.4 | Confident | 86.9 | Confident | 7 Ų | 7 | 38.4 Ų | 38.4 | 6% | 0.058 | 18% | 0.177 | C | C | . | . | trans | -83.7 | 125.5 | -174 | 0 | 0 | 0 | 0 | 0 | 111.5 | W211 T218 K271 V273 | W211-A220 PolarHBondContact NE1-O 3.44Å; T218-A220 HydrophobicContact CG2-CB 3.93Å; T218-A220 PolarHBondContact O-N 3.15Å; T218-A220 PolarHBondContact OG1-N 3.29Å; A220-K271 CarbonylContact C-O 3.41Å; A220-K271 WeakPolarHBondContact CA-O 3.29Å; A220-V273 HydrophobicContact CB-CB 4.45Å; A220-V273 HydrophobicContact CB-CG2 3.46Å; A220-V273 VanDerWaalsContact CB-CG2 3.46Å | ||
| 221 | I | 86.3 | Confident | 86.2 | Confident | 40 Ų | 40 | 37.4 Ų | 37.4 | 21% | 0.205 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -88.8 | -31.3 | 178.6 | -59.5 | 172.6 | 0 | 0 | 0 | 110.7 | I119 C123 W211 Y264 K271 | I119-I221 HydrophobicContact CG2-CG2 4.36Å; C123-I221 HydrophobicContact CB-CG2 4.29Å; C123-I221 PolarHBondContact SG-O 3.46Å; W211-I221 WeakPolarHBondContact CZ2-O 3.36Å; I221-Y264 HydrophobicContact CD1-CE1 4.05Å; I221-Y264 VanDerWaalsContact CD1-OH 3.28Å; I221-Y264 WeakPolarHBondContact CD1-OH 3.47Å; I221-K271 HydrophobicContact CB-CB 4.28Å; I221-K271 HydrophobicContact CD1-CB 4.14Å; I221-K271 HydrophobicContact CD1-CD 4.22Å; I221-K271 HydrophobicContact CD1-CG 4.09Å; I221-K271 HydrophobicContact CG1-CB 4.17Å; I221-K271 HydrophobicContact CG1-CD 4.36Å; I221-K271 HydrophobicContact CG1-CG 4.48Å; I221-K271 PolarHBondContact N-O 2.86Å |
| 222 | F | 91.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 141.9 | -178.9 | -56.9 | -62.1 | 0 | 0 | 0 | 112.1 | I119 Y122 C123 F224 V261 Y264 I265 K271 V272 V273 | I119-F222 HydrophobicContact CG2-CE1 4.5Å; I119-F222 HydrophobicContact CG2-CE2 4.45Å; I119-F222 HydrophobicContact CG2-CZ 3.71Å; Y122-F222 AromaticContact CD1-CD1 3.9Å; Y122-F222 HydrophobicContact CD1-CD1 3.9Å; Y122-F222 AromaticContact CD1-CE1 3.47Å; Y122-F222 HydrophobicContact CD1-CE1 3.47Å; Y122-F222 VanDerWaalsContact CD1-CE1 3.47Å; Y122-F222 HydrophobicContact CD1-CZ 4.28Å; Y122-F222 AromaticContact CE1-CD1 3.93Å; Y122-F222 HydrophobicContact CE1-CD1 3.93Å; Y122-F222 AromaticContact CE1-CE1 3.96Å; Y122-F222 HydrophobicContact CE1-CE1 3.96Å; C123-F222 HydrophobicContact CB-CE1 4.32Å; F222-F224 HydrophobicContact CB-CD2 4.45Å; F222-F224 HydrophobicContact CB-CE2 3.8Å; F222-F224 HydrophobicContact CB-CZ 4.35Å; F222-V261 HydrophobicContact CZ-CG1 4.36Å; F222-Y264 AromaticContact CE2-CD1 3.79Å; F222-Y264 HydrophobicContact CE2-CD1 3.79Å; F222-Y264 HydrophobicContact CE2-CE1 4.16Å; F222-Y264 HydrophobicContact CZ-CD1 4.48Å; F222-I265 HydrophobicContact CD2-CD1 4.21Å; F222-I265 HydrophobicContact CD2-CG1 3.63Å; F222-I265 HydrophobicContact CE2-CD1 4.29Å; F222-I265 HydrophobicContact CE2-CG1 3.63Å; F222-I265 HydrophobicContact CG-CG1 4.41Å; F222-I265 HydrophobicContact CZ-CG1 4.43Å; F222-K271 PolarHBondContact N-O 3.2Å; F222-K271 VanDerWaalsContact N-O 3.07Å; F222-V272 HydrophobicContact CB-CG1 4.4Å; F222-V272 HydrophobicContact CB-CG2 4.38Å; F222-V272 HydrophobicContact CD2-CG2 4.25Å; F222-V272 WeakPolarHBondContact O-CA 3.32Å; F222-V273 PolarHBondContact O-N 2.75Å |
| 223 | F | 93.1 | Very high | 83.8 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 109.6 | -179.3 | -154.4 | -63.7 | 0 | 0 | 0 | 110.5 | Q126 M130 L207 Q208 W211 L216 V273 T275 | Q126-F223 VanDerWaalsContact CD-O 3.27Å; Q126-F223 PolarHBondContact NE2-O 2.73Å; Q126-F223 VanDerWaalsContact NE2-O 3.15Å; M130-F223 HydrophobicContact CE-CD1 4.21Å; M130-F223 WeakPolarHBondContact CE-O 3.33Å; L207-F223 HydrophobicContact CD2-CE2 4.4Å; L207-F223 HydrophobicContact CD2-CZ 4.02Å; L207-F223 HydrophobicContact CG-CE2 4.37Å; L207-F223 HydrophobicContact CG-CZ 4.21Å; Q208-F223 HydrophobicContact CB-CE1 4.4Å; Q208-F223 HydrophobicContact CG-CD1 4.02Å; Q208-F223 HydrophobicContact CG-CE1 3.37Å; Q208-F223 HydrophobicContact CG-CZ 3.89Å; W211-F223 HydrophobicContact CB-CD2 3.87Å; W211-F223 HydrophobicContact CB-CE2 4.16Å; W211-F223 AromaticContact CD1-CD2 3.86Å; W211-F223 HydrophobicContact CD2-CB 3.54Å; W211-F223 AromaticContact CD2-CD2 3.81Å; W211-F223 HydrophobicContact CD2-CD2 3.81Å; W211-F223 AromaticContact CD2-CG 3.98Å; W211-F223 HydrophobicContact CD2-CG 3.98Å; W211-F223 HydrophobicContact CE3-CB 3.58Å; W211-F223 HydrophobicContact CE3-CD2 4.35Å; W211-F223 HydrophobicContact CE3-CG 4.12Å; W211-F223 HydrophobicContact CG-CB 4.23Å; W211-F223 AromaticContact CG-CD2 3.54Å; W211-F223 HydrophobicContact CG-CD2 3.54Å; W211-F223 HydrophobicContact CG-CE2 4.29Å; W211-F223 HydrophobicContact CG-CG 4.21Å; W211-F223 HydrophobicContact CH2-CB 3.84Å; W211-F223 HydrophobicContact CZ2-CB 3.8Å; W211-F223 HydrophobicContact CZ3-CB 3.72Å; L216-F223 HydrophobicContact CD2-CE2 4.48Å; F223-V273 WeakPolarHBondContact CA-O 3.28Å; F223-V273 HydrophobicContact CD2-CB 3.93Å; F223-V273 HydrophobicContact CD2-CG1 4.01Å; F223-V273 HydrophobicContact CE1-CG1 4.32Å; F223-V273 HydrophobicContact CE2-CB 4.03Å; F223-V273 HydrophobicContact CE2-CG1 3.6Å; F223-V273 HydrophobicContact CG-CB 4.38Å; F223-V273 HydrophobicContact CZ-CG1 3.77Å; F223-T275 HydrophobicContact CE1-CG2 3.39Å; F223-T275 HydrophobicContact CZ-CG2 3.53Å |
| 224 | F | 93.1 | Very high | 82.7 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 131 | -179.8 | -63.7 | -79.4 | 0 | 0 | 0 | 110.8 | Y122 F222 F226 L246 N250 I265 V272 V273 F274 T275 | Y122-F224 HydrophobicContact CE1-CZ 4.42Å; Y122-F224 WeakPolarHBondContact OH-CE1 3.43Å; F222-F224 HydrophobicContact CB-CD2 4.45Å; F222-F224 HydrophobicContact CB-CE2 3.8Å; F222-F224 HydrophobicContact CB-CZ 4.35Å; F224-F226 HydrophobicContact CB-CD2 4.43Å; F224-F226 HydrophobicContact CB-CE2 3.84Å; F224-F226 HydrophobicContact CB-CZ 4.26Å; F224-L246 HydrophobicContact CD1-CB 4.43Å; F224-L246 HydrophobicContact CD1-CD2 3.95Å; F224-L246 HydrophobicContact CD2-CD2 3.94Å; F224-L246 HydrophobicContact CE1-CB 3.9Å; F224-L246 HydrophobicContact CE1-CD2 4.01Å; F224-L246 HydrophobicContact CE1-CG 4.43Å; F224-L246 HydrophobicContact CE2-CD2 4.02Å; F224-L246 HydrophobicContact CG-CD2 3.91Å; F224-L246 HydrophobicContact CZ-CB 4.2Å; F224-L246 HydrophobicContact CZ-CD1 4.35Å; F224-L246 HydrophobicContact CZ-CD2 4.05Å; F224-L246 HydrophobicContact CZ-CG 4.42Å; F224-N250 HydrophobicContact CD1-CB 4.2Å; F224-I265 HydrophobicContact CE2-CD1 4.22Å; F224-I265 HydrophobicContact CZ-CD1 3.89Å; F224-V272 HydrophobicContact CD2-CG1 3.55Å; F224-V272 HydrophobicContact CE2-CG1 3.72Å; F224-V273 PolarHBondContact N-O 2.93Å; F224-F274 HydrophobicContact CB-CD1 3.64Å; F224-F274 HydrophobicContact CB-CE1 3.68Å; F224-F274 HydrophobicContact CD2-CD1 4.29Å; F224-F274 AromaticContact CD2-CE1 3.63Å; F224-F274 HydrophobicContact CD2-CE1 3.63Å; F224-F274 HydrophobicContact CD2-CZ 4.03Å; F224-F274 HydrophobicContact CG-CD1 4.35Å; F224-F274 AromaticContact CG-CE1 3.9Å; F224-F274 HydrophobicContact CG-CE1 3.9Å; F224-F274 WeakPolarHBondContact O-CA 2.83Å; F224-T275 PolarHBondContact O-N 2.76Å; F224-T275 PolarHBondContact O-OG1 2.83Å |
| 225 | K | 90.6 | Very high | 81.5 | Confident | 57 Ų | 57 | 41.5 Ų | 41.5 | 25% | 0.248 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 135.2 | -179.5 | 64.8 | 173.2 | 177 | -174.6 | 0 | 110.4 | M130 D133 N250 T275 | M130-K225 HydrophobicContact CE-CB 4.42Å; M130-K225 HydrophobicContact CE-CD 4.11Å; M130-K225 HydrophobicContact CE-CG 4.11Å; M130-K225 HydrophobicContact SD-CD 3.72Å; M130-K225 HydrophobicContact SD-CG 4.37Å; D133-K225 IonicContact OD2-NZ 3.62Å; D133-K225 PolarHBondContact OD2-NZ 3.32Å; K225-N250 PolarHBondContact N-OD1 2.98Å; K225-N250 VanDerWaalsContact N-OD1 3.1Å; K225-N250 PolarHBondContact O-OD1 2.95Å; K225-T275 WeakPolarHBondContact CA-OG1 3Å |
| 226 | F | 88.5 | Confident | 80 | Confident | 7 Ų | 7 | 44.5 Ų | 44.5 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 129.3 | -172.3 | -73.3 | -49.2 | 0 | 0 | 0 | 109.3 | F224 M230 F231 L245 L246 N250 F274 T275 F276 D277 | F224-F226 HydrophobicContact CB-CD2 4.43Å; F224-F226 HydrophobicContact CB-CE2 3.84Å; F224-F226 HydrophobicContact CB-CZ 4.26Å; F226-M230 HydrophobicContact CB-CE 3.45Å; F226-M230 VanDerWaalsContact CB-CE 3.45Å; F226-M230 HydrophobicContact CD1-CE 3.31Å; F226-M230 HydrophobicContact CD1-SD 4.19Å; F226-M230 HydrophobicContact CE1-CE 4.26Å; F226-M230 HydrophobicContact CG-CE 3.67Å; F226-F231 HydrophobicContact CB-CE2 4.46Å; F226-L245 HydrophobicContact CE1-CD1 3.91Å; F226-L245 HydrophobicContact CE1-CG 4.02Å; F226-L245 WeakPolarHBondContact CE1-O 3.44Å; F226-L245 HydrophobicContact CZ-CD1 4.24Å; F226-L245 HydrophobicContact CZ-CD2 4.46Å; F226-L245 HydrophobicContact CZ-CG 3.84Å; F226-L246 HydrophobicContact CZ-CD2 4.26Å; F226-N250 WeakPolarHBondContact CE1-ND2 3.47Å; F226-N250 VanDerWaalsContact CZ-ND2 3.27Å; F226-N250 WeakPolarHBondContact CZ-ND2 3.34Å; F226-F274 HydrophobicContact CD2-CD1 4.08Å; F226-F274 AromaticContact CE2-CD1 3.67Å; F226-F274 HydrophobicContact CE2-CD1 3.67Å; F226-F274 AromaticContact CE2-CE1 3.87Å; F226-F274 HydrophobicContact CE2-CE1 3.87Å; F226-T275 PolarHBondContact N-O 3.19Å; F226-F276 HydrophobicContact CB-CD1 3.62Å; F226-F276 HydrophobicContact CB-CE1 3.83Å; F226-F276 HydrophobicContact CD2-CD1 4.12Å; F226-F276 AromaticContact CD2-CE1 3.48Å; F226-F276 HydrophobicContact CD2-CE1 3.48Å; F226-F276 VanDerWaalsContact CD2-CE1 3.48Å; F226-F276 AromaticContact CD2-CZ 4Å; F226-F276 HydrophobicContact CD2-CZ 4Å; F226-F276 HydrophobicContact CE2-CE1 4.35Å; F226-F276 HydrophobicContact CG-CD1 4.32Å; F226-F276 HydrophobicContact CG-CE1 4.01Å; F226-F276 CarbonylContact O-C 3.58Å; F226-F276 WeakPolarHBondContact O-CA 3.39Å; F226-D277 PolarHBondContact O-N 2.85Å |
| 227 | R | 85 | Confident | 78.4 | Confident | 58 Ų | 58 | 48.3 Ų | 48.3 | 22% | 0.219 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 120.8 | 169.8 | -69.9 | -173.2 | -69.7 | -172.3 | -12.8 | 108.1 | R229 M230 E497 E508 | R227-R229 HydrophobicContact CB-CG 4.23Å; R227-R229 PolarHBondContact O-N 2.87Å; R227-R229 VanDerWaalsContact O-N 3.12Å; R227-M230 WeakPolarHBondContact O-CB 3.33Å; R227-M230 WeakPolarHBondContact O-CE 3.38Å; R227-M230 WeakPolarHBondContact O-CG 3.39Å; R227-M230 PolarHBondContact O-N 3.47Å; R227-E497 IonicContact CZ-OE1 3.88Å; R227-E497 IonicContact NE-OE1 3.77Å; R227-E497 IonicContact NH2-OE1 2.97Å; R227-E497 PolarHBondContact NH2-OE1 2.58Å; R227-E508 IonicContact NH1-OE1 3.45Å; R227-E508 PolarHBondContact NH1-OE1 3.08Å; R227-E508 VanDerWaalsContact NH1-OE1 3.16Å |
| 228 | C | 83.5 | Confident | 77.5 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -57.4 | -32.8 | -174.5 | -76.6 | 0 | 0 | 0 | 0 | 113 | M230 F231 D277 G278 I282 | C228-M230 PolarHBondContact O-N 3.23Å; C228-F231 WeakPolarHBondContact O-CB 3.17Å; C228-F231 WeakPolarHBondContact O-CD2 3.5Å; C228-F231 PolarHBondContact O-N 3.3Å; C228-F231 VanDerWaalsContact O-N 3.16Å; C228-D277 WeakPolarHBondContact CB-O 2.91Å; C228-D277 PolarHBondContact N-O 2.88Å; C228-G278 WeakPolarHBondContact CB-O 3.33Å; C228-I282 HydrophobicContact CB-CD1 3.98Å; C228-I282 HydrophobicContact CB-CG1 3.85Å |
| 229 | R | 75.8 | Confident | 77.3 | Confident | 41 Ų | 41 | 49.8 Ų | 49.8 | 16% | 0.155 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -58.1 | -28.4 | 175.2 | 70.1 | 179.9 | 67.1 | -178.7 | -1.1 | 114.5 | R227 F231 S232 E281 E508 | R227-R229 HydrophobicContact CB-CG 4.23Å; R227-R229 PolarHBondContact O-N 2.87Å; R227-R229 VanDerWaalsContact O-N 3.12Å; R229-F231 PolarHBondContact O-N 3.04Å; R229-S232 WeakPolarHBondContact O-CB 3.34Å; R229-S232 PolarHBondContact O-N 3.45Å; R229-E281 HydrophobicContact CB-CB 4.14Å; R229-E281 IonicContact CZ-OE1 3.85Å; R229-E281 IonicContact CZ-OE2 3.18Å; R229-E281 IonicContact NE-OE2 2.85Å; R229-E281 PolarHBondContact NE-OE2 3.49Å; R229-E281 IonicContact NH2-OE1 3.37Å; R229-E281 PolarHBondContact NH2-OE1 2.94Å; R229-E281 IonicContact NH2-OE2 2.68Å; R229-E281 PolarHBondContact NH2-OE2 3.47Å; R229-E508 IonicContact CZ-OE2 2.89Å; R229-E508 IonicContact NH1-OE1 3.33Å; R229-E508 IonicContact NH1-OE2 2.98Å; R229-E508 PolarHBondContact NH1-OE2 3.45Å |
| 230 | M | 76.2 | Confident | 77.4 | Confident | 6 Ų | 6 | 46.7 Ų | 46.7 | 3% | 0.03 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -65.1 | -26.5 | -179.3 | 82.8 | -160.8 | 159.4 | 0 | 0 | 111.6 | F226 R227 C228 S232 I233 F234 | F226-M230 HydrophobicContact CB-CE 3.45Å; F226-M230 VanDerWaalsContact CB-CE 3.45Å; F226-M230 HydrophobicContact CD1-CE 3.31Å; F226-M230 HydrophobicContact CD1-SD 4.19Å; F226-M230 HydrophobicContact CE1-CE 4.26Å; F226-M230 HydrophobicContact CG-CE 3.67Å; R227-M230 WeakPolarHBondContact O-CB 3.33Å; R227-M230 WeakPolarHBondContact O-CE 3.38Å; R227-M230 WeakPolarHBondContact O-CG 3.39Å; R227-M230 PolarHBondContact O-N 3.47Å; C228-M230 PolarHBondContact O-N 3.23Å; M230-S232 PolarHBondContact O-N 3.48Å; M230-I233 HydrophobicContact CB-CD1 4.42Å; M230-I233 WeakPolarHBondContact O-CB 3.26Å; M230-I233 PolarHBondContact O-N 2.95Å; M230-F234 HydrophobicContact CG-CE2 4.3Å; M230-F234 VanDerWaalsContact O-CD2 3.27Å; M230-F234 WeakPolarHBondContact O-CD2 3.3Å; M230-F234 WeakPolarHBondContact O-CE2 3.22Å |
| 231 | F | 76.2 | Confident | 77.4 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -68.1 | -17.5 | 177 | -65.7 | -80.9 | 0 | 0 | 0 | 112.8 | F226 C228 R229 F234 L245 F276 S303 L304 L307 | F226-F231 HydrophobicContact CB-CE2 4.46Å; C228-F231 WeakPolarHBondContact O-CB 3.17Å; C228-F231 WeakPolarHBondContact O-CD2 3.5Å; C228-F231 PolarHBondContact O-N 3.3Å; C228-F231 VanDerWaalsContact O-N 3.16Å; R229-F231 PolarHBondContact O-N 3.04Å; F231-F234 HydrophobicContact CD1-CE2 4.34Å; F231-L245 HydrophobicContact CE1-CD1 3.79Å; F231-L245 HydrophobicContact CE1-CD2 4.14Å; F231-L245 HydrophobicContact CZ-CD1 4.08Å; F231-L245 HydrophobicContact CZ-CD2 4.36Å; F231-F276 HydrophobicContact CE2-CD1 4.4Å; F231-F276 HydrophobicContact CE2-CE1 4.4Å; F231-F276 HydrophobicContact CZ-CE1 4.38Å; F231-S303 WeakPolarHBondContact CD1-O 3.47Å; F231-S303 PolarHBondContact O-OG 2.91Å; F231-L304 HydrophobicContact CB-CD2 3.58Å; F231-L304 HydrophobicContact CB-CG 4.27Å; F231-L307 HydrophobicContact CB-CD2 4.49Å; F231-L307 HydrophobicContact CD1-CB 4.04Å; F231-L307 HydrophobicContact CD1-CD2 4.49Å; F231-L307 HydrophobicContact CD2-CD1 4.4Å; F231-L307 HydrophobicContact CD2-CD2 3.69Å; F231-L307 HydrophobicContact CD2-CG 4.42Å; F231-L307 HydrophobicContact CE1-CB 3.85Å; F231-L307 HydrophobicContact CE2-CB 4.3Å; F231-L307 HydrophobicContact CE2-CD1 3.74Å; F231-L307 HydrophobicContact CE2-CD2 3.9Å; F231-L307 HydrophobicContact CE2-CG 4.18Å; F231-L307 HydrophobicContact CG-CB 4.38Å; F231-L307 HydrophobicContact CG-CD2 3.99Å; F231-L307 HydrophobicContact CZ-CB 3.99Å; F231-L307 HydrophobicContact CZ-CD1 3.88Å; F231-L307 HydrophobicContact CZ-CD2 4.43Å; F231-L307 HydrophobicContact CZ-CG 4.31Å |
| 232 | S | 67.9 | Low | 77.5 | Confident | 35 Ų | 35 | 45 Ų | 45 | 25% | 0.245 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -89.3 | -9.8 | 172.5 | -53.6 | 0 | 0 | 0 | 0 | 113.4 | R229 M230 Q283 | R229-S232 WeakPolarHBondContact O-CB 3.34Å; R229-S232 PolarHBondContact O-N 3.45Å; M230-S232 PolarHBondContact O-N 3.48Å; S232-Q283 PolarHBondContact OG-N 3.36Å |
| 233 | I | 63.8 | Low | 77.2 | Confident | 73 Ų | 73 | 48 Ų | 48 | 37% | 0.374 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -33.7 | 179.7 | -57.6 | 176.9 | 0 | 0 | 0 | 111.2 | M230 K235 L471 | M230-I233 HydrophobicContact CB-CD1 4.42Å; M230-I233 WeakPolarHBondContact O-CB 3.26Å; M230-I233 PolarHBondContact O-N 2.95Å; I233-K235 PolarHBondContact O-N 3.39Å; I233-L471 HydrophobicContact CD1-CD1 3.34Å; I233-L471 HydrophobicContact CG1-CD1 3.32Å |
| 234 | F | 66.9 | Low | 76.9 | Confident | 26 Ų | 26 | 50.5 Ų | 50.5 | 11% | 0.114 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -57.3 | 123.6 | 179.3 | -64.8 | -62.6 | 0 | 0 | 0 | 110 | M230 F231 I240 Y249 S303 | M230-F234 HydrophobicContact CG-CE2 4.3Å; M230-F234 VanDerWaalsContact O-CD2 3.27Å; M230-F234 WeakPolarHBondContact O-CD2 3.3Å; M230-F234 WeakPolarHBondContact O-CE2 3.22Å; F231-F234 HydrophobicContact CD1-CE2 4.34Å; F234-I240 HydrophobicContact CE2-CD1 4.39Å; F234-I240 HydrophobicContact CZ-CD1 4.37Å; F234-Y249 HydrophobicContact CE1-CD1 4.26Å; F234-Y249 AromaticContact CE1-CE1 3.43Å; F234-Y249 HydrophobicContact CE1-CE1 3.43Å; F234-Y249 VanDerWaalsContact CE1-CE1 3.43Å; F234-Y249 HydrophobicContact CE1-CE2 4.06Å; F234-Y249 AromaticContact CE1-CZ 3.3Å; F234-Y249 VanDerWaalsContact CE1-OH 3.24Å; F234-Y249 WeakPolarHBondContact CE1-OH 3.34Å; F234-Y249 AromaticContact CZ-CD1 3.99Å; F234-Y249 HydrophobicContact CZ-CD1 3.99Å; F234-Y249 HydrophobicContact CZ-CD2 4.41Å; F234-Y249 AromaticContact CZ-CE1 3.62Å; F234-Y249 HydrophobicContact CZ-CE1 3.62Å; F234-Y249 HydrophobicContact CZ-CE2 4.03Å; F234-Y249 HydrophobicContact CZ-CG 4.38Å; F234-Y249 AromaticContact CZ-CZ 3.63Å; F234-S303 WeakPolarHBondContact CD2-OG 3.46Å |
| 235 | K | 60.2 | Low | 76.5 | Confident | 149 Ų | 149 | 50.5 Ų | 50.5 | 65% | 0.648 | 25% | 0.25 | S | C | * | . | trans | -60.1 | 143 | 174.6 | -65.6 | 177.6 | -179 | 172.6 | 0 | 108.1 | I233 A237 E238 | I233-K235 PolarHBondContact O-N 3.39Å; K235-A237 PolarHBondContact O-N 2.77Å; K235-E238 HydrophobicContact CB-CG 4.33Å; K235-E238 PolarHBondContact O-N 2.96Å | ||
| 236 | E | 56.8 | Low | 76.4 | Confident | 164 Ų | 164 | 47.8 Ų | 47.8 | 77% | 0.766 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -26.1 | 178.2 | -68.9 | 179.5 | 174.3 | 0 | 0 | 113.4 | ||
| 237 | A | 52.9 | Low | 76.3 | Confident | 93 Ų | 93 | 47.7 Ų | 47.7 | 77% | 0.769 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -14.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | K235 Q239 | K235-A237 PolarHBondContact O-N 2.77Å; A237-Q239 PolarHBondContact O-N 3.41Å |
| 238 | E | 67.3 | Low | 76.1 | Confident | 87 Ų | 87 | 49 Ų | 49 | 41% | 0.407 | 25% | 0.245 | S | C | . | . | trans | -84.9 | 101.5 | 180 | -74.6 | -179.8 | -178.5 | 0 | 0 | 110.3 | K235 | K235-E238 HydrophobicContact CB-CG 4.33Å; K235-E238 PolarHBondContact O-N 2.96Å | ||
| 239 | Q | 78.9 | Confident | 75.8 | Confident | 127 Ų | 127 | 50 Ų | 50 | 59% | 0.593 | 25% | 0.249 | S | C | * | . | trans | -88.3 | 123.3 | 170.7 | -58 | -175.1 | -24.2 | 0 | 0 | 109.8 | A237 K300 A301 | A237-Q239 PolarHBondContact O-N 3.41Å; Q239-K300 HydrophobicContact CB-CB 3.76Å; Q239-A301 WeakPolarHBondContact CA-O 3.33Å | ||
| 240 | I | 83.4 | Confident | 76.1 | Confident | 10 Ų | 10 | 49.5 Ų | 49.5 | 5% | 0.051 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -117.6 | 150.6 | 179.6 | 57.5 | 166.5 | 0 | 0 | 0 | 109.9 | F234 D244 L245 Y249 K300 A301 L306 | F234-I240 HydrophobicContact CE2-CD1 4.39Å; F234-I240 HydrophobicContact CZ-CD1 4.37Å; I240-D244 HydrophobicContact CB-CB 4.26Å; I240-L245 HydrophobicContact CD1-CB 4.47Å; I240-L245 HydrophobicContact CD1-CD1 4.23Å; I240-Y249 HydrophobicContact CD1-CE2 4.33Å; I240-Y249 HydrophobicContact CG2-CE2 4.42Å; I240-K300 WeakPolarHBondContact O-CA 3.39Å; I240-A301 PolarHBondContact N-O 3.37Å; I240-A301 PolarHBondContact O-N 3.27Å; I240-A301 VanDerWaalsContact O-O 3.12Å; I240-L306 HydrophobicContact CD1-CD1 4.16Å; I240-L306 HydrophobicContact CG1-CD1 3.82Å; I240-L306 WeakPolarHBondContact O-CD1 3.42Å |
| 241 | S | 87.6 | Confident | 76.4 | Confident | 11 Ų | 11 | 49.5 Ų | 49.5 | 8% | 0.077 | 25% | 0.25 | C | C | . | . | trans | -91.3 | 169.2 | 171.9 | 66.1 | 0 | 0 | 0 | 0 | 111.5 | R243 D244 L245 | S241-R243 PolarHBondContact O-N 2.83Å; S241-D244 WeakPolarHBondContact CB-OD2 3.06Å; S241-D244 PolarHBondContact N-OD2 3.39Å; S241-D244 PolarHBondContact O-N 2.75Å; S241-D244 PolarHBondContact OG-N 2.67Å; S241-D244 VanDerWaalsContact OG-N 3.14Å; S241-D244 PolarHBondContact OG-OD2 3.34Å; S241-L245 PolarHBondContact O-N 3.49Å | ||
| 242 | L | 87.5 | Confident | 76.7 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.2 | -38.5 | 172.2 | -179.9 | 61.5 | 0 | 0 | 0 | 111 | D244 L245 L246 P297 L310 L316 | L242-D244 PolarHBondContact O-N 2.87Å; L242-L245 HydrophobicContact CD1-CD2 4.49Å; L242-L245 WeakPolarHBondContact O-CB 3.16Å; L242-L245 PolarHBondContact O-N 2.86Å; L242-L246 HydrophobicContact CD1-CG 4.26Å; L242-L246 HydrophobicContact CG-CD1 4.27Å; L242-L246 HydrophobicContact CG-CG 4.38Å; L242-L246 WeakPolarHBondContact O-CG 3.42Å; L242-L246 PolarHBondContact O-N 3Å; L242-P297 HydrophobicContact CB-CB 4.38Å; L242-P297 VanDerWaalsContact CB-O 3.31Å; L242-P297 WeakPolarHBondContact CB-O 3.44Å; L242-P297 HydrophobicContact CD2-CB 4.02Å; L242-P297 PolarHBondContact N-O 3.18Å; L242-L310 HydrophobicContact CD1-CD1 3.91Å; L242-L310 HydrophobicContact CD1-CD2 3.9Å; L242-L310 HydrophobicContact CD1-CG 4.22Å; L242-L316 HydrophobicContact CD2-CD1 4.02Å; L242-L316 HydrophobicContact CD2-CD2 4.48Å; L242-L316 HydrophobicContact CD2-CG 3.99Å |
| 243 | R | 87.1 | Confident | 77.4 | Confident | 64 Ų | 64 | 54.2 Ų | 54.2 | 24% | 0.242 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.7 | -46.5 | 176.5 | -179.5 | -176.8 | 169.4 | 152.3 | 5.7 | 111.7 | S241 L245 L246 F247 N259 F262 | S241-R243 PolarHBondContact O-N 2.83Å; R243-L245 VanDerWaalsContact C-N 3.3Å; R243-L245 PolarHBondContact O-N 2.93Å; R243-L246 PolarHBondContact O-N 2.92Å; R243-F247 HydrophobicContact CG-CD2 3.69Å; R243-F247 HydrophobicContact CG-CE2 3.94Å; R243-F247 PolarHBondContact O-N 3.33Å; R243-N259 PolarHBondContact NH1-ND2 3.08Å; R243-N259 VanDerWaalsContact NH1-ND2 3.15Å; R243-N259 PolarHBondContact NH1-OD1 3.36Å; R243-N259 PolarHBondContact NH2-OD1 2.88Å; R243-F262 HydrophobicContact CB-CD2 4.12Å; R243-F262 HydrophobicContact CB-CE1 4.36Å; R243-F262 HydrophobicContact CB-CE2 3.7Å; R243-F262 HydrophobicContact CB-CZ 3.83Å; R243-F262 HydrophobicContact CG-CD2 4.2Å; R243-F262 HydrophobicContact CG-CE2 4.3Å; R243-F262 HydrophobicContact CG-CG 4.49Å |
| 244 | D | 85.1 | Confident | 78.1 | Confident | 52 Ų | 52 | 54.7 Ų | 54.7 | 28% | 0.278 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.1 | -44 | 176.6 | -60.4 | -46.6 | 0 | 0 | 0 | 110.1 | I240 S241 L242 L246 K248 Y249 | I240-D244 HydrophobicContact CB-CB 4.26Å; S241-D244 WeakPolarHBondContact CB-OD2 3.06Å; S241-D244 PolarHBondContact N-OD2 3.39Å; S241-D244 PolarHBondContact O-N 2.75Å; S241-D244 PolarHBondContact OG-N 2.67Å; S241-D244 VanDerWaalsContact OG-N 3.14Å; S241-D244 PolarHBondContact OG-OD2 3.34Å; L242-D244 PolarHBondContact O-N 2.87Å; D244-L246 VanDerWaalsContact C-N 3.34Å; D244-L246 PolarHBondContact O-N 2.87Å; D244-K248 WeakPolarHBondContact O-CA 3.19Å; D244-K248 WeakPolarHBondContact O-CB 3.5Å; D244-K248 PolarHBondContact O-N 3.18Å; D244-Y249 WeakPolarHBondContact O-CD2 3.34Å |
| 245 | L | 86.4 | Confident | 78.1 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.6 | -44.1 | 177.3 | -174.2 | 62.1 | 0 | 0 | 0 | 112.4 | F226 F231 I240 S241 L242 R243 Y249 L306 L310 | F226-L245 HydrophobicContact CE1-CD1 3.91Å; F226-L245 HydrophobicContact CE1-CG 4.02Å; F226-L245 WeakPolarHBondContact CE1-O 3.44Å; F226-L245 HydrophobicContact CZ-CD1 4.24Å; F226-L245 HydrophobicContact CZ-CD2 4.46Å; F226-L245 HydrophobicContact CZ-CG 3.84Å; F231-L245 HydrophobicContact CE1-CD1 3.79Å; F231-L245 HydrophobicContact CE1-CD2 4.14Å; F231-L245 HydrophobicContact CZ-CD1 4.08Å; F231-L245 HydrophobicContact CZ-CD2 4.36Å; I240-L245 HydrophobicContact CD1-CB 4.47Å; I240-L245 HydrophobicContact CD1-CD1 4.23Å; S241-L245 PolarHBondContact O-N 3.49Å; L242-L245 HydrophobicContact CD1-CD2 4.49Å; L242-L245 WeakPolarHBondContact O-CB 3.16Å; L242-L245 PolarHBondContact O-N 2.86Å; R243-L245 VanDerWaalsContact C-N 3.3Å; R243-L245 PolarHBondContact O-N 2.93Å; L245-Y249 HydrophobicContact CD1-CD2 4.45Å; L245-L306 HydrophobicContact CD2-CB 4.33Å; L245-L306 HydrophobicContact CD2-CD1 4.46Å; L245-L310 HydrophobicContact CD2-CD1 3.84Å |
| 246 | L | 87.8 | Confident | 78.7 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -72.7 | -45.6 | -178.5 | -65.4 | -178.3 | 0 | 0 | 0 | 112.8 | F224 F226 L242 R243 D244 N250 F262 I265 F274 | F224-L246 HydrophobicContact CD1-CB 4.43Å; F224-L246 HydrophobicContact CD1-CD2 3.95Å; F224-L246 HydrophobicContact CD2-CD2 3.94Å; F224-L246 HydrophobicContact CE1-CB 3.9Å; F224-L246 HydrophobicContact CE1-CD2 4.01Å; F224-L246 HydrophobicContact CE1-CG 4.43Å; F224-L246 HydrophobicContact CE2-CD2 4.02Å; F224-L246 HydrophobicContact CG-CD2 3.91Å; F224-L246 HydrophobicContact CZ-CB 4.2Å; F224-L246 HydrophobicContact CZ-CD1 4.35Å; F224-L246 HydrophobicContact CZ-CD2 4.05Å; F224-L246 HydrophobicContact CZ-CG 4.42Å; F226-L246 HydrophobicContact CZ-CD2 4.26Å; L242-L246 HydrophobicContact CD1-CG 4.26Å; L242-L246 HydrophobicContact CG-CD1 4.27Å; L242-L246 HydrophobicContact CG-CG 4.38Å; L242-L246 WeakPolarHBondContact O-CG 3.42Å; L242-L246 PolarHBondContact O-N 3Å; R243-L246 PolarHBondContact O-N 2.92Å; D244-L246 VanDerWaalsContact C-N 3.34Å; D244-L246 PolarHBondContact O-N 2.87Å; L246-N250 WeakPolarHBondContact O-CB 3.47Å; L246-F262 HydrophobicContact CD1-CD2 4.42Å; L246-F262 HydrophobicContact CD1-CE2 4.16Å; L246-I265 HydrophobicContact CD1-CD1 4.42Å; L246-I265 HydrophobicContact CD1-CG2 4.15Å; L246-F274 HydrophobicContact CD2-CE1 3.61Å; L246-F274 HydrophobicContact CD2-CZ 4Å |
| 247 | F | 86.8 | Confident | 79 | Confident | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -98.7 | -42.3 | -169 | -60.3 | -33.6 | 0 | 0 | 0 | 114 | Y122 R243 Y249 C251 Y252 P253 V261 F262 I265 | Y122-F247 HydrophobicContact CE1-CE1 4.01Å; Y122-F247 HydrophobicContact CE2-CD1 4.42Å; Y122-F247 HydrophobicContact CE2-CE1 4.49Å; Y122-F247 AromaticContact CZ-CD1 3.94Å; Y122-F247 AromaticContact CZ-CE1 3.82Å; R243-F247 HydrophobicContact CG-CD2 3.69Å; R243-F247 HydrophobicContact CG-CE2 3.94Å; R243-F247 PolarHBondContact O-N 3.33Å; F247-Y249 VanDerWaalsContact C-N 3.33Å; F247-C251 WeakPolarHBondContact CA-O 3.5Å; F247-C251 CarbonylContact O-C 3.56Å; F247-C251 PolarHBondContact O-N 2.99Å; F247-Y252 HydrophobicContact CB-CD2 3.83Å; F247-Y252 HydrophobicContact CB-CE2 4.31Å; F247-Y252 PolarHBondContact O-N 3.02Å; F247-P253 HydrophobicContact CD1-CG 4.42Å; F247-P253 HydrophobicContact CD2-CG 4.21Å; F247-P253 HydrophobicContact CE1-CG 4.37Å; F247-P253 HydrophobicContact CE2-CG 4.14Å; F247-P253 HydrophobicContact CG-CG 4.36Å; F247-P253 HydrophobicContact CZ-CG 4.23Å; F247-V261 HydrophobicContact CE1-CG1 4.19Å; F247-V261 HydrophobicContact CZ-CB 4.45Å; F247-V261 HydrophobicContact CZ-CG1 3.99Å; F247-F262 HydrophobicContact CE2-CB 3.95Å; F247-F262 HydrophobicContact CE2-CD2 4.07Å; F247-F262 HydrophobicContact CE2-CG 4.37Å; F247-F262 HydrophobicContact CZ-CB 4.08Å; F247-F262 HydrophobicContact CZ-CD2 4.2Å; F247-I265 HydrophobicContact CE1-CD1 4.25Å; F247-I265 HydrophobicContact CZ-CD1 4.34Å |
| 248 | K | 80.4 | Confident | 79.8 | Confident | 86 Ų | 86 | 53.2 Ų | 53.2 | 37% | 0.374 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -34.9 | -179.9 | -171.9 | -178.9 | 174.9 | -170.5 | 0 | 111.4 | D244 F498 | D244-K248 WeakPolarHBondContact O-CA 3.19Å; D244-K248 WeakPolarHBondContact O-CB 3.5Å; D244-K248 PolarHBondContact O-N 3.18Å; K248-F498 WeakPolarHBondContact O-CD1 3.39Å |
| 249 | Y | 77.4 | Confident | 80.3 | Confident | 22 Ų | 22 | 51.4 Ų | 51.4 | 9% | 0.086 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 17.1 | -176.4 | -52.6 | -83.2 | 0 | 0 | 0 | 114.3 | F234 I240 D244 L245 F247 F498 | F234-Y249 HydrophobicContact CE1-CD1 4.26Å; F234-Y249 AromaticContact CE1-CE1 3.43Å; F234-Y249 HydrophobicContact CE1-CE1 3.43Å; F234-Y249 VanDerWaalsContact CE1-CE1 3.43Å; F234-Y249 HydrophobicContact CE1-CE2 4.06Å; F234-Y249 AromaticContact CE1-CZ 3.3Å; F234-Y249 VanDerWaalsContact CE1-OH 3.24Å; F234-Y249 WeakPolarHBondContact CE1-OH 3.34Å; F234-Y249 AromaticContact CZ-CD1 3.99Å; F234-Y249 HydrophobicContact CZ-CD1 3.99Å; F234-Y249 HydrophobicContact CZ-CD2 4.41Å; F234-Y249 AromaticContact CZ-CE1 3.62Å; F234-Y249 HydrophobicContact CZ-CE1 3.62Å; F234-Y249 HydrophobicContact CZ-CE2 4.03Å; F234-Y249 HydrophobicContact CZ-CG 4.38Å; F234-Y249 AromaticContact CZ-CZ 3.63Å; I240-Y249 HydrophobicContact CD1-CE2 4.33Å; I240-Y249 HydrophobicContact CG2-CE2 4.42Å; D244-Y249 WeakPolarHBondContact O-CD2 3.34Å; L245-Y249 HydrophobicContact CD1-CD2 4.45Å; F247-Y249 VanDerWaalsContact C-N 3.33Å; Y249-F498 AromaticContact CD1-CD2 3.8Å; Y249-F498 HydrophobicContact CD1-CD2 3.8Å; Y249-F498 AromaticContact CD1-CE2 3.71Å; Y249-F498 HydrophobicContact CD1-CE2 3.71Å; Y249-F498 HydrophobicContact CD1-CZ 4.41Å; Y249-F498 HydrophobicContact CG-CE2 4.3Å; Y249-F498 WeakPolarHBondContact O-CE1 3.45Å; Y249-F498 WeakPolarHBondContact O-CZ 3.4Å |
| 250 | N | 80.9 | Confident | 80.5 | Confident | 30 Ų | 30 | 49.7 Ų | 49.7 | 16% | 0.16 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -138 | -78.8 | 163.1 | -73.3 | -95.5 | 0 | 0 | 0 | 110.1 | F224 K225 F226 L246 | F224-N250 HydrophobicContact CD1-CB 4.2Å; K225-N250 PolarHBondContact N-OD1 2.98Å; K225-N250 VanDerWaalsContact N-OD1 3.1Å; K225-N250 PolarHBondContact O-OD1 2.95Å; F226-N250 WeakPolarHBondContact CE1-ND2 3.47Å; F226-N250 VanDerWaalsContact CZ-ND2 3.27Å; F226-N250 WeakPolarHBondContact CZ-ND2 3.34Å; L246-N250 WeakPolarHBondContact O-CB 3.47Å |
| 251 | C | 82.4 | Confident | 80.6 | Confident | 6 Ų | 6 | 49.3 Ų | 49.3 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | trans | -147.9 | 132 | -174.9 | 171.9 | 0 | 0 | 0 | 0 | 108.6 | Y122 K125 E129 F247 | Y122-C251 HydrophobicContact CE2-CB 4.06Å; Y122-C251 VanDerWaalsContact CE2-O 3.32Å; Y122-C251 WeakPolarHBondContact CE2-O 3.25Å; Y122-C251 PolarHBondContact OH-O 2.68Å; Y122-C251 VanDerWaalsContact OH-O 3.09Å; K125-C251 VanDerWaalsContact CD-SG 3.54Å; K125-C251 VanDerWaalsContact CE-SG 3.56Å; E129-C251 VanDerWaalsContact OE2-CB 3.22Å; E129-C251 WeakPolarHBondContact OE2-CB 3.42Å; E129-C251 PolarHBondContact OE2-SG 3.22Å; E129-C251 VanDerWaalsContact OE2-SG 3.34Å; F247-C251 WeakPolarHBondContact CA-O 3.5Å; F247-C251 CarbonylContact O-C 3.56Å; F247-C251 PolarHBondContact O-N 2.99Å | ||
| 252 | Y | 83.1 | Confident | 80.6 | Confident | 129 Ų | 129 | 49 Ų | 49 | 51% | 0.506 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -90.2 | 135.5 | 177.6 | -160.9 | -87.9 | 0 | 0 | 0 | 111.2 | K125 F247 D254 | K125-Y252 PolarHBondContact NZ-O 3.15Å; F247-Y252 HydrophobicContact CB-CD2 3.83Å; F247-Y252 HydrophobicContact CB-CE2 4.31Å; F247-Y252 PolarHBondContact O-N 3.02Å; Y252-D254 PolarHBondContact O-N 2.71Å |
| 253 | P | 83.2 | Confident | 80.5 | Confident | 5 Ų | 5 | 53.3 Ų | 53.3 | 3% | 0.032 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 125.4 | 176.4 | 27.3 | -33.2 | 0 | 0 | 0 | 111.8 | Y122 F247 D256 V261 | Y122-P253 HydrophobicContact CD2-CB 3.74Å; Y122-P253 HydrophobicContact CE2-CB 4.27Å; Y122-P253 HydrophobicContact CG-CB 4.14Å; F247-P253 HydrophobicContact CD1-CG 4.42Å; F247-P253 HydrophobicContact CD2-CG 4.21Å; F247-P253 HydrophobicContact CE1-CG 4.37Å; F247-P253 HydrophobicContact CE2-CG 4.14Å; F247-P253 HydrophobicContact CG-CG 4.36Å; F247-P253 HydrophobicContact CZ-CG 4.23Å; P253-D256 HydrophobicContact CB-CB 4.12Å; P253-D256 HydrophobicContact CG-CB 4.39Å; P253-V261 HydrophobicContact CB-CG2 4.21Å |
| 254 | D | 78 | Confident | 80.4 | Confident | 84 Ų | 84 | 52.6 Ų | 52.6 | 45% | 0.449 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 128.9 | 178.4 | -63.1 | -33.3 | 0 | 0 | 0 | 110.6 | K125 Y252 | K125-D254 VanDerWaalsContact CD-OD2 3.32Å; K125-D254 WeakPolarHBondContact CD-OD2 3.25Å; K125-D254 WeakPolarHBondContact CE-OD2 3.44Å; K125-D254 IonicContact NZ-OD1 3.16Å; K125-D254 PolarHBondContact NZ-OD1 3.1Å; K125-D254 IonicContact NZ-OD2 3.95Å; K125-D254 PolarHBondContact NZ-OD2 3.31Å; Y252-D254 PolarHBondContact O-N 2.71Å |
| 255 | H | 68 | Low | 80.6 | Confident | 160 Ų | 160 | 50.1 Ų | 50.1 | 74% | 0.741 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 49.2 | 174.8 | -59.1 | -78.9 | 0 | 0 | 0 | 114.4 | P257 | H255-P257 VanDerWaalsContact C-CD 3.5Å; H255-P257 VanDerWaalsContact O-CD 3.26Å; H255-P257 WeakPolarHBondContact O-CD 3.37Å |
| 256 | D | 72.8 | Confident | 80.7 | Confident | 20 Ų | 20 | 53 Ų | 53 | 11% | 0.107 | 26% | 0.263 | C | S | . | . | trans | -110.5 | 78 | 171.5 | -176.6 | 19.3 | 0 | 0 | 0 | 110.7 | P253 D258 N259 E260 V261 | P253-D256 HydrophobicContact CB-CB 4.12Å; P253-D256 HydrophobicContact CG-CB 4.39Å; D256-D258 VanDerWaalsContact C-N 3.3Å; D256-D258 PolarHBondContact O-N 3.19Å; D256-N259 WeakPolarHBondContact OD1-CA 3.23Å; D256-N259 PolarHBondContact OD1-N 2.82Å; D256-N259 VanDerWaalsContact OD1-N 3.12Å; D256-N259 VanDerWaalsContact OD2-CA 3.29Å; D256-N259 WeakPolarHBondContact OD2-CA 3.44Å; D256-E260 PolarHBondContact OD1-N 3.49Å; D256-E260 PolarHBondContact OD2-N 3.4Å; D256-V261 WeakPolarHBondContact OD2-CB 3.38Å; D256-V261 WeakPolarHBondContact OD2-CG2 3.43Å; D256-V261 PolarHBondContact OD2-N 2.75Å | ||
| 257 | P | 62.6 | Low | 80.7 | Confident | 107 Ų | 107 | 62.2 Ų | 62.2 | 70% | 0.695 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -28.7 | -175.7 | 28.6 | -34.2 | 0 | 0 | 0 | 112.9 | H255 | H255-P257 VanDerWaalsContact C-CD 3.5Å; H255-P257 VanDerWaalsContact O-CD 3.26Å; H255-P257 WeakPolarHBondContact O-CD 3.37Å |
| 258 | D | 68.7 | Low | 80.7 | Confident | 114 Ų | 114 | 65 Ų | 65 | 61% | 0.61 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | 3.7 | -174.1 | -63.1 | -46.9 | 0 | 0 | 0 | 113.2 | D256 E260 | D256-D258 VanDerWaalsContact C-N 3.3Å; D256-D258 PolarHBondContact O-N 3.19Å; D258-E260 HydrophobicContact CB-CG 4.13Å; D258-E260 PolarHBondContact O-N 3.46Å |
| 259 | N | 78.9 | Confident | 81.1 | Confident | 49 Ų | 49 | 61.9 Ų | 61.9 | 26% | 0.262 | 30% | 0.299 | S | S | . | . | trans | 59.4 | 30.2 | -178.7 | -50.8 | -51.1 | 0 | 0 | 0 | 114.3 | R243 D256 V261 F262 D263 | R243-N259 PolarHBondContact NH1-ND2 3.08Å; R243-N259 VanDerWaalsContact NH1-ND2 3.15Å; R243-N259 PolarHBondContact NH1-OD1 3.36Å; R243-N259 PolarHBondContact NH2-OD1 2.88Å; D256-N259 WeakPolarHBondContact OD1-CA 3.23Å; D256-N259 PolarHBondContact OD1-N 2.82Å; D256-N259 VanDerWaalsContact OD1-N 3.12Å; D256-N259 VanDerWaalsContact OD2-CA 3.29Å; D256-N259 WeakPolarHBondContact OD2-CA 3.44Å; N259-V261 PolarHBondContact O-N 3.27Å; N259-V261 VanDerWaalsContact O-N 3.14Å; N259-F262 PolarHBondContact O-N 3.22Å; N259-F262 VanDerWaalsContact O-N 3.08Å; N259-D263 PolarHBondContact O-N 3.48Å; N259-D263 VanDerWaalsContact O-N 3.09Å | ||
| 260 | E | 81.6 | Confident | 81.7 | Confident | 91 Ų | 91 | 64 Ų | 64 | 43% | 0.425 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.6 | -32.4 | -176.2 | -63.4 | -167.9 | 175.3 | 0 | 0 | 112 | P118 D256 D258 Y264 | P118-E260 WeakPolarHBondContact CG-OE2 3.42Å; D256-E260 PolarHBondContact OD1-N 3.49Å; D256-E260 PolarHBondContact OD2-N 3.4Å; D258-E260 HydrophobicContact CB-CG 4.13Å; D258-E260 PolarHBondContact O-N 3.46Å; E260-Y264 VanDerWaalsContact O-CB 3.31Å; E260-Y264 WeakPolarHBondContact O-CB 3.33Å; E260-Y264 PolarHBondContact O-N 3.18Å |
| 261 | V | 85.6 | Confident | 82.1 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.006 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.1 | -44.3 | 179.3 | 178.2 | 0 | 0 | 0 | 0 | 110.9 | P118 Y122 F222 F247 P253 D256 N259 Y264 I265 | P118-V261 HydrophobicContact CB-CG2 4.27Å; Y122-V261 HydrophobicContact CD1-CG1 3.32Å; Y122-V261 HydrophobicContact CE1-CG1 3.84Å; Y122-V261 HydrophobicContact CG-CG1 3.89Å; F222-V261 HydrophobicContact CZ-CG1 4.36Å; F247-V261 HydrophobicContact CE1-CG1 4.19Å; F247-V261 HydrophobicContact CZ-CB 4.45Å; F247-V261 HydrophobicContact CZ-CG1 3.99Å; P253-V261 HydrophobicContact CB-CG2 4.21Å; D256-V261 WeakPolarHBondContact OD2-CB 3.38Å; D256-V261 WeakPolarHBondContact OD2-CG2 3.43Å; D256-V261 PolarHBondContact OD2-N 2.75Å; N259-V261 PolarHBondContact O-N 3.27Å; N259-V261 VanDerWaalsContact O-N 3.14Å; V261-Y264 PolarHBondContact O-N 3.39Å; V261-I265 HydrophobicContact CG1-CD1 4.22Å; V261-I265 WeakPolarHBondContact O-CG1 3.28Å; V261-I265 PolarHBondContact O-N 3.09Å; V261-I265 VanDerWaalsContact O-N 3.11Å |
| 262 | F | 87.9 | Confident | 82.6 | Confident | 5 Ų | 5 | 64.6 Ų | 64.6 | 2% | 0.022 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.2 | -43.5 | -180 | -171.2 | -113.4 | 0 | 0 | 0 | 111.1 | R243 L246 F247 N259 Y264 I265 L266 P297 | R243-F262 HydrophobicContact CB-CD2 4.12Å; R243-F262 HydrophobicContact CB-CE1 4.36Å; R243-F262 HydrophobicContact CB-CE2 3.7Å; R243-F262 HydrophobicContact CB-CZ 3.83Å; R243-F262 HydrophobicContact CG-CD2 4.2Å; R243-F262 HydrophobicContact CG-CE2 4.3Å; R243-F262 HydrophobicContact CG-CG 4.49Å; L246-F262 HydrophobicContact CD1-CD2 4.42Å; L246-F262 HydrophobicContact CD1-CE2 4.16Å; F247-F262 HydrophobicContact CE2-CB 3.95Å; F247-F262 HydrophobicContact CE2-CD2 4.07Å; F247-F262 HydrophobicContact CE2-CG 4.37Å; F247-F262 HydrophobicContact CZ-CB 4.08Å; F247-F262 HydrophobicContact CZ-CD2 4.2Å; N259-F262 PolarHBondContact O-N 3.22Å; N259-F262 VanDerWaalsContact O-N 3.08Å; F262-Y264 VanDerWaalsContact C-N 3.29Å; F262-Y264 PolarHBondContact O-N 3.36Å; F262-I265 WeakPolarHBondContact O-CB 3.44Å; F262-I265 PolarHBondContact O-N 2.75Å; F262-I265 VanDerWaalsContact O-N 3.14Å; F262-L266 HydrophobicContact CD1-CD1 3.95Å; F262-L266 HydrophobicContact CD1-CG 4.39Å; F262-L266 HydrophobicContact CE1-CD1 3.64Å; F262-L266 HydrophobicContact CE1-CG 4.17Å; F262-L266 HydrophobicContact CZ-CD1 4.23Å; F262-L266 HydrophobicContact CZ-CD2 4.29Å; F262-L266 HydrophobicContact CZ-CG 4.37Å; F262-L266 WeakPolarHBondContact O-CG 3.48Å; F262-L266 PolarHBondContact O-N 3.33Å; F262-P297 HydrophobicContact CE1-CB 4.36Å; F262-P297 HydrophobicContact CZ-CB 3.93Å |
| 263 | D | 85.7 | Confident | 83.1 | Confident | 90 Ų | 90 | 58.4 Ų | 58.4 | 48% | 0.481 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.1 | -37.7 | 177.1 | -74.8 | -6.5 | 0 | 0 | 0 | 112 | N259 L266 R267 | N259-D263 PolarHBondContact O-N 3.48Å; N259-D263 VanDerWaalsContact O-N 3.09Å; D263-L266 PolarHBondContact O-N 2.97Å; D263-R267 WeakPolarHBondContact O-CB 3.47Å; D263-R267 PolarHBondContact O-N 2.97Å |
| 264 | Y | 86 | Confident | 83.6 | Confident | 49 Ų | 49 | 58.2 Ų | 58.2 | 19% | 0.192 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 174 | -171.7 | -80.7 | 0 | 0 | 0 | 111.9 | I119 I221 F222 E260 V261 F262 L266 R267 F268 | I119-Y264 HydrophobicContact CD1-CD2 3.24Å; I119-Y264 HydrophobicContact CD1-CE2 3.72Å; I119-Y264 HydrophobicContact CD1-CG 3.72Å; I119-Y264 HydrophobicContact CG1-CD2 4.19Å; I119-Y264 HydrophobicContact CG1-CG 4.18Å; I119-Y264 HydrophobicContact CG2-CD1 4.46Å; I119-Y264 HydrophobicContact CG2-CE1 4.47Å; I221-Y264 HydrophobicContact CD1-CE1 4.05Å; I221-Y264 VanDerWaalsContact CD1-OH 3.28Å; I221-Y264 WeakPolarHBondContact CD1-OH 3.47Å; F222-Y264 AromaticContact CE2-CD1 3.79Å; F222-Y264 HydrophobicContact CE2-CD1 3.79Å; F222-Y264 HydrophobicContact CE2-CE1 4.16Å; F222-Y264 HydrophobicContact CZ-CD1 4.48Å; E260-Y264 VanDerWaalsContact O-CB 3.31Å; E260-Y264 WeakPolarHBondContact O-CB 3.33Å; E260-Y264 PolarHBondContact O-N 3.18Å; V261-Y264 PolarHBondContact O-N 3.39Å; F262-Y264 VanDerWaalsContact C-N 3.29Å; F262-Y264 PolarHBondContact O-N 3.36Å; Y264-L266 VanDerWaalsContact C-N 3.32Å; Y264-L266 PolarHBondContact O-N 3.28Å; Y264-R267 PolarHBondContact O-N 3.3Å; Y264-F268 HydrophobicContact CD1-CB 4.44Å; Y264-F268 HydrophobicContact CD1-CD2 4.05Å; Y264-F268 AromaticContact CD2-CD2 3.77Å; Y264-F268 HydrophobicContact CD2-CD2 3.77Å; Y264-F268 AromaticContact CD2-CE2 4Å; Y264-F268 HydrophobicContact CD2-CE2 4Å; Y264-F268 HydrophobicContact CE1-CB 4.06Å; Y264-F268 AromaticContact CE1-CD2 3.85Å; Y264-F268 HydrophobicContact CE1-CD2 3.85Å; Y264-F268 HydrophobicContact CE1-CG 4.33Å; Y264-F268 AromaticContact CE2-CD2 3.58Å; Y264-F268 HydrophobicContact CE2-CD2 3.58Å; Y264-F268 AromaticContact CE2-CE2 3.75Å; Y264-F268 HydrophobicContact CE2-CE2 3.75Å; Y264-F268 HydrophobicContact CG-CD2 4.04Å; Y264-F268 AromaticContact CZ-CD2 3.63Å; Y264-F268 PolarHBondContact O-N 2.97Å |
| 265 | I | 89.5 | Confident | 84.4 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60 | -42.3 | 177.4 | -72.7 | 165.8 | 0 | 0 | 0 | 111 | F222 F224 L246 F247 V261 F262 R267 F268 V272 L316 | F222-I265 HydrophobicContact CD2-CD1 4.21Å; F222-I265 HydrophobicContact CD2-CG1 3.63Å; F222-I265 HydrophobicContact CE2-CD1 4.29Å; F222-I265 HydrophobicContact CE2-CG1 3.63Å; F222-I265 HydrophobicContact CG-CG1 4.41Å; F222-I265 HydrophobicContact CZ-CG1 4.43Å; F224-I265 HydrophobicContact CE2-CD1 4.22Å; F224-I265 HydrophobicContact CZ-CD1 3.89Å; L246-I265 HydrophobicContact CD1-CD1 4.42Å; L246-I265 HydrophobicContact CD1-CG2 4.15Å; F247-I265 HydrophobicContact CE1-CD1 4.25Å; F247-I265 HydrophobicContact CZ-CD1 4.34Å; V261-I265 HydrophobicContact CG1-CD1 4.22Å; V261-I265 WeakPolarHBondContact O-CG1 3.28Å; V261-I265 PolarHBondContact O-N 3.09Å; V261-I265 VanDerWaalsContact O-N 3.11Å; F262-I265 WeakPolarHBondContact O-CB 3.44Å; F262-I265 PolarHBondContact O-N 2.75Å; F262-I265 VanDerWaalsContact O-N 3.14Å; I265-R267 VanDerWaalsContact C-N 3.34Å; I265-F268 CarbonylContact O-C 3.32Å; I265-V272 HydrophobicContact CG2-CG2 4.16Å; I265-L316 HydrophobicContact CG2-CD1 4.17Å; I265-L316 HydrophobicContact CG2-CD2 3.91Å |
| 266 | L | 88.4 | Confident | 85.6 | Confident | 60 Ų | 60 | 46.7 Ų | 46.7 | 31% | 0.314 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.8 | -36.5 | 176.8 | -67.7 | -178.7 | 0 | 0 | 0 | 112.5 | F262 D263 Y264 P297 L316 | F262-L266 HydrophobicContact CD1-CD1 3.95Å; F262-L266 HydrophobicContact CD1-CG 4.39Å; F262-L266 HydrophobicContact CE1-CD1 3.64Å; F262-L266 HydrophobicContact CE1-CG 4.17Å; F262-L266 HydrophobicContact CZ-CD1 4.23Å; F262-L266 HydrophobicContact CZ-CD2 4.29Å; F262-L266 HydrophobicContact CZ-CG 4.37Å; F262-L266 WeakPolarHBondContact O-CG 3.48Å; F262-L266 PolarHBondContact O-N 3.33Å; D263-L266 PolarHBondContact O-N 2.97Å; Y264-L266 VanDerWaalsContact C-N 3.32Å; Y264-L266 PolarHBondContact O-N 3.28Å; L266-P297 HydrophobicContact CD1-CB 4.38Å; L266-P297 HydrophobicContact CD1-CG 4.3Å; L266-P297 HydrophobicContact CD2-CB 3.76Å; L266-P297 HydrophobicContact CD2-CG 3.51Å; L266-L316 HydrophobicContact CD2-CD2 3.9Å |
| 267 | R | 86.5 | Confident | 86.4 | Confident | 194 Ų | 194 | 47.2 Ų | 47.2 | 73% | 0.732 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -77.1 | -33.7 | -179.3 | -171.9 | 173.5 | -179.2 | 169 | 3.6 | 113.4 | D263 Y264 I265 P269 | D263-R267 WeakPolarHBondContact O-CB 3.47Å; D263-R267 PolarHBondContact O-N 2.97Å; Y264-R267 PolarHBondContact O-N 3.3Å; I265-R267 VanDerWaalsContact C-N 3.34Å; R267-P269 VanDerWaalsContact C-CD 3.42Å; R267-P269 WeakPolarHBondContact O-CD 3.37Å |
| 268 | F | 86.8 | Confident | 87.5 | Confident | 62 Ų | 62 | 42.3 Ų | 42.3 | 27% | 0.272 | 20% | 0.202 | S | C | . | . | trans | -127.5 | 64.8 | -176 | -57.8 | -72.2 | 0 | 0 | 0 | 112 | Y264 I265 D270 K271 | Y264-F268 HydrophobicContact CD1-CB 4.44Å; Y264-F268 HydrophobicContact CD1-CD2 4.05Å; Y264-F268 AromaticContact CD2-CD2 3.77Å; Y264-F268 HydrophobicContact CD2-CD2 3.77Å; Y264-F268 AromaticContact CD2-CE2 4Å; Y264-F268 HydrophobicContact CD2-CE2 4Å; Y264-F268 HydrophobicContact CE1-CB 4.06Å; Y264-F268 AromaticContact CE1-CD2 3.85Å; Y264-F268 HydrophobicContact CE1-CD2 3.85Å; Y264-F268 HydrophobicContact CE1-CG 4.33Å; Y264-F268 AromaticContact CE2-CD2 3.58Å; Y264-F268 HydrophobicContact CE2-CD2 3.58Å; Y264-F268 AromaticContact CE2-CE2 3.75Å; Y264-F268 HydrophobicContact CE2-CE2 3.75Å; Y264-F268 HydrophobicContact CG-CD2 4.04Å; Y264-F268 AromaticContact CZ-CD2 3.63Å; Y264-F268 PolarHBondContact O-N 2.97Å; I265-F268 CarbonylContact O-C 3.32Å; F268-D270 PolarHBondContact O-N 2.8Å; F268-K271 HydrophobicContact CB-CB 4.48Å; F268-K271 HydrophobicContact CB-CG 4.01Å; F268-K271 WeakPolarHBondContact O-CB 3.27Å; F268-K271 PolarHBondContact O-N 3.4Å; F268-K271 VanDerWaalsContact O-N 3.15Å | ||
| 269 | P | 89.4 | Confident | 88.3 | Confident | 22 Ų | 22 | 38.4 Ų | 38.4 | 14% | 0.143 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -63.8 | -26.1 | -179.3 | 25.9 | -34.7 | 0 | 0 | 0 | 112.9 | R267 K271 V272 L316 K317 S319 | R267-P269 VanDerWaalsContact C-CD 3.42Å; R267-P269 WeakPolarHBondContact O-CD 3.37Å; P269-K271 PolarHBondContact O-N 3.38Å; P269-V272 WeakPolarHBondContact O-CB 3.28Å; P269-V272 PolarHBondContact O-N 3.36Å; P269-L316 HydrophobicContact CB-CB 4.16Å; P269-L316 HydrophobicContact CB-CD2 4.33Å; P269-K317 WeakPolarHBondContact CB-O 3.5Å; P269-K317 WeakPolarHBondContact CG-O 3.09Å; P269-S319 WeakPolarHBondContact O-CA 3.1Å; P269-S319 WeakPolarHBondContact O-CB 3.44Å |
| 270 | D | 89.2 | Confident | 88.2 | Confident | 67 Ų | 67 | 37.6 Ų | 37.6 | 36% | 0.358 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -59.9 | -23.3 | 175.5 | 61.3 | -58.6 | 0 | 0 | 0 | 113.3 | F268 V272 | F268-D270 PolarHBondContact O-N 2.8Å; D270-V272 PolarHBondContact O-N 3Å |
| 271 | K | 89.1 | Confident | 88 | Confident | 47 Ų | 47 | 34.6 Ų | 34.6 | 20% | 0.204 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -83.4 | 6.8 | 176.9 | -56.9 | -61.5 | 169.7 | -164.9 | 0 | 113.9 | D219 A220 I221 F222 F268 P269 | D219-K271 WeakPolarHBondContact O-CD 3.25Å; D219-K271 PolarHBondContact O-NZ 3.41Å; D219-K271 IonicContact OD2-NZ 2.73Å; D219-K271 PolarHBondContact OD2-NZ 3.23Å; A220-K271 CarbonylContact C-O 3.41Å; A220-K271 WeakPolarHBondContact CA-O 3.29Å; I221-K271 HydrophobicContact CB-CB 4.28Å; I221-K271 HydrophobicContact CD1-CB 4.14Å; I221-K271 HydrophobicContact CD1-CD 4.22Å; I221-K271 HydrophobicContact CD1-CG 4.09Å; I221-K271 HydrophobicContact CG1-CB 4.17Å; I221-K271 HydrophobicContact CG1-CD 4.36Å; I221-K271 HydrophobicContact CG1-CG 4.48Å; I221-K271 PolarHBondContact N-O 2.86Å; F222-K271 PolarHBondContact N-O 3.2Å; F222-K271 VanDerWaalsContact N-O 3.07Å; F268-K271 HydrophobicContact CB-CB 4.48Å; F268-K271 HydrophobicContact CB-CG 4.01Å; F268-K271 WeakPolarHBondContact O-CB 3.27Å; F268-K271 PolarHBondContact O-N 3.4Å; F268-K271 VanDerWaalsContact O-N 3.15Å; P269-K271 PolarHBondContact O-N 3.38Å |
| 272 | V | 92.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 132.5 | -175.7 | -170.4 | 0 | 0 | 0 | 0 | 111.2 | F222 F224 I265 P269 D270 F274 S319 K320 | F222-V272 HydrophobicContact CB-CG1 4.4Å; F222-V272 HydrophobicContact CB-CG2 4.38Å; F222-V272 HydrophobicContact CD2-CG2 4.25Å; F222-V272 WeakPolarHBondContact O-CA 3.32Å; F224-V272 HydrophobicContact CD2-CG1 3.55Å; F224-V272 HydrophobicContact CE2-CG1 3.72Å; I265-V272 HydrophobicContact CG2-CG2 4.16Å; P269-V272 WeakPolarHBondContact O-CB 3.28Å; P269-V272 PolarHBondContact O-N 3.36Å; D270-V272 PolarHBondContact O-N 3Å; V272-F274 HydrophobicContact CB-CE2 4.23Å; V272-F274 HydrophobicContact CG1-CD2 4.1Å; V272-F274 HydrophobicContact CG1-CE1 4.22Å; V272-F274 HydrophobicContact CG1-CE2 3.46Å; V272-F274 VanDerWaalsContact CG1-CE2 3.46Å; V272-F274 HydrophobicContact CG1-CZ 3.52Å; V272-S319 WeakPolarHBondContact O-CB 3.46Å; V272-K320 PolarHBondContact O-N 3Å |
| 273 | V | 93.7 | Very high | 86.1 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 130.7 | 171.4 | 176.7 | 0 | 0 | 0 | 0 | 109.8 | A220 F222 F223 F224 K320 | A220-V273 HydrophobicContact CB-CB 4.45Å; A220-V273 HydrophobicContact CB-CG2 3.46Å; A220-V273 VanDerWaalsContact CB-CG2 3.46Å; F222-V273 PolarHBondContact O-N 2.75Å; F223-V273 WeakPolarHBondContact CA-O 3.28Å; F223-V273 HydrophobicContact CD2-CB 3.93Å; F223-V273 HydrophobicContact CD2-CG1 4.01Å; F223-V273 HydrophobicContact CE1-CG1 4.32Å; F223-V273 HydrophobicContact CE2-CB 4.03Å; F223-V273 HydrophobicContact CE2-CG1 3.6Å; F223-V273 HydrophobicContact CG-CB 4.38Å; F223-V273 HydrophobicContact CZ-CG1 3.77Å; F224-V273 PolarHBondContact N-O 2.93Å; V273-K320 CarbonylContact C-O 3.47Å; V273-K320 WeakPolarHBondContact CA-O 3.32Å; V273-K320 HydrophobicContact CG2-CB 4.07Å; V273-K320 HydrophobicContact CG2-CD 4.22Å |
| 274 | F | 94.9 | Very high | 85 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 135.8 | 173.3 | -66.5 | -78.4 | 0 | 0 | 0 | 111 | F224 F226 L246 V272 F276 L316 K320 K321 I322 | F224-F274 HydrophobicContact CB-CD1 3.64Å; F224-F274 HydrophobicContact CB-CE1 3.68Å; F224-F274 HydrophobicContact CD2-CD1 4.29Å; F224-F274 AromaticContact CD2-CE1 3.63Å; F224-F274 HydrophobicContact CD2-CE1 3.63Å; F224-F274 HydrophobicContact CD2-CZ 4.03Å; F224-F274 HydrophobicContact CG-CD1 4.35Å; F224-F274 AromaticContact CG-CE1 3.9Å; F224-F274 HydrophobicContact CG-CE1 3.9Å; F224-F274 WeakPolarHBondContact O-CA 2.83Å; F226-F274 HydrophobicContact CD2-CD1 4.08Å; F226-F274 AromaticContact CE2-CD1 3.67Å; F226-F274 HydrophobicContact CE2-CD1 3.67Å; F226-F274 AromaticContact CE2-CE1 3.87Å; F226-F274 HydrophobicContact CE2-CE1 3.87Å; L246-F274 HydrophobicContact CD2-CE1 3.61Å; L246-F274 HydrophobicContact CD2-CZ 4Å; V272-F274 HydrophobicContact CB-CE2 4.23Å; V272-F274 HydrophobicContact CG1-CD2 4.1Å; V272-F274 HydrophobicContact CG1-CE1 4.22Å; V272-F274 HydrophobicContact CG1-CE2 3.46Å; V272-F274 VanDerWaalsContact CG1-CE2 3.46Å; V272-F274 HydrophobicContact CG1-CZ 3.52Å; F274-F276 HydrophobicContact CB-CD2 4.18Å; F274-F276 HydrophobicContact CB-CE2 3.52Å; F274-F276 HydrophobicContact CB-CZ 4Å; F274-F276 HydrophobicContact CD1-CZ 4.32Å; F274-F276 HydrophobicContact CG-CE2 4.22Å; F274-F276 HydrophobicContact CG-CZ 4.31Å; F274-L316 HydrophobicContact CE2-CD1 3.85Å; F274-L316 HydrophobicContact CZ-CD1 3.53Å; F274-K320 PolarHBondContact N-O 3.16Å; F274-K321 HydrophobicContact CB-CG 4.15Å; F274-K321 HydrophobicContact CD2-CG 4.27Å; F274-K321 CarbonylContact O-C 3.34Å; F274-I322 PolarHBondContact O-N 3.16Å |
| 275 | T | 94.7 | Very high | 83.2 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 122.7 | 169.2 | 50.5 | 0 | 0 | 0 | 0 | 110 | L204 Q208 F223 F224 K225 F226 I322 | L204-T275 HydrophobicContact CD2-CG2 4.07Å; Q208-T275 PolarHBondContact NE2-OG1 3.18Å; F223-T275 HydrophobicContact CE1-CG2 3.39Å; F223-T275 HydrophobicContact CZ-CG2 3.53Å; F224-T275 PolarHBondContact O-N 2.76Å; F224-T275 PolarHBondContact O-OG1 2.83Å; K225-T275 WeakPolarHBondContact CA-OG1 3Å; F226-T275 PolarHBondContact N-O 3.19Å; T275-I322 HydrophobicContact CG2-CB 4.26Å; T275-I322 HydrophobicContact CG2-CD1 4.17Å |
| 276 | F | 92.6 | Very high | 81.5 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 107.6 | 179.8 | -66.3 | -73.7 | 0 | 0 | 0 | 108.8 | F226 F231 F274 L307 L311 K321 I322 L323 T324 | F226-F276 HydrophobicContact CB-CD1 3.62Å; F226-F276 HydrophobicContact CB-CE1 3.83Å; F226-F276 HydrophobicContact CD2-CD1 4.12Å; F226-F276 AromaticContact CD2-CE1 3.48Å; F226-F276 HydrophobicContact CD2-CE1 3.48Å; F226-F276 VanDerWaalsContact CD2-CE1 3.48Å; F226-F276 AromaticContact CD2-CZ 4Å; F226-F276 HydrophobicContact CD2-CZ 4Å; F226-F276 HydrophobicContact CE2-CE1 4.35Å; F226-F276 HydrophobicContact CG-CD1 4.32Å; F226-F276 HydrophobicContact CG-CE1 4.01Å; F226-F276 CarbonylContact O-C 3.58Å; F226-F276 WeakPolarHBondContact O-CA 3.39Å; F231-F276 HydrophobicContact CE2-CD1 4.4Å; F231-F276 HydrophobicContact CE2-CE1 4.4Å; F231-F276 HydrophobicContact CZ-CE1 4.38Å; F274-F276 HydrophobicContact CB-CD2 4.18Å; F274-F276 HydrophobicContact CB-CE2 3.52Å; F274-F276 HydrophobicContact CB-CZ 4Å; F274-F276 HydrophobicContact CD1-CZ 4.32Å; F274-F276 HydrophobicContact CG-CE2 4.22Å; F274-F276 HydrophobicContact CG-CZ 4.31Å; F276-L307 HydrophobicContact CD1-CD1 3.49Å; F276-L307 VanDerWaalsContact CD1-CD1 3.49Å; F276-L307 HydrophobicContact CE1-CD1 3.26Å; F276-L307 HydrophobicContact CG-CD1 4.27Å; F276-L307 HydrophobicContact CZ-CD1 3.86Å; F276-L311 HydrophobicContact CD2-CD2 3.77Å; F276-L311 HydrophobicContact CE2-CD2 3.83Å; F276-L311 HydrophobicContact CG-CD2 4.45Å; F276-K321 HydrophobicContact CE2-CB 4.4Å; F276-K321 HydrophobicContact CE2-CG 4.18Å; F276-I322 PolarHBondContact N-O 3.5Å; F276-L323 HydrophobicContact CB-CD1 3.43Å; F276-L323 VanDerWaalsContact CB-CD1 3.43Å; F276-L323 HydrophobicContact CG-CD1 4.32Å; F276-T324 PolarHBondContact O-N 2.94Å; F276-T324 PolarHBondContact O-OG1 2.94Å |
| 277 | D | 90.4 | Very high | 79.7 | Confident | 31 Ų | 31 | 47.5 Ų | 47.5 | 17% | 0.166 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 123 | -176.8 | -161.4 | 27 | 0 | 0 | 0 | 112.4 | S201 L204 F226 C228 T324 | S201-D277 WeakPolarHBondContact CB-OD2 3.23Å; S201-D277 PolarHBondContact OG-OD1 2.88Å; S201-D277 PolarHBondContact OG-OD2 3.33Å; L204-D277 HydrophobicContact CD1-CB 3.69Å; F226-D277 PolarHBondContact O-N 2.85Å; C228-D277 WeakPolarHBondContact CB-O 2.91Å; C228-D277 PolarHBondContact N-O 2.88Å; D277-T324 VanDerWaalsContact CA-OG1 3.28Å; D277-T324 WeakPolarHBondContact CA-OG1 3.35Å; D277-T324 PolarHBondContact OD1-OG1 3.31Å |
| 278 | G | 85.9 | Confident | 78 | Confident | 4 Ų | 4 | 39.9 Ų | 39.9 | 4% | 0.041 | 20% | 0.196 | C | C | . | . | trans | 81.3 | 52.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | C228 D280 E281 T324 | C228-G278 WeakPolarHBondContact CB-O 3.33Å; G278-D280 PolarHBondContact O-N 2.92Å; G278-D280 VanDerWaalsContact O-N 3.07Å; G278-E281 VanDerWaalsContact O-CB 3.32Å; G278-E281 WeakPolarHBondContact O-CB 2.99Å; G278-E281 WeakPolarHBondContact O-CG 3.47Å; G278-E281 PolarHBondContact O-N 3.14Å; G278-T324 PolarHBondContact N-O 3.47Å; G278-T324 PolarHBondContact N-OG1 2.97Å | ||
| 279 | Y | 84.6 | Confident | 76 | Confident | 32 Ų | 32 | 42.3 Ų | 42.3 | 13% | 0.125 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -53.7 | -29.3 | 177.7 | -172.2 | -108.1 | 0 | 0 | 0 | 113.5 | E281 I282 L311 L323 T324 I329 L331 | Y279-E281 PolarHBondContact O-N 3.26Å; Y279-I282 HydrophobicContact CD2-CD1 3.67Å; Y279-I282 HydrophobicContact CE2-CD1 3.82Å; Y279-I282 PolarHBondContact O-N 3.31Å; Y279-L311 HydrophobicContact CD2-CD1 4.5Å; Y279-L311 HydrophobicContact CE2-CD1 4.08Å; Y279-L323 HydrophobicContact CD2-CD1 3.88Å; Y279-L323 HydrophobicContact CD2-CD2 4.04Å; Y279-L323 HydrophobicContact CD2-CG 4.45Å; Y279-L323 HydrophobicContact CG-CD1 4.1Å; Y279-L323 HydrophobicContact CG-CD2 4.04Å; Y279-L323 HydrophobicContact CG-CG 4.34Å; Y279-T324 WeakPolarHBondContact CB-O 3.18Å; Y279-T324 PolarHBondContact N-O 3.49Å; Y279-I329 HydrophobicContact CD1-CG2 4.33Å; Y279-L331 HydrophobicContact CE1-CD1 4.43Å |
| 280 | D | 77.6 | Confident | 74.1 | Confident | 33 Ų | 33 | 47.3 Ų | 47.3 | 18% | 0.176 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -65.1 | -12.3 | 176.9 | 58.3 | -76.2 | 0 | 0 | 0 | 115 | G278 R326 I329 | G278-D280 PolarHBondContact O-N 2.92Å; G278-D280 VanDerWaalsContact O-N 3.07Å; D280-R326 HydrophobicContact CB-CB 4.49Å; D280-R326 HydrophobicContact CB-CG 4.23Å; D280-R326 WeakPolarHBondContact OD2-CD 3.5Å; D280-R326 WeakPolarHBondContact OD2-CG 3.5Å; D280-R326 IonicContact OD2-CZ 2.85Å; D280-R326 IonicContact OD2-NE 2.86Å; D280-R326 PolarHBondContact OD2-NE 2.95Å; D280-R326 IonicContact OD2-NH2 3.89Å; D280-I329 HydrophobicContact CB-CD1 3.24Å |
| 281 | E | 76.4 | Confident | 72.4 | Confident | 28 Ų | 28 | 46 Ų | 46 | 13% | 0.131 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -96.7 | -0.6 | -174.3 | -54.2 | 177.3 | 162.3 | 0 | 0 | 112.9 | R229 G278 Y279 | R229-E281 HydrophobicContact CB-CB 4.14Å; R229-E281 IonicContact CZ-OE1 3.85Å; R229-E281 IonicContact CZ-OE2 3.18Å; R229-E281 IonicContact NE-OE2 2.85Å; R229-E281 PolarHBondContact NE-OE2 3.49Å; R229-E281 IonicContact NH2-OE1 3.37Å; R229-E281 PolarHBondContact NH2-OE1 2.94Å; R229-E281 IonicContact NH2-OE2 2.68Å; R229-E281 PolarHBondContact NH2-OE2 3.47Å; G278-E281 VanDerWaalsContact O-CB 3.32Å; G278-E281 WeakPolarHBondContact O-CB 2.99Å; G278-E281 WeakPolarHBondContact O-CG 3.47Å; G278-E281 PolarHBondContact O-N 3.14Å; Y279-E281 PolarHBondContact O-N 3.26Å |
| 282 | I | 75.3 | Confident | 70.8 | Confident | 22 Ų | 22 | 47.5 Ų | 47.5 | 11% | 0.113 | 24% | 0.244 | C | C | . | . | trans | -75.7 | 124.1 | 174.5 | -58.8 | 173.6 | 0 | 0 | 0 | 108.7 | C228 Y279 I286 L304 L307 | C228-I282 HydrophobicContact CB-CD1 3.98Å; C228-I282 HydrophobicContact CB-CG1 3.85Å; Y279-I282 HydrophobicContact CD2-CD1 3.67Å; Y279-I282 HydrophobicContact CE2-CD1 3.82Å; Y279-I282 PolarHBondContact O-N 3.31Å; I282-I286 HydrophobicContact CG2-CD1 4.17Å; I282-L304 HydrophobicContact CG2-CD2 3.65Å; I282-L307 HydrophobicContact CD1-CD2 3.61Å | ||
| 283 | Q | 59.1 | Low | 69.2 | Low | 96 Ų | 96 | 54.1 Ų | 54.1 | 45% | 0.449 | 28% | 0.275 | S | S | . | . | trans | -82 | -20.1 | -171.3 | -66.1 | 177.9 | 3.1 | 0 | 0 | 114.5 | S232 G468 | S232-Q283 PolarHBondContact OG-N 3.36Å; Q283-G468 PolarHBondContact NE2-O 3.38Å | ||
| 284 | E | 61.1 | Low | 67.7 | Low | 103 Ų | 103 | 54.5 Ų | 54.5 | 48% | 0.481 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -93 | 133.6 | -179.3 | -67.6 | -174.3 | -167.9 | 0 | 0 | 112.1 | I286 L304 | E284-I286 PolarHBondContact O-N 3.46Å; E284-L304 HydrophobicContact CB-CD1 4Å; E284-L304 HydrophobicContact CG-CD1 4.01Å; E284-L304 WeakPolarHBondContact OE2-CD1 3.46Å |
| 285 | E | 49.8 | Very low | 66.2 | Low | 129 Ų | 129 | 59.6 Ų | 59.6 | 60% | 0.603 | 31% | 0.308 | S | S | * | . | trans | -67.9 | 105.8 | 171.3 | -91.5 | -176 | -166 | 0 | 0 | 109.3 | D287 P567 S568 | E285-D287 PolarHBondContact O-N 3.45Å; E285-P567 HydrophobicContact CG-CB 4.05Å; E285-P567 VanDerWaalsContact OE1-CA 3.3Å; E285-P567 WeakPolarHBondContact OE1-CA 3.41Å; E285-S568 WeakPolarHBondContact OE1-CB 3.19Å; E285-S568 PolarHBondContact OE1-N 3.48Å; E285-S568 PolarHBondContact OE1-OG 3.46Å | ||
| 286 | I | 53.8 | Low | 65.3 | Low | 38 Ų | 38 | 61.4 Ų | 61.4 | 20% | 0.195 | 32% | 0.321 | C | S | . | . | trans | -83.4 | 102.2 | 173.6 | -60.8 | 168.7 | 0 | 0 | 0 | 108.5 | I282 E284 L288 V291 L304 L308 | I282-I286 HydrophobicContact CG2-CD1 4.17Å; E284-I286 PolarHBondContact O-N 3.46Å; I286-L288 HydrophobicContact CG2-CD2 4.39Å; I286-L288 HydrophobicContact CG2-CG 4.34Å; I286-L288 PolarHBondContact O-N 2.9Å; I286-L288 VanDerWaalsContact O-N 3.14Å; I286-V291 HydrophobicContact CG2-CG2 4.41Å; I286-L304 HydrophobicContact CD1-CD2 4.41Å; I286-L308 HydrophobicContact CB-CD1 4.08Å; I286-L308 HydrophobicContact CB-CD2 4.3Å; I286-L308 HydrophobicContact CD1-CD1 3.84Å; I286-L308 HydrophobicContact CD1-CD2 3.7Å; I286-L308 HydrophobicContact CD1-CG 3.92Å; I286-L308 HydrophobicContact CG1-CD1 3.92Å; I286-L308 HydrophobicContact CG1-CD2 4.41Å; I286-L308 HydrophobicContact CG2-CD1 3.1Å; I286-L308 HydrophobicContact CG2-CD2 3.47Å; I286-L308 VanDerWaalsContact CG2-CD2 3.47Å; I286-L308 HydrophobicContact CG2-CG 3.8Å | ||
| 287 | D | 49.3 | Very low | 64.6 | Low | 87 Ų | 87 | 62.8 Ų | 62.8 | 47% | 0.465 | 33% | 0.33 | S | S | . | . | trans | -77.2 | 95.1 | 162.8 | -169.3 | 6.1 | 0 | 0 | 0 | 109.1 | E285 M289 N290 V291 | E285-D287 PolarHBondContact O-N 3.45Å; D287-M289 PolarHBondContact O-N 3.2Å; D287-M289 WeakPolarHBondContact OD1-CB 3.48Å; D287-M289 PolarHBondContact OD1-N 3.04Å; D287-N290 PolarHBondContact O-N 3.12Å; D287-N290 VanDerWaalsContact O-N 3.09Å; D287-N290 PolarHBondContact OD2-ND2 2.84Å; D287-V291 VanDerWaalsContact O-CG2 3.31Å; D287-V291 WeakPolarHBondContact O-CG2 3.17Å | ||
| 288 | L | 51.8 | Low | 64 | Low | 34 Ų | 34 | 68 Ų | 68 | 18% | 0.178 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | -10.9 | 176.3 | -74.3 | 164 | 0 | 0 | 0 | 113.8 | I286 L308 L331 Q332 | I286-L288 HydrophobicContact CG2-CD2 4.39Å; I286-L288 HydrophobicContact CG2-CG 4.34Å; I286-L288 PolarHBondContact O-N 2.9Å; I286-L288 VanDerWaalsContact O-N 3.14Å; L288-L308 HydrophobicContact CD2-CD2 3.84Å; L288-L331 HydrophobicContact CD1-CD1 3.9Å; L288-Q332 HydrophobicContact CD1-CG 4.01Å |
| 289 | M | 44.1 | Very low | 63.8 | Low | 114 Ų | 114 | 72 Ų | 72 | 56% | 0.562 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -20 | -178.9 | -59.3 | -57.2 | -64.4 | 0 | 0 | 114.1 | D287 Q332 R334 | D287-M289 PolarHBondContact O-N 3.2Å; D287-M289 WeakPolarHBondContact OD1-CB 3.48Å; D287-M289 PolarHBondContact OD1-N 3.04Å; M289-Q332 PolarHBondContact SD-NE2 3.05Å; M289-R334 PolarHBondContact SD-NH2 2.85Å; M289-R334 VanDerWaalsContact SD-NH2 3.44Å |
| 290 | N | 49.3 | Very low | 63.7 | Low | 127 Ų | 127 | 76.9 Ų | 76.9 | 68% | 0.679 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -129.9 | 25.5 | -169.2 | -75.1 | -40.8 | 0 | 0 | 0 | 114.3 | D287 | D287-N290 PolarHBondContact O-N 3.12Å; D287-N290 VanDerWaalsContact O-N 3.09Å; D287-N290 PolarHBondContact OD2-ND2 2.84Å |
| 291 | V | 53.3 | Low | 63.8 | Low | 38 Ų | 38 | 75.7 Ų | 75.7 | 23% | 0.23 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -82.7 | 128.2 | -178.5 | -169 | 0 | 0 | 0 | 0 | 110.6 | I286 D287 E293 Q305 L308 | I286-V291 HydrophobicContact CG2-CG2 4.41Å; D287-V291 VanDerWaalsContact O-CG2 3.31Å; D287-V291 WeakPolarHBondContact O-CG2 3.17Å; V291-E293 PolarHBondContact O-N 3.2Å; V291-Q305 HydrophobicContact CG1-CB 4.48Å; V291-Q305 HydrophobicContact CG1-CG 4.1Å; V291-L308 HydrophobicContact CG1-CD1 4.25Å; V291-L308 HydrophobicContact CG2-CD1 4Å |
| 292 | P | 56.7 | Low | 64 | Low | 80 Ų | 80 | 76 Ų | 76 | 52% | 0.519 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 135.7 | 170.6 | -21.2 | 31.3 | 0 | 0 | 0 | 110.9 | V294 | P292-V294 PolarHBondContact O-N 3.48Š|
| 293 | E | 58.7 | Low | 64.3 | Low | 138 Ų | 138 | 75 Ų | 75 | 65% | 0.645 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -78.4 | 121.4 | -170.7 | -51.3 | -162.2 | 120.2 | 0 | 0 | 111.6 | V291 V295 K314 | V291-E293 PolarHBondContact O-N 3.2Å; E293-V295 HydrophobicContact CB-CG2 3.99Å; E293-K314 IonicContact OE1-NZ 2.82Å; E293-K314 PolarHBondContact OE1-NZ 3.24Å |
| 294 | V | 63.5 | Low | 65.2 | Low | 8 Ų | 8 | 70.8 Ų | 70.8 | 5% | 0.048 | 37% | 0.368 | C | S | . | . | trans | -96.7 | 106.8 | 162 | -172.3 | 0 | 0 | 0 | 0 | 107.2 | P292 S296 D299 A301 Q305 L306 L315 | P292-V294 PolarHBondContact O-N 3.48Å; V294-S296 WeakPolarHBondContact CG1-O 3.41Å; V294-D299 HydrophobicContact CG1-CB 4.39Å; V294-A301 HydrophobicContact CG1-CB 4.3Å; V294-A301 HydrophobicContact CG2-CB 3.45Å; V294-A301 VanDerWaalsContact CG2-CB 3.45Å; V294-Q305 HydrophobicContact CG2-CB 4.23Å; V294-L306 HydrophobicContact CG1-CD2 4.03Å; V294-L315 HydrophobicContact CG1-CD1 4.49Å | ||
| 295 | V | 62.7 | Low | 66.1 | Low | 107 Ų | 107 | 68.5 Ų | 68.5 | 65% | 0.648 | 36% | 0.358 | S | S | * | . | trans | -100.5 | -30.4 | -177.5 | -174.4 | 0 | 0 | 0 | 0 | 110.9 | E293 | E293-V295 HydrophobicContact CB-CG2 3.99Š| ||
| 296 | S | 75.4 | Confident | 67.7 | Low | 40 Ų | 40 | 62.4 Ų | 62.4 | 28% | 0.28 | 33% | 0.329 | S | S | . | . | trans | -94.6 | 133.1 | 178.9 | -171.2 | 0 | 0 | 0 | 0 | 111.9 | V294 E298 D299 | V294-S296 WeakPolarHBondContact CG1-O 3.41Å; S296-E298 PolarHBondContact O-N 3.32Å; S296-E298 PolarHBondContact OG-N 3.31Å; S296-D299 VanDerWaalsContact CB-CG 3.41Å; S296-D299 WeakPolarHBondContact CB-OD2 3.47Å; S296-D299 PolarHBondContact O-N 2.78Å | ||
| 297 | P | 77.6 | Confident | 69.2 | Low | 30 Ų | 30 | 60.6 Ų | 60.6 | 20% | 0.195 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -23.6 | 170.3 | -25.5 | 35.7 | 0 | 0 | 0 | 115 | L242 F262 L266 L315 | L242-P297 HydrophobicContact CB-CB 4.38Å; L242-P297 VanDerWaalsContact CB-O 3.31Å; L242-P297 WeakPolarHBondContact CB-O 3.44Å; L242-P297 HydrophobicContact CD2-CB 4.02Å; L242-P297 PolarHBondContact N-O 3.18Å; F262-P297 HydrophobicContact CE1-CB 4.36Å; F262-P297 HydrophobicContact CZ-CB 3.93Å; L266-P297 HydrophobicContact CD1-CB 4.38Å; L266-P297 HydrophobicContact CD1-CG 4.3Å; L266-P297 HydrophobicContact CD2-CB 3.76Å; L266-P297 HydrophobicContact CD2-CG 3.51Å; P297-L315 HydrophobicContact CG-CD2 4.43Å |
| 298 | E | 77.4 | Confident | 70.7 | Confident | 140 Ų | 140 | 56.9 Ų | 56.9 | 65% | 0.654 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -15.6 | -176 | -61.5 | -169.5 | 177.1 | 0 | 0 | 113.4 | S296 K300 | S296-E298 PolarHBondContact O-N 3.32Å; S296-E298 PolarHBondContact OG-N 3.31Å; E298-K300 PolarHBondContact O-N 3.08Å |
| 299 | D | 82.4 | Confident | 72.3 | Confident | 87 Ų | 87 | 55.5 Ų | 55.5 | 47% | 0.465 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -68.4 | 132.4 | -179.7 | -70.3 | -17.4 | 0 | 0 | 0 | 110.1 | V294 S296 A301 | V294-D299 HydrophobicContact CG1-CB 4.39Å; S296-D299 VanDerWaalsContact CB-CG 3.41Å; S296-D299 WeakPolarHBondContact CB-OD2 3.47Å; S296-D299 PolarHBondContact O-N 2.78Å; D299-A301 PolarHBondContact O-N 2.95Å |
| 300 | K | 82.4 | Confident | 74.3 | Confident | 136 Ų | 136 | 50.1 Ų | 50.1 | 59% | 0.591 | 27% | 0.266 | S | S | * | . | trans | -77.5 | 121.5 | 173.1 | -62.4 | -170.5 | 177.2 | -173.4 | 0 | 109 | Q239 I240 E298 | Q239-K300 HydrophobicContact CB-CB 3.76Å; I240-K300 WeakPolarHBondContact O-CA 3.39Å; E298-K300 PolarHBondContact O-N 3.08Å | ||
| 301 | A | 80.6 | Confident | 76.1 | Confident | 7 Ų | 7 | 44.3 Ų | 44.3 | 6% | 0.058 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -132.9 | 171.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q239 I240 V294 D299 L306 | Q239-A301 WeakPolarHBondContact CA-O 3.33Å; I240-A301 PolarHBondContact N-O 3.37Å; I240-A301 PolarHBondContact O-N 3.27Å; I240-A301 VanDerWaalsContact O-O 3.12Å; V294-A301 HydrophobicContact CG1-CB 4.3Å; V294-A301 HydrophobicContact CG2-CB 3.45Å; V294-A301 VanDerWaalsContact CG2-CB 3.45Å; D299-A301 PolarHBondContact O-N 2.95Å; A301-L306 HydrophobicContact CB-CD2 4.25Å; A301-L306 HydrophobicContact CB-CG 4.22Å |
| 302 | N | 80.8 | Confident | 77.3 | Confident | 35 Ų | 35 | 44.6 Ų | 44.6 | 19% | 0.187 | 24% | 0.239 | C | C | . | . | trans | -65.4 | 141.9 | 169.9 | -179.4 | -75.1 | 0 | 0 | 0 | 109.5 | L304 Q305 L306 | N302-L304 VanDerWaalsContact C-N 3.27Å; N302-L304 PolarHBondContact O-N 3.31Å; N302-L304 WeakPolarHBondContact OD1-CB 3.32Å; N302-L304 PolarHBondContact OD1-N 3.01Å; N302-Q305 HydrophobicContact CB-CB 4.5Å; N302-Q305 HydrophobicContact CB-CG 4.13Å; N302-Q305 WeakPolarHBondContact O-CB 3.49Å; N302-Q305 PolarHBondContact O-N 3.48Å; N302-L306 PolarHBondContact O-N 3.1Å; N302-L306 VanDerWaalsContact O-N 3.11Å | ||
| 303 | S | 80.3 | Confident | 78.4 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.007 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.6 | -37 | -176.5 | 64.7 | 0 | 0 | 0 | 0 | 113.4 | F231 F234 L306 L307 | F231-S303 WeakPolarHBondContact CD1-O 3.47Å; F231-S303 PolarHBondContact O-OG 2.91Å; F234-S303 WeakPolarHBondContact CD2-OG 3.46Å; S303-L306 PolarHBondContact O-N 3.11Å; S303-L307 PolarHBondContact O-N 3.48Å |
| 304 | L | 78.5 | Confident | 79.6 | Confident | 7 Ų | 7 | 39.5 Ų | 39.5 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69.2 | -37.6 | 176.3 | -68.7 | 167 | 0 | 0 | 0 | 111.6 | F231 I282 E284 I286 N302 L306 L307 L308 | F231-L304 HydrophobicContact CB-CD2 3.58Å; F231-L304 HydrophobicContact CB-CG 4.27Å; I282-L304 HydrophobicContact CG2-CD2 3.65Å; E284-L304 HydrophobicContact CB-CD1 4Å; E284-L304 HydrophobicContact CG-CD1 4.01Å; E284-L304 WeakPolarHBondContact OE2-CD1 3.46Å; I286-L304 HydrophobicContact CD1-CD2 4.41Å; N302-L304 VanDerWaalsContact C-N 3.27Å; N302-L304 PolarHBondContact O-N 3.31Å; N302-L304 WeakPolarHBondContact OD1-CB 3.32Å; N302-L304 PolarHBondContact OD1-N 3.01Å; L304-L306 VanDerWaalsContact C-N 3.34Å; L304-L306 PolarHBondContact O-N 3.46Å; L304-L307 PolarHBondContact O-N 2.98Å; L304-L308 WeakPolarHBondContact O-CD1 3.39Å; L304-L308 WeakPolarHBondContact O-CG 3.08Å; L304-L308 PolarHBondContact O-N 3.37Å |
| 305 | Q | 79.3 | Confident | 80.6 | Confident | 56 Ų | 56 | 39.2 Ų | 39.2 | 26% | 0.262 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.2 | -39.2 | 175.4 | -66 | 175.1 | -20.4 | 0 | 0 | 111.7 | V291 V294 N302 L308 S309 | V291-Q305 HydrophobicContact CG1-CB 4.48Å; V291-Q305 HydrophobicContact CG1-CG 4.1Å; V294-Q305 HydrophobicContact CG2-CB 4.23Å; N302-Q305 HydrophobicContact CB-CB 4.5Å; N302-Q305 HydrophobicContact CB-CG 4.13Å; N302-Q305 WeakPolarHBondContact O-CB 3.49Å; N302-Q305 PolarHBondContact O-N 3.48Å; Q305-L308 PolarHBondContact O-N 3.1Å; Q305-S309 WeakPolarHBondContact O-CB 3.43Å; Q305-S309 PolarHBondContact O-N 3.31Å; Q305-S309 PolarHBondContact O-OG 3.33Å |
| 306 | L | 83.7 | Confident | 81.8 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.9 | -47.9 | 173.7 | -72.5 | 179.6 | 0 | 0 | 0 | 112.2 | I240 L245 V294 A301 N302 S303 L304 L308 S309 L310 L315 | I240-L306 HydrophobicContact CD1-CD1 4.16Å; I240-L306 HydrophobicContact CG1-CD1 3.82Å; I240-L306 WeakPolarHBondContact O-CD1 3.42Å; L245-L306 HydrophobicContact CD2-CB 4.33Å; L245-L306 HydrophobicContact CD2-CD1 4.46Å; V294-L306 HydrophobicContact CG1-CD2 4.03Å; A301-L306 HydrophobicContact CB-CD2 4.25Å; A301-L306 HydrophobicContact CB-CG 4.22Å; N302-L306 PolarHBondContact O-N 3.1Å; N302-L306 VanDerWaalsContact O-N 3.11Å; S303-L306 PolarHBondContact O-N 3.11Å; L304-L306 VanDerWaalsContact C-N 3.34Å; L304-L306 PolarHBondContact O-N 3.46Å; L306-L308 PolarHBondContact O-N 3.05Å; L306-S309 PolarHBondContact O-N 3.44Å; L306-L310 WeakPolarHBondContact O-CG 3.22Å; L306-L310 PolarHBondContact O-N 3.03Å; L306-L315 HydrophobicContact CD2-CD1 3.81Å |
| 307 | L | 85.7 | Confident | 82.4 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -53.5 | -45.5 | 177.1 | 173.6 | 62.7 | 0 | 0 | 0 | 110.7 | F231 F276 I282 S303 L304 L310 L311 | F231-L307 HydrophobicContact CB-CD2 4.49Å; F231-L307 HydrophobicContact CD1-CB 4.04Å; F231-L307 HydrophobicContact CD1-CD2 4.49Å; F231-L307 HydrophobicContact CD2-CD1 4.4Å; F231-L307 HydrophobicContact CD2-CD2 3.69Å; F231-L307 HydrophobicContact CD2-CG 4.42Å; F231-L307 HydrophobicContact CE1-CB 3.85Å; F231-L307 HydrophobicContact CE2-CB 4.3Å; F231-L307 HydrophobicContact CE2-CD1 3.74Å; F231-L307 HydrophobicContact CE2-CD2 3.9Å; F231-L307 HydrophobicContact CE2-CG 4.18Å; F231-L307 HydrophobicContact CG-CB 4.38Å; F231-L307 HydrophobicContact CG-CD2 3.99Å; F231-L307 HydrophobicContact CZ-CB 3.99Å; F231-L307 HydrophobicContact CZ-CD1 3.88Å; F231-L307 HydrophobicContact CZ-CD2 4.43Å; F231-L307 HydrophobicContact CZ-CG 4.31Å; F276-L307 HydrophobicContact CD1-CD1 3.49Å; F276-L307 VanDerWaalsContact CD1-CD1 3.49Å; F276-L307 HydrophobicContact CE1-CD1 3.26Å; F276-L307 HydrophobicContact CG-CD1 4.27Å; F276-L307 HydrophobicContact CZ-CD1 3.86Å; I282-L307 HydrophobicContact CD1-CD2 3.61Å; S303-L307 PolarHBondContact O-N 3.48Å; L304-L307 PolarHBondContact O-N 2.98Å; L307-L310 WeakPolarHBondContact O-CB 3.14Å; L307-L310 PolarHBondContact O-N 3.18Å; L307-L311 HydrophobicContact CD1-CD1 3.99Å; L307-L311 HydrophobicContact CD1-CG 4.09Å; L307-L311 HydrophobicContact CG-CD1 3.97Å; L307-L311 HydrophobicContact CG-CG 4.42Å; L307-L311 WeakPolarHBondContact O-CB 3.42Å; L307-L311 VanDerWaalsContact O-CG 3.29Å; L307-L311 WeakPolarHBondContact O-CG 3.44Å; L307-L311 PolarHBondContact O-N 3.12Å |
| 308 | L | 81.1 | Confident | 82.8 | Confident | 9 Ų | 9 | 41.1 Ų | 41.1 | 5% | 0.047 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -72.1 | -36.5 | -178.4 | -65.8 | 165 | 0 | 0 | 0 | 113.6 | I286 L288 V291 L304 Q305 L306 L310 L311 C312 | I286-L308 HydrophobicContact CB-CD1 4.08Å; I286-L308 HydrophobicContact CB-CD2 4.3Å; I286-L308 HydrophobicContact CD1-CD1 3.84Å; I286-L308 HydrophobicContact CD1-CD2 3.7Å; I286-L308 HydrophobicContact CD1-CG 3.92Å; I286-L308 HydrophobicContact CG1-CD1 3.92Å; I286-L308 HydrophobicContact CG1-CD2 4.41Å; I286-L308 HydrophobicContact CG2-CD1 3.1Å; I286-L308 HydrophobicContact CG2-CD2 3.47Å; I286-L308 VanDerWaalsContact CG2-CD2 3.47Å; I286-L308 HydrophobicContact CG2-CG 3.8Å; L288-L308 HydrophobicContact CD2-CD2 3.84Å; V291-L308 HydrophobicContact CG1-CD1 4.25Å; V291-L308 HydrophobicContact CG2-CD1 4Å; L304-L308 WeakPolarHBondContact O-CD1 3.39Å; L304-L308 WeakPolarHBondContact O-CG 3.08Å; L304-L308 PolarHBondContact O-N 3.37Å; Q305-L308 PolarHBondContact O-N 3.1Å; L306-L308 PolarHBondContact O-N 3.05Å; L308-L310 VanDerWaalsContact C-N 3.26Å; L308-L310 PolarHBondContact O-N 3Å; L308-L311 PolarHBondContact O-N 3.15Å; L308-C312 VanDerWaalsContact O-CB 3.27Å; L308-C312 WeakPolarHBondContact O-CB 3.24Å; L308-C312 PolarHBondContact O-N 3.39Å; L308-C312 PolarHBondContact O-SG 3.45Å; L308-C312 VanDerWaalsContact O-SG 3.34Å |
| 309 | S | 84.3 | Confident | 83.5 | Confident | 5 Ų | 5 | 34.6 Ų | 34.6 | 4% | 0.035 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66 | -33.4 | 174.9 | -58 | 0 | 0 | 0 | 0 | 110.8 | Q305 L306 G313 K314 L315 | Q305-S309 WeakPolarHBondContact O-CB 3.43Å; Q305-S309 PolarHBondContact O-N 3.31Å; Q305-S309 PolarHBondContact O-OG 3.33Å; L306-S309 PolarHBondContact O-N 3.44Å; S309-G313 PolarHBondContact O-N 3.12Å; S309-K314 WeakPolarHBondContact O-CA 2.93Å; S309-K314 WeakPolarHBondContact O-CB 3.31Å; S309-K314 PolarHBondContact O-N 3.46Å; S309-L315 PolarHBondContact O-N 3.33Å |
| 310 | L | 87.6 | Confident | 83.9 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.6 | -47.6 | 170.8 | -74.5 | 167.2 | 0 | 0 | 0 | 112.7 | L242 L245 L306 L307 L308 C312 G313 L315 L316 K321 | L242-L310 HydrophobicContact CD1-CD1 3.91Å; L242-L310 HydrophobicContact CD1-CD2 3.9Å; L242-L310 HydrophobicContact CD1-CG 4.22Å; L245-L310 HydrophobicContact CD2-CD1 3.84Å; L306-L310 WeakPolarHBondContact O-CG 3.22Å; L306-L310 PolarHBondContact O-N 3.03Å; L307-L310 WeakPolarHBondContact O-CB 3.14Å; L307-L310 PolarHBondContact O-N 3.18Å; L308-L310 VanDerWaalsContact C-N 3.26Å; L308-L310 PolarHBondContact O-N 3Å; L310-C312 VanDerWaalsContact C-N 3.34Å; L310-C312 PolarHBondContact O-N 3.34Å; L310-G313 PolarHBondContact O-N 2.85Å; L310-G313 VanDerWaalsContact O-N 3.16Å; L310-L315 HydrophobicContact CD2-CB 3.76Å; L310-L315 HydrophobicContact CG-CB 4.16Å; L310-L315 HydrophobicContact CG-CD1 4.45Å; L310-L316 HydrophobicContact CD2-CB 4.29Å; L310-L316 HydrophobicContact CD2-CD1 3.99Å; L310-L316 HydrophobicContact CD2-CG 4.28Å; L310-K321 WeakPolarHBondContact O-CE 3.11Å |
| 311 | L | 85.5 | Confident | 84.4 | Confident | 5 Ų | 5 | 26.9 Ų | 26.9 | 3% | 0.026 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.6 | -37.8 | -179.5 | -71.4 | 176.8 | 0 | 0 | 0 | 112.1 | I189 F276 Y279 L307 L308 G313 L323 | I189-L311 HydrophobicContact CD1-CB 4.05Å; I189-L311 HydrophobicContact CD1-CD2 4.05Å; I189-L311 WeakPolarHBondContact CD1-O 3.43Å; I189-L311 HydrophobicContact CG1-CD2 4.45Å; F276-L311 HydrophobicContact CD2-CD2 3.77Å; F276-L311 HydrophobicContact CE2-CD2 3.83Å; F276-L311 HydrophobicContact CG-CD2 4.45Å; Y279-L311 HydrophobicContact CD2-CD1 4.5Å; Y279-L311 HydrophobicContact CE2-CD1 4.08Å; L307-L311 HydrophobicContact CD1-CD1 3.99Å; L307-L311 HydrophobicContact CD1-CG 4.09Å; L307-L311 HydrophobicContact CG-CD1 3.97Å; L307-L311 HydrophobicContact CG-CG 4.42Å; L307-L311 WeakPolarHBondContact O-CB 3.42Å; L307-L311 VanDerWaalsContact O-CG 3.29Å; L307-L311 WeakPolarHBondContact O-CG 3.44Å; L307-L311 PolarHBondContact O-N 3.12Å; L308-L311 PolarHBondContact O-N 3.15Å; L311-G313 PolarHBondContact O-N 3.35Å; L311-L323 HydrophobicContact CD2-CD1 4.41Å; L311-L323 HydrophobicContact CD2-CD2 4.49Å |
| 312 | C | 80 | Confident | 85.1 | Confident | 45 Ų | 45 | 26.5 Ų | 26.5 | 30% | 0.304 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -3.8 | 176.4 | -68.9 | 0 | 0 | 0 | 0 | 114 | L308 L310 K314 | L308-C312 VanDerWaalsContact O-CB 3.27Å; L308-C312 WeakPolarHBondContact O-CB 3.24Å; L308-C312 PolarHBondContact O-N 3.39Å; L308-C312 PolarHBondContact O-SG 3.45Å; L308-C312 VanDerWaalsContact O-SG 3.34Å; L310-C312 VanDerWaalsContact C-N 3.34Å; L310-C312 PolarHBondContact O-N 3.34Å; C312-K314 VanDerWaalsContact C-N 3.28Å; C312-K314 HydrophobicContact CB-CG 4.38Å; C312-K314 PolarHBondContact O-N 3.02Å |
| 313 | G | 79.3 | Confident | 85.7 | Confident | 9 Ų | 9 | 24.9 Ų | 24.9 | 9% | 0.093 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 20.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | E188 S309 L310 L311 K317 | E188-G313 WeakPolarHBondContact OE2-CA 3.28Å; S309-G313 PolarHBondContact O-N 3.12Å; L310-G313 PolarHBondContact O-N 2.85Å; L310-G313 VanDerWaalsContact O-N 3.16Å; L311-G313 PolarHBondContact O-N 3.35Å; G313-K317 WeakPolarHBondContact O-CB 3.17Å |
| 314 | K | 83.1 | Confident | 86.3 | Confident | 101 Ų | 101 | 24.8 Ų | 24.8 | 44% | 0.439 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -74.7 | -39.6 | 170.7 | -66 | -168.4 | 179.3 | -169.4 | 0 | 110.5 | E293 S309 C312 | E293-K314 IonicContact OE1-NZ 2.82Å; E293-K314 PolarHBondContact OE1-NZ 3.24Å; S309-K314 WeakPolarHBondContact O-CA 2.93Å; S309-K314 WeakPolarHBondContact O-CB 3.31Å; S309-K314 PolarHBondContact O-N 3.46Å; C312-K314 VanDerWaalsContact C-N 3.28Å; C312-K314 HydrophobicContact CB-CG 4.38Å; C312-K314 PolarHBondContact O-N 3.02Å |
| 315 | L | 85.4 | Confident | 86.8 | Confident | 3 Ų | 3 | 24.5 Ų | 24.5 | 2% | 0.016 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -101 | 137.8 | 169.7 | -65.7 | 174.9 | 0 | 0 | 0 | 109.7 | V294 P297 L306 S309 L310 K317 | V294-L315 HydrophobicContact CG1-CD1 4.49Å; P297-L315 HydrophobicContact CG-CD2 4.43Å; L306-L315 HydrophobicContact CD2-CD1 3.81Å; S309-L315 PolarHBondContact O-N 3.33Å; L310-L315 HydrophobicContact CD2-CB 3.76Å; L310-L315 HydrophobicContact CG-CB 4.16Å; L310-L315 HydrophobicContact CG-CD1 4.45Å; L315-K317 PolarHBondContact O-N 3.48Å |
| 316 | L | 87.4 | Confident | 86.9 | Confident | 16 Ų | 16 | 22.3 Ų | 22.3 | 8% | 0.084 | 12% | 0.119 | C | C | . | . | S | Bend | trans | 50.9 | 50.3 | 178.5 | -59.6 | 176.5 | 0 | 0 | 0 | 113.3 | L242 I265 L266 P269 F274 L310 G318 S319 K321 | L242-L316 HydrophobicContact CD2-CD1 4.02Å; L242-L316 HydrophobicContact CD2-CD2 4.48Å; L242-L316 HydrophobicContact CD2-CG 3.99Å; I265-L316 HydrophobicContact CG2-CD1 4.17Å; I265-L316 HydrophobicContact CG2-CD2 3.91Å; L266-L316 HydrophobicContact CD2-CD2 3.9Å; P269-L316 HydrophobicContact CB-CB 4.16Å; P269-L316 HydrophobicContact CB-CD2 4.33Å; F274-L316 HydrophobicContact CE2-CD1 3.85Å; F274-L316 HydrophobicContact CZ-CD1 3.53Å; L310-L316 HydrophobicContact CD2-CB 4.29Å; L310-L316 HydrophobicContact CD2-CD1 3.99Å; L310-L316 HydrophobicContact CD2-CG 4.28Å; L316-G318 PolarHBondContact O-N 2.85Å; L316-S319 WeakPolarHBondContact O-CB 3.34Å; L316-S319 PolarHBondContact O-N 3.28Å; L316-S319 VanDerWaalsContact O-N 3.14Å; L316-S319 PolarHBondContact O-OG 3.11Å; L316-K321 PolarHBondContact O-NZ 3.41Å |
| 317 | K | 88 | Confident | 86.4 | Confident | 160 Ų | 160 | 23.5 Ų | 23.5 | 70% | 0.696 | 13% | 0.126 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 129.6 | 176.4 | -166.9 | 178.2 | -179.1 | 177 | 0 | 110.8 | E188 P269 G313 L315 | E188-K317 WeakPolarHBondContact OE1-CA 3.46Å; E188-K317 VanDerWaalsContact OE1-CG 3.25Å; E188-K317 WeakPolarHBondContact OE1-CG 3.38Å; P269-K317 WeakPolarHBondContact CB-O 3.5Å; P269-K317 WeakPolarHBondContact CG-O 3.09Å; G313-K317 WeakPolarHBondContact O-CB 3.17Å; L315-K317 PolarHBondContact O-N 3.48Å |
| 318 | G | 86.2 | Confident | 85.3 | Confident | 41 Ų | 41 | 26.8 Ų | 26.8 | 42% | 0.423 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 97.8 | -13.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115 | E188 L316 | E188-G318 PolarHBondContact OE1-N 2.93Å; L316-G318 PolarHBondContact O-N 2.85Å |
| 319 | S | 91.4 | Very high | 84.9 | Confident | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | trans | -68.5 | 150.2 | 172.1 | 56.3 | 0 | 0 | 0 | 0 | 111.9 | P269 V272 L316 K321 | P269-S319 WeakPolarHBondContact O-CA 3.1Å; P269-S319 WeakPolarHBondContact O-CB 3.44Å; V272-S319 WeakPolarHBondContact O-CB 3.46Å; L316-S319 WeakPolarHBondContact O-CB 3.34Å; L316-S319 PolarHBondContact O-N 3.28Å; L316-S319 VanDerWaalsContact O-N 3.14Å; L316-S319 PolarHBondContact O-OG 3.11Å; S319-K321 WeakPolarHBondContact O-CD 3.07Å; S319-K321 WeakPolarHBondContact O-CE 3.34Å; S319-K321 PolarHBondContact O-NZ 3.4Å; S319-K321 WeakPolarHBondContact OG-CE 3.48Å; S319-K321 PolarHBondContact OG-NZ 3.16Å | ||
| 320 | K | 91.1 | Very high | 84.1 | Confident | 60 Ų | 60 | 35.9 Ų | 35.9 | 26% | 0.261 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 128 | 179.4 | -65.8 | 172.1 | -176.1 | 166.2 | 0 | 109.4 | D219 V272 V273 F274 | D219-K320 IonicContact OD1-NZ 2.96Å; D219-K320 PolarHBondContact OD1-NZ 2.99Å; V272-K320 PolarHBondContact O-N 3Å; V273-K320 CarbonylContact C-O 3.47Å; V273-K320 WeakPolarHBondContact CA-O 3.32Å; V273-K320 HydrophobicContact CG2-CB 4.07Å; V273-K320 HydrophobicContact CG2-CD 4.22Å; F274-K320 PolarHBondContact N-O 3.16Å |
| 321 | K | 93.3 | Very high | 83.5 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 132.2 | 177.2 | -60.4 | 96.3 | -176 | 163.9 | 0 | 111.1 | E188 I189 I190 F274 F276 L310 L316 S319 | E188-K321 HydrophobicContact CB-CD 3.9Å; E188-K321 PolarHBondContact O-N 3.43Å; E188-K321 IonicContact OE2-NZ 3.64Å; E188-K321 PolarHBondContact OE2-NZ 3.44Å; I189-K321 CarbonylContact C-O 3.48Å; I189-K321 WeakPolarHBondContact CA-O 3.38Å; I189-K321 HydrophobicContact CG1-CB 4.33Å; I190-K321 PolarHBondContact N-O 3.48Å; F274-K321 HydrophobicContact CB-CG 4.15Å; F274-K321 HydrophobicContact CD2-CG 4.27Å; F274-K321 CarbonylContact O-C 3.34Å; F276-K321 HydrophobicContact CE2-CB 4.4Å; F276-K321 HydrophobicContact CE2-CG 4.18Å; L310-K321 WeakPolarHBondContact O-CE 3.11Å; L316-K321 PolarHBondContact O-NZ 3.41Å; S319-K321 WeakPolarHBondContact O-CD 3.07Å; S319-K321 WeakPolarHBondContact O-CE 3.34Å; S319-K321 PolarHBondContact O-NZ 3.4Å; S319-K321 WeakPolarHBondContact OG-CE 3.48Å; S319-K321 PolarHBondContact OG-NZ 3.16Å |
| 322 | I | 95.1 | Very high | 82.9 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 121.1 | 171.2 | -49.2 | 178.2 | 0 | 0 | 0 | 107.8 | L177 I190 V192 L204 L207 F274 T275 F276 | L177-I322 HydrophobicContact CD2-CD1 3.86Å; L177-I322 HydrophobicContact CD2-CG1 4.37Å; I190-I322 HydrophobicContact CB-CG1 4.43Å; I190-I322 HydrophobicContact CD1-CG1 4.31Å; I190-I322 WeakPolarHBondContact O-CA 3.26Å; V192-I322 HydrophobicContact CG2-CG2 3.93Å; L204-I322 HydrophobicContact CD2-CB 4.34Å; L204-I322 HydrophobicContact CD2-CG2 3.71Å; L207-I322 HydrophobicContact CD2-CD1 3.17Å; F274-I322 PolarHBondContact O-N 3.16Å; T275-I322 HydrophobicContact CG2-CB 4.26Å; T275-I322 HydrophobicContact CG2-CD1 4.17Å; F276-I322 PolarHBondContact N-O 3.5Å |
| 323 | L | 93.8 | Very high | 82.7 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 121.5 | -178.8 | -174.8 | 66.2 | 0 | 0 | 0 | 109.3 | I189 I190 Y191 V192 F276 Y279 L311 L331 | I189-L323 HydrophobicContact CG2-CB 3.72Å; I189-L323 HydrophobicContact CG2-CD2 4.41Å; I190-L323 PolarHBondContact O-N 2.98Å; Y191-L323 HydrophobicContact CD2-CB 4.34Å; Y191-L323 HydrophobicContact CD2-CD2 3.99Å; Y191-L323 HydrophobicContact CD2-CG 4.37Å; Y191-L323 HydrophobicContact CE2-CD2 3.88Å; Y191-L323 HydrophobicContact CE2-CG 4.4Å; V192-L323 PolarHBondContact N-O 3.34Å; F276-L323 HydrophobicContact CB-CD1 3.43Å; F276-L323 VanDerWaalsContact CB-CD1 3.43Å; F276-L323 HydrophobicContact CG-CD1 4.32Å; Y279-L323 HydrophobicContact CD2-CD1 3.88Å; Y279-L323 HydrophobicContact CD2-CD2 4.04Å; Y279-L323 HydrophobicContact CD2-CG 4.45Å; Y279-L323 HydrophobicContact CG-CD1 4.1Å; Y279-L323 HydrophobicContact CG-CD2 4.04Å; Y279-L323 HydrophobicContact CG-CG 4.34Å; L311-L323 HydrophobicContact CD2-CD1 4.41Å; L311-L323 HydrophobicContact CD2-CD2 4.49Å; L323-L331 HydrophobicContact CD2-CD2 3.91Å |
| 324 | T | 93.6 | Very high | 82.7 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 142.7 | 173.4 | 69 | 0 | 0 | 0 | 0 | 111.1 | V192 K200 L204 F276 D277 G278 Y279 | V192-T324 HydrophobicContact CB-CG2 4.18Å; V192-T324 HydrophobicContact CG1-CG2 4.47Å; V192-T324 CarbonylContact O-C 3.58Å; V192-T324 VanDerWaalsContact O-CA 3.27Å; V192-T324 WeakPolarHBondContact O-CA 3.42Å; K200-T324 HydrophobicContact CB-CG2 4.2Å; L204-T324 HydrophobicContact CD1-CG2 3.59Å; L204-T324 HydrophobicContact CD2-CG2 3.86Å; L204-T324 HydrophobicContact CG-CG2 3.72Å; F276-T324 PolarHBondContact O-N 2.94Å; F276-T324 PolarHBondContact O-OG1 2.94Å; D277-T324 VanDerWaalsContact CA-OG1 3.28Å; D277-T324 WeakPolarHBondContact CA-OG1 3.35Å; D277-T324 PolarHBondContact OD1-OG1 3.31Å; G278-T324 PolarHBondContact N-O 3.47Å; G278-T324 PolarHBondContact N-OG1 2.97Å; Y279-T324 WeakPolarHBondContact CB-O 3.18Å; Y279-T324 PolarHBondContact N-O 3.49Å |
| 325 | T | 88.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 172 | 178.2 | -172.6 | 0 | 0 | 0 | 0 | 111.2 | Y191 V192 M193 G194 K200 I329 | Y191-T325 HydrophobicContact CD2-CG2 4.4Å; Y191-T325 HydrophobicContact CE1-CG2 3.78Å; Y191-T325 HydrophobicContact CE2-CG2 3.57Å; Y191-T325 WeakPolarHBondContact OH-CG2 3.27Å; V192-T325 PolarHBondContact O-N 3.4Å; M193-T325 WeakPolarHBondContact CA-O 3.2Å; M193-T325 HydrophobicContact CB-CG2 4.28Å; M193-T325 HydrophobicContact CG-CG2 3.72Å; G194-T325 PolarHBondContact N-O 3.22Å; K200-T325 WeakPolarHBondContact CD-O 3.19Å; K200-T325 WeakPolarHBondContact CE-O 3.36Å; T325-I329 WeakPolarHBondContact OG1-CD1 3.47Å |
| 326 | R | 81.4 | Confident | 82.9 | Confident | 11 Ų | 11 | 41.7 Ų | 41.7 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | trans | -76 | 158.2 | 167.9 | -65.7 | -172.4 | -161.7 | -167.4 | 6.5 | 112.6 | G194 D280 I329 E572 | G194-R326 WeakPolarHBondContact O-CA 3.43Å; D280-R326 HydrophobicContact CB-CB 4.49Å; D280-R326 HydrophobicContact CB-CG 4.23Å; D280-R326 WeakPolarHBondContact OD2-CD 3.5Å; D280-R326 WeakPolarHBondContact OD2-CG 3.5Å; D280-R326 IonicContact OD2-CZ 2.85Å; D280-R326 IonicContact OD2-NE 2.86Å; D280-R326 PolarHBondContact OD2-NE 2.95Å; D280-R326 IonicContact OD2-NH2 3.89Å; R326-I329 HydrophobicContact CB-CD1 4.24Å; R326-E572 WeakPolarHBondContact CD-OE2 3.29Å; R326-E572 IonicContact CZ-OE2 2.65Å; R326-E572 IonicContact NE-OE2 3.49Å; R326-E572 IonicContact NH1-OE2 2.84Å; R326-E572 PolarHBondContact NH1-OE2 2.96Å | ||
| 327 | T | 71.9 | Confident | 83 | Confident | 26 Ų | 26 | 43.2 Ų | 43.2 | 16% | 0.16 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 143.5 | 171.5 | 54.1 | 0 | 0 | 0 | 0 | 110.4 | M193 D195 I329 | M193-T327 HydrophobicContact CB-CG2 4.43Å; D195-T327 WeakPolarHBondContact OD1-CB 3.45Å; D195-T327 VanDerWaalsContact OD1-CG2 3.24Å; D195-T327 WeakPolarHBondContact OD1-CG2 3.21Å; D195-T327 PolarHBondContact OD1-OG1 2.84Å; T327-I329 VanDerWaalsContact C-N 3.32Å; T327-I329 PolarHBondContact O-N 3.03Å |
| 328 | G | 63.7 | Low | 83.1 | Confident | 69 Ų | 69 | 35.7 Ų | 35.7 | 71% | 0.711 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | -0.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 329 | I | 72.1 | Confident | 83.3 | Confident | 35 Ų | 35 | 34.8 Ų | 34.8 | 18% | 0.179 | 18% | 0.182 | C | C | . | . | trans | -86.1 | 124.4 | 164.2 | -66.3 | 167.3 | 0 | 0 | 0 | 107.1 | Y191 Y279 D280 T325 R326 T327 T570 | Y191-I329 PolarHBondContact OH-O 2.86Å; Y279-I329 HydrophobicContact CD1-CG2 4.33Å; D280-I329 HydrophobicContact CB-CD1 3.24Å; T325-I329 WeakPolarHBondContact OG1-CD1 3.47Å; R326-I329 HydrophobicContact CB-CD1 4.24Å; T327-I329 VanDerWaalsContact C-N 3.32Å; T327-I329 PolarHBondContact O-N 3.03Å; I329-T570 HydrophobicContact CG1-CG2 4.3Å | ||
| 330 | E | 67.6 | Low | 83.3 | Confident | 170 Ų | 170 | 34.7 Ų | 34.7 | 79% | 0.794 | 18% | 0.181 | S | C | * | . | trans | -101.3 | 127.3 | -179.9 | -68.1 | -174.3 | 168.1 | 0 | 0 | 109.5 | ||||
| 331 | L | 73.9 | Confident | 83.1 | Confident | 17 Ų | 17 | 32.1 Ų | 32.1 | 9% | 0.089 | 17% | 0.171 | C | C | . | . | trans | -105.4 | 150 | 167.1 | -172.2 | 71.5 | 0 | 0 | 0 | 108 | I189 Y191 Y279 L288 L323 S333 V335 I336 | I189-L331 HydrophobicContact CD1-CD2 3.81Å; Y191-L331 HydrophobicContact CD2-CB 4.49Å; Y191-L331 HydrophobicContact CD2-CD2 4.12Å; Y191-L331 HydrophobicContact CE2-CB 3.89Å; Y191-L331 HydrophobicContact CE2-CD2 4.05Å; Y279-L331 HydrophobicContact CE1-CD1 4.43Å; L288-L331 HydrophobicContact CD1-CD1 3.9Å; L323-L331 HydrophobicContact CD2-CD2 3.91Å; L331-S333 PolarHBondContact O-N 2.93Å; L331-V335 HydrophobicContact CD2-CG2 3.8Å; L331-V335 HydrophobicContact CG-CG2 3.94Å; L331-I336 HydrophobicContact CB-CD1 4.06Å; L331-I336 HydrophobicContact CB-CG1 4.5Å; L331-I336 HydrophobicContact CD2-CG1 4.12Å; L331-I336 HydrophobicContact CG-CG1 4.5Å | ||
| 332 | Q | 73.3 | Confident | 82.9 | Confident | 59 Ų | 59 | 32.1 Ų | 32.1 | 28% | 0.276 | 17% | 0.171 | S | C | . | . | trans | -60.5 | 126.2 | -178.5 | -64.9 | 178.3 | -23.2 | 0 | 0 | 111.3 | L288 M289 R334 V335 | L288-Q332 HydrophobicContact CD1-CG 4.01Å; M289-Q332 PolarHBondContact SD-NE2 3.05Å; Q332-R334 HydrophobicContact CB-CG 4.11Å; Q332-R334 PolarHBondContact O-N 2.89Å; Q332-V335 WeakPolarHBondContact O-CG2 3.41Å; Q332-V335 PolarHBondContact O-N 2.68Å | ||
| 333 | S | 75.3 | Confident | 82.1 | Confident | 47 Ų | 47 | 34.8 Ų | 34.8 | 33% | 0.329 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -24.4 | -176.4 | -52.5 | 0 | 0 | 0 | 0 | 114.4 | D162 N184 L331 V335 I336 | D162-S333 WeakPolarHBondContact OD1-CB 3.44Å; D162-S333 PolarHBondContact OD1-OG 2.58Å; N184-S333 PolarHBondContact ND2-O 3.41Å; N184-S333 VanDerWaalsContact ND2-O 3.07Å; L331-S333 PolarHBondContact O-N 2.93Å; S333-V335 VanDerWaalsContact C-N 3.3Å; S333-V335 PolarHBondContact O-N 3.28Å; S333-I336 PolarHBondContact O-N 3.17Å |
| 334 | R | 80.4 | Confident | 81.6 | Confident | 141 Ų | 141 | 34.8 Ų | 34.8 | 53% | 0.532 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -31.3 | 179.4 | 68.3 | -177.4 | 175 | 172.3 | -0.3 | 114.2 | N184 M289 Q332 | N184-R334 PolarHBondContact ND2-O 3.15Å; M289-R334 PolarHBondContact SD-NH2 2.85Å; M289-R334 VanDerWaalsContact SD-NH2 3.44Å; Q332-R334 HydrophobicContact CB-CG 4.11Å; Q332-R334 PolarHBondContact O-N 2.89Å |
| 335 | V | 83.9 | Confident | 81.2 | Confident | 17 Ų | 17 | 35.5 Ų | 35.5 | 10% | 0.103 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -17 | -179.7 | -64.5 | 0 | 0 | 0 | 0 | 113 | G187 E188 I189 L331 Q332 S333 | G187-V335 WeakPolarHBondContact CA-O 3.41Å; E188-V335 PolarHBondContact N-O 3.21Å; I189-V335 HydrophobicContact CD1-CB 3.98Å; I189-V335 HydrophobicContact CD1-CG2 3.8Å; I189-V335 PolarHBondContact N-O 3.22Å; I189-V335 VanDerWaalsContact N-O 3.15Å; L331-V335 HydrophobicContact CD2-CG2 3.8Å; L331-V335 HydrophobicContact CG-CG2 3.94Å; Q332-V335 WeakPolarHBondContact O-CG2 3.41Å; Q332-V335 PolarHBondContact O-N 2.68Å; S333-V335 VanDerWaalsContact C-N 3.3Å; S333-V335 PolarHBondContact O-N 3.28Å |
| 336 | I | 88.5 | Confident | 80.8 | Confident | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 121.9 | -176.6 | -57.1 | 174.2 | 0 | 0 | 0 | 108.9 | F183 N184 I189 Y191 L331 S333 K338 | F183-I336 HydrophobicContact CE1-CG2 4.13Å; F183-I336 HydrophobicContact CZ-CB 4.1Å; F183-I336 HydrophobicContact CZ-CG2 3.65Å; N184-I336 VanDerWaalsContact CB-O 3.28Å; N184-I336 WeakPolarHBondContact CB-O 3.22Å; N184-I336 PolarHBondContact ND2-O 2.9Å; N184-I336 VanDerWaalsContact ND2-O 3.14Å; I189-I336 CarbonylContact O-C 3.28Å; Y191-I336 HydrophobicContact CD1-CD1 4.18Å; Y191-I336 HydrophobicContact CG-CD1 4.18Å; L331-I336 HydrophobicContact CB-CD1 4.06Å; L331-I336 HydrophobicContact CB-CG1 4.5Å; L331-I336 HydrophobicContact CD2-CG1 4.12Å; L331-I336 HydrophobicContact CG-CG1 4.5Å; S333-I336 PolarHBondContact O-N 3.17Å; I336-K338 VanDerWaalsContact CG2-O 3.3Å; I336-K338 WeakPolarHBondContact CG2-O 3.4Å |
| 337 | K | 90 | Very high | 80.6 | Confident | 47 Ų | 47 | 39.2 Ų | 39.2 | 20% | 0.204 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | -44.2 | 171.7 | -164.9 | 176 | 176.1 | -178.9 | 0 | 111.7 | E179 V182 F183 N184 G187 I189 | E179-K337 VanDerWaalsContact CD-NZ 3.31Å; E179-K337 IonicContact OE1-NZ 2.78Å; E179-K337 PolarHBondContact OE1-NZ 3.01Å; E179-K337 WeakPolarHBondContact OE2-CE 3.41Å; E179-K337 IonicContact OE2-NZ 3.74Å; E179-K337 PolarHBondContact OE2-NZ 3.15Å; V182-K337 HydrophobicContact CG1-CG 3.84Å; V182-K337 HydrophobicContact CG2-CD 4.42Å; V182-K337 HydrophobicContact CG2-CG 4.18Å; F183-K337 PolarHBondContact N-O 3.19Å; N184-K337 PolarHBondContact N-O 3.24Å; N184-K337 WeakPolarHBondContact O-CA 3.3Å; N184-K337 WeakPolarHBondContact O-CG 3.3Å; G187-K337 VanDerWaalsContact O-CB 3.3Å; G187-K337 WeakPolarHBondContact O-CB 3.24Å; G187-K337 WeakPolarHBondContact O-CG 3.49Å; I189-K337 PolarHBondContact O-N 3.29Å |
| 338 | K | 90.9 | Very high | 81.1 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.009 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 144.3 | -168.6 | 177.3 | 176.3 | 178.3 | 167.7 | 0 | 110.2 | L159 Q175 L176 D180 I189 Y191 I336 V340 | L159-K338 HydrophobicContact CD2-CD 4.31Å; L159-K338 HydrophobicContact CD2-CG 4.24Å; Q175-K338 PolarHBondContact O-NZ 3.04Å; L176-K338 PolarHBondContact O-NZ 2.95Å; D180-K338 WeakPolarHBondContact O-CD 3.47Å; D180-K338 WeakPolarHBondContact O-CE 3.42Å; D180-K338 PolarHBondContact O-NZ 2.75Å; I189-K338 PolarHBondContact O-N 3.02Å; Y191-K338 PolarHBondContact N-O 2.91Å; I336-K338 VanDerWaalsContact CG2-O 3.3Å; I336-K338 WeakPolarHBondContact CG2-O 3.4Å; K338-V340 HydrophobicContact CD-CG2 4.49Å; K338-V340 HydrophobicContact CG-CG2 4.18Å |
| 339 | K | 90.3 | Very high | 82.2 | Confident | 23 Ų | 23 | 42 Ų | 42 | 10% | 0.1 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 126.9 | -178.5 | -172.2 | 172.3 | -172.7 | 167.9 | 0 | 109.9 | F160 N164 F183 Y191 M193 | F160-K339 HydrophobicContact CB-CB 4.22Å; F160-K339 HydrophobicContact CB-CD 4.13Å; F160-K339 HydrophobicContact CB-CG 4.06Å; F160-K339 PolarHBondContact N-O 2.94Å; N164-K339 WeakPolarHBondContact OD1-CE 3.24Å; N164-K339 PolarHBondContact OD1-NZ 3.43Å; F183-K339 HydrophobicContact CE1-CB 3.87Å; Y191-K339 HydrophobicContact CD1-CG 4.39Å; Y191-K339 WeakPolarHBondContact O-CA 3.31Å; M193-K339 HydrophobicContact CE-CD 3.98Å; M193-K339 HydrophobicContact CE-CG 3.65Å; M193-K339 HydrophobicContact SD-CD 4.46Å; M193-K339 WeakPolarHBondContact SD-CE 3.44Å; M193-K339 HydrophobicContact SD-CG 4.37Å |
| 340 | V | 91 | Very high | 82.9 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 133.4 | -176.8 | -171 | 0 | 0 | 0 | 0 | 109.3 | M157 E158 L159 I170 L176 I190 Y191 V192 M193 K338 | M157-V340 HydrophobicContact CB-CG1 4.13Å; M157-V340 HydrophobicContact CG-CG1 4.29Å; E158-V340 CarbonylContact O-C 3.6Å; E158-V340 WeakPolarHBondContact O-CA 3.26Å; L159-V340 HydrophobicContact CD2-CG2 4.05Å; I170-V340 HydrophobicContact CD1-CG1 3.75Å; I170-V340 HydrophobicContact CD1-CG2 3.95Å; L176-V340 HydrophobicContact CD1-CB 4.46Å; L176-V340 HydrophobicContact CD1-CG1 4.45Å; L176-V340 HydrophobicContact CD1-CG2 3.77Å; I190-V340 HydrophobicContact CG2-CG2 4.4Å; Y191-V340 PolarHBondContact O-N 3.37Å; V192-V340 CarbonylContact C-O 3.41Å; V192-V340 WeakPolarHBondContact CA-O 3.5Å; V192-V340 HydrophobicContact CG2-CB 4.42Å; M193-V340 PolarHBondContact N-O 3.43Å; K338-V340 HydrophobicContact CD-CG2 4.49Å; K338-V340 HydrophobicContact CG-CG2 4.18Å |
| 341 | V | 87.3 | Confident | 83.9 | Confident | 7 Ų | 7 | 38.1 Ų | 38.1 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 126.8 | 174.4 | 178.8 | 0 | 0 | 0 | 0 | 109.8 | E158 F160 M193 R343 | E158-V341 PolarHBondContact N-O 3.24Å; E158-V341 PolarHBondContact O-N 2.81Å; F160-V341 HydrophobicContact CD2-CB 3.98Å; F160-V341 HydrophobicContact CD2-CG2 3.42Å; F160-V341 VanDerWaalsContact CD2-CG2 3.42Å; F160-V341 HydrophobicContact CE2-CB 3.72Å; F160-V341 HydrophobicContact CE2-CG2 3.47Å; F160-V341 VanDerWaalsContact CE2-CG2 3.47Å; F160-V341 HydrophobicContact CG-CG2 4.32Å; F160-V341 HydrophobicContact CZ-CG2 4.41Å; M193-V341 HydrophobicContact CE-CG2 3.21Å; M193-V341 CarbonylContact O-C 3.58Å; M193-V341 WeakPolarHBondContact O-CA 3.49Å; V341-R343 HydrophobicContact CG1-CG 4.38Å |
| 342 | L | 88 | Confident | 84.6 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 121.5 | 168.5 | -61.6 | 179.6 | 0 | 0 | 0 | 110.1 | M157 V192 M193 V198 K200 L203 | M157-L342 HydrophobicContact CB-CD2 4.45Å; M157-L342 HydrophobicContact CG-CD2 3.32Å; M157-L342 HydrophobicContact SD-CD2 4.3Å; V192-L342 HydrophobicContact CG1-CD1 3.92Å; V192-L342 HydrophobicContact CG1-CG 3.92Å; M193-L342 PolarHBondContact O-N 3.05Å; V198-L342 HydrophobicContact CG1-CB 3.75Å; V198-L342 HydrophobicContact CG1-CD1 4.19Å; V198-L342 HydrophobicContact CG2-CB 4.1Å; K200-L342 HydrophobicContact CB-CD1 4.32Å; K200-L342 HydrophobicContact CG-CD1 3.74Å; L203-L342 HydrophobicContact CD2-CD1 3.94Å; L203-L342 HydrophobicContact CD2-CD2 4.05Å; L203-L342 HydrophobicContact CD2-CG 4.48Å |
| 343 | R | 77.9 | Confident | 85.4 | Confident | 55 Ų | 55 | 38.4 Ų | 38.4 | 21% | 0.208 | 19% | 0.191 | C | C | . | . | trans | -101.2 | -7.1 | -180 | -58.3 | -67.5 | -167.1 | 178.3 | 10.1 | 113.8 | V156 E158 V341 N703 | V156-R343 HydrophobicContact CB-CB 4.14Å; V156-R343 HydrophobicContact CG1-CB 4.3Å; V156-R343 HydrophobicContact CG1-CG 4.49Å; V156-R343 PolarHBondContact O-N 3.48Å; E158-R343 IonicContact OE2-CZ 3.76Å; E158-R343 IonicContact OE2-NE 3.09Å; E158-R343 PolarHBondContact OE2-NE 3.49Å; E158-R343 IonicContact OE2-NH2 2.72Å; E158-R343 PolarHBondContact OE2-NH2 2.85Å; V341-R343 HydrophobicContact CG1-CG 4.38Å; R343-N703 VanDerWaalsContact NH1-CG 3.29Å; R343-N703 PolarHBondContact NH1-ND2 3.43Å; R343-N703 VanDerWaalsContact NH1-ND2 3.14Å; R343-N703 PolarHBondContact NH1-OD1 3.38Å | ||
| 344 | G | 84.3 | Confident | 86.1 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | 90.6 | -150.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T155 V156 V198 | T155-G344 WeakPolarHBondContact CA-O 3.27Å; V156-G344 PolarHBondContact N-O 2.63Å; V198-G344 VanDerWaalsContact CG2-CA 3.48Å | ||
| 345 | F | 85.6 | Confident | 86.6 | Confident | 15 Ų | 15 | 36 Ų | 36 | 7% | 0.066 | 18% | 0.179 | C | C | . | . | trans | -84.4 | 132 | -178.2 | -66.9 | -30.9 | 0 | 0 | 0 | 112.3 | T153 T155 H349 L350 Y353 S382 P384 | T153-F345 HydrophobicContact CG2-CD1 4.48Å; T153-F345 HydrophobicContact CG2-CE1 4.06Å; T155-F345 HydrophobicContact CG2-CD1 4.06Å; T155-F345 HydrophobicContact CG2-CE1 3.95Å; F345-H349 HydrophobicContact CB-CB 3.95Å; F345-H349 HydrophobicContact CD1-CB 3.85Å; F345-H349 HydrophobicContact CG-CB 4.16Å; F345-L350 HydrophobicContact CB-CB 4.49Å; F345-L350 HydrophobicContact CD2-CD1 4.43Å; F345-Y353 AromaticContact CE2-CD1 3.92Å; F345-Y353 HydrophobicContact CE2-CD1 3.92Å; F345-Y353 HydrophobicContact CE2-CD2 4.28Å; F345-Y353 HydrophobicContact CE2-CE1 4.31Å; F345-Y353 AromaticContact CE2-CG 3.91Å; F345-Y353 HydrophobicContact CE2-CG 3.91Å; F345-Y353 HydrophobicContact CZ-CD2 4.06Å; F345-Y353 HydrophobicContact CZ-CE2 4.37Å; F345-Y353 HydrophobicContact CZ-CG 4.12Å; F345-S382 PolarHBondContact N-O 3.39Å; F345-P384 HydrophobicContact CD1-CG 3.97Å; F345-P384 HydrophobicContact CD2-CB 4.34Å; F345-P384 HydrophobicContact CD2-CG 3.98Å; F345-P384 HydrophobicContact CE1-CB 4.24Å; F345-P384 HydrophobicContact CE1-CG 3.73Å; F345-P384 HydrophobicContact CE2-CB 3.71Å; F345-P384 HydrophobicContact CE2-CG 3.77Å; F345-P384 HydrophobicContact CG-CG 4.08Å; F345-P384 HydrophobicContact CZ-CB 3.65Å; F345-P384 HydrophobicContact CZ-CG 3.64Å | ||
| 346 | S | 80.4 | Confident | 86.8 | Confident | 27 Ų | 27 | 38.6 Ų | 38.6 | 19% | 0.189 | 19% | 0.192 | C | C | . | . | trans | -72.3 | 165.7 | 160.8 | 73.6 | 0 | 0 | 0 | 0 | 110 | D348 H349 L350 | S346-D348 PolarHBondContact O-N 3.32Å; S346-D348 PolarHBondContact OG-N 2.95Å; S346-H349 PolarHBondContact N-ND1 2.64Å; S346-H349 PolarHBondContact O-N 2.73Å; S346-H349 VanDerWaalsContact O-N 3.15Å; S346-H349 PolarHBondContact OG-CD2 2.7Å; S346-H349 PolarHBondContact OG-N 2.74Å; S346-H349 PolarHBondContact OG-ND1 2.59Å; S346-L350 PolarHBondContact O-N 2.72Å | ||
| 347 | P | 77.1 | Confident | 86.6 | Confident | 62 Ų | 62 | 39 Ų | 39 | 40% | 0.403 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -54.6 | -32.9 | 172.7 | -25.2 | 34.9 | 0 | 0 | 0 | 113.2 | K351 Y707 | P347-K351 WeakPolarHBondContact O-CG 3.36Å; P347-K351 PolarHBondContact O-N 3.16Å; P347-Y707 HydrophobicContact CG-CE2 4.11Å |
| 348 | D | 81.5 | Confident | 86.4 | Confident | 103 Ų | 103 | 37.2 Ų | 37.2 | 55% | 0.551 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -76.9 | -39.8 | 178.3 | -63.3 | -37.3 | 0 | 0 | 0 | 111.9 | S346 L350 K351 T352 | S346-D348 PolarHBondContact O-N 3.32Å; S346-D348 PolarHBondContact OG-N 2.95Å; D348-L350 VanDerWaalsContact C-N 3.3Å; D348-L350 PolarHBondContact O-N 2.98Å; D348-K351 PolarHBondContact O-N 3.18Å; D348-K351 IonicContact OD1-NZ 2.59Å; D348-T352 PolarHBondContact O-N 2.9Å; D348-T352 PolarHBondContact O-OG1 3.44Å |
| 349 | H | 87.7 | Confident | 86.1 | Confident | 51 Ų | 51 | 46.3 Ų | 46.3 | 24% | 0.236 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.4 | -42 | 172.3 | -61.4 | 164.6 | 0 | 0 | 0 | 111.1 | T153 D154 F345 S346 K351 T352 Y353 | T153-H349 HydrophobicContact CG2-CB 4Å; D154-H349 PolarHBondContact O-CE1 3.05Å; D154-H349 PolarHBondContact O-ND1 3.25Å; F345-H349 HydrophobicContact CB-CB 3.95Å; F345-H349 HydrophobicContact CD1-CB 3.85Å; F345-H349 HydrophobicContact CG-CB 4.16Å; S346-H349 PolarHBondContact N-ND1 2.64Å; S346-H349 PolarHBondContact O-N 2.73Å; S346-H349 VanDerWaalsContact O-N 3.15Å; S346-H349 PolarHBondContact OG-CD2 2.7Å; S346-H349 PolarHBondContact OG-N 2.74Å; S346-H349 PolarHBondContact OG-ND1 2.59Å; H349-K351 VanDerWaalsContact C-N 3.34Å; H349-K351 PolarHBondContact O-N 2.79Å; H349-T352 WeakPolarHBondContact O-CB 3.32Å; H349-T352 PolarHBondContact O-N 3.06Å; H349-Y353 WeakPolarHBondContact O-CB 3.18Å; H349-Y353 PolarHBondContact O-N 3.31Å |
| 350 | L | 87.1 | Confident | 85.9 | Confident | 8 Ų | 8 | 50.5 Ų | 50.5 | 4% | 0.042 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.9 | -41.1 | 177.9 | -175.9 | 58.8 | 0 | 0 | 0 | 111.8 | F345 S346 D348 Y353 I354 L371 C381 S387 F391 | F345-L350 HydrophobicContact CB-CB 4.49Å; F345-L350 HydrophobicContact CD2-CD1 4.43Å; S346-L350 PolarHBondContact O-N 2.72Å; D348-L350 VanDerWaalsContact C-N 3.3Å; D348-L350 PolarHBondContact O-N 2.98Å; L350-Y353 PolarHBondContact O-N 3.26Å; L350-I354 HydrophobicContact CG-CD1 4.29Å; L350-I354 VanDerWaalsContact O-CG1 3.27Å; L350-I354 WeakPolarHBondContact O-CG1 3Å; L350-I354 PolarHBondContact O-N 2.9Å; L350-L371 HydrophobicContact CD2-CD1 4.37Å; L350-C381 HydrophobicContact CD1-CB 4.17Å; L350-C381 HydrophobicContact CD2-CB 4.08Å; L350-S387 VanDerWaalsContact CD1-OG 3.26Å; L350-S387 WeakPolarHBondContact CD1-OG 3.41Å; L350-F391 HydrophobicContact CD1-CE2 4.09Å; L350-F391 HydrophobicContact CD1-CZ 4Å |
| 351 | K | 86.6 | Confident | 85.6 | Confident | 116 Ų | 116 | 55.5 Ų | 55.5 | 50% | 0.504 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 173.9 | -72.1 | 171.3 | -176 | 171.1 | 0 | 112.2 | P347 D348 H349 Y353 I354 K355 | P347-K351 WeakPolarHBondContact O-CG 3.36Å; P347-K351 PolarHBondContact O-N 3.16Å; D348-K351 PolarHBondContact O-N 3.18Å; D348-K351 IonicContact OD1-NZ 2.59Å; H349-K351 VanDerWaalsContact C-N 3.34Å; H349-K351 PolarHBondContact O-N 2.79Å; K351-Y353 VanDerWaalsContact C-N 3.35Å; K351-I354 PolarHBondContact O-N 2.72Å; K351-K355 WeakPolarHBondContact O-CG 3.26Å; K351-K355 PolarHBondContact O-N 2.9Å; K351-K355 VanDerWaalsContact O-N 3.17Å |
| 352 | T | 89.6 | Confident | 85.4 | Confident | 68 Ų | 68 | 62.7 Ų | 62.7 | 42% | 0.417 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.9 | -45.3 | 174.9 | -60.9 | 0 | 0 | 0 | 0 | 110.8 | T153 D348 H349 I354 K355 L356 | T153-T352 HydrophobicContact CG2-CG2 4.45Å; D348-T352 PolarHBondContact O-N 2.9Å; D348-T352 PolarHBondContact O-OG1 3.44Å; H349-T352 WeakPolarHBondContact O-CB 3.32Å; H349-T352 PolarHBondContact O-N 3.06Å; T352-I354 VanDerWaalsContact C-N 3.35Å; T352-I354 PolarHBondContact O-N 2.85Å; T352-K355 WeakPolarHBondContact O-CB 3.46Å; T352-K355 PolarHBondContact O-N 3.31Å; T352-K355 VanDerWaalsContact O-N 3.11Å; T352-L356 HydrophobicContact CG2-CD1 4.41Å; T352-L356 WeakPolarHBondContact O-CG 3.05Å; T352-L356 PolarHBondContact O-N 3.45Å; T352-L356 VanDerWaalsContact O-N 3.09Å |
| 353 | Y | 90.8 | Very high | 85.1 | Confident | 14 Ų | 14 | 64.5 Ų | 64.5 | 6% | 0.055 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 178.2 | -167.9 | -113.9 | 0 | 0 | 0 | 112.7 | L151 F345 H349 L350 K351 K355 L356 Q357 F391 | L151-Y353 WeakPolarHBondContact O-CE2 3.47Å; F345-Y353 AromaticContact CE2-CD1 3.92Å; F345-Y353 HydrophobicContact CE2-CD1 3.92Å; F345-Y353 HydrophobicContact CE2-CD2 4.28Å; F345-Y353 HydrophobicContact CE2-CE1 4.31Å; F345-Y353 AromaticContact CE2-CG 3.91Å; F345-Y353 HydrophobicContact CE2-CG 3.91Å; F345-Y353 HydrophobicContact CZ-CD2 4.06Å; F345-Y353 HydrophobicContact CZ-CE2 4.37Å; F345-Y353 HydrophobicContact CZ-CG 4.12Å; H349-Y353 WeakPolarHBondContact O-CB 3.18Å; H349-Y353 PolarHBondContact O-N 3.31Å; L350-Y353 PolarHBondContact O-N 3.26Å; K351-Y353 VanDerWaalsContact C-N 3.35Å; Y353-K355 VanDerWaalsContact C-N 3.34Å; Y353-K355 PolarHBondContact O-N 3.38Å; Y353-L356 PolarHBondContact O-N 3.23Å; Y353-Q357 HydrophobicContact CD1-CG 4.28Å; Y353-Q357 HydrophobicContact CE1-CG 3.95Å; Y353-Q357 HydrophobicContact CE2-CG 4.37Å; Y353-Q357 VanDerWaalsContact CZ-NE2 3.31Å; Y353-Q357 WeakPolarHBondContact O-CB 3.46Å; Y353-Q357 WeakPolarHBondContact O-CG 3.34Å; Y353-Q357 PolarHBondContact O-N 3.17Å; Y353-Q357 PolarHBondContact OH-NE2 3.02Å; Y353-F391 AromaticContact CD1-CD2 3.81Å; Y353-F391 HydrophobicContact CD1-CD2 3.81Å; Y353-F391 AromaticContact CD1-CE2 3.73Å; Y353-F391 HydrophobicContact CD1-CE2 3.73Å; Y353-F391 AromaticContact CE1-CD2 3.79Å; Y353-F391 HydrophobicContact CE1-CD2 3.79Å; Y353-F391 HydrophobicContact CE1-CE2 4.16Å |
| 354 | I | 89.6 | Confident | 85.5 | Confident | 6 Ų | 6 | 64.7 Ų | 64.7 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60 | -43.3 | 173.2 | -70.1 | 164.1 | 0 | 0 | 0 | 111.1 | L350 K351 T352 L356 Q357 F358 R364 L371 F391 | L350-I354 HydrophobicContact CG-CD1 4.29Å; L350-I354 VanDerWaalsContact O-CG1 3.27Å; L350-I354 WeakPolarHBondContact O-CG1 3Å; L350-I354 PolarHBondContact O-N 2.9Å; K351-I354 PolarHBondContact O-N 2.72Å; T352-I354 VanDerWaalsContact C-N 3.35Å; T352-I354 PolarHBondContact O-N 2.85Å; I354-L356 VanDerWaalsContact C-N 3.32Å; I354-L356 PolarHBondContact O-N 3.29Å; I354-Q357 PolarHBondContact O-N 3.32Å; I354-F358 HydrophobicContact CG2-CD2 4.15Å; I354-F358 WeakPolarHBondContact O-CD2 3.24Å; I354-F358 PolarHBondContact O-N 2.91Å; I354-R364 HydrophobicContact CG2-CB 4.28Å; I354-R364 HydrophobicContact CG2-CG 4.23Å; I354-L371 HydrophobicContact CD1-CD1 3.72Å; I354-F391 HydrophobicContact CD1-CZ 4.18Å; I354-F391 HydrophobicContact CG1-CE2 3.63Å; I354-F391 HydrophobicContact CG1-CZ 3.65Å |
| 355 | K | 89.6 | Confident | 85.4 | Confident | 131 Ų | 131 | 68.6 Ų | 68.6 | 57% | 0.57 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.9 | -36.5 | 178.9 | -70.3 | 172.7 | -178.9 | 179.4 | 0 | 112.6 | K351 T352 Y353 F358 R364 | K351-K355 WeakPolarHBondContact O-CG 3.26Å; K351-K355 PolarHBondContact O-N 2.9Å; K351-K355 VanDerWaalsContact O-N 3.17Å; T352-K355 WeakPolarHBondContact O-CB 3.46Å; T352-K355 PolarHBondContact O-N 3.31Å; T352-K355 VanDerWaalsContact O-N 3.11Å; Y353-K355 VanDerWaalsContact C-N 3.34Å; Y353-K355 PolarHBondContact O-N 3.38Å; K355-F358 VanDerWaalsContact O-O 3.05Å; K355-R364 PolarHBondContact O-NH2 3.32Å |
| 356 | L | 88.4 | Confident | 85.2 | Confident | 72 Ų | 72 | 70.3 Ų | 70.3 | 38% | 0.377 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -72.1 | -41.8 | 177.7 | -67 | 175.8 | 0 | 0 | 0 | 111.9 | L151 T352 Y353 I354 | L151-L356 HydrophobicContact CD2-CB 4.42Å; T352-L356 HydrophobicContact CG2-CD1 4.41Å; T352-L356 WeakPolarHBondContact O-CG 3.05Å; T352-L356 PolarHBondContact O-N 3.45Å; T352-L356 VanDerWaalsContact O-N 3.09Å; Y353-L356 PolarHBondContact O-N 3.23Å; I354-L356 VanDerWaalsContact C-N 3.32Å; I354-L356 PolarHBondContact O-N 3.29Å |
| 357 | Q | 84.3 | Confident | 85.2 | Confident | 12 Ų | 12 | 69 Ų | 69 | 6% | 0.056 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -72.5 | -39.7 | -177.6 | -75 | -72.5 | 4 | 0 | 0 | 113.8 | L151 Y353 I354 F391 | L151-Q357 HydrophobicContact CD2-CG 3.9Å; L151-Q357 VanDerWaalsContact CD2-NE2 3.34Å; Y353-Q357 HydrophobicContact CD1-CG 4.28Å; Y353-Q357 HydrophobicContact CE1-CG 3.95Å; Y353-Q357 HydrophobicContact CE2-CG 4.37Å; Y353-Q357 VanDerWaalsContact CZ-NE2 3.31Å; Y353-Q357 WeakPolarHBondContact O-CB 3.46Å; Y353-Q357 WeakPolarHBondContact O-CG 3.34Å; Y353-Q357 PolarHBondContact O-N 3.17Å; Y353-Q357 PolarHBondContact OH-NE2 3.02Å; I354-Q357 PolarHBondContact O-N 3.32Å; Q357-F391 HydrophobicContact CG-CD2 4.3Å |
| 358 | F | 86 | Confident | 85.5 | Confident | 10 Ų | 10 | 67.8 Ų | 67.8 | 4% | 0.044 | 33% | 0.325 | C | S | . | . | trans | -110.6 | 118.7 | -176.6 | -59.8 | -74.1 | 0 | 0 | 0 | 109.7 | I354 K355 H363 R364 V367 F391 F394 | I354-F358 HydrophobicContact CG2-CD2 4.15Å; I354-F358 WeakPolarHBondContact O-CD2 3.24Å; I354-F358 PolarHBondContact O-N 2.91Å; K355-F358 VanDerWaalsContact O-O 3.05Å; F358-H363 HydrophobicContact CB-CB 4.29Å; F358-H363 HydrophobicContact CD1-CB 4.05Å; F358-H363 HydrophobicContact CG-CB 4.35Å; F358-R364 HydrophobicContact CB-CG 3.82Å; F358-R364 PolarHBondContact O-NE 3.12Å; F358-R364 PolarHBondContact O-NH2 2.82Å; F358-V367 HydrophobicContact CE2-CG1 4.36Å; F358-V367 HydrophobicContact CE2-CG2 4.03Å; F358-V367 HydrophobicContact CZ-CG2 4.04Å; F358-F391 HydrophobicContact CE2-CB 3.95Å; F358-F391 HydrophobicContact CE2-CD1 4.15Å; F358-F391 HydrophobicContact CE2-CD2 4.22Å; F358-F391 AromaticContact CE2-CG 3.86Å; F358-F391 HydrophobicContact CE2-CG 3.86Å; F358-F391 HydrophobicContact CZ-CB 3.81Å; F358-F391 HydrophobicContact CZ-CD1 4.38Å; F358-F391 HydrophobicContact CZ-CG 4.15Å; F358-F394 AromaticContact CE1-CD1 3.65Å; F358-F394 HydrophobicContact CE1-CD1 3.65Å; F358-F394 HydrophobicContact CE1-CE1 4.12Å; F358-F394 AromaticContact CZ-CD1 3.92Å; F358-F394 HydrophobicContact CZ-CD1 3.92Å | ||
| 359 | K | 84.4 | Confident | 85.4 | Confident | 192 Ų | 192 | 67.3 Ų | 67.3 | 84% | 0.835 | 33% | 0.326 | S | S | * | . | trans | -79.4 | -34.2 | 177.9 | -66.7 | -173.9 | 178 | -177.3 | 0 | 112.4 | R364 | K359-R364 PolarHBondContact O-NH2 3.4Š| ||
| 360 | E | 85.7 | Confident | 84.8 | Confident | 112 Ų | 112 | 66.2 Ų | 66.2 | 52% | 0.523 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -84.2 | 137.3 | -177.1 | -68.3 | 168.1 | -164.2 | 0 | 0 | 111.8 | H363 R364 | E360-H363 IonicContact OE2-CE1 2.68Å; E360-H363 PolarHBondContact OE2-CE1 2.96Å; E360-H363 IonicContact OE2-CG 3.55Å; E360-H363 IonicContact OE2-ND1 2.69Å; E360-H363 PolarHBondContact OE2-ND1 3.01Å; E360-H363 IonicContact OE2-NE2 3.57Å; E360-R364 WeakPolarHBondContact O-CG 3.41Å; E360-R364 PolarHBondContact O-N 3.43Å |
| 361 | Q | 85.9 | Confident | 84.4 | Confident | 105 Ų | 105 | 66 Ų | 66 | 49% | 0.491 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67.5 | -38.2 | -176.3 | -170 | 60.5 | 32.1 | 0 | 0 | 112.4 | H363 R364 D365 | Q361-H363 VanDerWaalsContact C-N 3.33Å; Q361-H363 PolarHBondContact O-N 3.48Å; Q361-R364 WeakPolarHBondContact O-CB 3.35Å; Q361-R364 PolarHBondContact O-N 3.48Å; Q361-R364 VanDerWaalsContact O-N 3.12Å; Q361-D365 PolarHBondContact NE2-OD1 3.11Å; Q361-D365 PolarHBondContact O-N 3.11Å |
| 362 | E | 82.2 | Confident | 83.7 | Confident | 158 Ų | 158 | 65.5 Ų | 65.5 | 74% | 0.738 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -58.6 | -43.3 | 179.2 | -62.9 | -179.2 | -179.5 | 0 | 0 | 112.2 | D365 L366 | E362-D365 PolarHBondContact O-N 2.84Å; E362-L366 WeakPolarHBondContact O-CB 3.45Å; E362-L366 PolarHBondContact O-N 2.96Å |
| 363 | H | 81.8 | Confident | 82.7 | Confident | 37 Ų | 37 | 66.2 Ų | 66.2 | 17% | 0.171 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.1 | -37.8 | 176.5 | -68.8 | 139.2 | 0 | 0 | 0 | 112.7 | F358 E360 Q361 V367 H398 | F358-H363 HydrophobicContact CB-CB 4.29Å; F358-H363 HydrophobicContact CD1-CB 4.05Å; F358-H363 HydrophobicContact CG-CB 4.35Å; E360-H363 IonicContact OE2-CE1 2.68Å; E360-H363 PolarHBondContact OE2-CE1 2.96Å; E360-H363 IonicContact OE2-CG 3.55Å; E360-H363 IonicContact OE2-ND1 2.69Å; E360-H363 PolarHBondContact OE2-ND1 3.01Å; E360-H363 IonicContact OE2-NE2 3.57Å; Q361-H363 VanDerWaalsContact C-N 3.33Å; Q361-H363 PolarHBondContact O-N 3.48Å; H363-V367 WeakPolarHBondContact O-CG2 3.2Å; H363-V367 PolarHBondContact O-N 3.32Å; H363-V367 VanDerWaalsContact O-N 3.07Å; H363-H398 AromaticContact NE2-CE1 3.2Å; H363-H398 PolarHBondContact NE2-CE1 3.36Å; H363-H398 AromaticContact NE2-ND1 3.54Å; H363-H398 AromaticContact NE2-NE2 3.63Å |
| 364 | R | 86.3 | Confident | 81.6 | Confident | 59 Ų | 59 | 66.5 Ų | 66.5 | 22% | 0.223 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.4 | -48.8 | 175.9 | -68.1 | 172.7 | -177.5 | 164 | 1.5 | 110.7 | I354 K355 F358 K359 E360 Q361 L366 V367 S368 | I354-R364 HydrophobicContact CG2-CB 4.28Å; I354-R364 HydrophobicContact CG2-CG 4.23Å; K355-R364 PolarHBondContact O-NH2 3.32Å; F358-R364 HydrophobicContact CB-CG 3.82Å; F358-R364 PolarHBondContact O-NE 3.12Å; F358-R364 PolarHBondContact O-NH2 2.82Å; K359-R364 PolarHBondContact O-NH2 3.4Å; E360-R364 WeakPolarHBondContact O-CG 3.41Å; E360-R364 PolarHBondContact O-N 3.43Å; Q361-R364 WeakPolarHBondContact O-CB 3.35Å; Q361-R364 PolarHBondContact O-N 3.48Å; Q361-R364 VanDerWaalsContact O-N 3.12Å; R364-L366 VanDerWaalsContact C-N 3.34Å; R364-L366 PolarHBondContact O-N 3.2Å; R364-V367 PolarHBondContact O-N 2.91Å; R364-S368 WeakPolarHBondContact O-CB 3.44Å; R364-S368 PolarHBondContact O-N 3.16Å; R364-S368 PolarHBondContact O-OG 2.91Å |
| 365 | D | 83.1 | Confident | 80.5 | Confident | 82 Ų | 82 | 67.3 Ų | 67.3 | 44% | 0.439 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.6 | -42 | -177.4 | -64.7 | -20.4 | 0 | 0 | 0 | 110.5 | Q361 E362 S368 V369 | Q361-D365 PolarHBondContact NE2-OD1 3.11Å; Q361-D365 PolarHBondContact O-N 3.11Å; E362-D365 PolarHBondContact O-N 2.84Å; D365-S368 PolarHBondContact O-N 3.5Å; D365-V369 WeakPolarHBondContact O-CB 3.49Å; D365-V369 WeakPolarHBondContact O-CG2 3.46Å; D365-V369 PolarHBondContact O-N 3.4Å |
| 366 | L | 80.6 | Confident | 79.4 | Confident | 51 Ų | 51 | 61.7 Ų | 61.7 | 27% | 0.267 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.5 | -48.1 | 177 | -178 | 60.2 | 0 | 0 | 0 | 112.6 | E362 R364 V369 Q370 F394 | E362-L366 WeakPolarHBondContact O-CB 3.45Å; E362-L366 PolarHBondContact O-N 2.96Å; R364-L366 VanDerWaalsContact C-N 3.34Å; R364-L366 PolarHBondContact O-N 3.2Å; L366-V369 PolarHBondContact O-N 3.44Å; L366-Q370 WeakPolarHBondContact O-CG 3.43Å; L366-Q370 PolarHBondContact O-N 2.97Å; L366-F394 HydrophobicContact CD2-CE2 4.26Å; L366-F394 HydrophobicContact CD2-CZ 3.92Å |
| 367 | V | 81.9 | Confident | 78.7 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.1 | -40.6 | 179.8 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | F358 H363 R364 Q370 L371 F391 F394 | F358-V367 HydrophobicContact CE2-CG1 4.36Å; F358-V367 HydrophobicContact CE2-CG2 4.03Å; F358-V367 HydrophobicContact CZ-CG2 4.04Å; H363-V367 WeakPolarHBondContact O-CG2 3.2Å; H363-V367 PolarHBondContact O-N 3.32Å; H363-V367 VanDerWaalsContact O-N 3.07Å; R364-V367 PolarHBondContact O-N 2.91Å; V367-Q370 PolarHBondContact O-N 3.44Å; V367-L371 HydrophobicContact CG1-CD1 3.91Å; V367-L371 HydrophobicContact CG1-CG 4.36Å; V367-L371 WeakPolarHBondContact O-CG 3.36Å; V367-L371 PolarHBondContact O-N 3.31Å; V367-F391 HydrophobicContact CG1-CD1 4.07Å; V367-F391 HydrophobicContact CG1-CE1 3.54Å; V367-F391 HydrophobicContact CG1-CZ 4.13Å; V367-F394 HydrophobicContact CG2-CD1 4.2Å; V367-F394 HydrophobicContact CG2-CD2 4.39Å; V367-F394 HydrophobicContact CG2-CE1 4.09Å; V367-F394 HydrophobicContact CG2-CE2 4.3Å; V367-F394 HydrophobicContact CG2-CG 4.37Å; V367-F394 HydrophobicContact CG2-CZ 4.16Å |
| 368 | S | 81.8 | Confident | 78.2 | Confident | 36 Ų | 36 | 58 Ų | 58 | 25% | 0.252 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 175.7 | -71.8 | 0 | 0 | 0 | 0 | 112 | R364 D365 Q370 L371 D372 | R364-S368 WeakPolarHBondContact O-CB 3.44Å; R364-S368 PolarHBondContact O-N 3.16Å; R364-S368 PolarHBondContact O-OG 2.91Å; D365-S368 PolarHBondContact O-N 3.5Å; S368-Q370 VanDerWaalsContact C-N 3.3Å; S368-Q370 PolarHBondContact O-N 3.35Å; S368-L371 PolarHBondContact O-N 3.06Å; S368-D372 WeakPolarHBondContact O-CB 3.46Å; S368-D372 PolarHBondContact O-N 3.5Å |
| 369 | V | 79.4 | Confident | 77.5 | Confident | 94 Ų | 94 | 58 Ų | 58 | 57% | 0.57 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -60.2 | -40.8 | 176.4 | 169.7 | 0 | 0 | 0 | 0 | 111.3 | D365 L366 D372 A373 | D365-V369 WeakPolarHBondContact O-CB 3.49Å; D365-V369 WeakPolarHBondContact O-CG2 3.46Å; D365-V369 PolarHBondContact O-N 3.4Å; L366-V369 PolarHBondContact O-N 3.44Å; V369-D372 PolarHBondContact O-N 3.07Å; V369-A373 WeakPolarHBondContact O-CB 3.12Å; V369-A373 PolarHBondContact O-N 3.18Å |
| 370 | Q | 75.8 | Confident | 77.2 | Confident | 28 Ų | 28 | 49.9 Ų | 49.9 | 13% | 0.131 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.8 | -37.6 | 178.8 | -73.6 | 175.2 | -10.1 | 0 | 0 | 113 | L366 V367 S368 S374 L406 | L366-Q370 WeakPolarHBondContact O-CG 3.43Å; L366-Q370 PolarHBondContact O-N 2.97Å; V367-Q370 PolarHBondContact O-N 3.44Å; S368-Q370 VanDerWaalsContact C-N 3.3Å; S368-Q370 PolarHBondContact O-N 3.35Å; Q370-S374 PolarHBondContact O-N 3.46Å; Q370-S374 VanDerWaalsContact O-N 3.08Å; Q370-L406 HydrophobicContact CB-CD1 4.14Å; Q370-L406 VanDerWaalsContact OE1-CB 3.24Å |
| 371 | L | 77.8 | Confident | 77 | Confident | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69 | -39.5 | 174.5 | -69.8 | 170 | 0 | 0 | 0 | 111.9 | L350 I354 V367 S368 A373 S374 L377 C378 C381 F391 | L350-L371 HydrophobicContact CD2-CD1 4.37Å; I354-L371 HydrophobicContact CD1-CD1 3.72Å; V367-L371 HydrophobicContact CG1-CD1 3.91Å; V367-L371 HydrophobicContact CG1-CG 4.36Å; V367-L371 WeakPolarHBondContact O-CG 3.36Å; V367-L371 PolarHBondContact O-N 3.31Å; S368-L371 PolarHBondContact O-N 3.06Å; L371-A373 VanDerWaalsContact C-N 3.34Å; L371-S374 CarbonylContact O-C 3.51Å; L371-S374 VanDerWaalsContact O-C 3.27Å; L371-S374 PolarHBondContact O-N 3.35Å; L371-L377 HydrophobicContact CD2-CB 4.48Å; L371-L377 HydrophobicContact CD2-CD2 3.8Å; L371-L377 HydrophobicContact CD2-CG 3.76Å; L371-C378 HydrophobicContact CB-CB 4.48Å; L371-C381 HydrophobicContact CD2-CB 4.23Å; L371-F391 HydrophobicContact CD1-CE1 4.07Å; L371-F391 HydrophobicContact CD1-CZ 3.9Å |
| 372 | D | 72.6 | Confident | 76.8 | Confident | 105 Ų | 105 | 41 Ų | 41 | 56% | 0.561 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -68.1 | -35.9 | 176.7 | -73.3 | -19.6 | 0 | 0 | 0 | 111.8 | S368 V369 S374 | S368-D372 WeakPolarHBondContact O-CB 3.46Å; S368-D372 PolarHBondContact O-N 3.5Å; V369-D372 PolarHBondContact O-N 3.07Å; D372-S374 VanDerWaalsContact C-N 3.34Å |
| 373 | A | 67.8 | Low | 76.9 | Confident | 82 Ų | 82 | 35.2 Ų | 35.2 | 68% | 0.678 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -69.6 | -29.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V369 L371 P375 | V369-A373 WeakPolarHBondContact O-CB 3.12Å; V369-A373 PolarHBondContact O-N 3.18Å; L371-A373 VanDerWaalsContact C-N 3.34Å; A373-P375 WeakPolarHBondContact O-CD 3.27Å |
| 374 | S | 68.8 | Low | 77.2 | Confident | 21 Ų | 21 | 34.3 Ų | 34.3 | 15% | 0.147 | 21% | 0.205 | C | C | . | . | trans | -119.7 | 88.7 | -179.2 | -175.4 | 0 | 0 | 0 | 0 | 111.8 | Q370 L371 D372 H376 L377 C378 | Q370-S374 PolarHBondContact O-N 3.46Å; Q370-S374 VanDerWaalsContact O-N 3.08Å; L371-S374 CarbonylContact O-C 3.51Å; L371-S374 VanDerWaalsContact O-C 3.27Å; L371-S374 PolarHBondContact O-N 3.35Å; D372-S374 VanDerWaalsContact C-N 3.34Å; S374-H376 PolarHBondContact O-N 3.26Å; S374-H376 VanDerWaalsContact O-N 3.1Å; S374-L377 PolarHBondContact O-N 2.75Å; S374-L377 VanDerWaalsContact O-N 3.12Å; S374-L377 WeakPolarHBondContact OG-CB 3.4Å; S374-L377 PolarHBondContact OG-N 3.08Å; S374-C378 PolarHBondContact O-N 2.83Å | ||
| 375 | P | 66.8 | Low | 77.1 | Confident | 22 Ų | 22 | 32.7 Ų | 32.7 | 14% | 0.143 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.1 | -16.9 | -178.2 | 1.7 | 6.3 | 0 | 0 | 0 | 113.1 | A373 G379 Y707 K710 | A373-P375 WeakPolarHBondContact O-CD 3.27Å; P375-G379 PolarHBondContact O-N 3.48Å; P375-Y707 HydrophobicContact CB-CD1 4.08Å; P375-K710 HydrophobicContact CG-CD 4.18Å |
| 376 | H | 66.3 | Low | 77.2 | Confident | 13 Ų | 13 | 29.6 Ų | 29.6 | 6% | 0.06 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -72.6 | -48 | 172.3 | -177 | 69.3 | 0 | 0 | 0 | 111.4 | S374 C378 G379 L380 I411 F649 T682 | S374-H376 PolarHBondContact O-N 3.26Å; S374-H376 VanDerWaalsContact O-N 3.1Å; H376-C378 VanDerWaalsContact C-N 3.3Å; H376-C378 PolarHBondContact O-N 3.04Å; H376-G379 PolarHBondContact O-N 3.18Å; H376-G379 VanDerWaalsContact O-N 3.16Å; H376-L380 PolarHBondContact O-N 2.88Å; H376-I411 PolarHBondContact CD2-O 3.21Å; H376-I411 PolarHBondContact NE2-O 2.97Å; H376-F649 AromaticContact CE1-CE1 3.54Å; H376-F649 AromaticContact CE1-CZ 3.8Å; H376-F649 AromaticContact NE2-CE1 3.44Å; H376-F649 WeakPolarHBondContact NE2-CE1 3.34Å; H376-F649 AromaticContact NE2-CZ 3.72Å; H376-T682 HydrophobicContact CB-CG2 4.38Å; H376-T682 WeakPolarHBondContact ND1-CB 3.16Å; H376-T682 PolarHBondContact ND1-OG1 2.83Å |
| 377 | L | 74.1 | Confident | 77.5 | Confident | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.7 | -42.4 | 174.4 | -179 | 65.9 | 0 | 0 | 0 | 110.8 | L371 S374 G379 L380 C381 V390 L406 I411 | L371-L377 HydrophobicContact CD2-CB 4.48Å; L371-L377 HydrophobicContact CD2-CD2 3.8Å; L371-L377 HydrophobicContact CD2-CG 3.76Å; S374-L377 PolarHBondContact O-N 2.75Å; S374-L377 VanDerWaalsContact O-N 3.12Å; S374-L377 WeakPolarHBondContact OG-CB 3.4Å; S374-L377 PolarHBondContact OG-N 3.08Å; L377-G379 VanDerWaalsContact C-N 3.32Å; L377-G379 PolarHBondContact O-N 2.91Å; L377-L380 PolarHBondContact O-N 3.25Å; L377-L380 VanDerWaalsContact O-N 3.16Å; L377-C381 WeakPolarHBondContact O-CB 3.44Å; L377-C381 PolarHBondContact O-N 3.16Å; L377-C381 PolarHBondContact O-SG 2.85Å; L377-C381 VanDerWaalsContact O-SG 3.4Å; L377-V390 HydrophobicContact CD1-CG2 4.22Å; L377-L406 HydrophobicContact CD2-CD1 3.98Å; L377-I411 HydrophobicContact CD1-CD1 3.96Å; L377-I411 HydrophobicContact CD1-CG2 4.33Å; L377-I411 HydrophobicContact CD2-CD1 3.95Å; L377-I411 HydrophobicContact CG-CD1 4.39Å |
| 378 | C | 73.7 | Confident | 77.7 | Confident | 4 Ų | 4 | 28.4 Ų | 28.4 | 3% | 0.027 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.5 | -42.7 | 174.5 | -171.1 | 0 | 0 | 0 | 0 | 112.2 | L371 S374 H376 L380 C381 S382 Y707 | L371-C378 HydrophobicContact CB-CB 4.48Å; S374-C378 PolarHBondContact O-N 2.83Å; H376-C378 VanDerWaalsContact C-N 3.3Å; H376-C378 PolarHBondContact O-N 3.04Å; C378-L380 PolarHBondContact O-N 2.75Å; C378-C381 PolarHBondContact O-N 3.32Å; C378-S382 PolarHBondContact O-N 2.57Å; C378-S382 VanDerWaalsContact O-N 3.11Å; C378-S382 PolarHBondContact O-OG 3.31Å; C378-Y707 VanDerWaalsContact SG-CZ 3.59Å |
| 379 | G | 71.4 | Confident | 77.7 | Confident | 10 Ų | 10 | 26.8 Ų | 26.8 | 10% | 0.103 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62 | -39.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | P375 H376 L377 S382 | P375-G379 PolarHBondContact O-N 3.48Å; H376-G379 PolarHBondContact O-N 3.18Å; H376-G379 VanDerWaalsContact O-N 3.16Å; L377-G379 VanDerWaalsContact C-N 3.32Å; L377-G379 PolarHBondContact O-N 2.91Å; G379-S382 VanDerWaalsContact O-CB 3.3Å; G379-S382 WeakPolarHBondContact O-CB 3.24Å; G379-S382 PolarHBondContact O-N 3.08Å; G379-S382 PolarHBondContact O-OG 2.88Å |
| 380 | L | 77.7 | Confident | 77.9 | Confident | 23 Ų | 23 | 22.5 Ų | 22.5 | 12% | 0.12 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.8 | -43.3 | 173.6 | -68.4 | 173.5 | 0 | 0 | 0 | 111.4 | H376 L377 C378 S382 T383 F386 L413 I416 | H376-L380 PolarHBondContact O-N 2.88Å; L377-L380 PolarHBondContact O-N 3.25Å; L377-L380 VanDerWaalsContact O-N 3.16Å; C378-L380 PolarHBondContact O-N 2.75Å; L380-S382 PolarHBondContact O-N 2.94Å; L380-S382 VanDerWaalsContact O-N 3.11Å; L380-T383 PolarHBondContact O-N 3.39Å; L380-F386 WeakPolarHBondContact O-CB 3.41Å; L380-F386 WeakPolarHBondContact O-CD2 3.21Å; L380-L413 HydrophobicContact CD2-CD1 4.42Å; L380-I416 HydrophobicContact CB-CD1 4.3Å; L380-I416 HydrophobicContact CD1-CD1 3.73Å |
| 381 | C | 82.4 | Confident | 78.4 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.2 | -10.4 | 176.2 | -72.8 | 0 | 0 | 0 | 0 | 113.6 | L350 L371 L377 C378 T383 S387 | L350-C381 HydrophobicContact CD1-CB 4.17Å; L350-C381 HydrophobicContact CD2-CB 4.08Å; L371-C381 HydrophobicContact CD2-CB 4.23Å; L377-C381 WeakPolarHBondContact O-CB 3.44Å; L377-C381 PolarHBondContact O-N 3.16Å; L377-C381 PolarHBondContact O-SG 2.85Å; L377-C381 VanDerWaalsContact O-SG 3.4Å; C378-C381 PolarHBondContact O-N 3.32Å; C381-T383 PolarHBondContact O-N 3.11Å; C381-S387 VanDerWaalsContact C-OG 3.31Å; C381-S387 VanDerWaalsContact CA-OG 3.3Å; C381-S387 WeakPolarHBondContact CA-OG 3.45Å; C381-S387 VanDerWaalsContact CB-OG 3.24Å; C381-S387 WeakPolarHBondContact CB-OG 3.46Å; C381-S387 PolarHBondContact O-OG 2.91Å |
| 382 | S | 80.9 | Confident | 78.5 | Confident | 31 Ų | 31 | 22.5 Ų | 22.5 | 22% | 0.217 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -21.9 | 169.2 | -55.9 | 0 | 0 | 0 | 0 | 111.8 | F345 C378 G379 L380 | F345-S382 PolarHBondContact N-O 3.39Å; C378-S382 PolarHBondContact O-N 2.57Å; C378-S382 VanDerWaalsContact O-N 3.11Å; C378-S382 PolarHBondContact O-OG 3.31Å; G379-S382 VanDerWaalsContact O-CB 3.3Å; G379-S382 WeakPolarHBondContact O-CB 3.24Å; G379-S382 PolarHBondContact O-N 3.08Å; G379-S382 PolarHBondContact O-OG 2.88Å; L380-S382 PolarHBondContact O-N 2.94Å; L380-S382 VanDerWaalsContact O-N 3.11Å |
| 383 | T | 83.8 | Confident | 78.8 | Confident | 35 Ų | 35 | 17.6 Ų | 17.6 | 22% | 0.215 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -86.2 | 121 | 168.5 | -53 | 0 | 0 | 0 | 0 | 110.1 | G197 L380 C381 L385 F386 S387 | G197-T383 WeakPolarHBondContact O-CG2 3.44Å; L380-T383 PolarHBondContact O-N 3.39Å; C381-T383 PolarHBondContact O-N 3.11Å; T383-L385 VanDerWaalsContact C-N 3.32Å; T383-L385 HydrophobicContact CG2-CB 4.5Å; T383-L385 PolarHBondContact O-N 3.37Å; T383-F386 VanDerWaalsContact CB-CD2 3.5Å; T383-F386 HydrophobicContact CG2-CD2 3.93Å; T383-F386 HydrophobicContact CG2-CE2 4Å; T383-F386 HydrophobicContact CG2-CG 4.46Å; T383-F386 PolarHBondContact O-N 3.27Å; T383-S387 PolarHBondContact O-N 2.96Å; T383-S387 VanDerWaalsContact O-N 3.08Å |
| 384 | P | 88.3 | Confident | 79.3 | Confident | 18 Ų | 18 | 13.8 Ų | 13.8 | 12% | 0.117 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -52.8 | -41.3 | -177 | -31.6 | 37.8 | 0 | 0 | 0 | 115.2 | T155 V198 F345 F386 S387 W388 | T155-P384 HydrophobicContact CG2-CG 3.88Å; V198-P384 WeakPolarHBondContact O-CG 3.47Å; F345-P384 HydrophobicContact CD1-CG 3.97Å; F345-P384 HydrophobicContact CD2-CB 4.34Å; F345-P384 HydrophobicContact CD2-CG 3.98Å; F345-P384 HydrophobicContact CE1-CB 4.24Å; F345-P384 HydrophobicContact CE1-CG 3.73Å; F345-P384 HydrophobicContact CE2-CB 3.71Å; F345-P384 HydrophobicContact CE2-CG 3.77Å; F345-P384 HydrophobicContact CG-CG 4.08Å; F345-P384 HydrophobicContact CZ-CB 3.65Å; F345-P384 HydrophobicContact CZ-CG 3.64Å; P384-F386 VanDerWaalsContact C-N 3.35Å; P384-F386 PolarHBondContact O-N 2.85Å; P384-S387 WeakPolarHBondContact O-CB 3.36Å; P384-S387 PolarHBondContact O-N 3.09Å; P384-W388 WeakPolarHBondContact O-CB 3.26Å; P384-W388 PolarHBondContact O-N 2.88Å |
| 385 | L | 85.3 | Confident | 79.7 | Confident | 25 Ų | 25 | 19.4 Ų | 19.4 | 13% | 0.131 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -57.4 | -45.5 | 176.4 | 175.8 | 63.7 | 0 | 0 | 0 | 112.4 | G197 T383 W388 I389 H511 | G197-L385 WeakPolarHBondContact O-CB 3.24Å; G197-L385 PolarHBondContact O-N 2.94Å; G197-L385 VanDerWaalsContact O-N 3.11Å; T383-L385 VanDerWaalsContact C-N 3.32Å; T383-L385 HydrophobicContact CG2-CB 4.5Å; T383-L385 PolarHBondContact O-N 3.37Å; L385-W388 HydrophobicContact CD1-CE3 4.28Å; L385-W388 PolarHBondContact O-N 2.81Å; L385-I389 HydrophobicContact CD1-CD1 4.13Å; L385-I389 HydrophobicContact CD1-CG1 4.45Å; L385-I389 HydrophobicContact CG-CD1 3.96Å; L385-I389 WeakPolarHBondContact O-CD1 3.36Å; L385-I389 VanDerWaalsContact O-CG1 3.28Å; L385-I389 WeakPolarHBondContact O-CG1 3.46Å; L385-I389 PolarHBondContact O-N 3.22Å; L385-H511 VanDerWaalsContact CD2-CE1 3.48Å; L385-H511 WeakPolarHBondContact CD2-CE1 3.35Å |
| 386 | F | 84.6 | Confident | 80.1 | Confident | 17 Ų | 17 | 20.7 Ų | 20.7 | 8% | 0.075 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -72.1 | -40.1 | -178.4 | -56 | -34 | 0 | 0 | 0 | 111.4 | L380 T383 P384 W388 I389 V390 L413 F417 | L380-F386 WeakPolarHBondContact O-CB 3.41Å; L380-F386 WeakPolarHBondContact O-CD2 3.21Å; T383-F386 VanDerWaalsContact CB-CD2 3.5Å; T383-F386 HydrophobicContact CG2-CD2 3.93Å; T383-F386 HydrophobicContact CG2-CE2 4Å; T383-F386 HydrophobicContact CG2-CG 4.46Å; T383-F386 PolarHBondContact O-N 3.27Å; P384-F386 VanDerWaalsContact C-N 3.35Å; P384-F386 PolarHBondContact O-N 2.85Å; F386-W388 VanDerWaalsContact C-N 3.28Å; F386-W388 PolarHBondContact O-N 3.02Å; F386-I389 HydrophobicContact CD1-CD1 4.11Å; F386-I389 PolarHBondContact O-N 3.11Å; F386-V390 WeakPolarHBondContact O-CB 3.41Å; F386-V390 VanDerWaalsContact O-CG2 3.28Å; F386-V390 WeakPolarHBondContact O-CG2 3.47Å; F386-V390 PolarHBondContact O-N 3.32Å; F386-L413 HydrophobicContact CD1-CD1 4.05Å; F386-L413 HydrophobicContact CD2-CD1 4.29Å; F386-L413 HydrophobicContact CE1-CD1 3.67Å; F386-L413 HydrophobicContact CE2-CD1 3.93Å; F386-L413 HydrophobicContact CG-CD1 4.38Å; F386-L413 HydrophobicContact CZ-CD1 3.61Å; F386-F417 HydrophobicContact CD1-CE2 4.37Å; F386-F417 AromaticContact CE1-CE2 3.93Å; F386-F417 HydrophobicContact CE1-CE2 3.93Å; F386-F417 HydrophobicContact CE1-CZ 4.18Å |
| 387 | S | 86.9 | Confident | 80.3 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -54 | -46.9 | 169.5 | -94.6 | 0 | 0 | 0 | 0 | 112.1 | L350 C381 T383 P384 V390 F391 | L350-S387 VanDerWaalsContact CD1-OG 3.26Å; L350-S387 WeakPolarHBondContact CD1-OG 3.41Å; C381-S387 VanDerWaalsContact C-OG 3.31Å; C381-S387 VanDerWaalsContact CA-OG 3.3Å; C381-S387 WeakPolarHBondContact CA-OG 3.45Å; C381-S387 VanDerWaalsContact CB-OG 3.24Å; C381-S387 WeakPolarHBondContact CB-OG 3.46Å; C381-S387 PolarHBondContact O-OG 2.91Å; T383-S387 PolarHBondContact O-N 2.96Å; T383-S387 VanDerWaalsContact O-N 3.08Å; P384-S387 WeakPolarHBondContact O-CB 3.36Å; P384-S387 PolarHBondContact O-N 3.09Å; S387-V390 PolarHBondContact O-N 2.85Å; S387-F391 WeakPolarHBondContact O-CB 3.48Å; S387-F391 WeakPolarHBondContact O-CD2 3.15Å; S387-F391 WeakPolarHBondContact O-CG 3.39Å; S387-F391 PolarHBondContact O-N 3.28Å |
| 388 | W | 86.3 | Confident | 80.2 | Confident | 27 Ų | 27 | 23 Ų | 23 | 10% | 0.102 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.2 | -46.6 | 178.8 | -179.8 | 76.4 | 0 | 0 | 0 | 112.3 | Y140 P384 L385 F386 V390 K392 | Y140-W388 AromaticContact CD1-CH2 3.51Å; Y140-W388 HydrophobicContact CD1-CH2 3.51Å; Y140-W388 HydrophobicContact CD1-CZ2 4.48Å; Y140-W388 AromaticContact CD1-CZ3 3.96Å; Y140-W388 HydrophobicContact CD1-CZ3 3.96Å; Y140-W388 AromaticContact CD2-CH2 3.6Å; Y140-W388 HydrophobicContact CD2-CH2 3.6Å; Y140-W388 AromaticContact CD2-CZ2 3.84Å; Y140-W388 HydrophobicContact CD2-CZ2 3.84Å; Y140-W388 HydrophobicContact CD2-CZ3 4.27Å; Y140-W388 HydrophobicContact CE1-CE3 4.21Å; Y140-W388 AromaticContact CE1-CH2 3.22Å; Y140-W388 HydrophobicContact CE1-CH2 3.22Å; Y140-W388 HydrophobicContact CE1-CZ2 4.34Å; Y140-W388 AromaticContact CE1-CZ3 3.16Å; Y140-W388 HydrophobicContact CE1-CZ3 3.16Å; Y140-W388 HydrophobicContact CE2-CD2 4.32Å; Y140-W388 AromaticContact CE2-CE3 3.97Å; Y140-W388 HydrophobicContact CE2-CE3 3.97Å; Y140-W388 AromaticContact CE2-CH2 3.28Å; Y140-W388 HydrophobicContact CE2-CH2 3.28Å; Y140-W388 AromaticContact CE2-CZ2 3.63Å; Y140-W388 HydrophobicContact CE2-CZ2 3.63Å; Y140-W388 AromaticContact CE2-CZ3 3.5Å; Y140-W388 HydrophobicContact CE2-CZ3 3.5Å; Y140-W388 AromaticContact CG-CH2 3.74Å; Y140-W388 HydrophobicContact CG-CH2 3.74Å; Y140-W388 HydrophobicContact CG-CZ2 4.29Å; Y140-W388 HydrophobicContact CG-CZ3 4.48Å; Y140-W388 AromaticContact CZ-CE3 3.54Å; Y140-W388 AromaticContact CZ-CH2 3.11Å; Y140-W388 AromaticContact CZ-CZ2 3.94Å; Y140-W388 AromaticContact CZ-CZ3 2.9Å; Y140-W388 WeakPolarHBondContact OH-CZ3 3.39Å; P384-W388 WeakPolarHBondContact O-CB 3.26Å; P384-W388 PolarHBondContact O-N 2.88Å; L385-W388 HydrophobicContact CD1-CE3 4.28Å; L385-W388 PolarHBondContact O-N 2.81Å; F386-W388 VanDerWaalsContact C-N 3.28Å; F386-W388 PolarHBondContact O-N 3.02Å; W388-V390 PolarHBondContact O-N 3.38Å; W388-K392 HydrophobicContact CD2-CG 4.41Å; W388-K392 HydrophobicContact CG-CG 4.39Å; W388-K392 HydrophobicContact CZ2-CG 4.48Å; W388-K392 VanDerWaalsContact O-CB 3.27Å; W388-K392 WeakPolarHBondContact O-CB 3.36Å; W388-K392 WeakPolarHBondContact O-CG 3.35Å; W388-K392 PolarHBondContact O-N 3.3Å |
| 389 | I | 82.2 | Confident | 80.1 | Confident | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57 | -52.3 | 176.1 | -66.5 | 155.9 | 0 | 0 | 0 | 110.5 | Y140 L385 F386 F391 S393 I416 F417 L420 | Y140-I389 WeakPolarHBondContact OH-CA 3.24Å; Y140-I389 WeakPolarHBondContact OH-CG1 3.31Å; L385-I389 HydrophobicContact CD1-CD1 4.13Å; L385-I389 HydrophobicContact CD1-CG1 4.45Å; L385-I389 HydrophobicContact CG-CD1 3.96Å; L385-I389 WeakPolarHBondContact O-CD1 3.36Å; L385-I389 VanDerWaalsContact O-CG1 3.28Å; L385-I389 WeakPolarHBondContact O-CG1 3.46Å; L385-I389 PolarHBondContact O-N 3.22Å; F386-I389 HydrophobicContact CD1-CD1 4.11Å; F386-I389 PolarHBondContact O-N 3.11Å; I389-F391 PolarHBondContact O-N 3.26Å; I389-S393 WeakPolarHBondContact O-CB 3.29Å; I389-S393 PolarHBondContact O-N 3.23Å; I389-S393 PolarHBondContact O-OG 3.35Å; I389-I416 HydrophobicContact CB-CG2 4.02Å; I389-I416 HydrophobicContact CD1-CG2 4.25Å; I389-I416 HydrophobicContact CG2-CG2 3.5Å; I389-I416 VanDerWaalsContact CG2-CG2 3.5Å; I389-F417 HydrophobicContact CD1-CE1 4.45Å; I389-F417 HydrophobicContact CD1-CE2 4.44Å; I389-F417 HydrophobicContact CD1-CZ 4.05Å; I389-L420 HydrophobicContact CG1-CD2 4.36Å; I389-L420 HydrophobicContact CG2-CB 3.98Å; I389-L420 HydrophobicContact CG2-CD1 4.4Å |
| 390 | V | 82.8 | Confident | 79.8 | Confident | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.018 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.7 | -46.9 | -175.2 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | L377 F386 S387 W388 S393 F394 L406 I416 | L377-V390 HydrophobicContact CD1-CG2 4.22Å; F386-V390 WeakPolarHBondContact O-CB 3.41Å; F386-V390 VanDerWaalsContact O-CG2 3.28Å; F386-V390 WeakPolarHBondContact O-CG2 3.47Å; F386-V390 PolarHBondContact O-N 3.32Å; S387-V390 PolarHBondContact O-N 2.85Å; W388-V390 PolarHBondContact O-N 3.38Å; V390-S393 PolarHBondContact O-N 3.21Å; V390-F394 WeakPolarHBondContact O-CB 3.24Å; V390-F394 PolarHBondContact O-N 2.78Å; V390-L406 HydrophobicContact CG1-CD1 4.25Å; V390-L406 HydrophobicContact CG1-CD2 3.92Å; V390-I416 HydrophobicContact CG2-CD1 4.04Å; V390-I416 HydrophobicContact CG2-CG1 4.18Å; V390-I416 HydrophobicContact CG2-CG2 4.28Å |
| 391 | F | 85.7 | Confident | 79.2 | Confident | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.009 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -73 | -38.8 | -176.1 | -62.3 | -14.2 | 0 | 0 | 0 | 112.9 | L350 Y353 I354 Q357 F358 V367 L371 S387 I389 F394 R395 | L350-F391 HydrophobicContact CD1-CE2 4.09Å; L350-F391 HydrophobicContact CD1-CZ 4Å; Y353-F391 AromaticContact CD1-CD2 3.81Å; Y353-F391 HydrophobicContact CD1-CD2 3.81Å; Y353-F391 AromaticContact CD1-CE2 3.73Å; Y353-F391 HydrophobicContact CD1-CE2 3.73Å; Y353-F391 AromaticContact CE1-CD2 3.79Å; Y353-F391 HydrophobicContact CE1-CD2 3.79Å; Y353-F391 HydrophobicContact CE1-CE2 4.16Å; I354-F391 HydrophobicContact CD1-CZ 4.18Å; I354-F391 HydrophobicContact CG1-CE2 3.63Å; I354-F391 HydrophobicContact CG1-CZ 3.65Å; Q357-F391 HydrophobicContact CG-CD2 4.3Å; F358-F391 HydrophobicContact CE2-CB 3.95Å; F358-F391 HydrophobicContact CE2-CD1 4.15Å; F358-F391 HydrophobicContact CE2-CD2 4.22Å; F358-F391 AromaticContact CE2-CG 3.86Å; F358-F391 HydrophobicContact CE2-CG 3.86Å; F358-F391 HydrophobicContact CZ-CB 3.81Å; F358-F391 HydrophobicContact CZ-CD1 4.38Å; F358-F391 HydrophobicContact CZ-CG 4.15Å; V367-F391 HydrophobicContact CG1-CD1 4.07Å; V367-F391 HydrophobicContact CG1-CE1 3.54Å; V367-F391 HydrophobicContact CG1-CZ 4.13Å; L371-F391 HydrophobicContact CD1-CE1 4.07Å; L371-F391 HydrophobicContact CD1-CZ 3.9Å; S387-F391 WeakPolarHBondContact O-CB 3.48Å; S387-F391 WeakPolarHBondContact O-CD2 3.15Å; S387-F391 WeakPolarHBondContact O-CG 3.39Å; S387-F391 PolarHBondContact O-N 3.28Å; I389-F391 PolarHBondContact O-N 3.26Å; F391-F394 PolarHBondContact O-N 3.04Å; F391-R395 PolarHBondContact O-N 3.29Å |
| 392 | K | 80.5 | Confident | 77.9 | Confident | 31 Ų | 31 | 34.5 Ų | 34.5 | 14% | 0.135 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.7 | -40.9 | 173.5 | -75.2 | -72.4 | -172.8 | 169 | 0 | 111.5 | Y140 T146 W388 R395 H396 | Y140-K392 HydrophobicContact CD2-CB 4.48Å; Y140-K392 HydrophobicContact CE2-CB 4.03Å; Y140-K392 HydrophobicContact CE2-CG 4.44Å; T146-K392 PolarHBondContact OG1-NZ 2.92Å; W388-K392 HydrophobicContact CD2-CG 4.41Å; W388-K392 HydrophobicContact CG-CG 4.39Å; W388-K392 HydrophobicContact CZ2-CG 4.48Å; W388-K392 VanDerWaalsContact O-CB 3.27Å; W388-K392 WeakPolarHBondContact O-CB 3.36Å; W388-K392 WeakPolarHBondContact O-CG 3.35Å; W388-K392 PolarHBondContact O-N 3.3Å; K392-R395 PolarHBondContact O-N 3.29Å; K392-H396 WeakPolarHBondContact O-CB 3.32Å; K392-H396 PolarHBondContact O-N 3.41Å |
| 393 | S | 78.2 | Confident | 76.9 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.007 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.9 | -42.4 | 177 | -57.7 | 0 | 0 | 0 | 0 | 111.8 | I389 V390 R395 H396 L397 L419 | I389-S393 WeakPolarHBondContact O-CB 3.29Å; I389-S393 PolarHBondContact O-N 3.23Å; I389-S393 PolarHBondContact O-OG 3.35Å; V390-S393 PolarHBondContact O-N 3.21Å; S393-R395 PolarHBondContact O-N 3.15Å; S393-H396 PolarHBondContact O-N 3.34Å; S393-L397 WeakPolarHBondContact O-CB 3.41Å; S393-L397 WeakPolarHBondContact O-CG 3.42Å; S393-L397 PolarHBondContact O-N 2.58Å; S393-L419 VanDerWaalsContact CB-CD2 3.47Å |
| 394 | F | 78.8 | Confident | 75.9 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.009 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.9 | -49.3 | 173.5 | 178.3 | -84.7 | 0 | 0 | 0 | 111 | F358 L366 V367 V390 F391 H396 L397 H398 F404 L406 | F358-F394 AromaticContact CE1-CD1 3.65Å; F358-F394 HydrophobicContact CE1-CD1 3.65Å; F358-F394 HydrophobicContact CE1-CE1 4.12Å; F358-F394 AromaticContact CZ-CD1 3.92Å; F358-F394 HydrophobicContact CZ-CD1 3.92Å; L366-F394 HydrophobicContact CD2-CE2 4.26Å; L366-F394 HydrophobicContact CD2-CZ 3.92Å; V367-F394 HydrophobicContact CG2-CD1 4.2Å; V367-F394 HydrophobicContact CG2-CD2 4.39Å; V367-F394 HydrophobicContact CG2-CE1 4.09Å; V367-F394 HydrophobicContact CG2-CE2 4.3Å; V367-F394 HydrophobicContact CG2-CG 4.37Å; V367-F394 HydrophobicContact CG2-CZ 4.16Å; V390-F394 WeakPolarHBondContact O-CB 3.24Å; V390-F394 PolarHBondContact O-N 2.78Å; F391-F394 PolarHBondContact O-N 3.04Å; F394-H396 PolarHBondContact O-N 3.16Å; F394-L397 PolarHBondContact O-N 3.35Å; F394-H398 WeakPolarHBondContact O-CB 3.35Å; F394-H398 PolarHBondContact O-N 2.94Å; F394-F404 HydrophobicContact CB-CE1 4.11Å; F394-F404 AromaticContact CD2-CD1 3.54Å; F394-F404 HydrophobicContact CD2-CD1 3.54Å; F394-F404 AromaticContact CD2-CE1 3.6Å; F394-F404 HydrophobicContact CD2-CE1 3.6Å; F394-F404 AromaticContact CE2-CD1 3.95Å; F394-F404 HydrophobicContact CE2-CD1 3.95Å; F394-F404 HydrophobicContact CE2-CE1 4.4Å; F394-F404 HydrophobicContact CG-CD1 4.24Å; F394-F404 HydrophobicContact CG-CE1 4.21Å; F394-L406 HydrophobicContact CD2-CD2 4.33Å; F394-L406 HydrophobicContact CD2-CG 4.13Å |
| 395 | R | 77.6 | Confident | 74.6 | Confident | 139 Ų | 139 | 41.5 Ų | 41.5 | 53% | 0.525 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.9 | -45.6 | 179 | -177.1 | 175.3 | 168.3 | 176.9 | -7 | 112.4 | F391 K392 S393 T399 | F391-R395 PolarHBondContact O-N 3.29Å; K392-R395 PolarHBondContact O-N 3.29Å; S393-R395 PolarHBondContact O-N 3.15Å; R395-T399 WeakPolarHBondContact O-CG2 3.23Å; R395-T399 PolarHBondContact O-N 2.56Å; R395-T399 VanDerWaalsContact O-N 3.15Å; R395-T399 PolarHBondContact O-OG1 2.63Å |
| 396 | H | 74.5 | Confident | 73.5 | Confident | 49 Ų | 49 | 40.8 Ų | 40.8 | 23% | 0.227 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.6 | -41.1 | -178.8 | -176.1 | 81.4 | 0 | 0 | 0 | 112.9 | K392 S393 F394 T399 I400 V423 S426 | K392-H396 WeakPolarHBondContact O-CB 3.32Å; K392-H396 PolarHBondContact O-N 3.41Å; S393-H396 PolarHBondContact O-N 3.34Å; F394-H396 PolarHBondContact O-N 3.16Å; H396-T399 PolarHBondContact O-N 2.77Å; H396-T399 PolarHBondContact O-OG1 3.34Å; H396-I400 WeakPolarHBondContact NE2-CD1 3.13Å; H396-I400 WeakPolarHBondContact O-CG1 3.09Å; H396-I400 PolarHBondContact O-N 3.41Å; H396-V423 HydrophobicContact CB-CG1 4.29Å; H396-S426 PolarHBondContact NE2-OG 3.36Å |
| 397 | L | 71 | Confident | 72.3 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -76.5 | -30.8 | -179.3 | -67.4 | 174.5 | 0 | 0 | 0 | 112.3 | S393 F394 T399 I400 H401 F404 L419 V423 | S393-L397 WeakPolarHBondContact O-CB 3.41Å; S393-L397 WeakPolarHBondContact O-CG 3.42Å; S393-L397 PolarHBondContact O-N 2.58Å; F394-L397 PolarHBondContact O-N 3.35Å; L397-T399 VanDerWaalsContact C-N 3.33Å; L397-I400 PolarHBondContact O-N 2.82Å; L397-H401 WeakPolarHBondContact O-CB 3.29Å; L397-H401 PolarHBondContact O-N 2.76Å; L397-F404 HydrophobicContact CB-CB 4.49Å; L397-F404 HydrophobicContact CB-CD1 4.46Å; L397-F404 HydrophobicContact CB-CD2 3.74Å; L397-F404 HydrophobicContact CB-CE2 4Å; L397-F404 HydrophobicContact CB-CG 3.99Å; L397-F404 HydrophobicContact CD1-CD2 3.89Å; L397-F404 HydrophobicContact CD1-CE2 3.33Å; L397-F404 HydrophobicContact CD1-CZ 3.81Å; L397-F404 HydrophobicContact CG-CD2 4.48Å; L397-F404 HydrophobicContact CG-CE2 4.32Å; L397-L419 HydrophobicContact CD1-CD1 3.44Å; L397-L419 VanDerWaalsContact CD1-CD1 3.44Å; L397-V423 HydrophobicContact CD1-CG2 4.38Å; L397-V423 HydrophobicContact CD2-CG2 4.44Å; L397-V423 HydrophobicContact CG-CG2 4.2Å |
| 398 | H | 72.3 | Confident | 70.4 | Confident | 63 Ų | 63 | 52.4 Ų | 52.4 | 29% | 0.292 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -71 | -26.4 | 172.9 | -163.2 | -79.1 | 0 | 0 | 0 | 112.8 | H363 F394 H401 | H363-H398 AromaticContact NE2-CE1 3.2Å; H363-H398 PolarHBondContact NE2-CE1 3.36Å; H363-H398 AromaticContact NE2-ND1 3.54Å; H363-H398 AromaticContact NE2-NE2 3.63Å; F394-H398 WeakPolarHBondContact O-CB 3.35Å; F394-H398 PolarHBondContact O-N 2.94Å; H398-H401 VanDerWaalsContact O-O 3.07Å |
| 399 | T | 71.7 | Confident | 68.8 | Low | 80 Ų | 80 | 56 Ų | 56 | 49% | 0.491 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -75 | -30.2 | 171.5 | 55 | 0 | 0 | 0 | 0 | 112.1 | R395 H396 L397 K438 | R395-T399 WeakPolarHBondContact O-CG2 3.23Å; R395-T399 PolarHBondContact O-N 2.56Å; R395-T399 VanDerWaalsContact O-N 3.15Å; R395-T399 PolarHBondContact O-OG1 2.63Å; H396-T399 PolarHBondContact O-N 2.77Å; H396-T399 PolarHBondContact O-OG1 3.34Å; L397-T399 VanDerWaalsContact C-N 3.33Å; T399-K438 PolarHBondContact O-NZ 3.4Å |
| 400 | I | 63.9 | Low | 67.6 | Low | 61 Ų | 61 | 59.4 Ų | 59.4 | 31% | 0.313 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -87.5 | -31.5 | -178.8 | -64.5 | 175.4 | 0 | 0 | 0 | 112.7 | H396 L397 K438 | H396-I400 WeakPolarHBondContact NE2-CD1 3.13Å; H396-I400 WeakPolarHBondContact O-CG1 3.09Å; H396-I400 PolarHBondContact O-N 3.41Å; L397-I400 PolarHBondContact O-N 2.82Å; I400-K438 WeakPolarHBondContact O-CB 3.09Å; I400-K438 WeakPolarHBondContact O-CD 3.42Å |
| 401 | H | 65.6 | Low | 67.1 | Low | 24 Ų | 24 | 59.7 Ų | 59.7 | 11% | 0.111 | 31% | 0.311 | C | S | . | . | trans | -127.4 | 142 | -175.9 | -59.8 | -69.7 | 0 | 0 | 0 | 111.8 | L397 H398 T403 S439 | L397-H401 WeakPolarHBondContact O-CB 3.29Å; L397-H401 PolarHBondContact O-N 2.76Å; H398-H401 VanDerWaalsContact O-O 3.07Å; H401-T403 VanDerWaalsContact C-N 3.28Å; H401-T403 PolarHBondContact O-N 3.19Å; H401-S439 PolarHBondContact ND1-O 2.99Å | ||
| 402 | D | 55.6 | Low | 66.9 | Low | 113 Ų | 113 | 60.1 Ų | 60.1 | 60% | 0.604 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -70.6 | -19.9 | -176.7 | -65.5 | -23.4 | 0 | 0 | 0 | 113.7 | ||
| 403 | T | 59.2 | Low | 67 | Low | 111 Ų | 111 | 59.2 Ų | 59.2 | 68% | 0.681 | 31% | 0.311 | S | S | * | . | trans | -136.9 | 102.9 | 178.8 | 57.1 | 0 | 0 | 0 | 0 | 110.8 | H401 | H401-T403 VanDerWaalsContact C-N 3.28Å; H401-T403 PolarHBondContact O-N 3.19Å | ||
| 404 | F | 62.8 | Low | 67.5 | Low | 4 Ų | 4 | 59.2 Ų | 59.2 | 2% | 0.018 | 31% | 0.311 | C | S | . | . | trans | -125.5 | 115.2 | 168.5 | -179.3 | -93.8 | 0 | 0 | 0 | 109.9 | F394 L397 L406 L419 | F394-F404 HydrophobicContact CB-CE1 4.11Å; F394-F404 AromaticContact CD2-CD1 3.54Å; F394-F404 HydrophobicContact CD2-CD1 3.54Å; F394-F404 AromaticContact CD2-CE1 3.6Å; F394-F404 HydrophobicContact CD2-CE1 3.6Å; F394-F404 AromaticContact CE2-CD1 3.95Å; F394-F404 HydrophobicContact CE2-CD1 3.95Å; F394-F404 HydrophobicContact CE2-CE1 4.4Å; F394-F404 HydrophobicContact CG-CD1 4.24Å; F394-F404 HydrophobicContact CG-CE1 4.21Å; L397-F404 HydrophobicContact CB-CB 4.49Å; L397-F404 HydrophobicContact CB-CD1 4.46Å; L397-F404 HydrophobicContact CB-CD2 3.74Å; L397-F404 HydrophobicContact CB-CE2 4Å; L397-F404 HydrophobicContact CB-CG 3.99Å; L397-F404 HydrophobicContact CD1-CD2 3.89Å; L397-F404 HydrophobicContact CD1-CE2 3.33Å; L397-F404 HydrophobicContact CD1-CZ 3.81Å; L397-F404 HydrophobicContact CG-CD2 4.48Å; L397-F404 HydrophobicContact CG-CE2 4.32Å; F404-L406 HydrophobicContact CE1-CD2 3.96Å; F404-L406 HydrophobicContact CZ-CD2 4.33Å; F404-L419 HydrophobicContact CE2-CD1 4.31Å; F404-L419 HydrophobicContact CZ-CD1 4.19Å | ||
| 405 | H | 61.3 | Low | 67.7 | Low | 116 Ų | 116 | 60.6 Ų | 60.6 | 54% | 0.537 | 32% | 0.318 | S | S | . | . | trans | -108.1 | 145.6 | 165.9 | -63.9 | -60.9 | 0 | 0 | 0 | 108.7 | ||||
| 406 | L | 62.4 | Low | 68 | Low | 9 Ų | 9 | 54.1 Ų | 54.1 | 5% | 0.047 | 29% | 0.294 | C | S | . | . | trans | -60 | 139.7 | 168 | -66.3 | 169.6 | 0 | 0 | 0 | 108.5 | Q370 L377 V390 F394 F404 E408 | Q370-L406 HydrophobicContact CB-CD1 4.14Å; Q370-L406 VanDerWaalsContact OE1-CB 3.24Å; L377-L406 HydrophobicContact CD2-CD1 3.98Å; V390-L406 HydrophobicContact CG1-CD1 4.25Å; V390-L406 HydrophobicContact CG1-CD2 3.92Å; F394-L406 HydrophobicContact CD2-CD2 4.33Å; F394-L406 HydrophobicContact CD2-CG 4.13Å; F404-L406 HydrophobicContact CE1-CD2 3.96Å; F404-L406 HydrophobicContact CZ-CD2 4.33Å; L406-E408 PolarHBondContact O-N 2.97Å | ||
| 407 | P | 58.1 | Low | 68.6 | Low | 64 Ų | 64 | 52 Ų | 52 | 42% | 0.416 | 28% | 0.284 | S | S | . | . | trans | -54.3 | 131.7 | -178.1 | -23.3 | 30 | 0 | 0 | 0 | 112.2 | T409 I411 | P407-T409 VanDerWaalsContact C-N 3.27Å; P407-T409 PolarHBondContact O-N 3.07Å; P407-I411 HydrophobicContact CB-CD1 4.23Å; P407-I411 HydrophobicContact CB-CG1 4.04Å; P407-I411 HydrophobicContact CG-CD1 4.22Å; P407-I411 HydrophobicContact CG-CG1 4.3Å | ||
| 408 | E | 48.6 | Very low | 69.4 | Low | 198 Ų | 198 | 52.3 Ų | 52.3 | 93% | 0.925 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -72.3 | -17.2 | -177.8 | -65.7 | -176.7 | 165.7 | 0 | 0 | 113.7 | L406 | L406-E408 PolarHBondContact O-N 2.97Š|
| 409 | T | 51.3 | Low | 69.9 | Low | 103 Ų | 103 | 50.2 Ų | 50.2 | 63% | 0.632 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -86.7 | 165.7 | -179.6 | 51.8 | 0 | 0 | 0 | 0 | 112.3 | P407 I411 | P407-T409 VanDerWaalsContact C-N 3.27Å; P407-T409 PolarHBondContact O-N 3.07Å; T409-I411 WeakPolarHBondContact O-CG1 3.18Å; T409-I411 PolarHBondContact O-N 3.12Å |
| 410 | S | 58.3 | Low | 70.6 | Confident | 72 Ų | 72 | 46.6 Ų | 46.6 | 50% | 0.503 | 25% | 0.254 | S | S | . | . | trans | -52.3 | 91.2 | 175.9 | 56 | 0 | 0 | 0 | 0 | 112.2 | T412 | S410-T412 PolarHBondContact O-N 3.16Š| ||
| 411 | I | 72.8 | Confident | 71.7 | Confident | 9 Ų | 9 | 43.7 Ų | 43.7 | 5% | 0.046 | 24% | 0.239 | C | C | . | . | trans | -64 | 117 | 178.1 | -64.5 | 173.6 | 0 | 0 | 0 | 107.5 | H376 L377 P407 T409 D415 I416 | H376-I411 PolarHBondContact CD2-O 3.21Å; H376-I411 PolarHBondContact NE2-O 2.97Å; L377-I411 HydrophobicContact CD1-CD1 3.96Å; L377-I411 HydrophobicContact CD1-CG2 4.33Å; L377-I411 HydrophobicContact CD2-CD1 3.95Å; L377-I411 HydrophobicContact CG-CD1 4.39Å; P407-I411 HydrophobicContact CB-CD1 4.23Å; P407-I411 HydrophobicContact CB-CG1 4.04Å; P407-I411 HydrophobicContact CG-CD1 4.22Å; P407-I411 HydrophobicContact CG-CG1 4.3Å; T409-I411 WeakPolarHBondContact O-CG1 3.18Å; T409-I411 PolarHBondContact O-N 3.12Å; I411-D415 HydrophobicContact CG2-CB 3.92Å; I411-I416 HydrophobicContact CG2-CD1 4.45Å; I411-I416 HydrophobicContact CG2-CG1 3.83Å | ||
| 412 | T | 80.1 | Confident | 72.7 | Confident | 12 Ų | 12 | 42.9 Ų | 42.9 | 7% | 0.074 | 24% | 0.236 | C | C | . | . | trans | -86.1 | 170.4 | 176.5 | 82.4 | 0 | 0 | 0 | 0 | 110.7 | S410 T414 D415 I416 F649 E650 | S410-T412 PolarHBondContact O-N 3.16Å; T412-T414 PolarHBondContact O-N 3.45Å; T412-T414 PolarHBondContact OG1-N 2.72Å; T412-D415 PolarHBondContact N-OD2 2.95Å; T412-D415 WeakPolarHBondContact O-CB 3.47Å; T412-D415 PolarHBondContact O-N 2.94Å; T412-D415 VanDerWaalsContact O-N 3.14Å; T412-D415 PolarHBondContact OG1-N 3.34Å; T412-I416 PolarHBondContact O-N 2.82Å; T412-F649 HydrophobicContact CG2-CE1 4.32Å; T412-E650 VanDerWaalsContact CB-CD 3.41Å; T412-E650 VanDerWaalsContact CB-OE1 3.31Å; T412-E650 WeakPolarHBondContact CB-OE1 3.42Å; T412-E650 WeakPolarHBondContact CB-OE2 3.44Å; T412-E650 PolarHBondContact OG1-OE2 3.35Å | ||
| 413 | L | 83 | Confident | 74 | Confident | 12 Ų | 12 | 37.8 Ų | 37.8 | 6% | 0.063 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.6 | -35.4 | 175.7 | -170.2 | 67.3 | 0 | 0 | 0 | 110.3 | L380 F386 D415 I416 F417 F576 L579 F580 E650 | L380-L413 HydrophobicContact CD2-CD1 4.42Å; F386-L413 HydrophobicContact CD1-CD1 4.05Å; F386-L413 HydrophobicContact CD2-CD1 4.29Å; F386-L413 HydrophobicContact CE1-CD1 3.67Å; F386-L413 HydrophobicContact CE2-CD1 3.93Å; F386-L413 HydrophobicContact CG-CD1 4.38Å; F386-L413 HydrophobicContact CZ-CD1 3.61Å; L413-D415 VanDerWaalsContact C-N 3.29Å; L413-D415 PolarHBondContact O-N 3.25Å; L413-I416 PolarHBondContact O-N 2.86Å; L413-F417 HydrophobicContact CD1-CD2 4.44Å; L413-F417 HydrophobicContact CD1-CE2 4.04Å; L413-F417 HydrophobicContact CG-CD2 4.27Å; L413-F417 HydrophobicContact CG-CE2 4.17Å; L413-F417 WeakPolarHBondContact O-CD2 3.42Å; L413-F417 PolarHBondContact O-N 3.13Å; L413-F576 HydrophobicContact CD2-CD1 3.93Å; L413-F576 HydrophobicContact CD2-CE1 3.76Å; L413-L579 HydrophobicContact CB-CD2 4.09Å; L413-L579 HydrophobicContact CD2-CD2 4.02Å; L413-F580 HydrophobicContact CB-CE1 4.35Å; L413-F580 HydrophobicContact CD2-CE1 3.97Å; L413-F580 HydrophobicContact CD2-CZ 3.87Å; L413-F580 HydrophobicContact CG-CE1 3.81Å; L413-F580 HydrophobicContact CG-CZ 4.08Å; L413-E650 WeakPolarHBondContact CB-OE1 3.11Å; L413-E650 PolarHBondContact N-OE1 3.26Å |
| 414 | T | 87.6 | Confident | 75.2 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.3 | -39.1 | 175.1 | -51.5 | 0 | 0 | 0 | 0 | 112.1 | T412 I416 F417 L418 F517 F580 L584 E650 | T412-T414 PolarHBondContact O-N 3.45Å; T412-T414 PolarHBondContact OG1-N 2.72Å; T414-I416 VanDerWaalsContact C-N 3.31Å; T414-I416 PolarHBondContact O-N 3.1Å; T414-F417 PolarHBondContact O-N 2.98Å; T414-L418 HydrophobicContact CG2-CD1 4.09Å; T414-L418 HydrophobicContact CG2-CG 4.37Å; T414-L418 WeakPolarHBondContact O-CB 3.49Å; T414-L418 WeakPolarHBondContact O-CG 3.41Å; T414-L418 PolarHBondContact O-N 3.14Å; T414-F517 HydrophobicContact CG2-CE2 4.23Å; T414-F580 HydrophobicContact CG2-CD1 4.43Å; T414-L584 HydrophobicContact CG2-CD2 3.98Å; T414-L584 HydrophobicContact CG2-CG 3.99Å; T414-E650 VanDerWaalsContact CB-OE2 3.25Å; T414-E650 WeakPolarHBondContact CB-OE2 3.22Å; T414-E650 PolarHBondContact N-OE2 3.15Å; T414-E650 PolarHBondContact OG1-OE2 3.21Å |
| 415 | D | 84.3 | Confident | 76.3 | Confident | 32 Ų | 32 | 32.4 Ų | 32.4 | 17% | 0.171 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64 | -36.3 | 178.4 | -63.4 | -35 | 0 | 0 | 0 | 111.9 | I411 T412 L413 L418 L419 Q589 | I411-D415 HydrophobicContact CG2-CB 3.92Å; T412-D415 PolarHBondContact N-OD2 2.95Å; T412-D415 WeakPolarHBondContact O-CB 3.47Å; T412-D415 PolarHBondContact O-N 2.94Å; T412-D415 VanDerWaalsContact O-N 3.14Å; T412-D415 PolarHBondContact OG1-N 3.34Å; L413-D415 VanDerWaalsContact C-N 3.29Å; L413-D415 PolarHBondContact O-N 3.25Å; D415-L418 PolarHBondContact O-N 3.17Å; D415-L419 WeakPolarHBondContact O-CB 3.49Å; D415-L419 PolarHBondContact O-N 3.43Å; D415-Q589 PolarHBondContact OD1-NE2 2.87Å |
| 416 | I | 83.6 | Confident | 77.1 | Confident | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.015 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.9 | -42.7 | 175.6 | -64.9 | 178.5 | 0 | 0 | 0 | 111.3 | L380 I389 V390 I411 T412 L413 T414 L419 L420 | L380-I416 HydrophobicContact CB-CD1 4.3Å; L380-I416 HydrophobicContact CD1-CD1 3.73Å; I389-I416 HydrophobicContact CB-CG2 4.02Å; I389-I416 HydrophobicContact CD1-CG2 4.25Å; I389-I416 HydrophobicContact CG2-CG2 3.5Å; I389-I416 VanDerWaalsContact CG2-CG2 3.5Å; V390-I416 HydrophobicContact CG2-CD1 4.04Å; V390-I416 HydrophobicContact CG2-CG1 4.18Å; V390-I416 HydrophobicContact CG2-CG2 4.28Å; I411-I416 HydrophobicContact CG2-CD1 4.45Å; I411-I416 HydrophobicContact CG2-CG1 3.83Å; T412-I416 PolarHBondContact O-N 2.82Å; L413-I416 PolarHBondContact O-N 2.86Å; T414-I416 VanDerWaalsContact C-N 3.31Å; T414-I416 PolarHBondContact O-N 3.1Å; I416-L419 WeakPolarHBondContact O-CB 3.06Å; I416-L419 PolarHBondContact O-N 3.49Å; I416-L420 PolarHBondContact O-N 3.11Å |
| 417 | F | 87.3 | Confident | 77.9 | Confident | 3 Ų | 3 | 31.3 Ų | 31.3 | 1% | 0.013 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -78.3 | -27.4 | 179.7 | -79 | -94 | 0 | 0 | 0 | 113.2 | F386 I389 L413 T414 L420 S421 T513 L514 F517 F580 | F386-F417 HydrophobicContact CD1-CE2 4.37Å; F386-F417 AromaticContact CE1-CE2 3.93Å; F386-F417 HydrophobicContact CE1-CE2 3.93Å; F386-F417 HydrophobicContact CE1-CZ 4.18Å; I389-F417 HydrophobicContact CD1-CE1 4.45Å; I389-F417 HydrophobicContact CD1-CE2 4.44Å; I389-F417 HydrophobicContact CD1-CZ 4.05Å; L413-F417 HydrophobicContact CD1-CD2 4.44Å; L413-F417 HydrophobicContact CD1-CE2 4.04Å; L413-F417 HydrophobicContact CG-CD2 4.27Å; L413-F417 HydrophobicContact CG-CE2 4.17Å; L413-F417 WeakPolarHBondContact O-CD2 3.42Å; L413-F417 PolarHBondContact O-N 3.13Å; T414-F417 PolarHBondContact O-N 2.98Å; F417-L420 HydrophobicContact CD1-CD2 4.35Å; F417-L420 PolarHBondContact O-N 3.07Å; F417-S421 WeakPolarHBondContact O-CB 3.41Å; F417-S421 PolarHBondContact O-N 3.27Å; F417-S421 PolarHBondContact O-OG 3.34Å; F417-T513 VanDerWaalsContact CZ-OG1 3.29Å; F417-T513 WeakPolarHBondContact CZ-OG1 3.3Å; F417-L514 HydrophobicContact CD1-CB 4.48Å; F417-L514 HydrophobicContact CD1-CD1 4.04Å; F417-L514 HydrophobicContact CE1-CB 4.14Å; F417-L514 HydrophobicContact CE1-CD1 4.49Å; F417-F517 HydrophobicContact CB-CB 4.27Å; F417-F517 HydrophobicContact CB-CD1 4.13Å; F417-F517 HydrophobicContact CB-CD2 3.52Å; F417-F517 HydrophobicContact CB-CE1 4.39Å; F417-F517 HydrophobicContact CB-CE2 3.8Å; F417-F517 HydrophobicContact CB-CG 3.69Å; F417-F517 HydrophobicContact CB-CZ 4.23Å; F417-F517 HydrophobicContact CD1-CB 4.15Å; F417-F517 HydrophobicContact CD1-CG 4.34Å; F417-F517 HydrophobicContact CG-CB 4.32Å; F417-F517 HydrophobicContact CG-CD2 4.37Å; F417-F517 HydrophobicContact CG-CG 4.26Å; F417-F580 HydrophobicContact CB-CE1 4.25Å; F417-F580 AromaticContact CD2-CE1 3.58Å; F417-F580 HydrophobicContact CD2-CE1 3.58Å; F417-F580 AromaticContact CD2-CZ 3.55Å; F417-F580 HydrophobicContact CD2-CZ 3.55Å; F417-F580 HydrophobicContact CE2-CE1 4.19Å; F417-F580 AromaticContact CE2-CZ 3.75Å; F417-F580 HydrophobicContact CE2-CZ 3.75Å; F417-F580 HydrophobicContact CG-CE1 4.01Å; F417-F580 AromaticContact CG-CZ 3.99Å; F417-F580 HydrophobicContact CG-CZ 3.99Å; F417-F580 HydrophobicContact CZ-CZ 4.34Å |
| 418 | L | 87.6 | Confident | 78.6 | Confident | 10 Ų | 10 | 31.7 Ų | 31.7 | 5% | 0.052 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.7 | -44 | 166.7 | -77.8 | 169.7 | 0 | 0 | 0 | 110.8 | T414 D415 L420 S421 E422 F447 F517 L584 Q589 L592 | T414-L418 HydrophobicContact CG2-CD1 4.09Å; T414-L418 HydrophobicContact CG2-CG 4.37Å; T414-L418 WeakPolarHBondContact O-CB 3.49Å; T414-L418 WeakPolarHBondContact O-CG 3.41Å; T414-L418 PolarHBondContact O-N 3.14Å; D415-L418 PolarHBondContact O-N 3.17Å; L418-L420 VanDerWaalsContact C-N 3.32Å; L418-L420 PolarHBondContact O-N 3.19Å; L418-S421 PolarHBondContact O-N 2.96Å; L418-E422 WeakPolarHBondContact O-CB 3.39Å; L418-E422 PolarHBondContact O-N 3.37Å; L418-F447 HydrophobicContact CD2-CE1 4.17Å; L418-F447 HydrophobicContact CD2-CZ 3.93Å; L418-F447 WeakPolarHBondContact O-CZ 3.46Å; L418-F517 HydrophobicContact CD2-CE2 4.38Å; L418-F517 HydrophobicContact CD2-CZ 3.94Å; L418-F517 HydrophobicContact CG-CE2 4.21Å; L418-F517 HydrophobicContact CG-CZ 4.16Å; L418-L584 HydrophobicContact CD1-CD2 4.37Å; L418-L584 HydrophobicContact CD2-CD2 3.98Å; L418-L584 HydrophobicContact CG-CD2 4.37Å; L418-Q589 HydrophobicContact CD1-CG 3.92Å; L418-L592 HydrophobicContact CD2-CD2 4.05Å |
| 419 | L | 83.9 | Confident | 79.3 | Confident | 18 Ų | 18 | 25.7 Ų | 25.7 | 9% | 0.094 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.5 | -44.1 | 174.5 | -175.7 | 68 | 0 | 0 | 0 | 111.4 | S393 L397 F404 D415 I416 S421 E422 V423 | S393-L419 VanDerWaalsContact CB-CD2 3.47Å; L397-L419 HydrophobicContact CD1-CD1 3.44Å; L397-L419 VanDerWaalsContact CD1-CD1 3.44Å; F404-L419 HydrophobicContact CE2-CD1 4.31Å; F404-L419 HydrophobicContact CZ-CD1 4.19Å; D415-L419 WeakPolarHBondContact O-CB 3.49Å; D415-L419 PolarHBondContact O-N 3.43Å; I416-L419 WeakPolarHBondContact O-CB 3.06Å; I416-L419 PolarHBondContact O-N 3.49Å; L419-S421 PolarHBondContact O-N 3.5Å; L419-E422 WeakPolarHBondContact O-CB 3.38Å; L419-E422 PolarHBondContact O-N 3.44Å; L419-V423 WeakPolarHBondContact O-CG2 3.12Å; L419-V423 PolarHBondContact O-N 3.4Å |
| 420 | L | 85.5 | Confident | 79.4 | Confident | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.6 | -45.2 | 175.9 | 179.4 | 58.3 | 0 | 0 | 0 | 112 | Y140 I389 I416 F417 L418 E422 V423 F424 L514 | Y140-L420 HydrophobicContact CD1-CD1 4.06Å; Y140-L420 HydrophobicContact CD2-CD1 4.42Å; Y140-L420 HydrophobicContact CE1-CD1 3.41Å; Y140-L420 VanDerWaalsContact CE1-CD1 3.41Å; Y140-L420 HydrophobicContact CE1-CD2 4.13Å; Y140-L420 HydrophobicContact CE1-CG 4.37Å; Y140-L420 HydrophobicContact CE2-CD1 3.85Å; Y140-L420 HydrophobicContact CG-CD1 4.48Å; Y140-L420 WeakPolarHBondContact OH-CD1 3.4Å; I389-L420 HydrophobicContact CG1-CD2 4.36Å; I389-L420 HydrophobicContact CG2-CB 3.98Å; I389-L420 HydrophobicContact CG2-CD1 4.4Å; I416-L420 PolarHBondContact O-N 3.11Å; F417-L420 HydrophobicContact CD1-CD2 4.35Å; F417-L420 PolarHBondContact O-N 3.07Å; L418-L420 VanDerWaalsContact C-N 3.32Å; L418-L420 PolarHBondContact O-N 3.19Å; L420-E422 VanDerWaalsContact C-N 3.35Å; L420-V423 WeakPolarHBondContact O-CB 3.17Å; L420-V423 PolarHBondContact O-N 2.71Å; L420-F424 HydrophobicContact CD1-CD1 4.27Å; L420-F424 HydrophobicContact CD1-CE1 3.45Å; L420-F424 VanDerWaalsContact CD1-CE1 3.45Å; L420-F424 HydrophobicContact CD1-CE2 4.39Å; L420-F424 HydrophobicContact CD1-CZ 3.53Å; L420-F424 HydrophobicContact CD2-CZ 4.32Å; L420-F424 HydrophobicContact CG-CE1 4.19Å; L420-F424 HydrophobicContact CG-CE2 4.32Å; L420-F424 HydrophobicContact CG-CZ 3.9Å; L420-F424 PolarHBondContact O-N 2.75Å; L420-F424 VanDerWaalsContact O-N 3.12Å; L420-L514 HydrophobicContact CD2-CD1 4.25Å |
| 421 | S | 87.6 | Confident | 79 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.9 | -38.8 | 179.2 | -58.4 | 0 | 0 | 0 | 0 | 111.6 | F417 L418 L419 V423 F424 L425 F517 | F417-S421 WeakPolarHBondContact O-CB 3.41Å; F417-S421 PolarHBondContact O-N 3.27Å; F417-S421 PolarHBondContact O-OG 3.34Å; L418-S421 PolarHBondContact O-N 2.96Å; L419-S421 PolarHBondContact O-N 3.5Å; S421-V423 VanDerWaalsContact C-N 3.31Å; S421-V423 PolarHBondContact O-N 3.38Å; S421-F424 PolarHBondContact O-N 3.23Å; S421-L425 WeakPolarHBondContact O-CB 3.46Å; S421-L425 VanDerWaalsContact O-CG 3.28Å; S421-L425 WeakPolarHBondContact O-CG 3.34Å; S421-L425 PolarHBondContact O-N 3.37Å; S421-F517 VanDerWaalsContact OG-CE1 3.25Å; S421-F517 WeakPolarHBondContact OG-CE1 3.5Å |
| 422 | E | 85.6 | Confident | 77.6 | Confident | 7 Ų | 7 | 33 Ų | 33 | 3% | 0.033 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.6 | -43.7 | 173.2 | -173 | -174.8 | 178.9 | 0 | 0 | 111.3 | L418 L419 L420 F424 L425 S426 R441 T443 T446 F447 | L418-E422 WeakPolarHBondContact O-CB 3.39Å; L418-E422 PolarHBondContact O-N 3.37Å; L419-E422 WeakPolarHBondContact O-CB 3.38Å; L419-E422 PolarHBondContact O-N 3.44Å; L420-E422 VanDerWaalsContact C-N 3.35Å; E422-F424 PolarHBondContact O-N 2.96Å; E422-L425 PolarHBondContact O-N 3.5Å; E422-S426 VanDerWaalsContact O-CB 3.31Å; E422-S426 WeakPolarHBondContact O-CB 3.48Å; E422-S426 PolarHBondContact O-N 3.49Å; E422-R441 IonicContact OE1-CZ 3.39Å; E422-R441 IonicContact OE1-NE 2.85Å; E422-R441 PolarHBondContact OE1-NE 2.93Å; E422-R441 IonicContact OE1-NH2 3.55Å; E422-R441 PolarHBondContact OE1-NH2 3.06Å; E422-R441 IonicContact OE2-CZ 2.7Å; E422-R441 IonicContact OE2-NE 2.68Å; E422-R441 IonicContact OE2-NH2 3.92Å; E422-R441 PolarHBondContact OE2-NH2 3.3Å; E422-T443 WeakPolarHBondContact OE1-CG2 3.43Å; E422-T443 WeakPolarHBondContact OE2-CG2 3.33Å; E422-T446 HydrophobicContact CG-CG2 4.36Å; E422-F447 HydrophobicContact CB-CE2 3.86Å; E422-F447 HydrophobicContact CB-CZ 4.36Å; E422-F447 HydrophobicContact CG-CE2 4.37Å |
| 423 | V | 82.6 | Confident | 75.8 | Confident | 6 Ų | 6 | 36.1 Ų | 36.1 | 4% | 0.036 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.9 | -44.6 | 177.5 | 167.2 | 0 | 0 | 0 | 0 | 111.1 | H396 L397 L419 L420 S421 S426 | H396-V423 HydrophobicContact CB-CG1 4.29Å; L397-V423 HydrophobicContact CD1-CG2 4.38Å; L397-V423 HydrophobicContact CD2-CG2 4.44Å; L397-V423 HydrophobicContact CG-CG2 4.2Å; L419-V423 WeakPolarHBondContact O-CG2 3.12Å; L419-V423 PolarHBondContact O-N 3.4Å; L420-V423 WeakPolarHBondContact O-CB 3.17Å; L420-V423 PolarHBondContact O-N 2.71Å; S421-V423 VanDerWaalsContact C-N 3.31Å; S421-V423 PolarHBondContact O-N 3.38Å; V423-S426 PolarHBondContact O-N 3.49Å; V423-S426 PolarHBondContact O-OG 3.04Å |
| 424 | F | 84.9 | Confident | 74.2 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.1 | -44 | 178.1 | -67.7 | -0.2 | 0 | 0 | 0 | 111.9 | Y140 L420 S421 E422 S426 R427 L489 F491 I510 L514 | Y140-F424 VanDerWaalsContact CB-CE1 3.48Å; Y140-F424 AromaticContact CD1-CE1 3.3Å; Y140-F424 HydrophobicContact CD1-CE1 3.3Å; Y140-F424 HydrophobicContact CD1-CE2 4.46Å; Y140-F424 AromaticContact CD1-CZ 3.17Å; Y140-F424 HydrophobicContact CD1-CZ 3.17Å; Y140-F424 HydrophobicContact CD2-CE1 4.2Å; Y140-F424 AromaticContact CE1-CE1 3.92Å; Y140-F424 HydrophobicContact CE1-CE1 3.92Å; Y140-F424 AromaticContact CE1-CZ 3.62Å; Y140-F424 HydrophobicContact CE1-CZ 3.62Å; Y140-F424 AromaticContact CG-CE1 3.41Å; Y140-F424 HydrophobicContact CG-CE1 3.41Å; Y140-F424 VanDerWaalsContact CG-CE1 3.41Å; Y140-F424 AromaticContact CG-CZ 3.82Å; Y140-F424 HydrophobicContact CG-CZ 3.82Å; L420-F424 HydrophobicContact CD1-CD1 4.27Å; L420-F424 HydrophobicContact CD1-CE1 3.45Å; L420-F424 VanDerWaalsContact CD1-CE1 3.45Å; L420-F424 HydrophobicContact CD1-CE2 4.39Å; L420-F424 HydrophobicContact CD1-CZ 3.53Å; L420-F424 HydrophobicContact CD2-CZ 4.32Å; L420-F424 HydrophobicContact CG-CE1 4.19Å; L420-F424 HydrophobicContact CG-CE2 4.32Å; L420-F424 HydrophobicContact CG-CZ 3.9Å; L420-F424 PolarHBondContact O-N 2.75Å; L420-F424 VanDerWaalsContact O-N 3.12Å; S421-F424 PolarHBondContact O-N 3.23Å; E422-F424 PolarHBondContact O-N 2.96Å; F424-S426 VanDerWaalsContact C-N 3.31Å; F424-S426 PolarHBondContact O-N 2.55Å; F424-R427 WeakPolarHBondContact O-CB 2.97Å; F424-R427 PolarHBondContact O-N 2.62Å; F424-L489 WeakPolarHBondContact O-CD2 3.28Å; F424-F491 HydrophobicContact CB-CD2 4.35Å; F424-F491 HydrophobicContact CB-CE2 3.66Å; F424-F491 HydrophobicContact CB-CZ 3.76Å; F424-F491 AromaticContact CD2-CD1 3.49Å; F424-F491 HydrophobicContact CD2-CD1 3.49Å; F424-F491 VanDerWaalsContact CD2-CD1 3.49Å; F424-F491 AromaticContact CD2-CD2 3.71Å; F424-F491 HydrophobicContact CD2-CD2 3.71Å; F424-F491 AromaticContact CD2-CE1 3.42Å; F424-F491 HydrophobicContact CD2-CE1 3.42Å; F424-F491 VanDerWaalsContact CD2-CE1 3.42Å; F424-F491 AromaticContact CD2-CE2 3.63Å; F424-F491 HydrophobicContact CD2-CE2 3.63Å; F424-F491 AromaticContact CD2-CG 3.64Å; F424-F491 HydrophobicContact CD2-CG 3.64Å; F424-F491 AromaticContact CD2-CZ 3.49Å; F424-F491 HydrophobicContact CD2-CZ 3.49Å; F424-F491 VanDerWaalsContact CD2-CZ 3.49Å; F424-F491 AromaticContact CE2-CD1 3.76Å; F424-F491 HydrophobicContact CE2-CD1 3.76Å; F424-F491 AromaticContact CE2-CE1 3.98Å; F424-F491 HydrophobicContact CE2-CE1 3.98Å; F424-F491 HydrophobicContact CE2-CG 4.06Å; F424-F491 HydrophobicContact CE2-CZ 4.47Å; F424-F491 HydrophobicContact CG-CE1 4.41Å; F424-F491 HydrophobicContact CG-CE2 4.18Å; F424-F491 HydrophobicContact CG-CZ 4.11Å; F424-I510 HydrophobicContact CE2-CD1 3.93Å; F424-I510 HydrophobicContact CZ-CD1 3.67Å; F424-L514 HydrophobicContact CE2-CD2 4.32Å |
| 425 | L | 85.1 | Confident | 72.2 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.016 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.6 | -29.8 | 179.5 | -66.1 | -177.9 | 0 | 0 | 0 | 112.6 | S421 E422 R427 L428 T446 F447 P453 L454 F491 | S421-L425 WeakPolarHBondContact O-CB 3.46Å; S421-L425 VanDerWaalsContact O-CG 3.28Å; S421-L425 WeakPolarHBondContact O-CG 3.34Å; S421-L425 PolarHBondContact O-N 3.37Å; E422-L425 PolarHBondContact O-N 3.5Å; L425-R427 PolarHBondContact O-N 2.69Å; L425-R427 VanDerWaalsContact O-N 3.13Å; L425-L428 HydrophobicContact CD2-CD1 4.15Å; L425-L428 VanDerWaalsContact O-CB 3.29Å; L425-L428 WeakPolarHBondContact O-CB 3.27Å; L425-L428 PolarHBondContact O-N 3.4Å; L425-T446 HydrophobicContact CB-CG2 3.78Å; L425-F447 HydrophobicContact CD1-CD1 3.91Å; L425-F447 HydrophobicContact CD1-CE1 4.21Å; L425-F447 HydrophobicContact CD1-CG 4.26Å; L425-P453 HydrophobicContact CD2-CG 4.49Å; L425-L454 HydrophobicContact CD1-CD2 4.18Å; L425-F491 HydrophobicContact CD2-CE2 4.4Å |
| 426 | S | 79.9 | Confident | 70.3 | Confident | 17 Ų | 17 | 54.9 Ų | 54.9 | 12% | 0.119 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.8 | -21.4 | 176.7 | 73.9 | 0 | 0 | 0 | 0 | 113.1 | H396 E422 V423 F424 L428 A429 | H396-S426 PolarHBondContact NE2-OG 3.36Å; E422-S426 VanDerWaalsContact O-CB 3.31Å; E422-S426 WeakPolarHBondContact O-CB 3.48Å; E422-S426 PolarHBondContact O-N 3.49Å; V423-S426 PolarHBondContact O-N 3.49Å; V423-S426 PolarHBondContact O-OG 3.04Å; F424-S426 VanDerWaalsContact C-N 3.31Å; F424-S426 PolarHBondContact O-N 2.55Å; S426-L428 PolarHBondContact O-N 3.24Å; S426-A429 VanDerWaalsContact O-CB 3.28Å; S426-A429 WeakPolarHBondContact O-CB 3.34Å; S426-A429 PolarHBondContact O-N 3.43Å |
| 427 | R | 77.6 | Confident | 68.4 | Low | 84 Ų | 84 | 64.3 Ų | 64.3 | 32% | 0.317 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -18.2 | 175.8 | -60.6 | 174 | 179.3 | 176.6 | -7.4 | 113.4 | Y140 F424 L425 L489 | Y140-R427 PolarHBondContact O-NH1 3.18Å; Y140-R427 PolarHBondContact O-NH2 2.85Å; F424-R427 WeakPolarHBondContact O-CB 2.97Å; F424-R427 PolarHBondContact O-N 2.62Å; L425-R427 PolarHBondContact O-N 2.69Å; L425-R427 VanDerWaalsContact O-N 3.13Å; R427-L489 HydrophobicContact CB-CD2 4.46Å; R427-L489 PolarHBondContact NH1-O 3.01Å |
| 428 | L | 73.3 | Confident | 66.9 | Low | 72 Ų | 72 | 69.4 Ų | 69.4 | 38% | 0.377 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -20.8 | 170.2 | -63.8 | 168.6 | 0 | 0 | 0 | 111.9 | L425 S426 T430 P453 L489 | L425-L428 HydrophobicContact CD2-CD1 4.15Å; L425-L428 VanDerWaalsContact O-CB 3.29Å; L425-L428 WeakPolarHBondContact O-CB 3.27Å; L425-L428 PolarHBondContact O-N 3.4Å; S426-L428 PolarHBondContact O-N 3.24Å; L428-T430 PolarHBondContact O-N 3.26Å; L428-P453 HydrophobicContact CD1-CG 4.09Å; L428-L489 HydrophobicContact CD1-CD1 4.38Å; L428-L489 HydrophobicContact CD1-CD2 4.25Å; L428-L489 HydrophobicContact CD2-CD1 4.4Å; L428-L489 HydrophobicContact CD2-CD2 3.68Å; L428-L489 HydrophobicContact CD2-CG 4.47Å; L428-L489 HydrophobicContact CG-CD2 3.62Å |
| 429 | A | 63.8 | Low | 65.2 | Low | 73 Ų | 73 | 73.2 Ų | 73.2 | 60% | 0.603 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -75.2 | 125.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | S426 | S426-A429 VanDerWaalsContact O-CB 3.28Å; S426-A429 WeakPolarHBondContact O-CB 3.34Å; S426-A429 PolarHBondContact O-N 3.43Å |
| 430 | T | 53.9 | Low | 64 | Low | 131 Ų | 131 | 78.8 Ų | 78.8 | 80% | 0.804 | 46% | 0.458 | S | S | * | . | trans | -59.5 | 136.6 | 175 | 24.2 | 0 | 0 | 0 | 0 | 110.6 | L428 A432 | L428-T430 PolarHBondContact O-N 3.26Å; T430-A432 PolarHBondContact O-N 2.94Å | ||
| 431 | P | 48.8 | Very low | 63.2 | Low | 126 Ų | 126 | 82.8 Ų | 82.8 | 82% | 0.818 | 47% | 0.473 | S | S | * | . | trans | -62.1 | 114.1 | 178.5 | 22.6 | -30.5 | 0 | 0 | 0 | 109.5 | S433 | P431-S433 PolarHBondContact O-N 3.31Š| ||
| 432 | A | 43.3 | Very low | 62.6 | Low | 79 Ų | 79 | 86.3 Ų | 86.3 | 65% | 0.653 | 50% | 0.497 | S | S | * | . | trans | -60.1 | 136.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | T430 | T430-A432 PolarHBondContact O-N 2.94Š| ||
| 433 | S | 43.6 | Very low | 62.1 | Low | 79 Ų | 79 | 88.4 Ų | 88.4 | 55% | 0.552 | 51% | 0.51 | S | S | * | . | trans | -52.7 | 142.5 | 179.6 | -43.8 | 0 | 0 | 0 | 0 | 111.3 | P431 L435 L436 | P431-S433 PolarHBondContact O-N 3.31Å; S433-L435 PolarHBondContact O-N 3.47Å; S433-L436 PolarHBondContact O-N 3.17Å | ||
| 434 | P | 49.6 | Very low | 61.8 | Low | 133 Ų | 133 | 88.9 Ų | 88.9 | 86% | 0.864 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -0.3 | -171.3 | 22.8 | -32.9 | 0 | 0 | 0 | 115.8 | ||
| 435 | L | 44.1 | Very low | 61.6 | Low | 171 Ų | 171 | 93.2 Ų | 93.2 | 90% | 0.895 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | -6.8 | -174.7 | -68.7 | 169.7 | 0 | 0 | 0 | 114.6 | S433 | S433-L435 PolarHBondContact O-N 3.47Š|
| 436 | L | 45.5 | Very low | 61.5 | Low | 133 Ų | 133 | 94.8 Ų | 94.8 | 70% | 0.696 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -104.3 | 125.1 | 175.6 | -87 | 152.5 | 0 | 0 | 0 | 109.3 | S433 K438 | S433-L436 PolarHBondContact O-N 3.17Å; L436-K438 PolarHBondContact O-N 3.11Å; L436-K438 VanDerWaalsContact O-N 3.17Å |
| 437 | K | 42.7 | Very low | 61.8 | Low | 202 Ų | 202 | 94.1 Ų | 94.1 | 88% | 0.878 | 54% | 0.539 | S | S | * | . | trans | -43.6 | 122.8 | 175 | -72.9 | -176.8 | 173.6 | -178.2 | 0 | 110 | S439 | K437-S439 PolarHBondContact O-N 3.43Š| ||
| 438 | K | 55.4 | Low | 62.1 | Low | 109 Ų | 109 | 97.7 Ų | 97.7 | 47% | 0.474 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -61.7 | 127.9 | -175.4 | -73.5 | 167.6 | 173.6 | -178 | 0 | 109.5 | T399 I400 L436 | T399-K438 PolarHBondContact O-NZ 3.4Å; I400-K438 WeakPolarHBondContact O-CB 3.09Å; I400-K438 WeakPolarHBondContact O-CD 3.42Å; L436-K438 PolarHBondContact O-N 3.11Å; L436-K438 VanDerWaalsContact O-N 3.17Å |
| 439 | S | 53.3 | Low | 62.7 | Low | 91 Ų | 91 | 98.7 Ų | 98.7 | 64% | 0.636 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 157.7 | -173 | 67.6 | 0 | 0 | 0 | 0 | 114 | H401 K437 | H401-S439 PolarHBondContact ND1-O 2.99Å; K437-S439 PolarHBondContact O-N 3.43Å |
| 440 | T | 57.8 | Low | 63.7 | Low | 135 Ų | 135 | 95.3 Ų | 95.3 | 83% | 0.828 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 127.9 | 172.7 | -10.9 | 0 | 0 | 0 | 0 | 110 | C442 | T440-C442 PolarHBondContact O-N 2.84Š|
| 441 | R | 69.6 | Low | 65.3 | Low | 87 Ų | 87 | 91.4 Ų | 91.4 | 33% | 0.328 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -53.7 | 123.7 | -178.9 | -179.9 | -179.1 | 171.9 | -152.1 | 5.2 | 112.1 | E422 | E422-R441 IonicContact OE1-CZ 3.39Å; E422-R441 IonicContact OE1-NE 2.85Å; E422-R441 PolarHBondContact OE1-NE 2.93Å; E422-R441 IonicContact OE1-NH2 3.55Å; E422-R441 PolarHBondContact OE1-NH2 3.06Å; E422-R441 IonicContact OE2-CZ 2.7Å; E422-R441 IonicContact OE2-NE 2.68Å; E422-R441 IonicContact OE2-NH2 3.92Å; E422-R441 PolarHBondContact OE2-NH2 3.3Å |
| 442 | C | 73.4 | Confident | 67.3 | Low | 74 Ų | 74 | 93.4 Ų | 93.4 | 50% | 0.5 | 50% | 0.498 | S | S | . | . | trans | -124.2 | 95.6 | 170.9 | -169.1 | 0 | 0 | 0 | 0 | 110.8 | T440 S444 E445 T446 | T440-C442 PolarHBondContact O-N 2.84Å; C442-S444 VanDerWaalsContact C-N 3.3Å; C442-S444 PolarHBondContact O-N 3.43Å; C442-E445 HydrophobicContact CB-CB 4.36Å; C442-E445 PolarHBondContact O-N 3.09Å; C442-T446 PolarHBondContact O-N 3.04Å; C442-T446 PolarHBondContact O-OG1 3.41Å | ||
| 443 | T | 75.6 | Confident | 69.6 | Low | 51 Ų | 51 | 90 Ų | 90 | 31% | 0.313 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -53.9 | -45 | 179.7 | 41.4 | 0 | 0 | 0 | 0 | 112.5 | E422 E445 T446 F447 | E422-T443 WeakPolarHBondContact OE1-CG2 3.43Å; E422-T443 WeakPolarHBondContact OE2-CG2 3.33Å; T443-E445 VanDerWaalsContact C-N 3.34Å; T443-E445 PolarHBondContact O-N 3.23Å; T443-T446 PolarHBondContact O-N 2.89Å; T443-F447 WeakPolarHBondContact O-CD2 3.32Å; T443-F447 PolarHBondContact O-N 2.92Å |
| 444 | S | 77.4 | Confident | 71.8 | Confident | 16 Ų | 16 | 86.2 Ų | 86.2 | 11% | 0.112 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -66.4 | -34 | -173.1 | -45.4 | 0 | 0 | 0 | 0 | 113.5 | C442 R448 | C442-S444 VanDerWaalsContact C-N 3.3Å; C442-S444 PolarHBondContact O-N 3.43Å; S444-R448 WeakPolarHBondContact O-CB 3.34Å; S444-R448 PolarHBondContact O-N 3.15Å |
| 445 | E | 80.2 | Confident | 73.7 | Confident | 92 Ų | 92 | 81.5 Ų | 81.5 | 43% | 0.43 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -70.5 | -41.4 | 177.2 | -169.4 | 59 | -156.3 | 0 | 0 | 111.4 | C442 T443 F447 R448 V449 | C442-E445 HydrophobicContact CB-CB 4.36Å; C442-E445 PolarHBondContact O-N 3.09Å; T443-E445 VanDerWaalsContact C-N 3.34Å; T443-E445 PolarHBondContact O-N 3.23Å; E445-F447 VanDerWaalsContact C-N 3.33Å; E445-F447 PolarHBondContact O-N 2.81Å; E445-R448 WeakPolarHBondContact O-CB 3.19Å; E445-R448 PolarHBondContact O-N 2.92Å; E445-R448 VanDerWaalsContact O-N 3.1Å; E445-V449 HydrophobicContact CG-CG2 4.48Å; E445-V449 WeakPolarHBondContact O-CG2 3.36Å; E445-V449 PolarHBondContact O-N 3.47Å |
| 446 | T | 83.7 | Confident | 76 | Confident | 36 Ų | 36 | 73.7 Ų | 73.7 | 22% | 0.221 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -57.2 | -45.8 | 175.9 | -52.4 | 0 | 0 | 0 | 0 | 111.8 | E422 L425 C442 T443 R448 G450 | E422-T446 HydrophobicContact CG-CG2 4.36Å; L425-T446 HydrophobicContact CB-CG2 3.78Å; C442-T446 PolarHBondContact O-N 3.04Å; C442-T446 PolarHBondContact O-OG1 3.41Å; T443-T446 PolarHBondContact O-N 2.89Å; T446-R448 VanDerWaalsContact C-N 3.35Å; T446-G450 PolarHBondContact O-N 2.91Å |
| 447 | F | 85.8 | Confident | 78.3 | Confident | 3 Ų | 3 | 67.4 Ų | 67.4 | 1% | 0.013 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -69.1 | -31.9 | 177 | -85.1 | -90.2 | 0 | 0 | 0 | 113 | L418 E422 L425 T443 E445 G450 L451 L454 L592 L596 | L418-F447 HydrophobicContact CD2-CE1 4.17Å; L418-F447 HydrophobicContact CD2-CZ 3.93Å; L418-F447 WeakPolarHBondContact O-CZ 3.46Å; E422-F447 HydrophobicContact CB-CE2 3.86Å; E422-F447 HydrophobicContact CB-CZ 4.36Å; E422-F447 HydrophobicContact CG-CE2 4.37Å; L425-F447 HydrophobicContact CD1-CD1 3.91Å; L425-F447 HydrophobicContact CD1-CE1 4.21Å; L425-F447 HydrophobicContact CD1-CG 4.26Å; T443-F447 WeakPolarHBondContact O-CD2 3.32Å; T443-F447 PolarHBondContact O-N 2.92Å; E445-F447 VanDerWaalsContact C-N 3.33Å; E445-F447 PolarHBondContact O-N 2.81Å; F447-G450 CarbonylContact O-C 3.57Å; F447-L451 WeakPolarHBondContact O-CA 3.31Å; F447-L451 WeakPolarHBondContact O-CB 3.39Å; F447-L451 PolarHBondContact O-N 2.93Å; F447-L454 HydrophobicContact CD1-CD2 3.71Å; F447-L454 HydrophobicContact CE1-CD2 3.86Å; F447-L592 HydrophobicContact CB-CD1 3.98Å; F447-L592 HydrophobicContact CD2-CD1 3.98Å; F447-L592 HydrophobicContact CD2-CD2 4.39Å; F447-L592 HydrophobicContact CE2-CD2 4.41Å; F447-L592 HydrophobicContact CG-CD1 4.06Å; F447-L596 HydrophobicContact CB-CD1 4.44Å; F447-L596 HydrophobicContact CB-CD2 4.49Å |
| 448 | R | 84.4 | Confident | 80.6 | Confident | 158 Ų | 158 | 57.8 Ų | 57.8 | 60% | 0.596 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -68.6 | -46.2 | 177.1 | -176.1 | -176.8 | 172.9 | 175.9 | -2 | 111.5 | S444 E445 T446 L451 | S444-R448 WeakPolarHBondContact O-CB 3.34Å; S444-R448 PolarHBondContact O-N 3.15Å; E445-R448 WeakPolarHBondContact O-CB 3.19Å; E445-R448 PolarHBondContact O-N 2.92Å; E445-R448 VanDerWaalsContact O-N 3.1Å; T446-R448 VanDerWaalsContact C-N 3.35Å; R448-L451 WeakPolarHBondContact O-CB 3.48Å; R448-L451 PolarHBondContact O-N 3.48Å |
| 449 | V | 84.9 | Confident | 82.4 | Confident | 94 Ų | 94 | 57.1 Ų | 57.1 | 57% | 0.57 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -64.7 | -43.3 | 176.3 | 174.9 | 0 | 0 | 0 | 0 | 110.5 | E445 L451 | E445-V449 HydrophobicContact CG-CG2 4.48Å; E445-V449 WeakPolarHBondContact O-CG2 3.36Å; E445-V449 PolarHBondContact O-N 3.47Å; V449-L451 VanDerWaalsContact C-N 3.29Å; V449-L451 PolarHBondContact O-N 2.74Å |
| 450 | G | 84.9 | Confident | 84.2 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 6.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | T446 F447 R452 P453 L454 | T446-G450 PolarHBondContact O-N 2.91Å; F447-G450 CarbonylContact O-C 3.57Å; G450-R452 PolarHBondContact O-N 3.33Å; G450-P453 VanDerWaalsContact O-CD 3.28Å; G450-P453 WeakPolarHBondContact O-CD 3.43Å; G450-P453 VanDerWaalsContact O-CG 3.31Å; G450-P453 WeakPolarHBondContact O-CG 3.43Å; G450-L454 VanDerWaalsContact O-CB 3.24Å; G450-L454 WeakPolarHBondContact O-CB 3.15Å; G450-L454 PolarHBondContact O-N 3.33Å; G450-L454 VanDerWaalsContact O-N 3.08Å |
| 451 | L | 87.8 | Confident | 85.8 | Confident | 49 Ų | 49 | 46.5 Ų | 46.5 | 26% | 0.257 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.4 | -39.6 | -171.4 | -179.8 | 58.1 | 0 | 0 | 0 | 112.4 | F447 R448 V449 L454 A455 L525 L596 | F447-L451 WeakPolarHBondContact O-CA 3.31Å; F447-L451 WeakPolarHBondContact O-CB 3.39Å; F447-L451 PolarHBondContact O-N 2.93Å; R448-L451 WeakPolarHBondContact O-CB 3.48Å; R448-L451 PolarHBondContact O-N 3.48Å; V449-L451 VanDerWaalsContact C-N 3.29Å; V449-L451 PolarHBondContact O-N 2.74Å; L451-L454 PolarHBondContact O-N 2.92Å; L451-A455 WeakPolarHBondContact O-CB 3.33Å; L451-A455 PolarHBondContact O-N 3.4Å; L451-L525 HydrophobicContact CD1-CD1 4.34Å; L451-L525 HydrophobicContact CD1-CD2 4.25Å; L451-L596 HydrophobicContact CD1-CD2 4.14Å; L451-L596 HydrophobicContact CD2-CD2 4.15Å |
| 452 | R | 90.9 | Very high | 86.8 | Confident | 168 Ų | 168 | 43.6 Ų | 43.6 | 63% | 0.634 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -59 | -59.3 | 179.6 | 178.6 | -161.3 | 159.1 | 168.7 | -3.1 | 111.6 | G450 L454 A455 G456 G481 | G450-R452 PolarHBondContact O-N 3.33Å; R452-L454 VanDerWaalsContact C-N 3.32Å; R452-L454 PolarHBondContact O-N 3.22Å; R452-A455 PolarHBondContact O-N 2.79Å; R452-G456 PolarHBondContact O-N 2.77Å; R452-G456 VanDerWaalsContact O-N 3.14Å; R452-G481 PolarHBondContact NH2-O 3.42Å; R452-G481 VanDerWaalsContact NH2-O 3.15Å |
| 453 | P | 90.4 | Very high | 87.5 | Confident | 7 Ų | 7 | 42.4 Ų | 42.4 | 5% | 0.045 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.9 | -40.8 | 178.9 | 18.9 | -29.1 | 0 | 0 | 0 | 111.9 | L425 L428 G450 A455 G456 F457 L482 D486 L489 | L425-P453 HydrophobicContact CD2-CG 4.49Å; L428-P453 HydrophobicContact CD1-CG 4.09Å; G450-P453 VanDerWaalsContact O-CD 3.28Å; G450-P453 WeakPolarHBondContact O-CD 3.43Å; G450-P453 VanDerWaalsContact O-CG 3.31Å; G450-P453 WeakPolarHBondContact O-CG 3.43Å; P453-A455 VanDerWaalsContact C-N 3.33Å; P453-A455 PolarHBondContact O-N 2.94Å; P453-G456 PolarHBondContact O-N 3.31Å; P453-G456 VanDerWaalsContact O-N 3.15Å; P453-F457 HydrophobicContact CB-CE2 4.35Å; P453-F457 WeakPolarHBondContact O-CD2 3.47Å; P453-F457 PolarHBondContact O-N 3Å; P453-L482 WeakPolarHBondContact O-CD2 3.48Å; P453-D486 HydrophobicContact CB-CB 4.18Å; P453-D486 WeakPolarHBondContact CB-OD1 3.47Å; P453-L489 HydrophobicContact CB-CD1 3.81Å; P453-L489 HydrophobicContact CG-CD1 4.07Å |
| 454 | L | 90.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.8 | -41.2 | 179.2 | -173 | 66.1 | 0 | 0 | 0 | 112.3 | L425 F447 G450 L451 R452 F457 A458 F491 L518 F521 | L425-L454 HydrophobicContact CD1-CD2 4.18Å; F447-L454 HydrophobicContact CD1-CD2 3.71Å; F447-L454 HydrophobicContact CE1-CD2 3.86Å; G450-L454 VanDerWaalsContact O-CB 3.24Å; G450-L454 WeakPolarHBondContact O-CB 3.15Å; G450-L454 PolarHBondContact O-N 3.33Å; G450-L454 VanDerWaalsContact O-N 3.08Å; L451-L454 PolarHBondContact O-N 2.92Å; R452-L454 VanDerWaalsContact C-N 3.32Å; R452-L454 PolarHBondContact O-N 3.22Å; L454-F457 PolarHBondContact O-N 3.4Å; L454-A458 WeakPolarHBondContact O-CB 3.45Å; L454-A458 PolarHBondContact O-N 3.25Å; L454-F491 HydrophobicContact CD1-CE1 4.3Å; L454-F491 HydrophobicContact CD1-CZ 3.93Å; L454-L518 HydrophobicContact CD1-CD2 3.67Å; L454-F521 HydrophobicContact CD2-CD1 4.13Å; L454-F521 HydrophobicContact CD2-CE1 3.43Å; L454-F521 VanDerWaalsContact CD2-CE1 3.43Å; L454-F521 HydrophobicContact CD2-CE2 4.24Å; L454-F521 HydrophobicContact CD2-CZ 3.5Å; L454-F521 HydrophobicContact CG-CD1 4.23Å; L454-F521 HydrophobicContact CG-CE1 3.91Å; L454-F521 HydrophobicContact CG-CZ 4.45Å |
| 455 | A | 90.3 | Very high | 88.2 | Confident | 35 Ų | 35 | 40.1 Ų | 40.1 | 29% | 0.289 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -66 | -37.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L451 R452 P453 A458 K459 L525 | L451-A455 WeakPolarHBondContact O-CB 3.33Å; L451-A455 PolarHBondContact O-N 3.4Å; R452-A455 PolarHBondContact O-N 2.79Å; P453-A455 VanDerWaalsContact C-N 3.33Å; P453-A455 PolarHBondContact O-N 2.94Å; A455-A458 PolarHBondContact O-N 2.97Å; A455-K459 WeakPolarHBondContact O-CB 3.5Å; A455-K459 PolarHBondContact O-N 2.84Å; A455-L525 HydrophobicContact CB-CD1 3.83Å |
| 456 | G | 91.1 | Very high | 88.3 | Confident | 7 Ų | 7 | 40.5 Ų | 40.5 | 7% | 0.072 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.2 | -50.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R452 P453 A458 K459 L460 | R452-G456 PolarHBondContact O-N 2.77Å; R452-G456 VanDerWaalsContact O-N 3.14Å; P453-G456 PolarHBondContact O-N 3.31Å; P453-G456 VanDerWaalsContact O-N 3.15Å; G456-A458 VanDerWaalsContact C-N 3.32Å; G456-A458 PolarHBondContact O-N 2.81Å; G456-K459 PolarHBondContact O-N 3.14Å; G456-L460 PolarHBondContact O-N 3.49Å |
| 457 | F | 93.3 | Very high | 88 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63 | -38 | 176.1 | -71.9 | -61.1 | 0 | 0 | 0 | 112.6 | P453 L454 L460 A461 L482 D486 L489 F491 L492 L518 | P453-F457 HydrophobicContact CB-CE2 4.35Å; P453-F457 WeakPolarHBondContact O-CD2 3.47Å; P453-F457 PolarHBondContact O-N 3Å; L454-F457 PolarHBondContact O-N 3.4Å; F457-L460 PolarHBondContact O-N 2.9Å; F457-A461 WeakPolarHBondContact O-CB 3.31Å; F457-A461 PolarHBondContact O-N 3.31Å; F457-L482 HydrophobicContact CD1-CD1 3.59Å; F457-L482 HydrophobicContact CD1-CD2 4.26Å; F457-L482 HydrophobicContact CD2-CD2 3.94Å; F457-L482 HydrophobicContact CE1-CD1 3.65Å; F457-L482 HydrophobicContact CE1-CD2 4.19Å; F457-L482 HydrophobicContact CE2-CD2 3.86Å; F457-L482 HydrophobicContact CG-CD1 4.14Å; F457-L482 HydrophobicContact CG-CD2 4.12Å; F457-L482 HydrophobicContact CZ-CD1 4.25Å; F457-L482 HydrophobicContact CZ-CD2 3.99Å; F457-D486 HydrophobicContact CE2-CB 4.36Å; F457-D486 HydrophobicContact CZ-CB 4.36Å; F457-D486 WeakPolarHBondContact CZ-O 3.31Å; F457-L489 HydrophobicContact CE2-CD1 4.25Å; F457-F491 HydrophobicContact CD1-CB 4.01Å; F457-F491 HydrophobicContact CD2-CB 4.21Å; F457-F491 AromaticContact CD2-CD2 3.6Å; F457-F491 HydrophobicContact CD2-CD2 3.6Å; F457-F491 HydrophobicContact CD2-CE2 4.21Å; F457-F491 HydrophobicContact CD2-CG 4.04Å; F457-F491 HydrophobicContact CE1-CB 4.08Å; F457-F491 HydrophobicContact CE2-CB 4.28Å; F457-F491 AromaticContact CE2-CD2 3.64Å; F457-F491 HydrophobicContact CE2-CD2 3.64Å; F457-F491 HydrophobicContact CE2-CE2 4.41Å; F457-F491 HydrophobicContact CE2-CG 4.3Å; F457-F491 HydrophobicContact CG-CB 4.09Å; F457-F491 HydrophobicContact CG-CD2 4.26Å; F457-F491 HydrophobicContact CG-CG 4.25Å; F457-F491 HydrophobicContact CZ-CB 4.22Å; F457-F491 HydrophobicContact CZ-CD2 4.32Å; F457-L492 HydrophobicContact CD1-CD1 4.18Å; F457-L492 HydrophobicContact CD1-CG 4.13Å; F457-L492 HydrophobicContact CE1-CD1 3.7Å; F457-L492 HydrophobicContact CE1-CG 3.77Å; F457-L518 HydrophobicContact CB-CD1 4.16Å |
| 458 | A | 92.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.4 | -45.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | L454 A455 G456 A461 L462 L518 F521 A522 | L454-A458 WeakPolarHBondContact O-CB 3.45Å; L454-A458 PolarHBondContact O-N 3.25Å; A455-A458 PolarHBondContact O-N 2.97Å; G456-A458 VanDerWaalsContact C-N 3.32Å; G456-A458 PolarHBondContact O-N 2.81Å; A458-A461 PolarHBondContact O-N 3.23Å; A458-L462 PolarHBondContact O-N 2.81Å; A458-L518 WeakPolarHBondContact CA-O 3.44Å; A458-L518 VanDerWaalsContact CB-O 3.29Å; A458-L518 WeakPolarHBondContact CB-O 3.46Å; A458-F521 HydrophobicContact CB-CB 4.4Å; A458-F521 HydrophobicContact CB-CD1 4.3Å; A458-A522 HydrophobicContact CB-CB 3.85Å; A458-A522 WeakPolarHBondContact O-CB 3.48Å |
| 459 | K | 91.9 | Very high | 86.9 | Confident | 95 Ų | 95 | 41.2 Ų | 41.2 | 41% | 0.413 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.4 | -46.6 | 176.2 | -174.8 | -174.3 | 174.3 | -163.6 | 0 | 111.3 | A455 G456 A461 L462 Q463 E479 | A455-K459 WeakPolarHBondContact O-CB 3.5Å; A455-K459 PolarHBondContact O-N 2.84Å; G456-K459 PolarHBondContact O-N 3.14Å; K459-A461 VanDerWaalsContact C-N 3.34Å; K459-A461 PolarHBondContact O-N 2.9Å; K459-L462 PolarHBondContact O-N 2.87Å; K459-Q463 WeakPolarHBondContact O-CG 3.37Å; K459-Q463 PolarHBondContact O-N 3.4Å; K459-E479 PolarHBondContact NZ-O 2.85Å |
| 460 | L | 92.2 | Very high | 86.6 | Confident | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.4 | -46.3 | 177 | -176.5 | 65.7 | 0 | 0 | 0 | 111.3 | G456 F457 L462 Q463 G464 C472 E476 I477 C480 L482 L492 F509 | G456-L460 PolarHBondContact O-N 3.49Å; F457-L460 PolarHBondContact O-N 2.9Å; L460-L462 PolarHBondContact O-N 3.31Å; L460-Q463 PolarHBondContact O-N 2.82Å; L460-G464 PolarHBondContact O-N 2.91Å; L460-C472 HydrophobicContact CD1-CB 4.19Å; L460-C472 HydrophobicContact CD2-CB 4.17Å; L460-C472 HydrophobicContact CG-CB 4.47Å; L460-E476 HydrophobicContact CD1-CB 4.11Å; L460-I477 HydrophobicContact CD2-CG1 3.93Å; L460-C480 HydrophobicContact CB-CB 4.37Å; L460-L482 HydrophobicContact CD2-CD1 4.36Å; L460-L492 HydrophobicContact CD2-CD1 3.97Å; L460-L492 HydrophobicContact CD2-CD2 4.42Å; L460-F509 HydrophobicContact CB-CZ 4.46Å; L460-F509 HydrophobicContact CD2-CZ 4.19Å; L460-F509 HydrophobicContact CG-CZ 4.3Å |
| 461 | A | 91.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.7 | -44.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F457 A458 K459 G464 L465 F509 Q515 L518 A519 | F457-A461 WeakPolarHBondContact O-CB 3.31Å; F457-A461 PolarHBondContact O-N 3.31Å; A458-A461 PolarHBondContact O-N 3.23Å; K459-A461 VanDerWaalsContact C-N 3.34Å; K459-A461 PolarHBondContact O-N 2.9Å; A461-G464 PolarHBondContact O-N 3.17Å; A461-L465 WeakPolarHBondContact O-CG 3.4Å; A461-L465 PolarHBondContact O-N 2.81Å; A461-L465 VanDerWaalsContact O-N 3.1Å; A461-F509 HydrophobicContact CB-CE1 4.37Å; A461-F509 HydrophobicContact CB-CE2 4.03Å; A461-F509 HydrophobicContact CB-CZ 3.7Å; A461-Q515 HydrophobicContact CB-CG 3.82Å; A461-Q515 WeakPolarHBondContact CB-O 3.1Å; A461-L518 HydrophobicContact CB-CB 3.61Å; A461-A519 HydrophobicContact CB-CB 4.31Å |
| 462 | L | 90 | Very high | 86 | Confident | 25 Ų | 25 | 37.6 Ų | 37.6 | 13% | 0.131 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64 | -45.6 | 178.2 | -178.6 | 62.1 | 0 | 0 | 0 | 111.7 | A458 K459 L460 G464 L465 E466 A519 A522 L523 F537 | A458-L462 PolarHBondContact O-N 2.81Å; K459-L462 PolarHBondContact O-N 2.87Å; L460-L462 PolarHBondContact O-N 3.31Å; L462-G464 VanDerWaalsContact C-N 3.35Å; L462-G464 PolarHBondContact O-N 3.49Å; L462-L465 PolarHBondContact O-N 3.19Å; L462-E466 HydrophobicContact CD1-CG 4.45Å; L462-E466 WeakPolarHBondContact O-CG 3.42Å; L462-E466 PolarHBondContact O-N 3.48Å; L462-A519 HydrophobicContact CB-CB 4.25Å; L462-A519 HydrophobicContact CD1-CB 4.29Å; L462-A522 HydrophobicContact CB-CB 3.96Å; L462-A522 HydrophobicContact CD2-CB 3.9Å; L462-L523 HydrophobicContact CD1-CD2 4.11Å; L462-L523 HydrophobicContact CD1-CG 4.21Å; L462-L523 HydrophobicContact CD2-CD2 4.11Å; L462-F537 HydrophobicContact CD1-CE2 3.87Å; L462-F537 HydrophobicContact CD1-CZ 3.98Å |
| 463 | Q | 88.6 | Confident | 85.6 | Confident | 49 Ų | 49 | 31.1 Ų | 31.1 | 23% | 0.229 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62 | -41.6 | 177.5 | -72.2 | -179.8 | -13.9 | 0 | 0 | 112 | K459 L460 E466 R467 | K459-Q463 WeakPolarHBondContact O-CG 3.37Å; K459-Q463 PolarHBondContact O-N 3.4Å; L460-Q463 PolarHBondContact O-N 2.82Å; Q463-E466 PolarHBondContact O-N 2.94Å; Q463-R467 VanDerWaalsContact O-CG 3.3Å; Q463-R467 WeakPolarHBondContact O-CG 3.38Å; Q463-R467 PolarHBondContact O-N 3.24Å |
| 464 | G | 84.1 | Confident | 85.3 | Confident | 8 Ų | 8 | 34 Ų | 34 | 8% | 0.082 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.4 | -48.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L460 A461 L462 E466 R467 G468 S469 | L460-G464 PolarHBondContact O-N 2.91Å; A461-G464 PolarHBondContact O-N 3.17Å; L462-G464 VanDerWaalsContact C-N 3.35Å; L462-G464 PolarHBondContact O-N 3.49Å; G464-E466 PolarHBondContact O-N 3.21Å; G464-R467 PolarHBondContact O-N 2.9Å; G464-G468 PolarHBondContact O-N 3.42Å; G464-S469 CarbonylContact C-O 3.54Å; G464-S469 VanDerWaalsContact CA-O 3.28Å; G464-S469 WeakPolarHBondContact CA-O 3.45Å; G464-S469 PolarHBondContact O-N 2.88Å |
| 465 | L | 82.4 | Confident | 84.9 | Confident | 11 Ų | 11 | 40.8 Ų | 40.8 | 6% | 0.058 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.7 | -37.5 | 177.6 | -69 | -172.8 | 0 | 0 | 0 | 113.2 | A461 L462 R467 G468 F470 Q515 A519 | A461-L465 WeakPolarHBondContact O-CG 3.4Å; A461-L465 PolarHBondContact O-N 2.81Å; A461-L465 VanDerWaalsContact O-N 3.1Å; L462-L465 PolarHBondContact O-N 3.19Å; L465-R467 VanDerWaalsContact C-N 3.32Å; L465-G468 PolarHBondContact O-N 2.99Å; L465-F470 HydrophobicContact CD2-CD1 4.49Å; L465-F470 HydrophobicContact CD2-CE1 3.98Å; L465-Q515 HydrophobicContact CD2-CG 4.41Å; L465-Q515 HydrophobicContact CG-CG 4.41Å; L465-A519 HydrophobicContact CD1-CB 3.45Å; L465-A519 VanDerWaalsContact CD1-CB 3.45Å; L465-A519 HydrophobicContact CG-CB 4.33Å |
| 466 | E | 82.6 | Confident | 84.7 | Confident | 101 Ų | 101 | 41.3 Ų | 41.3 | 47% | 0.472 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -69.3 | -30.4 | 178 | -71.9 | -168.3 | 135.4 | 0 | 0 | 113.3 | L462 Q463 G464 K536 F537 | L462-E466 HydrophobicContact CD1-CG 4.45Å; L462-E466 WeakPolarHBondContact O-CG 3.42Å; L462-E466 PolarHBondContact O-N 3.48Å; Q463-E466 PolarHBondContact O-N 2.94Å; G464-E466 PolarHBondContact O-N 3.21Å; E466-K536 IonicContact OE1-NZ 2.83Å; E466-K536 PolarHBondContact OE1-NZ 2.62Å; E466-F537 HydrophobicContact CG-CZ 4.35Å |
| 467 | R | 78.1 | Confident | 84.5 | Confident | 148 Ų | 148 | 41 Ų | 41 | 56% | 0.558 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -81.4 | -17.8 | 173.8 | -67.1 | 174.4 | -174.1 | -170 | 2.8 | 112.6 | Q463 G464 L465 S469 E476 | Q463-R467 VanDerWaalsContact O-CG 3.3Å; Q463-R467 WeakPolarHBondContact O-CG 3.38Å; Q463-R467 PolarHBondContact O-N 3.24Å; G464-R467 PolarHBondContact O-N 2.9Å; L465-R467 VanDerWaalsContact C-N 3.32Å; R467-S469 VanDerWaalsContact C-N 3.29Å; R467-E476 IonicContact CZ-OE1 3.56Å; R467-E476 IonicContact NH1-OE1 3.43Å; R467-E476 PolarHBondContact NH1-OE1 3.32Å |
| 468 | G | 72.9 | Confident | 84.2 | Confident | 32 Ų | 32 | 44.6 Ų | 44.6 | 33% | 0.33 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | 14.7 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q283 G464 L465 | Q283-G468 PolarHBondContact NE2-O 3.38Å; G464-G468 PolarHBondContact O-N 3.42Å; L465-G468 PolarHBondContact O-N 2.99Å |
| 469 | S | 74.8 | Confident | 84 | Confident | 32 Ų | 32 | 50.5 Ų | 50.5 | 22% | 0.224 | 26% | 0.256 | C | S | . | . | trans | -102.5 | 135.2 | 178.2 | -177.2 | 0 | 0 | 0 | 0 | 111.6 | G464 R467 L471 | G464-S469 CarbonylContact C-O 3.54Å; G464-S469 VanDerWaalsContact CA-O 3.28Å; G464-S469 WeakPolarHBondContact CA-O 3.45Å; G464-S469 PolarHBondContact O-N 2.88Å; R467-S469 VanDerWaalsContact C-N 3.29Å; S469-L471 PolarHBondContact OG-N 2.94Å; S469-L471 PolarHBondContact OG-O 2.93Å; S469-L471 VanDerWaalsContact OG-O 3.14Å | ||
| 470 | F | 77.3 | Confident | 83.8 | Confident | 32 Ų | 32 | 46.6 Ų | 46.6 | 14% | 0.14 | 24% | 0.241 | C | C | . | . | trans | -98.7 | -1.8 | 173.9 | -53.9 | -61.3 | 0 | 0 | 0 | 112.9 | L465 I512 | L465-F470 HydrophobicContact CD2-CD1 4.49Å; L465-F470 HydrophobicContact CD2-CE1 3.98Å; F470-I512 HydrophobicContact CD1-CD1 3.67Å; F470-I512 HydrophobicContact CD1-CG1 4.13Å; F470-I512 HydrophobicContact CD2-CD1 4.43Å; F470-I512 HydrophobicContact CE1-CD1 3.24Å; F470-I512 HydrophobicContact CE1-CG1 3.95Å; F470-I512 HydrophobicContact CE2-CD1 4.06Å; F470-I512 HydrophobicContact CG-CD1 4.26Å; F470-I512 HydrophobicContact CZ-CD1 3.46Å; F470-I512 VanDerWaalsContact CZ-CD1 3.46Å | ||
| 471 | L | 78.1 | Confident | 83.5 | Confident | 32 Ų | 32 | 48.3 Ų | 48.3 | 17% | 0.168 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 142.7 | -178.4 | -58.5 | 174.8 | 0 | 0 | 0 | 109.9 | I233 S469 I495 E508 | I233-L471 HydrophobicContact CD1-CD1 3.34Å; I233-L471 HydrophobicContact CG1-CD1 3.32Å; S469-L471 PolarHBondContact OG-N 2.94Å; S469-L471 PolarHBondContact OG-O 2.93Å; S469-L471 VanDerWaalsContact OG-O 3.14Å; L471-I495 HydrophobicContact CD2-CD1 3.17Å; L471-E508 HydrophobicContact CD2-CB 4.39Å |
| 472 | C | 81.7 | Confident | 83.4 | Confident | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.02 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 132.1 | -179.6 | -54.6 | 0 | 0 | 0 | 0 | 109.7 | L460 E476 I477 F507 | L460-C472 HydrophobicContact CD1-CB 4.19Å; L460-C472 HydrophobicContact CD2-CB 4.17Å; L460-C472 HydrophobicContact CG-CB 4.47Å; C472-E476 VanDerWaalsContact CA-OE2 3.31Å; C472-E476 WeakPolarHBondContact CA-OE2 3.48Å; C472-I477 HydrophobicContact CB-CG1 4.34Å; C472-F507 PolarHBondContact N-O 3.4Å; C472-F507 PolarHBondContact O-N 3.04Å |
| 473 | S | 83 | Confident | 83.2 | Confident | 33 Ų | 33 | 50.4 Ų | 50.4 | 23% | 0.231 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 160 | 170.8 | 75.9 | 0 | 0 | 0 | 0 | 111.5 | E475 E476 I477 | S473-E475 PolarHBondContact O-N 2.67Å; S473-E475 PolarHBondContact OG-N 3.49Å; S473-E476 PolarHBondContact N-OE2 2.86Å; S473-E476 PolarHBondContact O-N 3.41Å; S473-E476 WeakPolarHBondContact OG-CG 3.22Å; S473-E476 PolarHBondContact OG-N 2.95Å; S473-I477 WeakPolarHBondContact O-CG1 3.41Å; S473-I477 PolarHBondContact O-N 2.64Å; S473-I477 VanDerWaalsContact O-N 3.15Å |
| 474 | Q | 83.5 | Confident | 82.8 | Confident | 66 Ų | 66 | 55.4 Ų | 55.4 | 31% | 0.308 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57.2 | -34.2 | 173.4 | -171.6 | 64.2 | 21.3 | 0 | 0 | 112.4 | I477 S478 F507 | Q474-I477 PolarHBondContact O-N 2.82Å; Q474-S478 PolarHBondContact O-N 2.9Å; Q474-S478 VanDerWaalsContact O-N 3.15Å; Q474-F507 HydrophobicContact CB-CE2 4.5Å |
| 475 | E | 83.9 | Confident | 82.7 | Confident | 144 Ų | 144 | 62.9 Ų | 62.9 | 67% | 0.673 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -64.5 | -47.7 | 177.3 | -64 | 175.1 | 177.4 | 0 | 0 | 111 | S473 I477 S478 E479 | S473-E475 PolarHBondContact O-N 2.67Å; S473-E475 PolarHBondContact OG-N 3.49Å; E475-I477 VanDerWaalsContact C-N 3.31Å; E475-I477 PolarHBondContact O-N 2.97Å; E475-S478 PolarHBondContact O-N 3.5Å; E475-S478 VanDerWaalsContact O-N 3.1Å; E475-S478 PolarHBondContact O-OG 2.91Å; E475-E479 WeakPolarHBondContact O-CG 3.42Å; E475-E479 PolarHBondContact O-N 3.44Å |
| 476 | E | 85.4 | Confident | 82.8 | Confident | 45 Ų | 45 | 63.1 Ų | 63.1 | 21% | 0.21 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.9 | -36.3 | 179.1 | -68.9 | 171.4 | 155.8 | 0 | 0 | 112.7 | L460 R467 C472 S473 S478 E479 C480 | L460-E476 HydrophobicContact CD1-CB 4.11Å; R467-E476 IonicContact CZ-OE1 3.56Å; R467-E476 IonicContact NH1-OE1 3.43Å; R467-E476 PolarHBondContact NH1-OE1 3.32Å; C472-E476 VanDerWaalsContact CA-OE2 3.31Å; C472-E476 WeakPolarHBondContact CA-OE2 3.48Å; S473-E476 PolarHBondContact N-OE2 2.86Å; S473-E476 PolarHBondContact O-N 3.41Å; S473-E476 WeakPolarHBondContact OG-CG 3.22Å; S473-E476 PolarHBondContact OG-N 2.95Å; E476-S478 VanDerWaalsContact C-N 3.34Å; E476-E479 PolarHBondContact O-N 3.28Å; E476-C480 PolarHBondContact O-N 3.47Å; E476-C480 PolarHBondContact O-SG 3.05Å |
| 477 | I | 86.7 | Confident | 82.7 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 174.4 | -67 | 169.3 | 0 | 0 | 0 | 110 | L460 C472 S473 Q474 E475 C480 L482 M487 L492 F507 | L460-I477 HydrophobicContact CD2-CG1 3.93Å; C472-I477 HydrophobicContact CB-CG1 4.34Å; S473-I477 WeakPolarHBondContact O-CG1 3.41Å; S473-I477 PolarHBondContact O-N 2.64Å; S473-I477 VanDerWaalsContact O-N 3.15Å; Q474-I477 PolarHBondContact O-N 2.82Å; E475-I477 VanDerWaalsContact C-N 3.31Å; E475-I477 PolarHBondContact O-N 2.97Å; I477-C480 PolarHBondContact O-N 3.06Å; I477-L482 HydrophobicContact CG2-CB 3.77Å; I477-L482 HydrophobicContact CG2-CD1 4.02Å; I477-L482 PolarHBondContact O-N 3.11Å; I477-M487 HydrophobicContact CD1-SD 4.45Å; I477-M487 HydrophobicContact CG2-SD 4.42Å; I477-L492 HydrophobicContact CD1-CD1 3.79Å; I477-L492 HydrophobicContact CG1-CD1 4.12Å; I477-F507 HydrophobicContact CD1-CB 3.94Å; I477-F507 HydrophobicContact CD1-CD1 4.43Å; I477-F507 HydrophobicContact CD1-CD2 3.36Å; I477-F507 HydrophobicContact CD1-CE2 3.96Å; I477-F507 HydrophobicContact CD1-CG 3.66Å |
| 478 | S | 86.6 | Confident | 82.8 | Confident | 74 Ų | 74 | 55.4 Ų | 55.4 | 52% | 0.517 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.3 | -36.7 | 178.9 | 76.3 | 0 | 0 | 0 | 0 | 112.9 | Q474 E475 E476 C480 G481 | Q474-S478 PolarHBondContact O-N 2.9Å; Q474-S478 VanDerWaalsContact O-N 3.15Å; E475-S478 PolarHBondContact O-N 3.5Å; E475-S478 VanDerWaalsContact O-N 3.1Å; E475-S478 PolarHBondContact O-OG 2.91Å; E476-S478 VanDerWaalsContact C-N 3.34Å; S478-C480 PolarHBondContact O-N 3.37Å; S478-G481 PolarHBondContact O-N 3.49Å |
| 479 | E | 88.4 | Confident | 83.1 | Confident | 125 Ų | 125 | 54.1 Ų | 54.1 | 58% | 0.584 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.7 | -24.1 | 173.4 | -71.8 | -176.3 | 172.8 | 0 | 0 | 113.2 | K459 E475 E476 G481 | K459-E479 PolarHBondContact NZ-O 2.85Å; E475-E479 WeakPolarHBondContact O-CG 3.42Å; E475-E479 PolarHBondContact O-N 3.44Å; E476-E479 PolarHBondContact O-N 3.28Å; E479-G481 VanDerWaalsContact C-N 3.3Å |
| 480 | C | 88.1 | Confident | 83.3 | Confident | 13 Ų | 13 | 53.1 Ų | 53.1 | 9% | 0.088 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -1.8 | 174 | -67.2 | 0 | 0 | 0 | 0 | 113.4 | L460 E476 I477 S478 L482 | L460-C480 HydrophobicContact CB-CB 4.37Å; E476-C480 PolarHBondContact O-N 3.47Å; E476-C480 PolarHBondContact O-SG 3.05Å; I477-C480 PolarHBondContact O-N 3.06Å; S478-C480 PolarHBondContact O-N 3.37Å; C480-L482 HydrophobicContact CB-CD1 4.39Å |
| 481 | G | 85.3 | Confident | 83.7 | Confident | 40 Ų | 40 | 51.6 Ų | 51.6 | 41% | 0.412 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 18.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115 | R452 S478 E479 | R452-G481 PolarHBondContact NH2-O 3.42Å; R452-G481 VanDerWaalsContact NH2-O 3.15Å; S478-G481 PolarHBondContact O-N 3.49Å; E479-G481 VanDerWaalsContact C-N 3.3Å |
| 482 | L | 89.3 | Confident | 84 | Confident | 15 Ų | 15 | 50.7 Ų | 50.7 | 8% | 0.079 | 28% | 0.279 | C | S | . | . | trans | -85.3 | 138 | 178.1 | -66.1 | 168.4 | 0 | 0 | 0 | 110.9 | P453 F457 L460 I477 C480 D486 | P453-L482 WeakPolarHBondContact O-CD2 3.48Å; F457-L482 HydrophobicContact CD1-CD1 3.59Å; F457-L482 HydrophobicContact CD1-CD2 4.26Å; F457-L482 HydrophobicContact CD2-CD2 3.94Å; F457-L482 HydrophobicContact CE1-CD1 3.65Å; F457-L482 HydrophobicContact CE1-CD2 4.19Å; F457-L482 HydrophobicContact CE2-CD2 3.86Å; F457-L482 HydrophobicContact CG-CD1 4.14Å; F457-L482 HydrophobicContact CG-CD2 4.12Å; F457-L482 HydrophobicContact CZ-CD1 4.25Å; F457-L482 HydrophobicContact CZ-CD2 3.99Å; L460-L482 HydrophobicContact CD2-CD1 4.36Å; I477-L482 HydrophobicContact CG2-CB 3.77Å; I477-L482 HydrophobicContact CG2-CD1 4.02Å; I477-L482 PolarHBondContact O-N 3.11Å; C480-L482 HydrophobicContact CB-CD1 4.39Å; L482-D486 HydrophobicContact CD2-CB 4.13Å | ||
| 483 | T | 86.7 | Confident | 83.8 | Confident | 54 Ų | 54 | 53.5 Ų | 53.5 | 33% | 0.331 | 29% | 0.289 | S | S | . | . | trans | -97.3 | 170.2 | 175.9 | 69.3 | 0 | 0 | 0 | 0 | 111.8 | E485 D486 M487 | T483-E485 VanDerWaalsContact C-N 3.26Å; T483-E485 PolarHBondContact O-N 2.79Å; T483-E485 PolarHBondContact OG1-N 2.96Å; T483-D486 PolarHBondContact N-OD2 3.22Å; T483-D486 WeakPolarHBondContact O-CB 3.37Å; T483-D486 PolarHBondContact O-N 3.03Å; T483-D486 VanDerWaalsContact O-N 3.17Å; T483-D486 VanDerWaalsContact OG1-CG 3.31Å; T483-D486 PolarHBondContact OG1-N 3Å; T483-D486 PolarHBondContact OG1-OD2 3.26Å; T483-M487 WeakPolarHBondContact O-CG 3.49Å; T483-M487 PolarHBondContact O-N 3.38Å | ||
| 484 | E | 80.2 | Confident | 83.4 | Confident | 154 Ų | 154 | 55 Ų | 55 | 72% | 0.72 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61.7 | -34.1 | 173.2 | -61.8 | -169.4 | 160.7 | 0 | 0 | 112.8 | D486 M487 | E484-D486 VanDerWaalsContact C-N 3.33Å; E484-D486 PolarHBondContact O-N 3.47Å; E484-M487 HydrophobicContact CB-CE 4.05Å; E484-M487 HydrophobicContact CG-CE 3.9Å; E484-M487 WeakPolarHBondContact O-CB 3.48Å; E484-M487 PolarHBondContact O-N 2.86Å |
| 485 | E | 80.8 | Confident | 82.6 | Confident | 165 Ų | 165 | 52.7 Ų | 52.7 | 77% | 0.771 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -64.3 | -38 | 174.2 | -64.2 | 178.4 | 176.6 | 0 | 0 | 111.6 | T483 M487 A488 | T483-E485 VanDerWaalsContact C-N 3.26Å; T483-E485 PolarHBondContact O-N 2.79Å; T483-E485 PolarHBondContact OG1-N 2.96Å; E485-M487 VanDerWaalsContact C-N 3.26Å; E485-M487 PolarHBondContact O-N 3.09Å; E485-A488 WeakPolarHBondContact O-CB 3.49Å; E485-A488 PolarHBondContact O-N 3.48Å; E485-A488 VanDerWaalsContact O-N 3.17Å |
| 486 | D | 84.5 | Confident | 81.2 | Confident | 16 Ų | 16 | 50.9 Ų | 50.9 | 9% | 0.086 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.9 | -33.3 | 176.6 | -63.1 | -36.3 | 0 | 0 | 0 | 111.2 | P453 F457 L482 T483 E484 A488 L489 | P453-D486 HydrophobicContact CB-CB 4.18Å; P453-D486 WeakPolarHBondContact CB-OD1 3.47Å; F457-D486 HydrophobicContact CE2-CB 4.36Å; F457-D486 HydrophobicContact CZ-CB 4.36Å; F457-D486 WeakPolarHBondContact CZ-O 3.31Å; L482-D486 HydrophobicContact CD2-CB 4.13Å; T483-D486 PolarHBondContact N-OD2 3.22Å; T483-D486 WeakPolarHBondContact O-CB 3.37Å; T483-D486 PolarHBondContact O-N 3.03Å; T483-D486 VanDerWaalsContact O-N 3.17Å; T483-D486 VanDerWaalsContact OG1-CG 3.31Å; T483-D486 PolarHBondContact OG1-N 3Å; T483-D486 PolarHBondContact OG1-OD2 3.26Å; E484-D486 VanDerWaalsContact C-N 3.33Å; E484-D486 PolarHBondContact O-N 3.47Å; D486-A488 PolarHBondContact O-N 2.97Å; D486-L489 VanDerWaalsContact O-CB 3.24Å; D486-L489 WeakPolarHBondContact O-CB 3.47Å; D486-L489 VanDerWaalsContact O-CG 3.3Å; D486-L489 WeakPolarHBondContact O-CG 3.36Å; D486-L489 PolarHBondContact O-N 2.91Å; D486-L489 VanDerWaalsContact O-N 3.13Å |
| 487 | M | 81.3 | Confident | 79.5 | Confident | 31 Ų | 31 | 51.7 Ų | 51.7 | 15% | 0.153 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.8 | -29.5 | 176.5 | -59.4 | -162.7 | -72.4 | 0 | 0 | 112.3 | I477 T483 E484 E485 L489 G490 F507 | I477-M487 HydrophobicContact CD1-SD 4.45Å; I477-M487 HydrophobicContact CG2-SD 4.42Å; T483-M487 WeakPolarHBondContact O-CG 3.49Å; T483-M487 PolarHBondContact O-N 3.38Å; E484-M487 HydrophobicContact CB-CE 4.05Å; E484-M487 HydrophobicContact CG-CE 3.9Å; E484-M487 WeakPolarHBondContact O-CB 3.48Å; E484-M487 PolarHBondContact O-N 2.86Å; E485-M487 VanDerWaalsContact C-N 3.26Å; E485-M487 PolarHBondContact O-N 3.09Å; M487-L489 PolarHBondContact O-N 3.43Å; M487-G490 PolarHBondContact O-N 3.42Å; M487-F507 HydrophobicContact SD-CE1 4Å; M487-F507 HydrophobicContact SD-CZ 4.07Å |
| 488 | A | 79.6 | Confident | 77.5 | Confident | 56 Ų | 56 | 54.2 Ų | 54.2 | 46% | 0.463 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -11.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | E485 D486 G490 | E485-A488 WeakPolarHBondContact O-CB 3.49Å; E485-A488 PolarHBondContact O-N 3.48Å; E485-A488 VanDerWaalsContact O-N 3.17Å; D486-A488 PolarHBondContact O-N 2.97Å; A488-G490 PolarHBondContact O-N 2.67Å |
| 489 | L | 79.9 | Confident | 75.3 | Confident | 5 Ų | 5 | 59.6 Ų | 59.6 | 3% | 0.026 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -24.5 | 174.4 | -64.7 | 172.1 | 0 | 0 | 0 | 112.6 | F424 R427 L428 P453 F457 D486 M487 F491 | F424-L489 WeakPolarHBondContact O-CD2 3.28Å; R427-L489 HydrophobicContact CB-CD2 4.46Å; R427-L489 PolarHBondContact NH1-O 3.01Å; L428-L489 HydrophobicContact CD1-CD1 4.38Å; L428-L489 HydrophobicContact CD1-CD2 4.25Å; L428-L489 HydrophobicContact CD2-CD1 4.4Å; L428-L489 HydrophobicContact CD2-CD2 3.68Å; L428-L489 HydrophobicContact CD2-CG 4.47Å; L428-L489 HydrophobicContact CG-CD2 3.62Å; P453-L489 HydrophobicContact CB-CD1 3.81Å; P453-L489 HydrophobicContact CG-CD1 4.07Å; F457-L489 HydrophobicContact CE2-CD1 4.25Å; D486-L489 VanDerWaalsContact O-CB 3.24Å; D486-L489 WeakPolarHBondContact O-CB 3.47Å; D486-L489 VanDerWaalsContact O-CG 3.3Å; D486-L489 WeakPolarHBondContact O-CG 3.36Å; D486-L489 PolarHBondContact O-N 2.91Å; D486-L489 VanDerWaalsContact O-N 3.13Å; M487-L489 PolarHBondContact O-N 3.43Å; L489-F491 HydrophobicContact CB-CD2 4.09Å; L489-F491 HydrophobicContact CB-CE2 4.35Å |
| 490 | G | 78.9 | Confident | 72.9 | Confident | 11 Ų | 11 | 57.3 Ų | 57.3 | 11% | 0.113 | 33% | 0.331 | C | S | . | . | S | Bend | trans | 92.7 | 15 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | M487 A488 L492 I510 | M487-G490 PolarHBondContact O-N 3.42Å; A488-G490 PolarHBondContact O-N 2.67Å; G490-L492 VanDerWaalsContact C-N 3.33Å; G490-I510 WeakPolarHBondContact O-CD1 3.38Å; G490-I510 WeakPolarHBondContact O-CG1 3.34Å |
| 491 | F | 84.8 | Confident | 70.8 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -68.9 | -33.4 | 172.3 | -73.9 | -81.9 | 0 | 0 | 0 | 112.8 | F424 L425 L454 F457 L489 I510 L514 L518 | F424-F491 HydrophobicContact CB-CD2 4.35Å; F424-F491 HydrophobicContact CB-CE2 3.66Å; F424-F491 HydrophobicContact CB-CZ 3.76Å; F424-F491 AromaticContact CD2-CD1 3.49Å; F424-F491 HydrophobicContact CD2-CD1 3.49Å; F424-F491 VanDerWaalsContact CD2-CD1 3.49Å; F424-F491 AromaticContact CD2-CD2 3.71Å; F424-F491 HydrophobicContact CD2-CD2 3.71Å; F424-F491 AromaticContact CD2-CE1 3.42Å; F424-F491 HydrophobicContact CD2-CE1 3.42Å; F424-F491 VanDerWaalsContact CD2-CE1 3.42Å; F424-F491 AromaticContact CD2-CE2 3.63Å; F424-F491 HydrophobicContact CD2-CE2 3.63Å; F424-F491 AromaticContact CD2-CG 3.64Å; F424-F491 HydrophobicContact CD2-CG 3.64Å; F424-F491 AromaticContact CD2-CZ 3.49Å; F424-F491 HydrophobicContact CD2-CZ 3.49Å; F424-F491 VanDerWaalsContact CD2-CZ 3.49Å; F424-F491 AromaticContact CE2-CD1 3.76Å; F424-F491 HydrophobicContact CE2-CD1 3.76Å; F424-F491 AromaticContact CE2-CE1 3.98Å; F424-F491 HydrophobicContact CE2-CE1 3.98Å; F424-F491 HydrophobicContact CE2-CG 4.06Å; F424-F491 HydrophobicContact CE2-CZ 4.47Å; F424-F491 HydrophobicContact CG-CE1 4.41Å; F424-F491 HydrophobicContact CG-CE2 4.18Å; F424-F491 HydrophobicContact CG-CZ 4.11Å; L425-F491 HydrophobicContact CD2-CE2 4.4Å; L454-F491 HydrophobicContact CD1-CE1 4.3Å; L454-F491 HydrophobicContact CD1-CZ 3.93Å; F457-F491 HydrophobicContact CD1-CB 4.01Å; F457-F491 HydrophobicContact CD2-CB 4.21Å; F457-F491 AromaticContact CD2-CD2 3.6Å; F457-F491 HydrophobicContact CD2-CD2 3.6Å; F457-F491 HydrophobicContact CD2-CE2 4.21Å; F457-F491 HydrophobicContact CD2-CG 4.04Å; F457-F491 HydrophobicContact CE1-CB 4.08Å; F457-F491 HydrophobicContact CE2-CB 4.28Å; F457-F491 AromaticContact CE2-CD2 3.64Å; F457-F491 HydrophobicContact CE2-CD2 3.64Å; F457-F491 HydrophobicContact CE2-CE2 4.41Å; F457-F491 HydrophobicContact CE2-CG 4.3Å; F457-F491 HydrophobicContact CG-CB 4.09Å; F457-F491 HydrophobicContact CG-CD2 4.26Å; F457-F491 HydrophobicContact CG-CG 4.25Å; F457-F491 HydrophobicContact CZ-CB 4.22Å; F457-F491 HydrophobicContact CZ-CD2 4.32Å; L489-F491 HydrophobicContact CB-CD2 4.09Å; L489-F491 HydrophobicContact CB-CE2 4.35Å; F491-I510 PolarHBondContact O-N 2.87Å; F491-L514 HydrophobicContact CD1-CD1 4.37Å; F491-L514 HydrophobicContact CD1-CD2 4.16Å; F491-L514 HydrophobicContact CE1-CD1 4.48Å; F491-L518 HydrophobicContact CD1-CD1 3.97Å; F491-L518 HydrophobicContact CD1-CD2 4.49Å; F491-L518 HydrophobicContact CE1-CD2 4.27Å |
| 492 | L | 84.5 | Confident | 69 | Low | 12 Ų | 12 | 67 Ų | 67 | 6% | 0.063 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 150.4 | 177.8 | -65.7 | 177.1 | 0 | 0 | 0 | 110.3 | F457 L460 I477 G490 F507 E508 F509 | F457-L492 HydrophobicContact CD1-CD1 4.18Å; F457-L492 HydrophobicContact CD1-CG 4.13Å; F457-L492 HydrophobicContact CE1-CD1 3.7Å; F457-L492 HydrophobicContact CE1-CG 3.77Å; L460-L492 HydrophobicContact CD2-CD1 3.97Å; L460-L492 HydrophobicContact CD2-CD2 4.42Å; I477-L492 HydrophobicContact CD1-CD1 3.79Å; I477-L492 HydrophobicContact CG1-CD1 4.12Å; G490-L492 VanDerWaalsContact C-N 3.33Å; L492-F507 HydrophobicContact CB-CB 4.44Å; L492-F507 HydrophobicContact CD1-CB 4.33Å; L492-E508 CarbonylContact C-O 3.49Å; L492-E508 WeakPolarHBondContact CA-O 3.44Å; L492-F509 HydrophobicContact CD2-CD1 3.73Å; L492-F509 HydrophobicContact CD2-CD2 4.07Å; L492-F509 HydrophobicContact CD2-CE1 3.73Å; L492-F509 HydrophobicContact CD2-CE2 4.07Å; L492-F509 HydrophobicContact CD2-CG 3.91Å; L492-F509 HydrophobicContact CD2-CZ 3.91Å |
| 493 | R | 77.6 | Confident | 67.3 | Low | 63 Ų | 63 | 69.5 Ų | 69.5 | 24% | 0.238 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 139.3 | 166.8 | 67.6 | 178.8 | -175.1 | -177.4 | 0.6 | 109.6 | M138 F507 E508 | M138-R493 HydrophobicContact CE-CB 4.04Å; R493-F507 WeakPolarHBondContact O-CA 3.42Å; R493-E508 HydrophobicContact CG-CG 3.47Å; R493-E508 VanDerWaalsContact CG-CG 3.47Å; R493-E508 WeakPolarHBondContact CG-O 3.48Å; R493-E508 IonicContact CZ-OE1 3.64Å; R493-E508 PolarHBondContact N-O 3.16Å; R493-E508 IonicContact NE-OE1 4Å; R493-E508 PolarHBondContact NE-OE1 2.76Å; R493-E508 IonicContact NH2-OE1 3.29Å; R493-E508 PolarHBondContact NH2-OE1 2.79Å; R493-E508 PolarHBondContact O-N 3.44Å |
| 494 | P | 74.6 | Confident | 66.1 | Low | 64 Ų | 64 | 71.8 Ų | 71.8 | 42% | 0.416 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 140.6 | 168.5 | 29.6 | -32.7 | 0 | 0 | 0 | 108.8 | S496 F507 | P494-S496 PolarHBondContact O-N 3.45Å; P494-F507 HydrophobicContact CB-CD1 4.16Å; P494-F507 HydrophobicContact CB-CE1 4Å |
| 495 | I | 67.6 | Low | 65.5 | Low | 17 Ų | 17 | 67.2 Ų | 67.2 | 9% | 0.087 | 40% | 0.403 | C | S | . | . | trans | -82.5 | 104.8 | 168.4 | -70.9 | 165.8 | 0 | 0 | 0 | 106.1 | L471 E497 T506 E508 | L471-I495 HydrophobicContact CD2-CD1 3.17Å; I495-E497 VanDerWaalsContact C-N 3.32Å; I495-E497 HydrophobicContact CG2-CB 4.07Å; I495-E497 HydrophobicContact CG2-CG 3.81Å; I495-E497 PolarHBondContact O-N 3.47Å; I495-T506 PolarHBondContact N-O 3.46Å; I495-E508 HydrophobicContact CD1-CB 4.09Å; I495-E508 HydrophobicContact CD1-CG 4.01Å; I495-E508 WeakPolarHBondContact CD1-OE2 3.29Å; I495-E508 HydrophobicContact CG1-CB 4.37Å; I495-E508 VanDerWaalsContact CG1-CD 3.42Å; I495-E508 HydrophobicContact CG1-CG 3.78Å | ||
| 496 | S | 54.5 | Low | 65.3 | Low | 107 Ų | 107 | 61.4 Ų | 61.4 | 75% | 0.748 | 38% | 0.379 | S | S | * | . | trans | -66.1 | 94.5 | 168.2 | 52.5 | 0 | 0 | 0 | 0 | 107.8 | P494 | P494-S496 PolarHBondContact O-N 3.45Š| ||
| 497 | E | 48.8 | Very low | 65.1 | Low | 62 Ų | 62 | 61.7 Ų | 61.7 | 29% | 0.29 | 38% | 0.379 | S | S | . | . | trans | -134.1 | 113.6 | 167.8 | -82.2 | -169.1 | -164.3 | 0 | 0 | 111.3 | R227 I495 | R227-E497 IonicContact CZ-OE1 3.88Å; R227-E497 IonicContact NE-OE1 3.77Å; R227-E497 IonicContact NH2-OE1 2.97Å; R227-E497 PolarHBondContact NH2-OE1 2.58Å; I495-E497 VanDerWaalsContact C-N 3.32Å; I495-E497 HydrophobicContact CG2-CB 4.07Å; I495-E497 HydrophobicContact CG2-CG 3.81Å; I495-E497 PolarHBondContact O-N 3.47Å | ||
| 498 | F | 46 | Very low | 65.2 | Low | 55 Ų | 55 | 60.2 Ų | 60.2 | 24% | 0.241 | 37% | 0.372 | C | S | . | . | trans | 57.4 | 96.2 | 159.4 | -49.5 | -65.9 | 0 | 0 | 0 | 115.9 | K248 Y249 A500 T501 | K248-F498 WeakPolarHBondContact O-CD1 3.39Å; Y249-F498 AromaticContact CD1-CD2 3.8Å; Y249-F498 HydrophobicContact CD1-CD2 3.8Å; Y249-F498 AromaticContact CD1-CE2 3.71Å; Y249-F498 HydrophobicContact CD1-CE2 3.71Å; Y249-F498 HydrophobicContact CD1-CZ 4.41Å; Y249-F498 HydrophobicContact CG-CE2 4.3Å; Y249-F498 WeakPolarHBondContact O-CE1 3.45Å; Y249-F498 WeakPolarHBondContact O-CZ 3.4Å; F498-A500 PolarHBondContact O-N 3.39Å; F498-T501 PolarHBondContact O-N 2.99Å | ||
| 499 | D | 39 | Very low | 65.5 | Low | 187 Ų | 187 | 57.9 Ų | 57.9 | 100% | 1 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | 4.1 | 162.9 | -74.9 | -28.7 | 0 | 0 | 0 | 114.6 | ||
| 500 | A | 39.8 | Very low | 65.5 | Low | 77 Ų | 77 | 59.6 Ų | 59.6 | 64% | 0.636 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | -3.7 | -173 | 0 | 0 | 0 | 0 | 0 | 114.9 | F498 | F498-A500 PolarHBondContact O-N 3.39Š|
| 501 | T | 42.9 | Very low | 65.6 | Low | 73 Ų | 73 | 61.3 Ų | 61.3 | 45% | 0.448 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -138.9 | 135.8 | 176.2 | 41.1 | 0 | 0 | 0 | 0 | 111.7 | F498 A503 | F498-T501 PolarHBondContact O-N 2.99Å; T501-A503 PolarHBondContact O-N 2.99Å |
| 502 | D | 48.3 | Very low | 65.3 | Low | 183 Ų | 183 | 62.2 Ų | 62.2 | 98% | 0.979 | 37% | 0.37 | S | S | * | . | trans | -61.3 | 33 | 172 | -70.2 | -46.6 | 0 | 0 | 0 | 113.9 | ||||
| 503 | A | 53.2 | Low | 65.4 | Low | 68 Ų | 68 | 61.8 Ų | 61.8 | 56% | 0.562 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -75.2 | 141.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | T501 | T501-A503 PolarHBondContact O-N 2.99Š|
| 504 | P | 61.1 | Low | 65.9 | Low | 101 Ų | 101 | 58.9 Ų | 58.9 | 66% | 0.656 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 140.8 | 177.7 | 26.1 | -33.3 | 0 | 0 | 0 | 110.7 | T506 | P504-T506 PolarHBondContact O-N 3.15Š|
| 505 | A | 67.4 | Low | 66.6 | Low | 58 Ų | 58 | 56 Ų | 56 | 48% | 0.479 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 129.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | F507 | A505-F507 HydrophobicContact CB-CE2 3.87Å; A505-F507 HydrophobicContact CB-CZ 4.1Å |
| 506 | T | 76.8 | Confident | 67.7 | Low | 44 Ų | 44 | 55.2 Ų | 55.2 | 27% | 0.27 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 148.9 | 174.9 | 55.1 | 0 | 0 | 0 | 0 | 110.2 | I495 P504 | I495-T506 PolarHBondContact N-O 3.46Å; P504-T506 PolarHBondContact O-N 3.15Å |
| 507 | F | 81.5 | Confident | 69.6 | Low | 21 Ų | 21 | 50.1 Ų | 50.1 | 9% | 0.092 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 154.6 | -174.4 | -60.6 | -97.2 | 0 | 0 | 0 | 110.7 | C472 Q474 I477 M487 L492 R493 P494 A505 | C472-F507 PolarHBondContact N-O 3.4Å; C472-F507 PolarHBondContact O-N 3.04Å; Q474-F507 HydrophobicContact CB-CE2 4.5Å; I477-F507 HydrophobicContact CD1-CB 3.94Å; I477-F507 HydrophobicContact CD1-CD1 4.43Å; I477-F507 HydrophobicContact CD1-CD2 3.36Å; I477-F507 HydrophobicContact CD1-CE2 3.96Å; I477-F507 HydrophobicContact CD1-CG 3.66Å; M487-F507 HydrophobicContact SD-CE1 4Å; M487-F507 HydrophobicContact SD-CZ 4.07Å; L492-F507 HydrophobicContact CB-CB 4.44Å; L492-F507 HydrophobicContact CD1-CB 4.33Å; R493-F507 WeakPolarHBondContact O-CA 3.42Å; P494-F507 HydrophobicContact CB-CD1 4.16Å; P494-F507 HydrophobicContact CB-CE1 4Å; A505-F507 HydrophobicContact CB-CE2 3.87Å; A505-F507 HydrophobicContact CB-CZ 4.1Å |
| 508 | E | 82.3 | Confident | 71.7 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 154.6 | 174 | 60.3 | -166.6 | -175.1 | 0 | 0 | 110.9 | R227 R229 L471 L492 R493 I495 | R227-E508 IonicContact NH1-OE1 3.45Å; R227-E508 PolarHBondContact NH1-OE1 3.08Å; R227-E508 VanDerWaalsContact NH1-OE1 3.16Å; R229-E508 IonicContact CZ-OE2 2.89Å; R229-E508 IonicContact NH1-OE1 3.33Å; R229-E508 IonicContact NH1-OE2 2.98Å; R229-E508 PolarHBondContact NH1-OE2 3.45Å; L471-E508 HydrophobicContact CD2-CB 4.39Å; L492-E508 CarbonylContact C-O 3.49Å; L492-E508 WeakPolarHBondContact CA-O 3.44Å; R493-E508 HydrophobicContact CG-CG 3.47Å; R493-E508 VanDerWaalsContact CG-CG 3.47Å; R493-E508 WeakPolarHBondContact CG-O 3.48Å; R493-E508 IonicContact CZ-OE1 3.64Å; R493-E508 PolarHBondContact N-O 3.16Å; R493-E508 IonicContact NE-OE1 4Å; R493-E508 PolarHBondContact NE-OE1 2.76Å; R493-E508 IonicContact NH2-OE1 3.29Å; R493-E508 PolarHBondContact NH2-OE1 2.79Å; R493-E508 PolarHBondContact O-N 3.44Å; I495-E508 HydrophobicContact CD1-CB 4.09Å; I495-E508 HydrophobicContact CD1-CG 4.01Å; I495-E508 WeakPolarHBondContact CD1-OE2 3.29Å; I495-E508 HydrophobicContact CG1-CB 4.37Å; I495-E508 VanDerWaalsContact CG1-CD 3.42Å; I495-E508 HydrophobicContact CG1-CG 3.78Å |
| 509 | F | 85.9 | Confident | 73.9 | Confident | 7 Ų | 7 | 44.5 Ų | 44.5 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 147.3 | 170.7 | -68.9 | -83.3 | 0 | 0 | 0 | 110 | L460 A461 L492 H511 Q515 L518 | L460-F509 HydrophobicContact CB-CZ 4.46Å; L460-F509 HydrophobicContact CD2-CZ 4.19Å; L460-F509 HydrophobicContact CG-CZ 4.3Å; A461-F509 HydrophobicContact CB-CE1 4.37Å; A461-F509 HydrophobicContact CB-CE2 4.03Å; A461-F509 HydrophobicContact CB-CZ 3.7Å; L492-F509 HydrophobicContact CD2-CD1 3.73Å; L492-F509 HydrophobicContact CD2-CD2 4.07Å; L492-F509 HydrophobicContact CD2-CE1 3.73Å; L492-F509 HydrophobicContact CD2-CE2 4.07Å; L492-F509 HydrophobicContact CD2-CG 3.91Å; L492-F509 HydrophobicContact CD2-CZ 3.91Å; F509-H511 PolarHBondContact O-N 3.38Å; F509-Q515 HydrophobicContact CB-CB 4.11Å; F509-Q515 HydrophobicContact CD2-CB 3.71Å; F509-Q515 HydrophobicContact CD2-CG 3.57Å; F509-Q515 HydrophobicContact CE2-CB 4.31Å; F509-Q515 HydrophobicContact CE2-CG 3.77Å; F509-Q515 HydrophobicContact CG-CB 3.87Å; F509-Q515 HydrophobicContact CG-CG 4.24Å; F509-L518 HydrophobicContact CD1-CD1 3.8Å; F509-L518 HydrophobicContact CE1-CD1 3.41Å; F509-L518 VanDerWaalsContact CE1-CD1 3.41Å; F509-L518 HydrophobicContact CZ-CD1 4.34Å |
| 510 | I | 80.4 | Confident | 76.5 | Confident | 41 Ų | 41 | 35.6 Ų | 35.6 | 21% | 0.21 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -49 | -37.7 | 178.3 | -62 | 162.4 | 0 | 0 | 0 | 111.7 | Y140 F424 G490 F491 L514 | Y140-I510 HydrophobicContact CD1-CD1 3.66Å; Y140-I510 HydrophobicContact CE1-CD1 4.09Å; F424-I510 HydrophobicContact CE2-CD1 3.93Å; F424-I510 HydrophobicContact CZ-CD1 3.67Å; G490-I510 WeakPolarHBondContact O-CD1 3.38Å; G490-I510 WeakPolarHBondContact O-CG1 3.34Å; F491-I510 PolarHBondContact O-N 2.87Å; I510-L514 HydrophobicContact CB-CD2 4.4Å; I510-L514 HydrophobicContact CD1-CD2 4.26Å |
| 511 | H | 79.9 | Confident | 78.9 | Confident | 47 Ų | 47 | 32 Ų | 32 | 22% | 0.218 | 20% | 0.195 | C | C | . | . | trans | -152.8 | 147.2 | 176.5 | -166.2 | -100.7 | 0 | 0 | 0 | 111.4 | L385 F509 T513 L514 Q515 | L385-H511 VanDerWaalsContact CD2-CE1 3.48Å; L385-H511 WeakPolarHBondContact CD2-CE1 3.35Å; F509-H511 PolarHBondContact O-N 3.38Å; H511-T513 PolarHBondContact ND1-N 2.88Å; H511-T513 PolarHBondContact ND1-OG1 3.48Å; H511-T513 PolarHBondContact O-N 3.04Å; H511-L514 VanDerWaalsContact O-CB 3.32Å; H511-L514 WeakPolarHBondContact O-CB 3.26Å; H511-L514 PolarHBondContact O-N 3.33Å; H511-Q515 PolarHBondContact O-N 3.05Å | ||
| 512 | I | 80 | Confident | 81.2 | Confident | 19 Ų | 19 | 29 Ų | 29 | 10% | 0.097 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.3 | -28.5 | -179.8 | -171.4 | 161 | 0 | 0 | 0 | 114.1 | F470 Q515 S516 H573 | F470-I512 HydrophobicContact CD1-CD1 3.67Å; F470-I512 HydrophobicContact CD1-CG1 4.13Å; F470-I512 HydrophobicContact CD2-CD1 4.43Å; F470-I512 HydrophobicContact CE1-CD1 3.24Å; F470-I512 HydrophobicContact CE1-CG1 3.95Å; F470-I512 HydrophobicContact CE2-CD1 4.06Å; F470-I512 HydrophobicContact CG-CD1 4.26Å; F470-I512 HydrophobicContact CZ-CD1 3.46Å; F470-I512 VanDerWaalsContact CZ-CD1 3.46Å; I512-Q515 PolarHBondContact O-N 3.35Å; I512-S516 PolarHBondContact O-N 2.81Å; I512-S516 PolarHBondContact O-OG 3.08Å; I512-H573 HydrophobicContact CD1-CB 4.15Å; I512-H573 HydrophobicContact CG1-CB 4.14Å |
| 513 | T | 85.2 | Confident | 83.2 | Confident | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.012 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -70.7 | -31.5 | 174.2 | 59.1 | 0 | 0 | 0 | 0 | 112.2 | A196 F417 H511 S516 F517 F576 F580 | A196-T513 HydrophobicContact CB-CG2 4.37Å; F417-T513 VanDerWaalsContact CZ-OG1 3.29Å; F417-T513 WeakPolarHBondContact CZ-OG1 3.3Å; H511-T513 PolarHBondContact ND1-N 2.88Å; H511-T513 PolarHBondContact ND1-OG1 3.48Å; H511-T513 PolarHBondContact O-N 3.04Å; T513-S516 WeakPolarHBondContact O-CB 3.29Å; T513-S516 PolarHBondContact O-N 3.39Å; T513-F517 PolarHBondContact O-N 3.47Å; T513-F576 HydrophobicContact CG2-CD2 4.17Å; T513-F576 HydrophobicContact CG2-CE1 4.47Å; T513-F576 HydrophobicContact CG2-CE2 4.11Å; T513-F576 HydrophobicContact CG2-CG 4.39Å; T513-F576 HydrophobicContact CG2-CZ 4.27Å; T513-F580 WeakPolarHBondContact O-CE2 3.21Å |
| 514 | L | 88.1 | Confident | 84.9 | Confident | 3 Ų | 3 | 17.5 Ų | 17.5 | 2% | 0.016 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.7 | -42 | 172.7 | 177.9 | 61.6 | 0 | 0 | 0 | 110.4 | F417 L420 F424 F491 I510 H511 S516 F517 L518 | F417-L514 HydrophobicContact CD1-CB 4.48Å; F417-L514 HydrophobicContact CD1-CD1 4.04Å; F417-L514 HydrophobicContact CE1-CB 4.14Å; F417-L514 HydrophobicContact CE1-CD1 4.49Å; L420-L514 HydrophobicContact CD2-CD1 4.25Å; F424-L514 HydrophobicContact CE2-CD2 4.32Å; F491-L514 HydrophobicContact CD1-CD1 4.37Å; F491-L514 HydrophobicContact CD1-CD2 4.16Å; F491-L514 HydrophobicContact CE1-CD1 4.48Å; I510-L514 HydrophobicContact CB-CD2 4.4Å; I510-L514 HydrophobicContact CD1-CD2 4.26Å; H511-L514 VanDerWaalsContact O-CB 3.32Å; H511-L514 WeakPolarHBondContact O-CB 3.26Å; H511-L514 PolarHBondContact O-N 3.33Å; L514-S516 VanDerWaalsContact C-N 3.3Å; L514-S516 PolarHBondContact O-N 3.4Å; L514-F517 HydrophobicContact CD1-CD1 4.28Å; L514-F517 WeakPolarHBondContact O-CB 3.1Å; L514-F517 PolarHBondContact O-N 3.29Å; L514-L518 HydrophobicContact CD1-CD1 4.4Å; L514-L518 HydrophobicContact CD1-CG 4.35Å; L514-L518 HydrophobicContact CG-CD1 4.21Å; L514-L518 WeakPolarHBondContact O-CB 3.28Å; L514-L518 WeakPolarHBondContact O-CG 3.41Å; L514-L518 PolarHBondContact O-N 3.36Å |
| 515 | Q | 90.2 | Very high | 86.1 | Confident | 3 Ų | 3 | 14.3 Ų | 14.3 | 1% | 0.014 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -58.6 | -43.5 | 171.7 | -173 | 178.6 | -2.4 | 0 | 0 | 111.3 | A461 L465 F509 H511 I512 F517 L518 A519 | A461-Q515 HydrophobicContact CB-CG 3.82Å; A461-Q515 WeakPolarHBondContact CB-O 3.1Å; L465-Q515 HydrophobicContact CD2-CG 4.41Å; L465-Q515 HydrophobicContact CG-CG 4.41Å; F509-Q515 HydrophobicContact CB-CB 4.11Å; F509-Q515 HydrophobicContact CD2-CB 3.71Å; F509-Q515 HydrophobicContact CD2-CG 3.57Å; F509-Q515 HydrophobicContact CE2-CB 4.31Å; F509-Q515 HydrophobicContact CE2-CG 3.77Å; F509-Q515 HydrophobicContact CG-CB 3.87Å; F509-Q515 HydrophobicContact CG-CG 4.24Å; H511-Q515 PolarHBondContact O-N 3.05Å; I512-Q515 PolarHBondContact O-N 3.35Å; Q515-F517 VanDerWaalsContact C-N 3.35Å; Q515-F517 PolarHBondContact O-N 3.13Å; Q515-L518 PolarHBondContact O-N 3.45Å; Q515-A519 WeakPolarHBondContact O-CB 3.49Å; Q515-A519 PolarHBondContact O-N 3.4Å |
| 516 | S | 90.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -62.1 | -39.8 | 176.2 | -54.5 | 0 | 0 | 0 | 0 | 112.6 | I512 T513 L514 A520 H573 T577 | I512-S516 PolarHBondContact O-N 2.81Å; I512-S516 PolarHBondContact O-OG 3.08Å; T513-S516 WeakPolarHBondContact O-CB 3.29Å; T513-S516 PolarHBondContact O-N 3.39Å; L514-S516 VanDerWaalsContact C-N 3.3Å; L514-S516 PolarHBondContact O-N 3.4Å; S516-A520 PolarHBondContact O-N 3.43Å; S516-A520 VanDerWaalsContact O-N 3.08Å; S516-H573 PolarHBondContact OG-O 3.08Å; S516-T577 WeakPolarHBondContact CB-OG1 3.27Å; S516-T577 PolarHBondContact O-OG1 2.99Å |
| 517 | F | 93.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.1 | -48.1 | 174.8 | 168.3 | -96.2 | 0 | 0 | 0 | 112 | T414 F417 L418 S421 T513 L514 Q515 A519 A520 F521 F580 L584 | T414-F517 HydrophobicContact CG2-CE2 4.23Å; F417-F517 HydrophobicContact CB-CB 4.27Å; F417-F517 HydrophobicContact CB-CD1 4.13Å; F417-F517 HydrophobicContact CB-CD2 3.52Å; F417-F517 HydrophobicContact CB-CE1 4.39Å; F417-F517 HydrophobicContact CB-CE2 3.8Å; F417-F517 HydrophobicContact CB-CG 3.69Å; F417-F517 HydrophobicContact CB-CZ 4.23Å; F417-F517 HydrophobicContact CD1-CB 4.15Å; F417-F517 HydrophobicContact CD1-CG 4.34Å; F417-F517 HydrophobicContact CG-CB 4.32Å; F417-F517 HydrophobicContact CG-CD2 4.37Å; F417-F517 HydrophobicContact CG-CG 4.26Å; L418-F517 HydrophobicContact CD2-CE2 4.38Å; L418-F517 HydrophobicContact CD2-CZ 3.94Å; L418-F517 HydrophobicContact CG-CE2 4.21Å; L418-F517 HydrophobicContact CG-CZ 4.16Å; S421-F517 VanDerWaalsContact OG-CE1 3.25Å; S421-F517 WeakPolarHBondContact OG-CE1 3.5Å; T513-F517 PolarHBondContact O-N 3.47Å; L514-F517 HydrophobicContact CD1-CD1 4.28Å; L514-F517 WeakPolarHBondContact O-CB 3.1Å; L514-F517 PolarHBondContact O-N 3.29Å; Q515-F517 VanDerWaalsContact C-N 3.35Å; Q515-F517 PolarHBondContact O-N 3.13Å; F517-A519 PolarHBondContact O-N 3.21Å; F517-A520 WeakPolarHBondContact O-CB 3.45Å; F517-A520 PolarHBondContact O-N 3.41Å; F517-F521 HydrophobicContact CZ-CD2 4.49Å; F517-F521 PolarHBondContact O-N 3.02Å; F517-F580 HydrophobicContact CB-CD1 4.36Å; F517-F580 HydrophobicContact CB-CD2 3.67Å; F517-F580 HydrophobicContact CB-CE1 4.41Å; F517-F580 HydrophobicContact CB-CE2 3.74Å; F517-F580 HydrophobicContact CB-CG 4.01Å; F517-F580 HydrophobicContact CB-CZ 4.12Å; F517-F580 HydrophobicContact CD2-CB 4.18Å; F517-F580 AromaticContact CD2-CD1 3.75Å; F517-F580 HydrophobicContact CD2-CD1 3.75Å; F517-F580 HydrophobicContact CD2-CD2 4.43Å; F517-F580 HydrophobicContact CD2-CE1 4.18Å; F517-F580 AromaticContact CD2-CG 3.89Å; F517-F580 HydrophobicContact CD2-CG 3.89Å; F517-F580 HydrophobicContact CG-CG 4.46Å; F517-L584 HydrophobicContact CE2-CD2 4.16Å |
| 518 | L | 93.4 | Very high | 86 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.6 | -38.5 | 179.4 | -74.7 | 174.6 | 0 | 0 | 0 | 112 | L454 F457 A458 A461 F491 F509 L514 Q515 F521 A522 | L454-L518 HydrophobicContact CD1-CD2 3.67Å; F457-L518 HydrophobicContact CB-CD1 4.16Å; A458-L518 WeakPolarHBondContact CA-O 3.44Å; A458-L518 VanDerWaalsContact CB-O 3.29Å; A458-L518 WeakPolarHBondContact CB-O 3.46Å; A461-L518 HydrophobicContact CB-CB 3.61Å; F491-L518 HydrophobicContact CD1-CD1 3.97Å; F491-L518 HydrophobicContact CD1-CD2 4.49Å; F491-L518 HydrophobicContact CE1-CD2 4.27Å; F509-L518 HydrophobicContact CD1-CD1 3.8Å; F509-L518 HydrophobicContact CE1-CD1 3.41Å; F509-L518 VanDerWaalsContact CE1-CD1 3.41Å; F509-L518 HydrophobicContact CZ-CD1 4.34Å; L514-L518 HydrophobicContact CD1-CD1 4.4Å; L514-L518 HydrophobicContact CD1-CG 4.35Å; L514-L518 HydrophobicContact CG-CD1 4.21Å; L514-L518 WeakPolarHBondContact O-CB 3.28Å; L514-L518 WeakPolarHBondContact O-CG 3.41Å; L514-L518 PolarHBondContact O-N 3.36Å; Q515-L518 PolarHBondContact O-N 3.45Å; L518-F521 VanDerWaalsContact O-CB 3.31Å; L518-F521 WeakPolarHBondContact O-CB 3.13Å; L518-F521 PolarHBondContact O-N 3.19Å; L518-A522 PolarHBondContact O-N 3.13Å |
| 519 | A | 92.4 | Very high | 85 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.3 | -40.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A461 L462 L465 Q515 F517 F521 A522 L523 T577 | A461-A519 HydrophobicContact CB-CB 4.31Å; L462-A519 HydrophobicContact CB-CB 4.25Å; L462-A519 HydrophobicContact CD1-CB 4.29Å; L465-A519 HydrophobicContact CD1-CB 3.45Å; L465-A519 VanDerWaalsContact CD1-CB 3.45Å; L465-A519 HydrophobicContact CG-CB 4.33Å; Q515-A519 WeakPolarHBondContact O-CB 3.49Å; Q515-A519 PolarHBondContact O-N 3.4Å; F517-A519 PolarHBondContact O-N 3.21Å; A519-F521 VanDerWaalsContact C-N 3.29Å; A519-F521 PolarHBondContact O-N 3.13Å; A519-A522 WeakPolarHBondContact O-CB 3.36Å; A519-A522 PolarHBondContact O-N 3.17Å; A519-L523 PolarHBondContact O-N 3.35Å; A519-L523 VanDerWaalsContact O-N 3.12Å; A519-T577 HydrophobicContact CB-CG2 4.3Å |
| 520 | A | 92.6 | Very high | 83.6 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.6 | -38.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | S516 F517 L523 V524 T577 F580 L581 L584 | S516-A520 PolarHBondContact O-N 3.43Å; S516-A520 VanDerWaalsContact O-N 3.08Å; F517-A520 WeakPolarHBondContact O-CB 3.45Å; F517-A520 PolarHBondContact O-N 3.41Å; A520-L523 PolarHBondContact O-N 3.23Å; A520-V524 WeakPolarHBondContact O-CG2 3.46Å; A520-V524 PolarHBondContact O-N 3.06Å; A520-T577 HydrophobicContact CB-CG2 3.97Å; A520-T577 WeakPolarHBondContact CB-O 3.47Å; A520-F580 HydrophobicContact CB-CB 3.68Å; A520-L581 HydrophobicContact CB-CB 4.16Å; A520-L584 HydrophobicContact CB-CD1 4.27Å |
| 521 | F | 91.9 | Very high | 82.4 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.8 | -44.4 | 174.9 | -158 | -94.8 | 0 | 0 | 0 | 111.8 | L454 A458 F517 L518 A519 L523 V524 L525 L584 M593 L596 | L454-F521 HydrophobicContact CD2-CD1 4.13Å; L454-F521 HydrophobicContact CD2-CE1 3.43Å; L454-F521 VanDerWaalsContact CD2-CE1 3.43Å; L454-F521 HydrophobicContact CD2-CE2 4.24Å; L454-F521 HydrophobicContact CD2-CZ 3.5Å; L454-F521 HydrophobicContact CG-CD1 4.23Å; L454-F521 HydrophobicContact CG-CE1 3.91Å; L454-F521 HydrophobicContact CG-CZ 4.45Å; A458-F521 HydrophobicContact CB-CB 4.4Å; A458-F521 HydrophobicContact CB-CD1 4.3Å; F517-F521 HydrophobicContact CZ-CD2 4.49Å; F517-F521 PolarHBondContact O-N 3.02Å; L518-F521 VanDerWaalsContact O-CB 3.31Å; L518-F521 WeakPolarHBondContact O-CB 3.13Å; L518-F521 PolarHBondContact O-N 3.19Å; A519-F521 VanDerWaalsContact C-N 3.29Å; A519-F521 PolarHBondContact O-N 3.13Å; F521-L523 VanDerWaalsContact C-N 3.33Å; F521-L523 PolarHBondContact O-N 3.03Å; F521-V524 PolarHBondContact O-N 2.99Å; F521-L525 HydrophobicContact CD1-CD1 3.66Å; F521-L525 HydrophobicContact CD1-CD2 4.47Å; F521-L525 HydrophobicContact CD1-CG 3.86Å; F521-L525 HydrophobicContact CE1-CD1 3.63Å; F521-L525 HydrophobicContact CE1-CD2 3.97Å; F521-L525 HydrophobicContact CE1-CG 3.84Å; F521-L525 WeakPolarHBondContact O-CG 3.41Å; F521-L525 PolarHBondContact O-N 2.73Å; F521-L584 HydrophobicContact CB-CD1 4.15Å; F521-L584 HydrophobicContact CD2-CD1 3.86Å; F521-L584 HydrophobicContact CD2-CD2 3.93Å; F521-L584 HydrophobicContact CE2-CD2 4.26Å; F521-L584 HydrophobicContact CG-CD1 4.45Å; F521-M593 HydrophobicContact CD2-CE 4.37Å; F521-M593 HydrophobicContact CE2-CE 3.94Å; F521-M593 HydrophobicContact CE2-SD 3.98Å; F521-M593 HydrophobicContact CZ-CE 4.34Å; F521-L596 HydrophobicContact CZ-CD1 3.78Å |
| 522 | A | 91.3 | Very high | 81.6 | Confident | 10 Ų | 10 | 33.4 Ų | 33.4 | 8% | 0.083 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.9 | -43.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A458 L462 L518 A519 V524 L525 D526 | A458-A522 HydrophobicContact CB-CB 3.85Å; A458-A522 WeakPolarHBondContact O-CB 3.48Å; L462-A522 HydrophobicContact CB-CB 3.96Å; L462-A522 HydrophobicContact CD2-CB 3.9Å; L518-A522 PolarHBondContact O-N 3.13Å; A519-A522 WeakPolarHBondContact O-CB 3.36Å; A519-A522 PolarHBondContact O-N 3.17Å; A522-V524 PolarHBondContact O-N 2.83Å; A522-L525 PolarHBondContact O-N 2.9Å; A522-D526 WeakPolarHBondContact O-CB 3.48Å; A522-D526 PolarHBondContact O-N 3.09Å |
| 523 | L | 89.4 | Confident | 81 | Confident | 11 Ų | 11 | 34.3 Ų | 34.3 | 6% | 0.058 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.9 | -29.2 | 175.9 | -69.4 | 177 | 0 | 0 | 0 | 112.9 | L462 A519 A520 F521 F537 T577 L581 K605 | L462-L523 HydrophobicContact CD1-CD2 4.11Å; L462-L523 HydrophobicContact CD1-CG 4.21Å; L462-L523 HydrophobicContact CD2-CD2 4.11Å; A519-L523 PolarHBondContact O-N 3.35Å; A519-L523 VanDerWaalsContact O-N 3.12Å; A520-L523 PolarHBondContact O-N 3.23Å; F521-L523 VanDerWaalsContact C-N 3.33Å; F521-L523 PolarHBondContact O-N 3.03Å; L523-F537 HydrophobicContact CD1-CD2 3.86Å; L523-F537 HydrophobicContact CD1-CE2 3.85Å; L523-T577 HydrophobicContact CD1-CG2 4.39Å; L523-L581 HydrophobicContact CB-CD1 4.34Å; L523-L581 HydrophobicContact CD1-CD2 4.47Å; L523-K605 PolarHBondContact O-NZ 3Å |
| 524 | V | 88.6 | Confident | 80.7 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -77.5 | -41.1 | 174.7 | -177.4 | 0 | 0 | 0 | 0 | 111.2 | A520 F521 A522 L581 L584 L585 M593 V597 K605 | A520-V524 WeakPolarHBondContact O-CG2 3.46Å; A520-V524 PolarHBondContact O-N 3.06Å; F521-V524 PolarHBondContact O-N 2.99Å; A522-V524 PolarHBondContact O-N 2.83Å; V524-L581 HydrophobicContact CG2-CD1 3.67Å; V524-L584 HydrophobicContact CG2-CB 4.06Å; V524-L584 HydrophobicContact CG2-CD1 4.23Å; V524-L585 HydrophobicContact CG1-CD2 4.08Å; V524-L585 HydrophobicContact CG2-CD2 4.15Å; V524-L585 HydrophobicContact CG2-CG 4.21Å; V524-M593 HydrophobicContact CB-CE 3.86Å; V524-M593 HydrophobicContact CG1-CE 3.3Å; V524-M593 HydrophobicContact CG2-CE 4.5Å; V524-V597 HydrophobicContact CG1-CG2 4.47Å; V524-K605 PolarHBondContact O-NZ 3.31Å |
| 525 | L | 87 | Confident | 80.4 | Confident | 33 Ų | 33 | 35.7 Ų | 35.7 | 17% | 0.173 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.8 | -31.3 | 179 | -67.4 | -175.5 | 0 | 0 | 0 | 113.8 | L451 A455 F521 A522 E527 L596 V597 | L451-L525 HydrophobicContact CD1-CD1 4.34Å; L451-L525 HydrophobicContact CD1-CD2 4.25Å; A455-L525 HydrophobicContact CB-CD1 3.83Å; F521-L525 HydrophobicContact CD1-CD1 3.66Å; F521-L525 HydrophobicContact CD1-CD2 4.47Å; F521-L525 HydrophobicContact CD1-CG 3.86Å; F521-L525 HydrophobicContact CE1-CD1 3.63Å; F521-L525 HydrophobicContact CE1-CD2 3.97Å; F521-L525 HydrophobicContact CE1-CG 3.84Å; F521-L525 WeakPolarHBondContact O-CG 3.41Å; F521-L525 PolarHBondContact O-N 2.73Å; A522-L525 PolarHBondContact O-N 2.9Å; L525-E527 PolarHBondContact O-N 3.01Å; L525-L596 HydrophobicContact CD2-CB 4.45Å; L525-V597 HydrophobicContact CD2-CG2 3.7Å |
| 526 | D | 83.3 | Confident | 79.8 | Confident | 56 Ų | 56 | 39.8 Ų | 39.8 | 30% | 0.299 | 21% | 0.214 | S | C | . | . | trans | -61.3 | 119.6 | -174 | 179.6 | 17.8 | 0 | 0 | 0 | 112.3 | A522 Q528 T529 K605 | A522-D526 WeakPolarHBondContact O-CB 3.48Å; A522-D526 PolarHBondContact O-N 3.09Å; D526-Q528 PolarHBondContact OD1-N 2.84Å; D526-T529 WeakPolarHBondContact CB-OG1 3.13Å; D526-T529 PolarHBondContact O-OG1 3.1Å; D526-T529 VanDerWaalsContact OD2-CB 3.26Å; D526-T529 WeakPolarHBondContact OD2-CB 3.49Å; D526-T529 WeakPolarHBondContact OD2-CG2 3.31Å; D526-T529 PolarHBondContact OD2-N 2.93Å; D526-T529 PolarHBondContact OD2-OG1 2.96Å; D526-K605 PolarHBondContact O-NZ 3.45Å | ||
| 527 | E | 73.6 | Confident | 79.2 | Confident | 137 Ų | 137 | 40 Ų | 40 | 64% | 0.64 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -86.6 | -20.4 | -179.8 | -60.3 | -166.2 | 150 | 0 | 0 | 113 | L525 L601 | L525-E527 PolarHBondContact O-N 3.01Å; E527-L601 HydrophobicContact CB-CD2 4.47Å; E527-L601 HydrophobicContact CG-CD2 4.35Å |
| 528 | Q | 65.3 | Low | 78.5 | Confident | 174 Ų | 174 | 40.3 Ų | 40.3 | 81% | 0.813 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -93.5 | -6.8 | -171.9 | -62.6 | -69.3 | -9.5 | 0 | 0 | 113.3 | D526 S530 | D526-Q528 PolarHBondContact OD1-N 2.84Å; Q528-S530 PolarHBondContact O-N 3.47Å |
| 529 | T | 61.7 | Low | 77.6 | Confident | 26 Ų | 26 | 43 Ų | 43 | 16% | 0.16 | 24% | 0.235 | C | C | . | . | trans | -68.9 | 124 | -174.3 | -1.6 | 0 | 0 | 0 | 0 | 112.1 | D526 S533 | D526-T529 WeakPolarHBondContact CB-OG1 3.13Å; D526-T529 PolarHBondContact O-OG1 3.1Å; D526-T529 VanDerWaalsContact OD2-CB 3.26Å; D526-T529 WeakPolarHBondContact OD2-CB 3.49Å; D526-T529 WeakPolarHBondContact OD2-CG2 3.31Å; D526-T529 PolarHBondContact OD2-N 2.93Å; D526-T529 PolarHBondContact OD2-OG1 2.96Å; T529-S533 WeakPolarHBondContact CG2-OG 3.35Å | ||
| 530 | S | 56.7 | Low | 76.7 | Confident | 78 Ų | 78 | 44.9 Ų | 44.9 | 55% | 0.545 | 24% | 0.244 | S | C | . | . | trans | -56.6 | 147 | 162.1 | 75.9 | 0 | 0 | 0 | 0 | 109.9 | Q528 N532 S533 | Q528-S530 PolarHBondContact O-N 3.47Å; S530-N532 PolarHBondContact O-N 3.33Å; S530-S533 PolarHBondContact N-OG 3.43Å; S530-S533 PolarHBondContact O-N 3.39Å; S530-S533 VanDerWaalsContact O-N 3.09Å; S530-S533 PolarHBondContact O-OG 3.06Å; S530-S533 PolarHBondContact OG-OG 3.47Å | ||
| 531 | G | 56.3 | Low | 75.5 | Confident | 21 Ų | 21 | 45.7 Ų | 45.7 | 22% | 0.216 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -22.4 | -173 | 0 | 0 | 0 | 0 | 0 | 115.3 | I534 L608 | G531-I534 WeakPolarHBondContact O-CG2 3.38Å; G531-L608 WeakPolarHBondContact O-CD1 3.49Å |
| 532 | N | 61.3 | Low | 73.9 | Confident | 129 Ų | 129 | 48.4 Ų | 48.4 | 69% | 0.69 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -22.6 | -178.7 | -71.4 | -13.6 | 0 | 0 | 0 | 114 | S530 I534 L535 | S530-N532 PolarHBondContact O-N 3.33Å; N532-I534 VanDerWaalsContact C-N 3.33Å; N532-I534 PolarHBondContact O-N 3.29Å; N532-L535 PolarHBondContact O-N 3.04Å |
| 533 | S | 68.9 | Low | 72 | Confident | 37 Ų | 37 | 56.5 Ų | 56.5 | 26% | 0.259 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -74.1 | -21.4 | -176.8 | 33.4 | 0 | 0 | 0 | 0 | 113.4 | T529 S530 L535 K536 | T529-S533 WeakPolarHBondContact CG2-OG 3.35Å; S530-S533 PolarHBondContact N-OG 3.43Å; S530-S533 PolarHBondContact O-N 3.39Å; S530-S533 VanDerWaalsContact O-N 3.09Å; S530-S533 PolarHBondContact O-OG 3.06Å; S530-S533 PolarHBondContact OG-OG 3.47Å; S533-L535 PolarHBondContact O-N 3.28Å; S533-K536 WeakPolarHBondContact O-CB 3.38Å; S533-K536 PolarHBondContact O-N 2.73Å |
| 534 | I | 78.9 | Confident | 69.8 | Low | 7 Ų | 7 | 65.9 Ų | 65.9 | 4% | 0.036 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -66.7 | -24.7 | 172.4 | -159.7 | 170 | 0 | 0 | 0 | 112.8 | G531 N532 L581 L585 K605 | G531-I534 WeakPolarHBondContact O-CG2 3.38Å; N532-I534 VanDerWaalsContact C-N 3.33Å; N532-I534 PolarHBondContact O-N 3.29Å; I534-L581 HydrophobicContact CD1-CD1 4.08Å; I534-L581 HydrophobicContact CG1-CD1 4.06Å; I534-L581 HydrophobicContact CG1-CD2 3.88Å; I534-L581 WeakPolarHBondContact O-CD2 3.36Å; I534-L585 HydrophobicContact CD1-CD1 4.12Å; I534-K605 HydrophobicContact CD1-CB 3.78Å; I534-K605 HydrophobicContact CD1-CD 3.61Å; I534-K605 HydrophobicContact CD1-CG 3.62Å |
| 535 | L | 80.6 | Confident | 67.3 | Low | 28 Ų | 28 | 73.8 Ų | 73.8 | 15% | 0.147 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -97.7 | 9.3 | 177.9 | -59.9 | 178.3 | 0 | 0 | 0 | 112.5 | N532 S533 F537 F538 S539 L609 Y612 | N532-L535 PolarHBondContact O-N 3.04Å; S533-L535 PolarHBondContact O-N 3.28Å; L535-F537 VanDerWaalsContact C-N 3.35Å; L535-F537 PolarHBondContact O-N 3.36Å; L535-F538 HydrophobicContact CD2-CD2 3.62Å; L535-F538 HydrophobicContact CD2-CE2 4.02Å; L535-F538 HydrophobicContact CD2-CG 4.43Å; L535-F538 WeakPolarHBondContact O-CB 3.43Å; L535-F538 PolarHBondContact O-N 2.81Å; L535-F538 VanDerWaalsContact O-N 3.15Å; L535-S539 PolarHBondContact O-N 3.07Å; L535-L609 HydrophobicContact CD2-CD1 4.36Å; L535-Y612 HydrophobicContact CD1-CD2 4.14Å; L535-Y612 HydrophobicContact CD1-CG 4.15Å; L535-Y612 HydrophobicContact CD2-CD1 4.47Å; L535-Y612 HydrophobicContact CD2-CG 4.25Å |
| 536 | K | 79.2 | Confident | 64.3 | Low | 88 Ų | 88 | 80.3 Ų | 80.3 | 38% | 0.383 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -53.3 | -51.1 | -178.6 | 179.5 | -179.8 | 170.7 | -173.8 | 0 | 111.1 | E466 S533 F538 S539 E540 | E466-K536 IonicContact OE1-NZ 2.83Å; E466-K536 PolarHBondContact OE1-NZ 2.62Å; S533-K536 WeakPolarHBondContact O-CB 3.38Å; S533-K536 PolarHBondContact O-N 2.73Å; K536-F538 PolarHBondContact O-N 2.73Å; K536-S539 PolarHBondContact O-N 2.82Å; K536-S539 VanDerWaalsContact O-N 3.16Å; K536-S539 PolarHBondContact O-OG 2.59Å; K536-E540 PolarHBondContact O-N 2.82Å |
| 537 | F | 78.4 | Confident | 61.6 | Low | 5 Ų | 5 | 82.9 Ų | 82.9 | 2% | 0.022 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -70.1 | -27.9 | -179.3 | -61.6 | -49.4 | 0 | 0 | 0 | 113.9 | L462 E466 L523 L535 C541 L574 T577 N578 | L462-F537 HydrophobicContact CD1-CE2 3.87Å; L462-F537 HydrophobicContact CD1-CZ 3.98Å; E466-F537 HydrophobicContact CG-CZ 4.35Å; L523-F537 HydrophobicContact CD1-CD2 3.86Å; L523-F537 HydrophobicContact CD1-CE2 3.85Å; L535-F537 VanDerWaalsContact C-N 3.35Å; L535-F537 PolarHBondContact O-N 3.36Å; F537-C541 WeakPolarHBondContact O-CB 3.19Å; F537-C541 PolarHBondContact O-N 2.86Å; F537-C541 PolarHBondContact O-SG 3.43Å; F537-L574 HydrophobicContact CB-CB 4.43Å; F537-L574 HydrophobicContact CD1-CD1 4.29Å; F537-L574 HydrophobicContact CD1-CD2 3.63Å; F537-L574 HydrophobicContact CD1-CG 4.4Å; F537-L574 HydrophobicContact CE1-CD2 3.79Å; F537-L574 HydrophobicContact CG-CD2 4.26Å; F537-T577 HydrophobicContact CD2-CG2 3.87Å; F537-T577 HydrophobicContact CE2-CG2 4.11Å; F537-N578 WeakPolarHBondContact CB-OD1 3.01Å; F537-N578 PolarHBondContact O-ND2 2.97Å |
| 538 | F | 78.3 | Confident | 59.3 | Low | 7 Ų | 7 | 82.9 Ų | 82.9 | 3% | 0.031 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -64.5 | -41.8 | 170.4 | -81.5 | -75.4 | 0 | 0 | 0 | 111.4 | L535 K536 S542 N578 L581 L609 Y612 L613 | L535-F538 HydrophobicContact CD2-CD2 3.62Å; L535-F538 HydrophobicContact CD2-CE2 4.02Å; L535-F538 HydrophobicContact CD2-CG 4.43Å; L535-F538 WeakPolarHBondContact O-CB 3.43Å; L535-F538 PolarHBondContact O-N 2.81Å; L535-F538 VanDerWaalsContact O-N 3.15Å; K536-F538 PolarHBondContact O-N 2.73Å; F538-S542 WeakPolarHBondContact O-CB 3.48Å; F538-S542 PolarHBondContact O-N 3.45Å; F538-S542 PolarHBondContact O-OG 3.3Å; F538-N578 HydrophobicContact CD1-CB 4.1Å; F538-N578 HydrophobicContact CD2-CB 4.28Å; F538-N578 WeakPolarHBondContact CD2-OD1 3.39Å; F538-N578 HydrophobicContact CE1-CB 3.7Å; F538-N578 HydrophobicContact CE2-CB 3.89Å; F538-N578 WeakPolarHBondContact CE2-OD1 3.22Å; F538-N578 HydrophobicContact CG-CB 4.4Å; F538-N578 HydrophobicContact CZ-CB 3.59Å; F538-N578 PolarHBondContact N-ND2 2.55Å; F538-N578 PolarHBondContact N-OD1 2.82Å; F538-L581 HydrophobicContact CE2-CD2 4.17Å; F538-L609 HydrophobicContact CE2-CD1 3.79Å; F538-L609 HydrophobicContact CZ-CD1 3.9Å; F538-Y612 HydrophobicContact CB-CE1 3.8Å; F538-Y612 HydrophobicContact CB-CE2 4.33Å; F538-Y612 HydrophobicContact CD1-CD1 4.04Å; F538-Y612 AromaticContact CD1-CE1 3.27Å; F538-Y612 HydrophobicContact CD1-CE1 3.27Å; F538-Y612 AromaticContact CD1-CZ 3.93Å; F538-Y612 HydrophobicContact CD2-CE1 4.4Å; F538-Y612 HydrophobicContact CE1-CD1 4.3Å; F538-Y612 AromaticContact CE1-CE1 3.84Å; F538-Y612 HydrophobicContact CE1-CE1 3.84Å; F538-Y612 HydrophobicContact CG-CD1 4.16Å; F538-Y612 AromaticContact CG-CE1 3.58Å; F538-Y612 HydrophobicContact CG-CE1 3.58Å; F538-L613 HydrophobicContact CE1-CD2 4.11Å; F538-L613 HydrophobicContact CZ-CD2 4.32Å |
| 539 | S | 74.6 | Confident | 57.3 | Low | 55 Ų | 55 | 80.1 Ų | 80.1 | 39% | 0.385 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -68.6 | -37.5 | 177.6 | 75.9 | 0 | 0 | 0 | 0 | 112.4 | L535 K536 S542 R543 | L535-S539 PolarHBondContact O-N 3.07Å; K536-S539 PolarHBondContact O-N 2.82Å; K536-S539 VanDerWaalsContact O-N 3.16Å; K536-S539 PolarHBondContact O-OG 2.59Å; S539-S542 PolarHBondContact O-N 3.27Å; S539-S542 VanDerWaalsContact O-N 3.15Å; S539-R543 PolarHBondContact O-N 3.16Å |
| 540 | E | 72.6 | Confident | 55.6 | Low | 40 Ų | 40 | 87 Ų | 87 | 19% | 0.187 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -66.4 | -38.4 | 177.3 | -168.5 | 155 | -147.2 | 0 | 0 | 111.9 | K536 S542 R566 L574 | K536-E540 PolarHBondContact O-N 2.82Å; E540-S542 VanDerWaalsContact C-N 3.25Å; E540-S542 PolarHBondContact O-N 3.41Å; E540-R566 IonicContact OE1-NH1 3.2Å; E540-R566 PolarHBondContact OE1-NH1 2.91Å; E540-L574 HydrophobicContact CB-CD1 4.43Å; E540-L574 HydrophobicContact CG-CD1 3.95Å |
| 541 | C | 67.3 | Low | 54.1 | Low | 18 Ų | 18 | 88.9 Ų | 88.9 | 12% | 0.122 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -70.4 | -17.8 | 173 | -66.9 | 0 | 0 | 0 | 0 | 114.1 | F537 | F537-C541 WeakPolarHBondContact O-CB 3.19Å; F537-C541 PolarHBondContact O-N 2.86Å; F537-C541 PolarHBondContact O-SG 3.43Å |
| 542 | S | 58.3 | Low | 52.5 | Low | 57 Ų | 57 | 96.7 Ų | 96.7 | 40% | 0.399 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -97 | -11.5 | -175.7 | -57.9 | 0 | 0 | 0 | 0 | 113.7 | F538 S539 E540 R544 Y612 | F538-S542 WeakPolarHBondContact O-CB 3.48Å; F538-S542 PolarHBondContact O-N 3.45Å; F538-S542 PolarHBondContact O-OG 3.3Å; S539-S542 PolarHBondContact O-N 3.27Å; S539-S542 VanDerWaalsContact O-N 3.15Å; E540-S542 VanDerWaalsContact C-N 3.25Å; E540-S542 PolarHBondContact O-N 3.41Å; S542-R544 PolarHBondContact O-N 3.03Å; S542-Y612 PolarHBondContact OG-OH 2.82Å |
| 543 | R | 52.3 | Low | 50.7 | Low | 180 Ų | 180 | 94.8 Ų | 94.8 | 68% | 0.679 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -68.5 | 122 | 177.6 | -73.4 | 178.8 | -173 | 159.4 | 2.7 | 109.5 | S539 R545 | S539-R543 PolarHBondContact O-N 3.16Å; R543-R545 PolarHBondContact O-N 3.02Å |
| 544 | R | 41.8 | Very low | 48.5 | Very low | 208 Ų | 208 | 102 Ų | 102 | 79% | 0.785 | 53% | 0.534 | S | S | * | . | trans | -58.6 | 128.2 | -177.3 | -74.6 | -177.3 | 172.5 | -173 | -4.7 | 110.7 | S542 E546 G623 | S542-R544 PolarHBondContact O-N 3.03Å; R544-E546 PolarHBondContact O-N 3.19Å; R544-G623 PolarHBondContact NH2-O 3.46Å | ||
| 545 | R | 37.3 | Very low | 45.8 | Very low | 165 Ų | 165 | 106.2 Ų | 106.2 | 62% | 0.623 | 56% | 0.563 | S | S | * | * | trans | -70.1 | 108.1 | 149.7 | -74 | -178.4 | 179.7 | -175.7 | -2.9 | 106 | R543 S568 S569 | R543-R545 PolarHBondContact O-N 3.02Å; R545-S568 PolarHBondContact NH2-O 3.21Å; R545-S569 PolarHBondContact NH2-O 2.9Å | ||
| 546 | E | 24.1 | Very low | 43.1 | Very low | 170 Ų | 170 | 111.2 Ų | 111.2 | 79% | 0.794 | 60% | 0.595 | S | S | * | * | trans | -65.8 | 128.2 | 163.6 | -77.8 | -175.9 | 165.6 | 0 | 0 | 107.5 | R544 C548 | R544-E546 PolarHBondContact O-N 3.19Å; E546-C548 PolarHBondContact O-N 2.81Å | ||
| 547 | P | 26.7 | Very low | 40.5 | Very low | 111 Ų | 111 | 118.3 Ų | 118.3 | 72% | 0.721 | 62% | 0.619 | S | S | * | * | trans | -68 | 120.1 | 169.6 | 17.4 | -13.1 | 0 | 0 | 0 | 108 | C549 | P547-C549 PolarHBondContact O-N 2.93Š| ||
| 548 | C | 24.1 | Very low | 37.9 | Very low | 137 Ų | 137 | 123.6 Ų | 123.6 | 93% | 0.926 | 66% | 0.657 | S | S | * | * | trans | -59.3 | 98.6 | 168.8 | -71.9 | 0 | 0 | 0 | 0 | 109.3 | E546 | E546-C548 PolarHBondContact O-N 2.81Š| ||
| 549 | C | 24.5 | Very low | 35.4 | Very low | 116 Ų | 116 | 133.1 Ų | 133.1 | 78% | 0.784 | 70% | 0.698 | S | S | * | * | trans | -114.3 | 131.2 | 159.8 | -65.2 | 0 | 0 | 0 | 0 | 107.9 | P547 | P547-C549 PolarHBondContact O-N 2.93Š| ||
| 550 | L | 26.4 | Very low | 33 | Very low | 171 Ų | 171 | 136.9 Ų | 136.9 | 90% | 0.895 | 72% | 0.718 | S | S | * | * | trans | -53.2 | 161.2 | -170.8 | -77.1 | 162.4 | 0 | 0 | 0 | 115.3 | ||||
| 551 | P | 25.3 | Very low | 30.6 | Very low | 117 Ų | 117 | 144 Ų | 144 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | trans | -83.9 | 135.3 | -164.5 | 32.5 | -32 | 0 | 0 | 0 | 112.8 | ||||
| 552 | L | 22.7 | Very low | 28.4 | Very low | 184 Ų | 184 | 149.3 Ų | 149.3 | 96% | 0.963 | 78% | 0.783 | S | S | * | * | trans | -118.2 | 130.8 | 152.6 | -109.7 | 140.4 | 0 | 0 | 0 | 108.2 | ||||
| 553 | A | 23.1 | Very low | 27 | Very low | 90 Ų | 90 | 152.1 Ų | 152.1 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | trans | -73.9 | 162 | -154.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 554 | F | 21.8 | Very low | 25.7 | Very low | 189 Ų | 189 | 151.3 Ų | 151.3 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | trans | 107.4 | 100.7 | 140.9 | -129.8 | -104.5 | 0 | 0 | 0 | 119.5 | ||||
| 555 | C | 22.8 | Very low | 24.9 | Very low | 95 Ų | 95 | 151.4 Ų | 151.4 | 64% | 0.642 | 81% | 0.812 | S | S | * | * | trans | 70.1 | 132.3 | 139.4 | -70.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 556 | T | 23.6 | Very low | 24.5 | Very low | 133 Ų | 133 | 151.8 Ų | 151.8 | 82% | 0.816 | 81% | 0.813 | S | S | * | * | cis | -157.3 | 149.2 | 32.2 | 34.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 557 | R | 25.3 | Very low | 25 | Very low | 237 Ų | 237 | 146.9 Ų | 146.9 | 89% | 0.894 | 80% | 0.796 | S | S | * | * | trans | -1.1 | 121.4 | 160 | -72.7 | 172.9 | 169.2 | 166.8 | -3.5 | 120.1 | ||||
| 558 | S | 23.3 | Very low | 25.4 | Very low | 116 Ų | 116 | 145.1 Ų | 145.1 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | -161.4 | 138.1 | 120.4 | 41.4 | 0 | 0 | 0 | 0 | 111.1 | V560 | S558-V560 PolarHBondContact O-N 3.41Š| |||
| 559 | F | 25.8 | Very low | 26.3 | Very low | 207 Ų | 207 | 141.2 Ų | 141.2 | 91% | 0.908 | 76% | 0.76 | S | S | * | * | trans | -66.7 | 116.9 | -168.7 | -80.4 | -103 | 0 | 0 | 0 | 112.8 | ||||
| 560 | V | 23.8 | Very low | 27.6 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 81% | 0.806 | 73% | 0.733 | S | S | * | * | trans | -119.7 | 130.5 | 153.7 | -180 | 0 | 0 | 0 | 0 | 106.2 | S558 | S558-V560 PolarHBondContact O-N 3.41Š| ||
| 561 | K | 22.7 | Very low | 29.5 | Very low | 189 Ų | 189 | 131.4 Ų | 131.4 | 82% | 0.822 | 70% | 0.702 | S | S | * | * | trans | -47.2 | 139.8 | 177.6 | -79.4 | 177.5 | 172.4 | -178.8 | 0 | 110.2 | C563 | K561-C563 PolarHBondContact O-N 2.81Š| ||
| 562 | P | 21.7 | Very low | 31.7 | Very low | 131 Ų | 131 | 127.4 Ų | 127.4 | 85% | 0.851 | 67% | 0.673 | S | S | * | * | trans | -60.7 | 113.7 | 172.3 | -7.9 | 21.8 | 0 | 0 | 0 | 107.4 | ||||
| 563 | C | 28.8 | Very low | 34.2 | Very low | 116 Ų | 116 | 119.6 Ų | 119.6 | 78% | 0.784 | 63% | 0.632 | S | S | * | * | trans | -69.1 | 129.7 | 174.4 | -169.1 | 0 | 0 | 0 | 0 | 107.7 | K561 K565 | K561-C563 PolarHBondContact O-N 2.81Å; C563-K565 PolarHBondContact O-N 2.84Å; C563-K565 VanDerWaalsContact O-N 3.08Å | ||
| 564 | E | 24.6 | Very low | 37.1 | Very low | 162 Ų | 162 | 115.6 Ų | 115.6 | 76% | 0.757 | 60% | 0.598 | S | S | * | * | trans | -45.2 | 117 | 165.9 | -70.8 | 169.2 | 171.6 | 0 | 0 | 108.5 | R566 | E564-R566 PolarHBondContact O-N 2.99Š| ||
| 565 | K | 24.8 | Very low | 40.1 | Very low | 211 Ų | 211 | 108 Ų | 108 | 92% | 0.917 | 57% | 0.565 | S | S | * | * | trans | -66 | 100.6 | 175.5 | -71.8 | -179.6 | 177.5 | -178.9 | 0 | 107.1 | C563 | C563-K565 PolarHBondContact O-N 2.84Å; C563-K565 VanDerWaalsContact O-N 3.08Å | ||
| 566 | R | 28.7 | Very low | 43.1 | Very low | 173 Ų | 173 | 104.7 Ų | 104.7 | 65% | 0.653 | 54% | 0.54 | S | S | * | . | trans | -82 | 139.1 | 167.5 | -76.8 | -171.8 | -175.7 | -170.2 | -5.3 | 109.7 | E540 E564 | E540-R566 IonicContact OE1-NH1 3.2Å; E540-R566 PolarHBondContact OE1-NH1 2.91Å; E564-R566 PolarHBondContact O-N 2.99Å | ||
| 567 | P | 35.2 | Very low | 46.3 | Very low | 66 Ų | 66 | 98.3 Ų | 98.3 | 43% | 0.429 | 50% | 0.501 | S | S | . | . | trans | -73.7 | 164.4 | -159.4 | 27.2 | -35.4 | 0 | 0 | 0 | 114.7 | E285 S569 | E285-P567 HydrophobicContact CG-CB 4.05Å; E285-P567 VanDerWaalsContact OE1-CA 3.3Å; E285-P567 WeakPolarHBondContact OE1-CA 3.41Å; P567-S569 PolarHBondContact O-N 2.88Å | ||
| 568 | S | 34.6 | Very low | 49.3 | Very low | 74 Ų | 74 | 87.2 Ų | 87.2 | 52% | 0.517 | 46% | 0.459 | S | S | . | . | trans | -68.1 | 35.9 | 175 | 66.3 | 0 | 0 | 0 | 0 | 115.2 | E285 R545 | E285-S568 WeakPolarHBondContact OE1-CB 3.19Å; E285-S568 PolarHBondContact OE1-N 3.48Å; E285-S568 PolarHBondContact OE1-OG 3.46Å; R545-S568 PolarHBondContact NH2-O 3.21Å | ||
| 569 | S | 42.9 | Very low | 52.5 | Low | 55 Ų | 55 | 82 Ų | 82 | 39% | 0.385 | 42% | 0.422 | S | S | . | . | trans | -69.6 | 142 | 172 | 66.5 | 0 | 0 | 0 | 0 | 110.6 | R545 P567 N571 | R545-S569 PolarHBondContact NH2-O 2.9Å; P567-S569 PolarHBondContact O-N 2.88Å; S569-N571 PolarHBondContact O-N 3.44Å | ||
| 570 | T | 52.3 | Low | 55.7 | Low | 33 Ų | 33 | 72.1 Ų | 72.1 | 20% | 0.202 | 38% | 0.379 | C | S | . | . | trans | -70.6 | 109 | 170.1 | 42.4 | 0 | 0 | 0 | 0 | 107.8 | I329 E572 | I329-T570 HydrophobicContact CG1-CG2 4.3Å; T570-E572 PolarHBondContact O-N 2.67Å | ||
| 571 | N | 65.9 | Low | 58.9 | Low | 49 Ų | 49 | 65.9 Ų | 65.9 | 26% | 0.262 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 25.2 | 178.6 | -73 | -28.2 | 0 | 0 | 0 | 113.8 | S569 H573 L574 Q575 | S569-N571 PolarHBondContact O-N 3.44Å; N571-H573 VanDerWaalsContact C-N 3.34Å; N571-H573 PolarHBondContact O-N 3.24Å; N571-L574 HydrophobicContact CB-CB 4.37Å; N571-L574 HydrophobicContact CB-CD1 4.09Å; N571-L574 HydrophobicContact CB-CG 4.39Å; N571-L574 WeakPolarHBondContact O-CA 3.42Å; N571-L574 WeakPolarHBondContact O-CB 3.4Å; N571-L574 PolarHBondContact O-N 3.35Å; N571-L574 VanDerWaalsContact O-N 3.1Å; N571-Q575 WeakPolarHBondContact O-CG 3.5Å; N571-Q575 PolarHBondContact O-N 2.67Å |
| 572 | E | 71.1 | Confident | 62.2 | Low | 32 Ų | 32 | 56.9 Ų | 56.9 | 15% | 0.15 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.3 | -39.9 | -176.7 | -74 | -176.2 | 166.9 | 0 | 0 | 112.5 | R326 T570 L574 Q575 F576 | R326-E572 WeakPolarHBondContact CD-OE2 3.29Å; R326-E572 IonicContact CZ-OE2 2.65Å; R326-E572 IonicContact NE-OE2 3.49Å; R326-E572 IonicContact NH1-OE2 2.84Å; R326-E572 PolarHBondContact NH1-OE2 2.96Å; T570-E572 PolarHBondContact O-N 2.67Å; E572-L574 VanDerWaalsContact C-N 3.25Å; E572-L574 PolarHBondContact O-N 3.49Å; E572-Q575 CarbonylContact O-C 3.52Å; E572-Q575 WeakPolarHBondContact O-CA 3.37Å; E572-Q575 WeakPolarHBondContact O-CB 3.46Å; E572-Q575 PolarHBondContact O-N 3.25Å; E572-F576 WeakPolarHBondContact O-CD2 3.13Å; E572-F576 PolarHBondContact O-N 3.14Å |
| 573 | H | 76.4 | Confident | 65.5 | Low | 21 Ų | 21 | 50.7 Ų | 50.7 | 10% | 0.097 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.5 | -35.4 | 176 | 57.6 | -86.8 | 0 | 0 | 0 | 111.2 | I512 S516 N571 F576 T577 | I512-H573 HydrophobicContact CD1-CB 4.15Å; I512-H573 HydrophobicContact CG1-CB 4.14Å; S516-H573 PolarHBondContact OG-O 3.08Å; N571-H573 VanDerWaalsContact C-N 3.34Å; N571-H573 PolarHBondContact O-N 3.24Å; H573-F576 PolarHBondContact O-N 3.38Å; H573-T577 PolarHBondContact O-N 2.84Å; H573-T577 PolarHBondContact O-OG1 2.84Å |
| 574 | L | 83.3 | Confident | 68.4 | Low | 6 Ų | 6 | 45.1 Ų | 45.1 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.7 | -37.1 | 171.3 | -53.3 | -176 | 0 | 0 | 0 | 111.7 | F537 E540 N571 E572 T577 N578 | F537-L574 HydrophobicContact CB-CB 4.43Å; F537-L574 HydrophobicContact CD1-CD1 4.29Å; F537-L574 HydrophobicContact CD1-CD2 3.63Å; F537-L574 HydrophobicContact CD1-CG 4.4Å; F537-L574 HydrophobicContact CE1-CD2 3.79Å; F537-L574 HydrophobicContact CG-CD2 4.26Å; E540-L574 HydrophobicContact CB-CD1 4.43Å; E540-L574 HydrophobicContact CG-CD1 3.95Å; N571-L574 HydrophobicContact CB-CB 4.37Å; N571-L574 HydrophobicContact CB-CD1 4.09Å; N571-L574 HydrophobicContact CB-CG 4.39Å; N571-L574 WeakPolarHBondContact O-CA 3.42Å; N571-L574 WeakPolarHBondContact O-CB 3.4Å; N571-L574 PolarHBondContact O-N 3.35Å; N571-L574 VanDerWaalsContact O-N 3.1Å; E572-L574 VanDerWaalsContact C-N 3.25Å; E572-L574 PolarHBondContact O-N 3.49Å; L574-T577 WeakPolarHBondContact O-CB 3.02Å; L574-T577 PolarHBondContact O-N 2.83Å; L574-N578 PolarHBondContact O-N 3.35Å; L574-N578 PolarHBondContact O-ND2 3.27Å |
| 575 | Q | 85.1 | Confident | 71.5 | Confident | 30 Ų | 30 | 37.8 Ų | 37.8 | 14% | 0.14 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.9 | -40.7 | 175 | -67 | 168.3 | -19.3 | 0 | 0 | 111.9 | N571 E572 N578 L579 W643 | N571-Q575 WeakPolarHBondContact O-CG 3.5Å; N571-Q575 PolarHBondContact O-N 2.67Å; E572-Q575 CarbonylContact O-C 3.52Å; E572-Q575 WeakPolarHBondContact O-CA 3.37Å; E572-Q575 WeakPolarHBondContact O-CB 3.46Å; E572-Q575 PolarHBondContact O-N 3.25Å; Q575-N578 PolarHBondContact O-N 2.87Å; Q575-L579 WeakPolarHBondContact O-CB 3.15Å; Q575-L579 PolarHBondContact O-N 2.93Å; Q575-W643 HydrophobicContact CB-CD2 3.6Å; Q575-W643 HydrophobicContact CB-CE3 3.61Å; Q575-W643 HydrophobicContact CB-CG 4.15Å; Q575-W643 HydrophobicContact CB-CH2 3.97Å; Q575-W643 HydrophobicContact CB-CZ2 4Å; Q575-W643 HydrophobicContact CB-CZ3 3.8Å; Q575-W643 HydrophobicContact CG-CD2 4.15Å; Q575-W643 HydrophobicContact CG-CG 4.2Å |
| 576 | F | 85.9 | Confident | 74.6 | Confident | 24 Ų | 24 | 28 Ų | 28 | 11% | 0.105 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62 | -42.1 | 170.2 | -80.7 | -68.1 | 0 | 0 | 0 | 111.5 | L413 T513 E572 H573 N578 L579 F580 W643 | L413-F576 HydrophobicContact CD2-CD1 3.93Å; L413-F576 HydrophobicContact CD2-CE1 3.76Å; T513-F576 HydrophobicContact CG2-CD2 4.17Å; T513-F576 HydrophobicContact CG2-CE1 4.47Å; T513-F576 HydrophobicContact CG2-CE2 4.11Å; T513-F576 HydrophobicContact CG2-CG 4.39Å; T513-F576 HydrophobicContact CG2-CZ 4.27Å; E572-F576 WeakPolarHBondContact O-CD2 3.13Å; E572-F576 PolarHBondContact O-N 3.14Å; H573-F576 PolarHBondContact O-N 3.38Å; F576-N578 VanDerWaalsContact C-N 3.34Å; F576-N578 PolarHBondContact O-N 3.05Å; F576-L579 WeakPolarHBondContact O-CB 3.43Å; F576-L579 PolarHBondContact O-N 3.1Å; F576-L579 VanDerWaalsContact O-N 3.16Å; F576-F580 HydrophobicContact CB-CD2 4.3Å; F576-F580 HydrophobicContact CB-CE2 4.03Å; F576-F580 HydrophobicContact CD1-CE2 4.31Å; F576-F580 WeakPolarHBondContact O-CD2 3.4Å; F576-F580 WeakPolarHBondContact O-CG 3.41Å; F576-F580 PolarHBondContact O-N 3.34Å; F576-W643 AromaticContact CD1-CH2 3.91Å; F576-W643 HydrophobicContact CD1-CH2 3.91Å; F576-W643 HydrophobicContact CD1-CZ3 4.14Å; F576-W643 AromaticContact CD2-CH2 3.85Å; F576-W643 HydrophobicContact CD2-CH2 3.85Å; F576-W643 AromaticContact CE1-CH2 3.8Å; F576-W643 HydrophobicContact CE1-CH2 3.8Å; F576-W643 HydrophobicContact CE1-CZ3 4.31Å; F576-W643 AromaticContact CE2-CH2 3.74Å; F576-W643 HydrophobicContact CE2-CH2 3.74Å; F576-W643 HydrophobicContact CE2-CZ2 4.36Å; F576-W643 AromaticContact CG-CH2 3.93Å; F576-W643 HydrophobicContact CG-CH2 3.93Å; F576-W643 HydrophobicContact CG-CZ3 4.31Å; F576-W643 AromaticContact CZ-CH2 3.71Å; F576-W643 HydrophobicContact CZ-CH2 3.71Å; F576-W643 HydrophobicContact CZ-CZ2 4.49Å |
| 577 | T | 89.2 | Confident | 77.2 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.8 | -45.8 | 175.6 | -55.7 | 0 | 0 | 0 | 0 | 111.1 | S516 A519 A520 L523 F537 H573 L574 L579 F580 L581 | S516-T577 WeakPolarHBondContact CB-OG1 3.27Å; S516-T577 PolarHBondContact O-OG1 2.99Å; A519-T577 HydrophobicContact CB-CG2 4.3Å; A520-T577 HydrophobicContact CB-CG2 3.97Å; A520-T577 WeakPolarHBondContact CB-O 3.47Å; L523-T577 HydrophobicContact CD1-CG2 4.39Å; F537-T577 HydrophobicContact CD2-CG2 3.87Å; F537-T577 HydrophobicContact CE2-CG2 4.11Å; H573-T577 PolarHBondContact O-N 2.84Å; H573-T577 PolarHBondContact O-OG1 2.84Å; L574-T577 WeakPolarHBondContact O-CB 3.02Å; L574-T577 PolarHBondContact O-N 2.83Å; T577-L579 VanDerWaalsContact C-N 3.34Å; T577-L579 PolarHBondContact O-N 2.97Å; T577-F580 PolarHBondContact O-N 2.83Å; T577-L581 VanDerWaalsContact O-CB 3.22Å; T577-L581 WeakPolarHBondContact O-CB 3.29Å; T577-L581 PolarHBondContact O-N 3.39Å |
| 578 | N | 89.8 | Confident | 79.4 | Confident | 4 Ų | 4 | 27.3 Ų | 27.3 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.1 | -37.6 | 175.4 | -72.8 | -33.1 | 0 | 0 | 0 | 113.1 | F537 F538 L574 Q575 F576 S582 | F537-N578 WeakPolarHBondContact CB-OD1 3.01Å; F537-N578 PolarHBondContact O-ND2 2.97Å; F538-N578 HydrophobicContact CD1-CB 4.1Å; F538-N578 HydrophobicContact CD2-CB 4.28Å; F538-N578 WeakPolarHBondContact CD2-OD1 3.39Å; F538-N578 HydrophobicContact CE1-CB 3.7Å; F538-N578 HydrophobicContact CE2-CB 3.89Å; F538-N578 WeakPolarHBondContact CE2-OD1 3.22Å; F538-N578 HydrophobicContact CG-CB 4.4Å; F538-N578 HydrophobicContact CZ-CB 3.59Å; F538-N578 PolarHBondContact N-ND2 2.55Å; F538-N578 PolarHBondContact N-OD1 2.82Å; L574-N578 PolarHBondContact O-N 3.35Å; L574-N578 PolarHBondContact O-ND2 3.27Å; Q575-N578 PolarHBondContact O-N 2.87Å; F576-N578 VanDerWaalsContact C-N 3.34Å; F576-N578 PolarHBondContact O-N 3.05Å; N578-S582 PolarHBondContact O-N 2.96Å; N578-S582 VanDerWaalsContact O-N 3.1Å; N578-S582 PolarHBondContact O-OG 3.17Å |
| 579 | L | 90.8 | Very high | 81.8 | Confident | 6 Ų | 6 | 25.3 Ų | 25.3 | 3% | 0.031 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.4 | -52.6 | 176.5 | -177.1 | 158.5 | 0 | 0 | 0 | 110.5 | L413 Q575 F576 T577 L581 S582 G583 W643 R646 E650 | L413-L579 HydrophobicContact CB-CD2 4.09Å; L413-L579 HydrophobicContact CD2-CD2 4.02Å; Q575-L579 WeakPolarHBondContact O-CB 3.15Å; Q575-L579 PolarHBondContact O-N 2.93Å; F576-L579 WeakPolarHBondContact O-CB 3.43Å; F576-L579 PolarHBondContact O-N 3.1Å; F576-L579 VanDerWaalsContact O-N 3.16Å; T577-L579 VanDerWaalsContact C-N 3.34Å; T577-L579 PolarHBondContact O-N 2.97Å; L579-L581 VanDerWaalsContact C-N 3.33Å; L579-L581 PolarHBondContact O-N 2.81Å; L579-S582 WeakPolarHBondContact O-CA 3.39Å; L579-S582 WeakPolarHBondContact O-CB 3.49Å; L579-S582 PolarHBondContact O-N 2.73Å; L579-G583 PolarHBondContact O-N 3.38Å; L579-G583 VanDerWaalsContact O-N 3.1Å; L579-W643 HydrophobicContact CB-CZ3 4.4Å; L579-W643 HydrophobicContact CD1-CE3 4.14Å; L579-W643 HydrophobicContact CD1-CZ3 3.7Å; L579-R646 HydrophobicContact CD1-CB 3.81Å; L579-E650 HydrophobicContact CD2-CG 3.53Å; L579-E650 HydrophobicContact CG-CG 3.69Å |
| 580 | F | 92 | Very high | 83.7 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.1 | -39 | 178.1 | -68.3 | -53.5 | 0 | 0 | 0 | 112.3 | L413 T414 F417 T513 F517 A520 F576 T577 S582 G583 L584 | L413-F580 HydrophobicContact CB-CE1 4.35Å; L413-F580 HydrophobicContact CD2-CE1 3.97Å; L413-F580 HydrophobicContact CD2-CZ 3.87Å; L413-F580 HydrophobicContact CG-CE1 3.81Å; L413-F580 HydrophobicContact CG-CZ 4.08Å; T414-F580 HydrophobicContact CG2-CD1 4.43Å; F417-F580 HydrophobicContact CB-CE1 4.25Å; F417-F580 AromaticContact CD2-CE1 3.58Å; F417-F580 HydrophobicContact CD2-CE1 3.58Å; F417-F580 AromaticContact CD2-CZ 3.55Å; F417-F580 HydrophobicContact CD2-CZ 3.55Å; F417-F580 HydrophobicContact CE2-CE1 4.19Å; F417-F580 AromaticContact CE2-CZ 3.75Å; F417-F580 HydrophobicContact CE2-CZ 3.75Å; F417-F580 HydrophobicContact CG-CE1 4.01Å; F417-F580 AromaticContact CG-CZ 3.99Å; F417-F580 HydrophobicContact CG-CZ 3.99Å; F417-F580 HydrophobicContact CZ-CZ 4.34Å; T513-F580 WeakPolarHBondContact O-CE2 3.21Å; F517-F580 HydrophobicContact CB-CD1 4.36Å; F517-F580 HydrophobicContact CB-CD2 3.67Å; F517-F580 HydrophobicContact CB-CE1 4.41Å; F517-F580 HydrophobicContact CB-CE2 3.74Å; F517-F580 HydrophobicContact CB-CG 4.01Å; F517-F580 HydrophobicContact CB-CZ 4.12Å; F517-F580 HydrophobicContact CD2-CB 4.18Å; F517-F580 AromaticContact CD2-CD1 3.75Å; F517-F580 HydrophobicContact CD2-CD1 3.75Å; F517-F580 HydrophobicContact CD2-CD2 4.43Å; F517-F580 HydrophobicContact CD2-CE1 4.18Å; F517-F580 AromaticContact CD2-CG 3.89Å; F517-F580 HydrophobicContact CD2-CG 3.89Å; F517-F580 HydrophobicContact CG-CG 4.46Å; A520-F580 HydrophobicContact CB-CB 3.68Å; F576-F580 HydrophobicContact CB-CD2 4.3Å; F576-F580 HydrophobicContact CB-CE2 4.03Å; F576-F580 HydrophobicContact CD1-CE2 4.31Å; F576-F580 WeakPolarHBondContact O-CD2 3.4Å; F576-F580 WeakPolarHBondContact O-CG 3.41Å; F576-F580 PolarHBondContact O-N 3.34Å; T577-F580 PolarHBondContact O-N 2.83Å; F580-S582 PolarHBondContact O-N 2.99Å; F580-G583 PolarHBondContact O-N 3.38Å; F580-G583 VanDerWaalsContact O-N 3.16Å; F580-L584 WeakPolarHBondContact O-CB 3.46Å; F580-L584 VanDerWaalsContact O-CG 3.3Å; F580-L584 WeakPolarHBondContact O-CG 3.36Å; F580-L584 PolarHBondContact O-N 2.88Å |
| 581 | L | 92.1 | Very high | 85.1 | Confident | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.8 | -39.3 | 173.4 | 177 | 64.2 | 0 | 0 | 0 | 111.4 | A520 L523 V524 I534 F538 T577 L579 L585 | A520-L581 HydrophobicContact CB-CB 4.16Å; L523-L581 HydrophobicContact CB-CD1 4.34Å; L523-L581 HydrophobicContact CD1-CD2 4.47Å; V524-L581 HydrophobicContact CG2-CD1 3.67Å; I534-L581 HydrophobicContact CD1-CD1 4.08Å; I534-L581 HydrophobicContact CG1-CD1 4.06Å; I534-L581 HydrophobicContact CG1-CD2 3.88Å; I534-L581 WeakPolarHBondContact O-CD2 3.36Å; F538-L581 HydrophobicContact CE2-CD2 4.17Å; T577-L581 VanDerWaalsContact O-CB 3.22Å; T577-L581 WeakPolarHBondContact O-CB 3.29Å; T577-L581 PolarHBondContact O-N 3.39Å; L579-L581 VanDerWaalsContact C-N 3.33Å; L579-L581 PolarHBondContact O-N 2.81Å; L581-L585 HydrophobicContact CD1-CD1 3.84Å; L581-L585 HydrophobicContact CD1-CG 4.34Å; L581-L585 HydrophobicContact CG-CD1 4.22Å; L581-L585 WeakPolarHBondContact O-CB 3.32Å; L581-L585 WeakPolarHBondContact O-CG 3.27Å; L581-L585 PolarHBondContact O-N 3.34Å; L581-L585 VanDerWaalsContact O-N 3.15Å |
| 582 | S | 91.8 | Very high | 86 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.8 | -38.2 | 177.7 | -57.9 | 0 | 0 | 0 | 0 | 112.5 | N578 L579 F580 S586 C647 | N578-S582 PolarHBondContact O-N 2.96Å; N578-S582 VanDerWaalsContact O-N 3.1Å; N578-S582 PolarHBondContact O-OG 3.17Å; L579-S582 WeakPolarHBondContact O-CA 3.39Å; L579-S582 WeakPolarHBondContact O-CB 3.49Å; L579-S582 PolarHBondContact O-N 2.73Å; F580-S582 PolarHBondContact O-N 2.99Å; S582-S586 PolarHBondContact O-N 3.3Å; S582-C647 WeakPolarHBondContact CB-O 3.37Å |
| 583 | G | 90.1 | Very high | 86.7 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -72.9 | -41.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L579 F580 L585 S586 | L579-G583 PolarHBondContact O-N 3.38Å; L579-G583 VanDerWaalsContact O-N 3.1Å; F580-G583 PolarHBondContact O-N 3.38Å; F580-G583 VanDerWaalsContact O-N 3.16Å; G583-L585 VanDerWaalsContact C-N 3.26Å; G583-L585 PolarHBondContact O-N 2.97Å; G583-S586 WeakPolarHBondContact O-CB 3.47Å; G583-S586 PolarHBondContact O-N 2.95Å; G583-S586 PolarHBondContact O-OG 3.47Å |
| 584 | L | 90.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64 | -33.9 | 176.3 | -69.1 | 172.1 | 0 | 0 | 0 | 111.6 | T414 L418 F517 A520 F521 V524 F580 S586 M593 | T414-L584 HydrophobicContact CG2-CD2 3.98Å; T414-L584 HydrophobicContact CG2-CG 3.99Å; L418-L584 HydrophobicContact CD1-CD2 4.37Å; L418-L584 HydrophobicContact CD2-CD2 3.98Å; L418-L584 HydrophobicContact CG-CD2 4.37Å; F517-L584 HydrophobicContact CE2-CD2 4.16Å; A520-L584 HydrophobicContact CB-CD1 4.27Å; F521-L584 HydrophobicContact CB-CD1 4.15Å; F521-L584 HydrophobicContact CD2-CD1 3.86Å; F521-L584 HydrophobicContact CD2-CD2 3.93Å; F521-L584 HydrophobicContact CE2-CD2 4.26Å; F521-L584 HydrophobicContact CG-CD1 4.45Å; V524-L584 HydrophobicContact CG2-CB 4.06Å; V524-L584 HydrophobicContact CG2-CD1 4.23Å; F580-L584 WeakPolarHBondContact O-CB 3.46Å; F580-L584 VanDerWaalsContact O-CG 3.3Å; F580-L584 WeakPolarHBondContact O-CG 3.36Å; F580-L584 PolarHBondContact O-N 2.88Å; L584-S586 VanDerWaalsContact C-N 3.29Å; L584-S586 PolarHBondContact O-N 3.39Å; L584-M593 HydrophobicContact CD2-SD 4.32Å; L584-M593 WeakPolarHBondContact O-CG 3.34Å |
| 585 | L | 90.1 | Very high | 86.9 | Confident | 8 Ų | 8 | 28.5 Ų | 28.5 | 4% | 0.042 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 5.2 | 175.3 | -65.6 | 176.3 | 0 | 0 | 0 | 113.6 | V524 I534 L581 G583 L602 K605 R606 L609 | V524-L585 HydrophobicContact CG1-CD2 4.08Å; V524-L585 HydrophobicContact CG2-CD2 4.15Å; V524-L585 HydrophobicContact CG2-CG 4.21Å; I534-L585 HydrophobicContact CD1-CD1 4.12Å; L581-L585 HydrophobicContact CD1-CD1 3.84Å; L581-L585 HydrophobicContact CD1-CG 4.34Å; L581-L585 HydrophobicContact CG-CD1 4.22Å; L581-L585 WeakPolarHBondContact O-CB 3.32Å; L581-L585 WeakPolarHBondContact O-CG 3.27Å; L581-L585 PolarHBondContact O-N 3.34Å; L581-L585 VanDerWaalsContact O-N 3.15Å; G583-L585 VanDerWaalsContact C-N 3.26Å; G583-L585 PolarHBondContact O-N 2.97Å; L585-L602 HydrophobicContact CD2-CD1 4.48Å; L585-K605 HydrophobicContact CD1-CB 4.22Å; L585-K605 HydrophobicContact CD2-CB 4.15Å; L585-R606 HydrophobicContact CB-CG 4.16Å; L585-R606 HydrophobicContact CD2-CG 4.44Å; L585-R606 WeakPolarHBondContact O-CG 3.45Å; L585-R606 PolarHBondContact O-NE 3.11Å; L585-L609 HydrophobicContact CB-CD2 4.15Å; L585-L609 HydrophobicContact CD1-CD2 4.07Å |
| 586 | S | 89.3 | Confident | 86.8 | Confident | 5 Ų | 5 | 28.2 Ų | 28.2 | 4% | 0.035 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -64.6 | 164.5 | 177.8 | 70.9 | 0 | 0 | 0 | 0 | 112.8 | S582 G583 L584 S588 Q589 R606 T651 | S582-S586 PolarHBondContact O-N 3.3Å; G583-S586 WeakPolarHBondContact O-CB 3.47Å; G583-S586 PolarHBondContact O-N 2.95Å; G583-S586 PolarHBondContact O-OG 3.47Å; L584-S586 VanDerWaalsContact C-N 3.29Å; L584-S586 PolarHBondContact O-N 3.39Å; S586-S588 PolarHBondContact OG-OG 3.34Å; S586-Q589 PolarHBondContact OG-N 2.89Å; S586-R606 PolarHBondContact O-NH2 3.32Å; S586-T651 WeakPolarHBondContact CB-O 3.5Å |
| 587 | K | 83.8 | Confident | 86.7 | Confident | 146 Ų | 146 | 27.5 Ų | 27.5 | 64% | 0.635 | 16% | 0.16 | S | C | * | . | S | Bend | trans | -71.3 | -31.2 | 175.3 | -72.3 | -176.8 | -179.1 | 176.1 | 0 | 112.7 | Q589 A590 | K587-Q589 VanDerWaalsContact C-N 3.33Å; K587-A590 WeakPolarHBondContact O-CB 3.48Å; K587-A590 PolarHBondContact O-N 3.09Å |
| 588 | S | 81.6 | Confident | 86.4 | Confident | 78 Ų | 78 | 30.1 Ų | 30.1 | 55% | 0.545 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -41.5 | 178.8 | 44.2 | 0 | 0 | 0 | 0 | 111.1 | S586 A590 | S586-S588 PolarHBondContact OG-OG 3.34Å; S588-A590 VanDerWaalsContact C-N 3.27Å; S588-A590 PolarHBondContact O-N 3.43Å |
| 589 | Q | 84.1 | Confident | 86.1 | Confident | 33 Ų | 33 | 34.6 Ų | 34.6 | 15% | 0.154 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 11.6 | 179.3 | -54.1 | -54.7 | -17.6 | 0 | 0 | 113.9 | D415 L418 S586 K587 S591 L592 M593 | D415-Q589 PolarHBondContact OD1-NE2 2.87Å; L418-Q589 HydrophobicContact CD1-CG 3.92Å; S586-Q589 PolarHBondContact OG-N 2.89Å; K587-Q589 VanDerWaalsContact C-N 3.33Å; Q589-S591 VanDerWaalsContact C-N 3.33Å; Q589-S591 PolarHBondContact O-N 3.43Å; Q589-L592 PolarHBondContact O-N 2.98Å; Q589-M593 HydrophobicContact CB-CG 4.4Å; Q589-M593 WeakPolarHBondContact O-CB 3.42Å; Q589-M593 WeakPolarHBondContact O-CG 3.31Å; Q589-M593 PolarHBondContact O-N 3.2Å |
| 590 | A | 82 | Confident | 85.7 | Confident | 32 Ų | 32 | 36.9 Ų | 36.9 | 26% | 0.264 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.6 | -34.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | K587 S588 G594 | K587-A590 WeakPolarHBondContact O-CB 3.48Å; K587-A590 PolarHBondContact O-N 3.09Å; S588-A590 VanDerWaalsContact C-N 3.27Å; S588-A590 PolarHBondContact O-N 3.43Å; A590-G594 WeakPolarHBondContact O-CA 3.5Å; A590-G594 PolarHBondContact O-N 3.49Å |
| 591 | S | 83.4 | Confident | 85.3 | Confident | 79 Ų | 79 | 38.2 Ų | 38.2 | 55% | 0.552 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -67.3 | -50.4 | 176.9 | 50.6 | 0 | 0 | 0 | 0 | 110.8 | Q589 G594 Q595 | Q589-S591 VanDerWaalsContact C-N 3.33Å; Q589-S591 PolarHBondContact O-N 3.43Å; S591-G594 PolarHBondContact O-N 3.14Å; S591-Q595 PolarHBondContact O-N 3.29Å |
| 592 | L | 84.6 | Confident | 85 | Confident | 8 Ų | 8 | 38.6 Ų | 38.6 | 4% | 0.042 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.5 | -56.1 | 178.9 | -177.6 | 64.4 | 0 | 0 | 0 | 111 | L418 F447 Q589 G594 Q595 | L418-L592 HydrophobicContact CD2-CD2 4.05Å; F447-L592 HydrophobicContact CB-CD1 3.98Å; F447-L592 HydrophobicContact CD2-CD1 3.98Å; F447-L592 HydrophobicContact CD2-CD2 4.39Å; F447-L592 HydrophobicContact CE2-CD2 4.41Å; F447-L592 HydrophobicContact CG-CD1 4.06Å; Q589-L592 PolarHBondContact O-N 2.98Å; L592-G594 VanDerWaalsContact C-N 3.29Å; L592-G594 PolarHBondContact O-N 2.79Å; L592-Q595 PolarHBondContact O-N 3.41Å |
| 593 | M | 86 | Confident | 84.8 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.9 | -28 | -177 | -61.2 | -52 | -74 | 0 | 0 | 113.1 | F521 V524 L584 Q589 Q595 L596 V597 L602 | F521-M593 HydrophobicContact CD2-CE 4.37Å; F521-M593 HydrophobicContact CE2-CE 3.94Å; F521-M593 HydrophobicContact CE2-SD 3.98Å; F521-M593 HydrophobicContact CZ-CE 4.34Å; V524-M593 HydrophobicContact CB-CE 3.86Å; V524-M593 HydrophobicContact CG1-CE 3.3Å; V524-M593 HydrophobicContact CG2-CE 4.5Å; L584-M593 HydrophobicContact CD2-SD 4.32Å; L584-M593 WeakPolarHBondContact O-CG 3.34Å; Q589-M593 HydrophobicContact CB-CG 4.4Å; Q589-M593 WeakPolarHBondContact O-CB 3.42Å; Q589-M593 WeakPolarHBondContact O-CG 3.31Å; Q589-M593 PolarHBondContact O-N 3.2Å; M593-Q595 PolarHBondContact O-N 3.23Å; M593-L596 PolarHBondContact O-N 3.47Å; M593-L596 HydrophobicContact SD-CD1 4.27Å; M593-V597 PolarHBondContact O-N 2.91Å; M593-L602 HydrophobicContact CB-CD1 3.59Å |
| 594 | G | 80 | Confident | 84.6 | Confident | 29 Ų | 29 | 52.3 Ų | 52.3 | 30% | 0.299 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69.9 | -18.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | A590 S591 L592 | A590-G594 WeakPolarHBondContact O-CA 3.5Å; A590-G594 PolarHBondContact O-N 3.49Å; S591-G594 PolarHBondContact O-N 3.14Å; L592-G594 VanDerWaalsContact C-N 3.29Å; L592-G594 PolarHBondContact O-N 2.79Å |
| 595 | Q | 82.9 | Confident | 84.4 | Confident | 114 Ų | 114 | 52.7 Ų | 52.7 | 53% | 0.533 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -85.5 | -22.9 | 171.4 | -67.4 | -175.5 | 11.8 | 0 | 0 | 112.7 | S591 L592 M593 | S591-Q595 PolarHBondContact O-N 3.29Å; L592-Q595 PolarHBondContact O-N 3.41Å; M593-Q595 PolarHBondContact O-N 3.23Å |
| 596 | L | 82.6 | Confident | 84.4 | Confident | 24 Ų | 24 | 55.3 Ų | 55.3 | 13% | 0.126 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -94.2 | -28.9 | -177.9 | -55.7 | 179.5 | 0 | 0 | 0 | 113 | F447 L451 F521 L525 M593 | F447-L596 HydrophobicContact CB-CD1 4.44Å; F447-L596 HydrophobicContact CB-CD2 4.49Å; L451-L596 HydrophobicContact CD1-CD2 4.14Å; L451-L596 HydrophobicContact CD2-CD2 4.15Å; F521-L596 HydrophobicContact CZ-CD1 3.78Å; L525-L596 HydrophobicContact CD2-CB 4.45Å; M593-L596 PolarHBondContact O-N 3.47Å; M593-L596 HydrophobicContact SD-CD1 4.27Å |
| 597 | V | 83.4 | Confident | 84.3 | Confident | 9 Ų | 9 | 58 Ų | 58 | 6% | 0.055 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -133.6 | 148.2 | -174.8 | -175.9 | 0 | 0 | 0 | 0 | 110.5 | V524 L525 M593 L601 | V524-V597 HydrophobicContact CG1-CG2 4.47Å; L525-V597 HydrophobicContact CD2-CG2 3.7Å; M593-V597 PolarHBondContact O-N 2.91Å; V597-L601 HydrophobicContact CG1-CB 4.39Å; V597-L601 HydrophobicContact CG1-CD2 3.91Å; V597-L601 HydrophobicContact CG1-CG 4.46Å |
| 598 | S | 84.5 | Confident | 84.5 | Confident | 56 Ų | 56 | 53.5 Ų | 53.5 | 39% | 0.392 | 32% | 0.316 | S | S | . | . | trans | -55.2 | 132.6 | 177.9 | 71.9 | 0 | 0 | 0 | 0 | 112.7 | G600 L601 L602 | S598-G600 PolarHBondContact O-N 3.15Å; S598-G600 VanDerWaalsContact O-N 3.14Å; S598-L601 PolarHBondContact O-N 3.42Å; S598-L601 WeakPolarHBondContact OG-CB 3.18Å; S598-L602 PolarHBondContact O-N 3.43Å | ||
| 599 | P | 82.8 | Confident | 84.9 | Confident | 97 Ų | 97 | 50.1 Ų | 50.1 | 63% | 0.63 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -58.3 | -31.8 | -177.2 | -27.7 | 34 | 0 | 0 | 0 | 114.3 | K603 | P599-K603 WeakPolarHBondContact O-CB 3.39Å; P599-K603 PolarHBondContact O-N 3.18Å; P599-K603 VanDerWaalsContact O-N 3.08Å |
| 600 | G | 82.5 | Confident | 85.1 | Confident | 54 Ų | 54 | 52.5 Ų | 52.5 | 56% | 0.557 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -66.2 | -45.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S598 K603 K604 | S598-G600 PolarHBondContact O-N 3.15Å; S598-G600 VanDerWaalsContact O-N 3.14Å; G600-K603 PolarHBondContact O-N 3.27Å; G600-K604 PolarHBondContact O-N 3.44Å; G600-K604 VanDerWaalsContact O-N 3.15Å |
| 601 | L | 82.8 | Confident | 85.3 | Confident | 29 Ų | 29 | 54.1 Ų | 54.1 | 15% | 0.152 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.5 | -43.8 | 178.2 | -177 | 63.4 | 0 | 0 | 0 | 111.1 | E527 V597 S598 K603 K604 K605 | E527-L601 HydrophobicContact CB-CD2 4.47Å; E527-L601 HydrophobicContact CG-CD2 4.35Å; V597-L601 HydrophobicContact CG1-CB 4.39Å; V597-L601 HydrophobicContact CG1-CD2 3.91Å; V597-L601 HydrophobicContact CG1-CG 4.46Å; S598-L601 PolarHBondContact O-N 3.42Å; S598-L601 WeakPolarHBondContact OG-CB 3.18Å; L601-K603 VanDerWaalsContact C-N 3.32Å; L601-K603 PolarHBondContact O-N 3.3Å; L601-K604 WeakPolarHBondContact O-CB 3.44Å; L601-K604 PolarHBondContact O-N 3.22Å; L601-K604 VanDerWaalsContact O-N 3.14Å; L601-K605 HydrophobicContact CG-CD 4.27Å; L601-K605 WeakPolarHBondContact O-CG 3.25Å; L601-K605 PolarHBondContact O-N 3.08Å |
| 602 | L | 85.7 | Confident | 85.5 | Confident | 9 Ų | 9 | 52.7 Ų | 52.7 | 5% | 0.047 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.7 | -41.6 | 177.8 | -169.2 | 111.4 | 0 | 0 | 0 | 111.8 | L585 M593 S598 K605 R606 | L585-L602 HydrophobicContact CD2-CD1 4.48Å; M593-L602 HydrophobicContact CB-CD1 3.59Å; S598-L602 PolarHBondContact O-N 3.43Å; L602-K605 PolarHBondContact O-N 3.49Å; L602-R606 WeakPolarHBondContact O-CB 3.2Å; L602-R606 WeakPolarHBondContact O-CG 3.21Å; L602-R606 PolarHBondContact O-N 2.92Å |
| 603 | K | 87.2 | Confident | 85.6 | Confident | 162 Ų | 162 | 52.3 Ų | 52.3 | 70% | 0.704 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.3 | -41 | 175.3 | -170.3 | 178.6 | 179.9 | -178.4 | 0 | 112 | P599 G600 L601 A607 | P599-K603 WeakPolarHBondContact O-CB 3.39Å; P599-K603 PolarHBondContact O-N 3.18Å; P599-K603 VanDerWaalsContact O-N 3.08Å; G600-K603 PolarHBondContact O-N 3.27Å; L601-K603 VanDerWaalsContact C-N 3.32Å; L601-K603 PolarHBondContact O-N 3.3Å; K603-A607 WeakPolarHBondContact O-CB 3.35Å; K603-A607 PolarHBondContact O-N 2.89Å |
| 604 | K | 86.4 | Confident | 85.5 | Confident | 126 Ų | 126 | 53.5 Ų | 53.5 | 55% | 0.548 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.6 | -48.9 | 176.4 | -171.9 | -178.2 | 179 | -175.9 | 0 | 111.4 | G600 L601 R606 A607 L608 | G600-K604 PolarHBondContact O-N 3.44Å; G600-K604 VanDerWaalsContact O-N 3.15Å; L601-K604 WeakPolarHBondContact O-CB 3.44Å; L601-K604 PolarHBondContact O-N 3.22Å; L601-K604 VanDerWaalsContact O-N 3.14Å; K604-R606 PolarHBondContact O-N 3.5Å; K604-A607 PolarHBondContact O-N 3.22Å; K604-L608 HydrophobicContact CG-CD1 4.43Å; K604-L608 WeakPolarHBondContact O-CG 3.49Å; K604-L608 PolarHBondContact O-N 2.88Å |
| 605 | K | 87.6 | Confident | 85.7 | Confident | 9 Ų | 9 | 54.9 Ų | 54.9 | 4% | 0.039 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59 | -44.8 | 177.6 | -70.4 | -177.7 | 175.6 | -173.3 | 0 | 111.7 | L523 V524 D526 I534 L585 L601 L602 A607 L608 L609 | L523-K605 PolarHBondContact O-NZ 3Å; V524-K605 PolarHBondContact O-NZ 3.31Å; D526-K605 PolarHBondContact O-NZ 3.45Å; I534-K605 HydrophobicContact CD1-CB 3.78Å; I534-K605 HydrophobicContact CD1-CD 3.61Å; I534-K605 HydrophobicContact CD1-CG 3.62Å; L585-K605 HydrophobicContact CD1-CB 4.22Å; L585-K605 HydrophobicContact CD2-CB 4.15Å; L601-K605 HydrophobicContact CG-CD 4.27Å; L601-K605 WeakPolarHBondContact O-CG 3.25Å; L601-K605 PolarHBondContact O-N 3.08Å; L602-K605 PolarHBondContact O-N 3.49Å; K605-A607 PolarHBondContact O-N 3.42Å; K605-L608 PolarHBondContact O-N 3.24Å; K605-L609 PolarHBondContact O-N 3.42Å |
| 606 | R | 89.1 | Confident | 85.6 | Confident | 63 Ų | 63 | 49.9 Ų | 49.9 | 24% | 0.238 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.6 | -42 | 174.9 | -78.6 | 177.6 | 171.7 | 157.3 | 7 | 113.8 | L585 S586 L602 K604 L608 K610 | L585-R606 HydrophobicContact CB-CG 4.16Å; L585-R606 HydrophobicContact CD2-CG 4.44Å; L585-R606 WeakPolarHBondContact O-CG 3.45Å; L585-R606 PolarHBondContact O-NE 3.11Å; S586-R606 PolarHBondContact O-NH2 3.32Å; L602-R606 WeakPolarHBondContact O-CB 3.2Å; L602-R606 WeakPolarHBondContact O-CG 3.21Å; L602-R606 PolarHBondContact O-N 2.92Å; K604-R606 PolarHBondContact O-N 3.5Å; R606-L608 VanDerWaalsContact C-N 3.34Å; R606-K610 VanDerWaalsContact O-CB 3.27Å; R606-K610 WeakPolarHBondContact O-CB 3.5Å; R606-K610 PolarHBondContact O-N 2.9Å |
| 607 | A | 88.2 | Confident | 85.5 | Confident | 60 Ų | 60 | 48.8 Ų | 48.8 | 50% | 0.496 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.7 | -41.3 | -180 | 0 | 0 | 0 | 0 | 0 | 111.6 | K603 K604 K605 K610 A611 | K603-A607 WeakPolarHBondContact O-CB 3.35Å; K603-A607 PolarHBondContact O-N 2.89Å; K604-A607 PolarHBondContact O-N 3.22Å; K605-A607 PolarHBondContact O-N 3.42Å; A607-K610 PolarHBondContact O-N 3.01Å; A607-A611 PolarHBondContact O-N 3.38Å |
| 608 | L | 87.5 | Confident | 85.5 | Confident | 52 Ų | 52 | 53.2 Ų | 53.2 | 27% | 0.272 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.6 | -49.1 | 176.4 | -69.2 | 165.1 | 0 | 0 | 0 | 111.9 | G531 K604 K605 R606 K610 A611 Y612 | G531-L608 WeakPolarHBondContact O-CD1 3.49Å; K604-L608 HydrophobicContact CG-CD1 4.43Å; K604-L608 WeakPolarHBondContact O-CG 3.49Å; K604-L608 PolarHBondContact O-N 2.88Å; K605-L608 PolarHBondContact O-N 3.24Å; R606-L608 VanDerWaalsContact C-N 3.34Å; L608-K610 VanDerWaalsContact C-N 3.32Å; L608-K610 PolarHBondContact O-N 3.28Å; L608-A611 PolarHBondContact O-N 3.28Å; L608-Y612 PolarHBondContact O-N 3.05Å |
| 609 | L | 88.6 | Confident | 85.3 | Confident | 7 Ų | 7 | 55 Ų | 55 | 4% | 0.037 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.2 | -43.6 | 176.8 | -178.1 | 68.8 | 0 | 0 | 0 | 111.6 | L535 F538 L585 K605 A611 Y612 L613 T651 | L535-L609 HydrophobicContact CD2-CD1 4.36Å; F538-L609 HydrophobicContact CE2-CD1 3.79Å; F538-L609 HydrophobicContact CZ-CD1 3.9Å; L585-L609 HydrophobicContact CB-CD2 4.15Å; L585-L609 HydrophobicContact CD1-CD2 4.07Å; K605-L609 PolarHBondContact O-N 3.42Å; L609-A611 PolarHBondContact O-N 2.56Å; L609-Y612 PolarHBondContact O-N 2.82Å; L609-L613 HydrophobicContact CD1-CD1 3.93Å; L609-L613 HydrophobicContact CD1-CG 4.04Å; L609-L613 HydrophobicContact CD2-CD1 4.34Å; L609-L613 HydrophobicContact CG-CD1 3.87Å; L609-L613 HydrophobicContact CG-CG 4.3Å; L609-L613 WeakPolarHBondContact O-CG 3.33Å; L609-L613 PolarHBondContact O-N 2.76Å; L609-T651 HydrophobicContact CD2-CG2 4.28Å |
| 610 | K | 88.3 | Confident | 85.1 | Confident | 84 Ų | 84 | 52 Ų | 52 | 37% | 0.365 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59 | -46.2 | 176.4 | 178.4 | 173.4 | -177.4 | -179 | 0 | 111.5 | R606 A607 L608 S614 I656 M659 | R606-K610 VanDerWaalsContact O-CB 3.27Å; R606-K610 WeakPolarHBondContact O-CB 3.5Å; R606-K610 PolarHBondContact O-N 2.9Å; A607-K610 PolarHBondContact O-N 3.01Å; L608-K610 VanDerWaalsContact C-N 3.32Å; L608-K610 PolarHBondContact O-N 3.28Å; K610-S614 VanDerWaalsContact O-CB 3.29Å; K610-S614 WeakPolarHBondContact O-CB 3.37Å; K610-S614 PolarHBondContact O-N 3.24Å; K610-S614 PolarHBondContact O-OG 2.89Å; K610-I656 HydrophobicContact CB-CD1 4.12Å; K610-I656 HydrophobicContact CD-CG1 4.48Å; K610-I656 HydrophobicContact CG-CD1 4.04Å; K610-I656 HydrophobicContact CG-CG1 3.91Å; K610-M659 HydrophobicContact CD-CE 4.48Å; K610-M659 VanDerWaalsContact CE-CE 3.4Å; K610-M659 HydrophobicContact CG-CE 4.24Å |
| 611 | A | 86.9 | Confident | 84.9 | Confident | 65 Ų | 65 | 50.1 Ų | 50.1 | 54% | 0.537 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A607 L608 L609 S615 | A607-A611 PolarHBondContact O-N 3.38Å; L608-A611 PolarHBondContact O-N 3.28Å; L609-A611 PolarHBondContact O-N 2.56Å; A611-S615 PolarHBondContact O-OG 3.04Å |
| 612 | Y | 87.4 | Confident | 84.6 | Confident | 50 Ų | 50 | 54.7 Ų | 54.7 | 20% | 0.196 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.2 | -65.1 | 175.7 | -178.1 | -97.7 | 0 | 0 | 0 | 111.2 | L535 F538 S542 L608 L609 S614 S615 S616 | L535-Y612 HydrophobicContact CD1-CD2 4.14Å; L535-Y612 HydrophobicContact CD1-CG 4.15Å; L535-Y612 HydrophobicContact CD2-CD1 4.47Å; L535-Y612 HydrophobicContact CD2-CG 4.25Å; F538-Y612 HydrophobicContact CB-CE1 3.8Å; F538-Y612 HydrophobicContact CB-CE2 4.33Å; F538-Y612 HydrophobicContact CD1-CD1 4.04Å; F538-Y612 AromaticContact CD1-CE1 3.27Å; F538-Y612 HydrophobicContact CD1-CE1 3.27Å; F538-Y612 AromaticContact CD1-CZ 3.93Å; F538-Y612 HydrophobicContact CD2-CE1 4.4Å; F538-Y612 HydrophobicContact CE1-CD1 4.3Å; F538-Y612 AromaticContact CE1-CE1 3.84Å; F538-Y612 HydrophobicContact CE1-CE1 3.84Å; F538-Y612 HydrophobicContact CG-CD1 4.16Å; F538-Y612 AromaticContact CG-CE1 3.58Å; F538-Y612 HydrophobicContact CG-CE1 3.58Å; S542-Y612 PolarHBondContact OG-OH 2.82Å; L608-Y612 PolarHBondContact O-N 3.05Å; L609-Y612 PolarHBondContact O-N 2.82Å; Y612-S614 PolarHBondContact O-N 2.98Å; Y612-S614 VanDerWaalsContact O-N 3.09Å; Y612-S615 PolarHBondContact O-N 3.33Å; Y612-S615 PolarHBondContact O-OG 3.08Å; Y612-S616 VanDerWaalsContact C-OG 3.3Å; Y612-S616 VanDerWaalsContact CD1-OG 3.26Å; Y612-S616 WeakPolarHBondContact CD1-OG 3.47Å; Y612-S616 WeakPolarHBondContact CE1-OG 3.43Å; Y612-S616 PolarHBondContact O-N 3.06Å; Y612-S616 PolarHBondContact O-OG 2.93Å |
| 613 | L | 86.7 | Confident | 83.9 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.1 | -32.9 | -172.9 | -68.8 | 177.6 | 0 | 0 | 0 | 113.9 | F538 L609 S615 I644 C647 I648 T651 I656 | F538-L613 HydrophobicContact CE1-CD2 4.11Å; F538-L613 HydrophobicContact CZ-CD2 4.32Å; L609-L613 HydrophobicContact CD1-CD1 3.93Å; L609-L613 HydrophobicContact CD1-CG 4.04Å; L609-L613 HydrophobicContact CD2-CD1 4.34Å; L609-L613 HydrophobicContact CG-CD1 3.87Å; L609-L613 HydrophobicContact CG-CG 4.3Å; L609-L613 WeakPolarHBondContact O-CG 3.33Å; L609-L613 PolarHBondContact O-N 2.76Å; L613-S615 VanDerWaalsContact C-N 3.26Å; L613-S615 PolarHBondContact O-N 3.12Å; L613-I644 HydrophobicContact CD2-CG2 4.39Å; L613-C647 HydrophobicContact CD2-CB 4.04Å; L613-I648 HydrophobicContact CB-CG1 4.17Å; L613-I648 HydrophobicContact CD1-CG1 4.29Å; L613-I648 HydrophobicContact CD2-CG1 4.39Å; L613-T651 HydrophobicContact CD1-CG2 3.73Å; L613-I656 HydrophobicContact CB-CG2 4.12Å |
| 614 | S | 84.4 | Confident | 83.4 | Confident | 25 Ų | 25 | 49.8 Ų | 49.8 | 18% | 0.175 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.8 | -25.8 | 178.9 | -54 | 0 | 0 | 0 | 0 | 112.9 | K610 Y612 M659 | K610-S614 VanDerWaalsContact O-CB 3.29Å; K610-S614 WeakPolarHBondContact O-CB 3.37Å; K610-S614 PolarHBondContact O-N 3.24Å; K610-S614 PolarHBondContact O-OG 2.89Å; Y612-S614 PolarHBondContact O-N 2.98Å; Y612-S614 VanDerWaalsContact O-N 3.09Å; S614-M659 WeakPolarHBondContact OG-CE 3.5Å |
| 615 | S | 83.5 | Confident | 82.5 | Confident | 57 Ų | 57 | 48.1 Ų | 48.1 | 40% | 0.399 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -101.4 | -24.1 | 179.2 | 63.3 | 0 | 0 | 0 | 0 | 113.2 | A611 Y612 L613 I617 K618 V619 | A611-S615 PolarHBondContact O-OG 3.04Å; Y612-S615 PolarHBondContact O-N 3.33Å; Y612-S615 PolarHBondContact O-OG 3.08Å; L613-S615 VanDerWaalsContact C-N 3.26Å; L613-S615 PolarHBondContact O-N 3.12Å; S615-I617 PolarHBondContact O-N 3Å; S615-K618 PolarHBondContact O-N 3.04Å; S615-K618 VanDerWaalsContact O-N 3.15Å; S615-V619 WeakPolarHBondContact O-CG2 3.26Å; S615-V619 PolarHBondContact O-N 3.28Å |
| 616 | S | 82.1 | Confident | 81.5 | Confident | 10 Ų | 10 | 50.5 Ų | 50.5 | 7% | 0.07 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.5 | -44.8 | -174 | -53.3 | 0 | 0 | 0 | 0 | 113.7 | Y612 V619 H620 | Y612-S616 VanDerWaalsContact C-OG 3.3Å; Y612-S616 VanDerWaalsContact CD1-OG 3.26Å; Y612-S616 WeakPolarHBondContact CD1-OG 3.47Å; Y612-S616 WeakPolarHBondContact CE1-OG 3.43Å; Y612-S616 PolarHBondContact O-N 3.06Å; Y612-S616 PolarHBondContact O-OG 2.93Å; S616-V619 PolarHBondContact O-N 2.93Å; S616-H620 VanDerWaalsContact O-CB 3.23Å; S616-H620 WeakPolarHBondContact O-CB 3.43Å; S616-H620 PolarHBondContact O-N 2.95Å |
| 617 | I | 80.8 | Confident | 80.5 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.9 | -39.5 | -179.5 | -64.8 | -152.5 | 0 | 0 | 0 | 111.5 | S615 H620 L621 F641 I644 L645 I648 T660 I664 | S615-I617 PolarHBondContact O-N 3Å; I617-H620 PolarHBondContact O-N 2.82Å; I617-L621 HydrophobicContact CG2-CD1 3.73Å; I617-L621 HydrophobicContact CG2-CG 4.1Å; I617-L621 WeakPolarHBondContact O-CB 3.32Å; I617-L621 VanDerWaalsContact O-CG 3.26Å; I617-L621 WeakPolarHBondContact O-CG 3.31Å; I617-L621 PolarHBondContact O-N 3.09Å; I617-F641 HydrophobicContact CD1-CD2 4.19Å; I617-F641 HydrophobicContact CD1-CE2 3.92Å; I617-F641 HydrophobicContact CG2-CD2 4.2Å; I617-F641 HydrophobicContact CG2-CE2 3.71Å; I617-I644 HydrophobicContact CD1-CB 4.44Å; I617-I644 HydrophobicContact CD1-CG2 3.94Å; I617-I644 HydrophobicContact CG1-CB 4.26Å; I617-I644 HydrophobicContact CG1-CG2 3.53Å; I617-L645 HydrophobicContact CD1-CD2 3.47Å; I617-L645 VanDerWaalsContact CD1-CD2 3.47Å; I617-L645 HydrophobicContact CD1-CG 4.07Å; I617-I648 HydrophobicContact CD1-CD1 4.12Å; I617-I648 HydrophobicContact CG1-CD1 4.44Å; I617-T660 HydrophobicContact CB-CG2 3.87Å; I617-T660 HydrophobicContact CD1-CG2 3.3Å; I617-T660 HydrophobicContact CG1-CG2 3.63Å; I617-T660 HydrophobicContact CG2-CG2 4.35Å; I617-I664 HydrophobicContact CG2-CG1 3.96Å |
| 618 | K | 82.1 | Confident | 79 | Confident | 102 Ų | 102 | 55.8 Ų | 55.8 | 44% | 0.443 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.6 | -48.9 | 177.4 | -177.4 | -177.4 | 169.1 | -173.3 | 0 | 110.2 | S615 H620 L621 E622 | S615-K618 PolarHBondContact O-N 3.04Å; S615-K618 VanDerWaalsContact O-N 3.15Å; K618-H620 VanDerWaalsContact C-N 3.33Å; K618-H620 PolarHBondContact O-N 2.98Å; K618-L621 PolarHBondContact O-N 3.05Å; K618-E622 WeakPolarHBondContact CE-OE1 3.45Å; K618-E622 IonicContact NZ-OE1 3.84Å; K618-E622 WeakPolarHBondContact O-CB 3.19Å; K618-E622 WeakPolarHBondContact O-CG 3.44Å; K618-E622 PolarHBondContact O-N 3.44Å |
| 619 | V | 80.4 | Confident | 77.2 | Confident | 94 Ų | 94 | 55.1 Ų | 55.1 | 57% | 0.57 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -62.6 | -41.1 | 178 | 173.9 | 0 | 0 | 0 | 0 | 111.4 | S615 S616 E622 G623 | S615-V619 WeakPolarHBondContact O-CG2 3.26Å; S615-V619 PolarHBondContact O-N 3.28Å; S616-V619 PolarHBondContact O-N 2.93Å; V619-E622 PolarHBondContact O-N 2.82Å; V619-G623 PolarHBondContact O-N 2.99Å; V619-G623 VanDerWaalsContact O-N 3.1Å |
| 620 | H | 79.8 | Confident | 75.6 | Confident | 34 Ų | 34 | 62.1 Ų | 62.1 | 16% | 0.157 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.6 | -45.7 | 177.1 | -173.7 | 75.6 | 0 | 0 | 0 | 111.7 | S616 I617 K618 G623 L624 H640 I644 | S616-H620 VanDerWaalsContact O-CB 3.23Å; S616-H620 WeakPolarHBondContact O-CB 3.43Å; S616-H620 PolarHBondContact O-N 2.95Å; I617-H620 PolarHBondContact O-N 2.82Å; K618-H620 VanDerWaalsContact C-N 3.33Å; K618-H620 PolarHBondContact O-N 2.98Å; H620-G623 PolarHBondContact O-N 2.86Å; H620-L624 WeakPolarHBondContact O-CG 2.91Å; H620-H640 AromaticContact ND1-CD2 3.85Å; H620-I644 HydrophobicContact CB-CD1 4.42Å |
| 621 | L | 77.7 | Confident | 74.1 | Confident | 13 Ų | 13 | 61.9 Ų | 61.9 | 7% | 0.068 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -70.1 | -35.6 | 179.4 | -68.1 | 175.6 | 0 | 0 | 0 | 112.9 | I617 K618 G623 L624 V635 V637 F641 I664 | I617-L621 HydrophobicContact CG2-CD1 3.73Å; I617-L621 HydrophobicContact CG2-CG 4.1Å; I617-L621 WeakPolarHBondContact O-CB 3.32Å; I617-L621 VanDerWaalsContact O-CG 3.26Å; I617-L621 WeakPolarHBondContact O-CG 3.31Å; I617-L621 PolarHBondContact O-N 3.09Å; K618-L621 PolarHBondContact O-N 3.05Å; L621-G623 PolarHBondContact O-N 2.66Å; L621-L624 HydrophobicContact CD2-CD1 4.36Å; L621-L624 PolarHBondContact O-N 2.75Å; L621-V635 HydrophobicContact CD2-CG1 3.99Å; L621-V637 HydrophobicContact CD2-CG2 3.99Å; L621-F641 HydrophobicContact CD2-CD2 4.49Å; L621-F641 HydrophobicContact CD2-CE2 4.34Å; L621-I664 HydrophobicContact CD1-CB 4.36Å; L621-I664 HydrophobicContact CD1-CG1 4.22Å; L621-I664 HydrophobicContact CD1-CG2 4.3Å |
| 622 | E | 76.6 | Confident | 73.1 | Confident | 126 Ų | 126 | 63 Ų | 63 | 59% | 0.589 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -66.3 | -28.5 | 174.5 | -76.1 | 174.2 | 172.3 | 0 | 0 | 112.2 | K618 V619 L624 | K618-E622 WeakPolarHBondContact CE-OE1 3.45Å; K618-E622 IonicContact NZ-OE1 3.84Å; K618-E622 WeakPolarHBondContact O-CB 3.19Å; K618-E622 WeakPolarHBondContact O-CG 3.44Å; K618-E622 PolarHBondContact O-N 3.44Å; V619-E622 PolarHBondContact O-N 2.82Å; E622-L624 VanDerWaalsContact C-N 3.33Å; E622-L624 PolarHBondContact O-N 2.58Å |
| 623 | G | 69.9 | Low | 72.4 | Confident | 39 Ų | 39 | 65.9 Ų | 65.9 | 40% | 0.402 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -3.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | R544 V619 H620 L621 | R544-G623 PolarHBondContact NH2-O 3.46Å; V619-G623 PolarHBondContact O-N 2.99Å; V619-G623 VanDerWaalsContact O-N 3.1Å; H620-G623 PolarHBondContact O-N 2.86Å; L621-G623 PolarHBondContact O-N 2.66Å |
| 624 | L | 76.9 | Confident | 72.2 | Confident | 28 Ų | 28 | 69.4 Ų | 69.4 | 15% | 0.147 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -101.9 | 147.9 | -175.4 | -71.3 | 169.1 | 0 | 0 | 0 | 112.7 | H620 L621 E622 C626 V635 L638 | H620-L624 WeakPolarHBondContact O-CG 2.91Å; L621-L624 HydrophobicContact CD2-CD1 4.36Å; L621-L624 PolarHBondContact O-N 2.75Å; E622-L624 VanDerWaalsContact C-N 3.33Å; E622-L624 PolarHBondContact O-N 2.58Å; L624-C626 PolarHBondContact O-N 2.82Å; L624-C626 VanDerWaalsContact O-N 3.16Å; L624-V635 HydrophobicContact CB-CG1 3.92Å; L624-V635 HydrophobicContact CD1-CG1 3.75Å; L624-L638 HydrophobicContact CD2-CD1 4Å; L624-L638 HydrophobicContact CD2-CG 4.12Å |
| 625 | P | 68.7 | Low | 72.2 | Confident | 92 Ų | 92 | 68.6 Ų | 68.6 | 60% | 0.597 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 116.5 | 176.3 | 24.2 | -31 | 0 | 0 | 0 | 111 | ||
| 626 | C | 64.9 | Low | 72.1 | Confident | 59 Ų | 59 | 70 Ų | 70 | 40% | 0.399 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 122.3 | 179.5 | -175.7 | 0 | 0 | 0 | 0 | 110.3 | L624 | L624-C626 PolarHBondContact O-N 2.82Å; L624-C626 VanDerWaalsContact O-N 3.16Å |
| 627 | H | 68.6 | Low | 72 | Confident | 125 Ų | 125 | 69.5 Ų | 69.5 | 58% | 0.579 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96 | 119.6 | 173.4 | -64.1 | 71.8 | 0 | 0 | 0 | 108.3 | K634 | H627-K634 PolarHBondContact N-O 2.83Å; H627-K634 PolarHBondContact O-N 3.36Å |
| 628 | T | 57.4 | Low | 71.6 | Confident | 108 Ų | 108 | 73.6 Ų | 73.6 | 66% | 0.663 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 102.4 | 172.3 | 50.3 | 0 | 0 | 0 | 0 | 108 | K633 | T628-K633 HydrophobicContact CG2-CG 4.32Å |
| 629 | A | 49.4 | Very low | 71.1 | Confident | 38 Ų | 38 | 71.9 Ų | 71.9 | 31% | 0.314 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 129.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | G631 L632 | A629-G631 VanDerWaalsContact C-N 3.3Å; A629-G631 PolarHBondContact O-N 2.89Å; A629-L632 PolarHBondContact O-N 3.27Å |
| 630 | D | 55.4 | Low | 71 | Confident | 155 Ų | 155 | 69.1 Ų | 69.1 | 83% | 0.829 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 31.2 | 179.6 | -49.2 | -36.4 | 0 | 0 | 0 | 115.4 | L632 | D630-L632 PolarHBondContact O-N 2.92Š|
| 631 | G | 57.4 | Low | 71.2 | Confident | 79 Ų | 79 | 67.7 Ų | 67.7 | 81% | 0.814 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | 2.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | A629 | A629-G631 VanDerWaalsContact C-N 3.3Å; A629-G631 PolarHBondContact O-N 2.89Å |
| 632 | L | 64 | Low | 71.5 | Confident | 87 Ų | 87 | 67.1 Ų | 67.1 | 46% | 0.455 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 128.8 | 176.3 | -67.3 | 170.3 | 0 | 0 | 0 | 110.4 | A629 D630 K634 S667 | A629-L632 PolarHBondContact O-N 3.27Å; D630-L632 PolarHBondContact O-N 2.92Å; L632-K634 PolarHBondContact O-N 3.12Å; L632-S667 WeakPolarHBondContact CA-OG 2.99Å; L632-S667 WeakPolarHBondContact CB-OG 3Å; L632-S667 WeakPolarHBondContact CD2-OG 3.3Å |
| 633 | K | 74.2 | Confident | 71.9 | Confident | 112 Ų | 112 | 62.2 Ų | 62.2 | 49% | 0.487 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 105.2 | 172 | -77.9 | -170.8 | 173.8 | -177.2 | 0 | 109.5 | T628 S667 F668 | T628-K633 HydrophobicContact CG2-CG 4.32Å; K633-S667 PolarHBondContact N-OG 3.36Å; K633-S667 PolarHBondContact O-N 3.38Å; K633-S667 VanDerWaalsContact O-N 3.08Å; K633-S667 PolarHBondContact O-OG 2.97Å; K633-F668 PolarHBondContact O-N 2.94Å |
| 634 | K | 81.5 | Confident | 72.7 | Confident | 73 Ų | 73 | 60.6 Ų | 60.6 | 32% | 0.317 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 127.2 | 174.8 | -56.8 | -177.7 | 178.7 | 172.5 | 0 | 109.5 | H627 L632 F668 | H627-K634 PolarHBondContact N-O 2.83Å; H627-K634 PolarHBondContact O-N 3.36Å; L632-K634 PolarHBondContact O-N 3.12Å; K634-F668 HydrophobicContact CB-CB 4.29Å; K634-F668 HydrophobicContact CB-CD1 4.12Å; K634-F668 HydrophobicContact CD-CD1 4.48Å; K634-F668 HydrophobicContact CG-CB 3.86Å; K634-F668 HydrophobicContact CG-CD1 4.1Å; K634-F668 HydrophobicContact CG-CG 4.11Å |
| 635 | V | 83.9 | Confident | 73.3 | Confident | 9 Ų | 9 | 59.5 Ų | 59.5 | 6% | 0.055 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 127.6 | 177.9 | -177 | 0 | 0 | 0 | 0 | 109.3 | L621 L624 V637 A666 F668 K670 | L621-V635 HydrophobicContact CD2-CG1 3.99Å; L624-V635 HydrophobicContact CB-CG1 3.92Å; L624-V635 HydrophobicContact CD1-CG1 3.75Å; V635-V637 HydrophobicContact CB-CG2 4.5Å; V635-V637 HydrophobicContact CG1-CG2 3.98Å; V635-A666 HydrophobicContact CB-CB 4.28Å; V635-A666 HydrophobicContact CG2-CB 3.75Å; V635-F668 PolarHBondContact N-O 3.26Å; V635-K670 PolarHBondContact O-N 2.68Å |
| 636 | H | 82.1 | Confident | 74.2 | Confident | 86 Ų | 86 | 57.3 Ų | 57.3 | 40% | 0.398 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 121.8 | 166.8 | -174.4 | -122.3 | 0 | 0 | 0 | 108.5 | ||
| 637 | V | 79.9 | Confident | 75.4 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | trans | -104.8 | 139.8 | -168.7 | 178.2 | 0 | 0 | 0 | 0 | 109.5 | L621 V635 F641 I669 K670 L671 C674 | L621-V637 HydrophobicContact CD2-CG2 3.99Å; V635-V637 HydrophobicContact CB-CG2 4.5Å; V635-V637 HydrophobicContact CG1-CG2 3.98Å; V637-F641 HydrophobicContact CG1-CB 3.02Å; V637-F641 HydrophobicContact CG1-CD1 3.45Å; V637-F641 VanDerWaalsContact CG1-CD1 3.45Å; V637-F641 HydrophobicContact CG1-CD2 3.72Å; V637-F641 HydrophobicContact CG1-CE1 4.2Å; V637-F641 HydrophobicContact CG1-CE2 4.44Å; V637-F641 HydrophobicContact CG1-CG 3.15Å; V637-I669 HydrophobicContact CB-CG2 4.49Å; V637-I669 HydrophobicContact CG2-CG2 3.8Å; V637-K670 PolarHBondContact N-O 3.2Å; V637-L671 HydrophobicContact CB-CD2 3.96Å; V637-L671 HydrophobicContact CG1-CD2 3.93Å; V637-C674 PolarHBondContact O-SG 2.87Å | ||
| 638 | L | 72.9 | Confident | 76.4 | Confident | 86 Ų | 86 | 48.7 Ų | 48.7 | 45% | 0.45 | 27% | 0.273 | S | S | . | . | trans | -86 | 159.4 | -179.4 | -64.3 | 174.3 | 0 | 0 | 0 | 111.5 | L624 H640 F641 | L624-L638 HydrophobicContact CD2-CD1 4Å; L624-L638 HydrophobicContact CD2-CG 4.12Å; L638-H640 PolarHBondContact O-N 3.17Å; L638-F641 WeakPolarHBondContact O-CB 3.42Å; L638-F641 PolarHBondContact O-N 3.39Å | ||
| 639 | P | 72.3 | Confident | 78 | Confident | 67 Ų | 67 | 44.2 Ų | 44.2 | 44% | 0.435 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -52.3 | -27.7 | 179 | -29.2 | 35.5 | 0 | 0 | 0 | 114.8 | F641 L642 W643 | P639-F641 VanDerWaalsContact C-N 3.27Å; P639-F641 PolarHBondContact O-N 2.93Å; P639-L642 WeakPolarHBondContact O-CB 3.18Å; P639-L642 PolarHBondContact O-N 3.01Å; P639-L642 VanDerWaalsContact O-N 3.09Å; P639-W643 PolarHBondContact O-N 3.01Å |
| 640 | H | 77.5 | Confident | 79.9 | Confident | 36 Ų | 36 | 42.9 Ų | 42.9 | 17% | 0.167 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.2 | -34 | 176.2 | -175.2 | 80.6 | 0 | 0 | 0 | 113.7 | H620 L638 L642 W643 I644 | H620-H640 AromaticContact ND1-CD2 3.85Å; L638-H640 PolarHBondContact O-N 3.17Å; H640-L642 VanDerWaalsContact C-N 3.26Å; H640-L642 PolarHBondContact O-N 2.96Å; H640-W643 WeakPolarHBondContact O-CB 3.33Å; H640-W643 PolarHBondContact O-N 3.23Å; H640-I644 PolarHBondContact O-N 2.96Å; H640-I644 VanDerWaalsContact O-N 3.11Å |
| 641 | F | 83.6 | Confident | 81.5 | Confident | 3 Ų | 3 | 35.9 Ų | 35.9 | 1% | 0.013 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60 | -38.9 | 175.1 | 171.7 | -95.6 | 0 | 0 | 0 | 112.2 | I617 L621 V637 L638 P639 W643 I644 L645 L671 | I617-F641 HydrophobicContact CD1-CD2 4.19Å; I617-F641 HydrophobicContact CD1-CE2 3.92Å; I617-F641 HydrophobicContact CG2-CD2 4.2Å; I617-F641 HydrophobicContact CG2-CE2 3.71Å; L621-F641 HydrophobicContact CD2-CD2 4.49Å; L621-F641 HydrophobicContact CD2-CE2 4.34Å; V637-F641 HydrophobicContact CG1-CB 3.02Å; V637-F641 HydrophobicContact CG1-CD1 3.45Å; V637-F641 VanDerWaalsContact CG1-CD1 3.45Å; V637-F641 HydrophobicContact CG1-CD2 3.72Å; V637-F641 HydrophobicContact CG1-CE1 4.2Å; V637-F641 HydrophobicContact CG1-CE2 4.44Å; V637-F641 HydrophobicContact CG1-CG 3.15Å; L638-F641 WeakPolarHBondContact O-CB 3.42Å; L638-F641 PolarHBondContact O-N 3.39Å; P639-F641 VanDerWaalsContact C-N 3.27Å; P639-F641 PolarHBondContact O-N 2.93Å; F641-W643 VanDerWaalsContact C-N 3.31Å; F641-W643 PolarHBondContact O-N 3.43Å; F641-I644 PolarHBondContact O-N 3.42Å; F641-L645 HydrophobicContact CD1-CD1 3.8Å; F641-L645 HydrophobicContact CD1-CG 4.3Å; F641-L645 HydrophobicContact CE1-CD1 3.3Å; F641-L645 HydrophobicContact CE1-CG 4.06Å; F641-L645 HydrophobicContact CZ-CD1 3.86Å; F641-L645 HydrophobicContact CZ-CG 4.34Å; F641-L645 PolarHBondContact O-N 3.3Å; F641-L671 HydrophobicContact CD1-CD2 3.8Å; F641-L671 HydrophobicContact CE1-CD1 4.5Å; F641-L671 HydrophobicContact CE1-CD2 4.03Å |
| 642 | L | 84.8 | Confident | 82.9 | Confident | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.9 | -40.7 | 177.9 | -173.9 | 64 | 0 | 0 | 0 | 110.8 | P639 H640 I644 L645 R646 V676 D680 I684 | P639-L642 WeakPolarHBondContact O-CB 3.18Å; P639-L642 PolarHBondContact O-N 3.01Å; P639-L642 VanDerWaalsContact O-N 3.09Å; H640-L642 VanDerWaalsContact C-N 3.26Å; H640-L642 PolarHBondContact O-N 2.96Å; L642-I644 VanDerWaalsContact C-N 3.33Å; L642-I644 PolarHBondContact O-N 3.5Å; L642-L645 WeakPolarHBondContact O-CB 3.38Å; L642-L645 PolarHBondContact O-N 3.48Å; L642-L645 VanDerWaalsContact O-N 3.15Å; L642-R646 WeakPolarHBondContact O-CG 3.09Å; L642-R646 PolarHBondContact O-N 3.13Å; L642-V676 HydrophobicContact CD2-CG2 4.02Å; L642-D680 HydrophobicContact CD1-CB 4.06Å; L642-D680 HydrophobicContact CD2-CB 4.35Å; L642-I684 HydrophobicContact CD1-CD1 4Å; L642-I684 HydrophobicContact CD1-CG1 4.01Å |
| 643 | W | 83.9 | Confident | 84.1 | Confident | 23 Ų | 23 | 30.9 Ų | 30.9 | 9% | 0.087 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61 | -38 | 174 | -79.4 | 105.1 | 0 | 0 | 0 | 113.6 | Q575 F576 L579 P639 H640 F641 R646 C647 | Q575-W643 HydrophobicContact CB-CD2 3.6Å; Q575-W643 HydrophobicContact CB-CE3 3.61Å; Q575-W643 HydrophobicContact CB-CG 4.15Å; Q575-W643 HydrophobicContact CB-CH2 3.97Å; Q575-W643 HydrophobicContact CB-CZ2 4Å; Q575-W643 HydrophobicContact CB-CZ3 3.8Å; Q575-W643 HydrophobicContact CG-CD2 4.15Å; Q575-W643 HydrophobicContact CG-CG 4.2Å; F576-W643 AromaticContact CD1-CH2 3.91Å; F576-W643 HydrophobicContact CD1-CH2 3.91Å; F576-W643 HydrophobicContact CD1-CZ3 4.14Å; F576-W643 AromaticContact CD2-CH2 3.85Å; F576-W643 HydrophobicContact CD2-CH2 3.85Å; F576-W643 AromaticContact CE1-CH2 3.8Å; F576-W643 HydrophobicContact CE1-CH2 3.8Å; F576-W643 HydrophobicContact CE1-CZ3 4.31Å; F576-W643 AromaticContact CE2-CH2 3.74Å; F576-W643 HydrophobicContact CE2-CH2 3.74Å; F576-W643 HydrophobicContact CE2-CZ2 4.36Å; F576-W643 AromaticContact CG-CH2 3.93Å; F576-W643 HydrophobicContact CG-CH2 3.93Å; F576-W643 HydrophobicContact CG-CZ3 4.31Å; F576-W643 AromaticContact CZ-CH2 3.71Å; F576-W643 HydrophobicContact CZ-CH2 3.71Å; F576-W643 HydrophobicContact CZ-CZ2 4.49Å; L579-W643 HydrophobicContact CB-CZ3 4.4Å; L579-W643 HydrophobicContact CD1-CE3 4.14Å; L579-W643 HydrophobicContact CD1-CZ3 3.7Å; P639-W643 PolarHBondContact O-N 3.01Å; H640-W643 WeakPolarHBondContact O-CB 3.33Å; H640-W643 PolarHBondContact O-N 3.23Å; F641-W643 VanDerWaalsContact C-N 3.31Å; F641-W643 PolarHBondContact O-N 3.43Å; W643-R646 VanDerWaalsContact CZ2-NH1 3.27Å; W643-R646 PolarHBondContact O-N 2.94Å; W643-C647 PolarHBondContact O-N 3.41Å; W643-C647 PolarHBondContact O-SG 2.87Å |
| 644 | I | 87.1 | Confident | 84.9 | Confident | 5 Ų | 5 | 32 Ų | 32 | 3% | 0.026 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.6 | -43.1 | 173.6 | -60.2 | 167.2 | 0 | 0 | 0 | 110.4 | L613 I617 H620 H640 F641 L642 R646 C647 I648 | L613-I644 HydrophobicContact CD2-CG2 4.39Å; I617-I644 HydrophobicContact CD1-CB 4.44Å; I617-I644 HydrophobicContact CD1-CG2 3.94Å; I617-I644 HydrophobicContact CG1-CB 4.26Å; I617-I644 HydrophobicContact CG1-CG2 3.53Å; H620-I644 HydrophobicContact CB-CD1 4.42Å; H640-I644 PolarHBondContact O-N 2.96Å; H640-I644 VanDerWaalsContact O-N 3.11Å; F641-I644 PolarHBondContact O-N 3.42Å; L642-I644 VanDerWaalsContact C-N 3.33Å; L642-I644 PolarHBondContact O-N 3.5Å; I644-R646 PolarHBondContact O-N 2.86Å; I644-C647 PolarHBondContact O-N 3.04Å; I644-I648 HydrophobicContact CG2-CD1 3.91Å; I644-I648 HydrophobicContact CG2-CG1 4.46Å; I644-I648 WeakPolarHBondContact O-CG1 3.35Å; I644-I648 PolarHBondContact O-N 2.97Å |
| 645 | L | 89.5 | Confident | 85.3 | Confident | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62 | -41.9 | 176.5 | -68.2 | 179.5 | 0 | 0 | 0 | 112.1 | I617 F641 L642 C647 I648 F649 I684 V687 | I617-L645 HydrophobicContact CD1-CD2 3.47Å; I617-L645 VanDerWaalsContact CD1-CD2 3.47Å; I617-L645 HydrophobicContact CD1-CG 4.07Å; F641-L645 HydrophobicContact CD1-CD1 3.8Å; F641-L645 HydrophobicContact CD1-CG 4.3Å; F641-L645 HydrophobicContact CE1-CD1 3.3Å; F641-L645 HydrophobicContact CE1-CG 4.06Å; F641-L645 HydrophobicContact CZ-CD1 3.86Å; F641-L645 HydrophobicContact CZ-CG 4.34Å; F641-L645 PolarHBondContact O-N 3.3Å; L642-L645 WeakPolarHBondContact O-CB 3.38Å; L642-L645 PolarHBondContact O-N 3.48Å; L642-L645 VanDerWaalsContact O-N 3.15Å; L645-C647 PolarHBondContact O-N 3.5Å; L645-I648 PolarHBondContact O-N 3.45Å; L645-F649 WeakPolarHBondContact O-CB 3.5Å; L645-F649 PolarHBondContact O-N 3.31Å; L645-I684 HydrophobicContact CD1-CG1 3.95Å; L645-V687 HydrophobicContact CD2-CB 3.92Å; L645-V687 HydrophobicContact CD2-CG1 4.18Å; L645-V687 HydrophobicContact CD2-CG2 3.61Å |
| 646 | R | 87.9 | Confident | 85.6 | Confident | 47 Ų | 47 | 32 Ų | 32 | 18% | 0.177 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.3 | -47.9 | 173.2 | -69.1 | 171.5 | -179.1 | 170.3 | -0.6 | 111.2 | L579 L642 W643 I644 I648 F649 E650 D680 | L579-R646 HydrophobicContact CD1-CB 3.81Å; L642-R646 WeakPolarHBondContact O-CG 3.09Å; L642-R646 PolarHBondContact O-N 3.13Å; W643-R646 VanDerWaalsContact CZ2-NH1 3.27Å; W643-R646 PolarHBondContact O-N 2.94Å; I644-R646 PolarHBondContact O-N 2.86Å; R646-I648 VanDerWaalsContact C-N 3.34Å; R646-I648 PolarHBondContact O-N 3.39Å; R646-F649 WeakPolarHBondContact O-CB 3.45Å; R646-F649 PolarHBondContact O-N 3.3Å; R646-E650 WeakPolarHBondContact O-CG 3.31Å; R646-E650 PolarHBondContact O-N 2.78Å; R646-D680 IonicContact CZ-OD1 2.82Å; R646-D680 IonicContact CZ-OD2 3.77Å; R646-D680 IonicContact NE-OD1 3.2Å; R646-D680 PolarHBondContact NE-OD1 3Å; R646-D680 IonicContact NH2-OD1 2.74Å; R646-D680 PolarHBondContact NH2-OD1 3.1Å; R646-D680 IonicContact NH2-OD2 3.81Å; R646-D680 PolarHBondContact NH2-OD2 3.47Å |
| 647 | C | 90.3 | Very high | 86 | Confident | 3 Ų | 3 | 27.9 Ų | 27.9 | 2% | 0.02 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.7 | -43 | 176.5 | -65.3 | 0 | 0 | 0 | 0 | 112.1 | S582 L613 W643 I644 L645 F649 E650 T651 | S582-C647 WeakPolarHBondContact CB-O 3.37Å; L613-C647 HydrophobicContact CD2-CB 4.04Å; W643-C647 PolarHBondContact O-N 3.41Å; W643-C647 PolarHBondContact O-SG 2.87Å; I644-C647 PolarHBondContact O-N 3.04Å; L645-C647 PolarHBondContact O-N 3.5Å; C647-F649 VanDerWaalsContact C-N 3.34Å; C647-F649 PolarHBondContact O-N 3.38Å; C647-E650 PolarHBondContact O-N 3.27Å; C647-T651 WeakPolarHBondContact O-CG2 3.3Å; C647-T651 PolarHBondContact O-N 2.83Å |
| 648 | I | 90.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.8 | -41.8 | 178.1 | -68.5 | 166.2 | 0 | 0 | 0 | 111 | L613 I617 I644 L645 R646 T651 I656 A657 T660 F686 V687 | L613-I648 HydrophobicContact CB-CG1 4.17Å; L613-I648 HydrophobicContact CD1-CG1 4.29Å; L613-I648 HydrophobicContact CD2-CG1 4.39Å; I617-I648 HydrophobicContact CD1-CD1 4.12Å; I617-I648 HydrophobicContact CG1-CD1 4.44Å; I644-I648 HydrophobicContact CG2-CD1 3.91Å; I644-I648 HydrophobicContact CG2-CG1 4.46Å; I644-I648 WeakPolarHBondContact O-CG1 3.35Å; I644-I648 PolarHBondContact O-N 2.97Å; L645-I648 PolarHBondContact O-N 3.45Å; R646-I648 VanDerWaalsContact C-N 3.34Å; R646-I648 PolarHBondContact O-N 3.39Å; I648-T651 PolarHBondContact O-N 3.14Å; I648-T651 PolarHBondContact O-OG1 3.07Å; I648-I656 HydrophobicContact CD1-CG2 4.5Å; I648-I656 HydrophobicContact CG1-CG2 4.01Å; I648-I656 HydrophobicContact CG2-CG2 3.93Å; I648-A657 HydrophobicContact CG2-CB 4.36Å; I648-T660 HydrophobicContact CD1-CG2 3.55Å; I648-T660 WeakPolarHBondContact CD1-OG1 3.32Å; I648-F686 HydrophobicContact CG2-CD1 4.2Å; I648-F686 HydrophobicContact CG2-CE1 4.1Å; I648-V687 HydrophobicContact CG2-CG2 3.9Å |
| 649 | F | 89.9 | Confident | 87.3 | Confident | 14 Ų | 14 | 32.2 Ų | 32.2 | 6% | 0.061 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60 | -47.1 | 175.4 | 174.7 | -106.5 | 0 | 0 | 0 | 111.7 | H376 T412 L645 R646 C647 T651 G652 T682 A683 F686 | H376-F649 AromaticContact CE1-CE1 3.54Å; H376-F649 AromaticContact CE1-CZ 3.8Å; H376-F649 AromaticContact NE2-CE1 3.44Å; H376-F649 WeakPolarHBondContact NE2-CE1 3.34Å; H376-F649 AromaticContact NE2-CZ 3.72Å; T412-F649 HydrophobicContact CG2-CE1 4.32Å; L645-F649 WeakPolarHBondContact O-CB 3.5Å; L645-F649 PolarHBondContact O-N 3.31Å; R646-F649 WeakPolarHBondContact O-CB 3.45Å; R646-F649 PolarHBondContact O-N 3.3Å; C647-F649 VanDerWaalsContact C-N 3.34Å; C647-F649 PolarHBondContact O-N 3.38Å; F649-T651 PolarHBondContact O-N 2.76Å; F649-G652 PolarHBondContact O-N 2.91Å; F649-T682 HydrophobicContact CD2-CG2 4.4Å; F649-T682 HydrophobicContact CE2-CG2 3.57Å; F649-T682 HydrophobicContact CZ-CG2 3.69Å; F649-A683 HydrophobicContact CB-CB 3.66Å; F649-A683 HydrophobicContact CD1-CB 4.44Å; F649-A683 HydrophobicContact CG-CB 4.01Å; F649-F686 HydrophobicContact CB-CD1 4.38Å; F649-F686 HydrophobicContact CD2-CB 3.88Å; F649-F686 HydrophobicContact CD2-CD1 4.33Å; F649-F686 HydrophobicContact CD2-CD2 4.25Å; F649-F686 AromaticContact CD2-CG 3.91Å; F649-F686 HydrophobicContact CD2-CG 3.91Å |
| 650 | E | 89.7 | Confident | 88 | Confident | 9 Ų | 9 | 29 Ų | 29 | 4% | 0.042 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.6 | -32.6 | 176 | -72.2 | -70.6 | 152.4 | 0 | 0 | 113.2 | T412 L413 T414 L579 R646 C647 G652 | T412-E650 VanDerWaalsContact CB-CD 3.41Å; T412-E650 VanDerWaalsContact CB-OE1 3.31Å; T412-E650 WeakPolarHBondContact CB-OE1 3.42Å; T412-E650 WeakPolarHBondContact CB-OE2 3.44Å; T412-E650 PolarHBondContact OG1-OE2 3.35Å; L413-E650 WeakPolarHBondContact CB-OE1 3.11Å; L413-E650 PolarHBondContact N-OE1 3.26Å; T414-E650 VanDerWaalsContact CB-OE2 3.25Å; T414-E650 WeakPolarHBondContact CB-OE2 3.22Å; T414-E650 PolarHBondContact N-OE2 3.15Å; T414-E650 PolarHBondContact OG1-OE2 3.21Å; L579-E650 HydrophobicContact CD2-CG 3.53Å; L579-E650 HydrophobicContact CG-CG 3.69Å; R646-E650 WeakPolarHBondContact O-CG 3.31Å; R646-E650 PolarHBondContact O-N 2.78Å; C647-E650 PolarHBondContact O-N 3.27Å; E650-G652 PolarHBondContact O-N 2.95Å |
| 651 | T | 88.7 | Confident | 88.6 | Confident | 8 Ų | 8 | 27.5 Ų | 27.5 | 5% | 0.049 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -21.3 | 176 | 71.3 | 0 | 0 | 0 | 0 | 113.5 | S586 L609 L613 C647 I648 F649 S653 I656 | S586-T651 WeakPolarHBondContact CB-O 3.5Å; L609-T651 HydrophobicContact CD2-CG2 4.28Å; L613-T651 HydrophobicContact CD1-CG2 3.73Å; C647-T651 WeakPolarHBondContact O-CG2 3.3Å; C647-T651 PolarHBondContact O-N 2.83Å; I648-T651 PolarHBondContact O-N 3.14Å; I648-T651 PolarHBondContact O-OG1 3.07Å; F649-T651 PolarHBondContact O-N 2.76Å; T651-S653 PolarHBondContact O-N 3.15Å; T651-S653 WeakPolarHBondContact OG1-CB 3.47Å; T651-S653 PolarHBondContact OG1-N 2.99Å; T651-I656 HydrophobicContact CG2-CD1 4.27Å |
| 652 | G | 86.7 | Confident | 88.8 | Confident | 49 Ų | 49 | 35.8 Ų | 35.8 | 51% | 0.505 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 10.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | F649 E650 K654 | F649-G652 PolarHBondContact O-N 2.91Å; E650-G652 PolarHBondContact O-N 2.95Å; G652-K654 PolarHBondContact O-N 3.06Å |
| 653 | S | 90.1 | Very high | 88.8 | Confident | 13 Ų | 13 | 36.2 Ų | 36.2 | 9% | 0.091 | 18% | 0.182 | C | C | . | . | trans | -90.7 | 103.4 | -169.8 | -175.2 | 0 | 0 | 0 | 0 | 112.4 | T651 D655 I656 A657 | T651-S653 PolarHBondContact O-N 3.15Å; T651-S653 WeakPolarHBondContact OG1-CB 3.47Å; T651-S653 PolarHBondContact OG1-N 2.99Å; S653-D655 PolarHBondContact O-N 3.16Å; S653-D655 VanDerWaalsContact O-N 3.16Å; S653-I656 PolarHBondContact O-N 2.79Å; S653-I656 VanDerWaalsContact O-N 3.08Å; S653-A657 PolarHBondContact O-N 2.81Å | ||
| 654 | K | 90.4 | Very high | 88.9 | Confident | 135 Ų | 135 | 35.4 Ų | 35.4 | 59% | 0.587 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -55.3 | -31.1 | 173 | -66.2 | -177.1 | 180 | 178.6 | 0 | 112.8 | G652 K658 | G652-K654 PolarHBondContact O-N 3.06Å; K654-K658 WeakPolarHBondContact O-CB 3.39Å; K654-K658 VanDerWaalsContact O-CG 3.24Å; K654-K658 WeakPolarHBondContact O-CG 3.44Å; K654-K658 PolarHBondContact O-N 3.41Å |
| 655 | D | 89.8 | Confident | 88.7 | Confident | 73 Ų | 73 | 39.8 Ų | 39.8 | 39% | 0.39 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -67.5 | -43.1 | 178.2 | -62.2 | -32 | 0 | 0 | 0 | 111.5 | S653 K658 M659 | S653-D655 PolarHBondContact O-N 3.16Å; S653-D655 VanDerWaalsContact O-N 3.16Å; D655-K658 PolarHBondContact O-N 3.46Å; D655-M659 WeakPolarHBondContact O-CE 3.33Å; D655-M659 WeakPolarHBondContact O-CG 3.28Å; D655-M659 PolarHBondContact O-N 2.64Å |
| 656 | I | 90.2 | Very high | 88.4 | Confident | 9 Ų | 9 | 39.7 Ų | 39.7 | 5% | 0.046 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.6 | -48.9 | 176 | -63.7 | 175.6 | 0 | 0 | 0 | 108.9 | K610 L613 I648 T651 S653 K658 M659 T660 | K610-I656 HydrophobicContact CB-CD1 4.12Å; K610-I656 HydrophobicContact CD-CG1 4.48Å; K610-I656 HydrophobicContact CG-CD1 4.04Å; K610-I656 HydrophobicContact CG-CG1 3.91Å; L613-I656 HydrophobicContact CB-CG2 4.12Å; I648-I656 HydrophobicContact CD1-CG2 4.5Å; I648-I656 HydrophobicContact CG1-CG2 4.01Å; I648-I656 HydrophobicContact CG2-CG2 3.93Å; T651-I656 HydrophobicContact CG2-CD1 4.27Å; S653-I656 PolarHBondContact O-N 2.79Å; S653-I656 VanDerWaalsContact O-N 3.08Å; I656-K658 VanDerWaalsContact C-N 3.3Å; I656-K658 PolarHBondContact O-N 3.37Å; I656-M659 HydrophobicContact CG1-CE 4.32Å; I656-M659 PolarHBondContact O-N 3.15Å; I656-M659 VanDerWaalsContact O-N 3.08Å; I656-T660 WeakPolarHBondContact O-CB 3.35Å; I656-T660 PolarHBondContact O-N 2.85Å; I656-T660 PolarHBondContact O-OG1 3.18Å |
| 657 | A | 91.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.8 | -43 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I648 S653 T660 A661 F686 V687 | I648-A657 HydrophobicContact CG2-CB 4.36Å; S653-A657 PolarHBondContact O-N 2.81Å; A657-T660 PolarHBondContact O-N 3.31Å; A657-A661 VanDerWaalsContact O-CB 3.26Å; A657-A661 WeakPolarHBondContact O-CB 3.45Å; A657-A661 PolarHBondContact O-N 2.66Å; A657-F686 HydrophobicContact CB-CD1 3.88Å; A657-F686 HydrophobicContact CB-CE1 3.62Å; A657-F686 HydrophobicContact CB-CZ 4.19Å; A657-V687 HydrophobicContact CB-CG2 4.34Å |
| 658 | K | 91.4 | Very high | 88.4 | Confident | 104 Ų | 104 | 40.2 Ų | 40.2 | 45% | 0.452 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.7 | -43.2 | 174.9 | -75.5 | 172.6 | -177.2 | 179.3 | 0 | 113 | K654 D655 I656 K662 H690 | K654-K658 WeakPolarHBondContact O-CB 3.39Å; K654-K658 VanDerWaalsContact O-CG 3.24Å; K654-K658 WeakPolarHBondContact O-CG 3.44Å; K654-K658 PolarHBondContact O-N 3.41Å; D655-K658 PolarHBondContact O-N 3.46Å; I656-K658 VanDerWaalsContact C-N 3.3Å; I656-K658 PolarHBondContact O-N 3.37Å; K658-K662 WeakPolarHBondContact O-CG 3.35Å; K658-K662 PolarHBondContact O-N 3.47Å; K658-H690 HydrophobicContact CG-CB 3.95Å |
| 659 | M | 87.9 | Confident | 88.4 | Confident | 72 Ų | 72 | 40.3 Ų | 40.3 | 36% | 0.355 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.9 | -44.2 | 177.7 | -70.8 | -175.2 | -66.2 | 0 | 0 | 111 | K610 S614 D655 I656 K662 G663 | K610-M659 HydrophobicContact CD-CE 4.48Å; K610-M659 VanDerWaalsContact CE-CE 3.4Å; K610-M659 HydrophobicContact CG-CE 4.24Å; S614-M659 WeakPolarHBondContact OG-CE 3.5Å; D655-M659 WeakPolarHBondContact O-CE 3.33Å; D655-M659 WeakPolarHBondContact O-CG 3.28Å; D655-M659 PolarHBondContact O-N 2.64Å; I656-M659 HydrophobicContact CG1-CE 4.32Å; I656-M659 PolarHBondContact O-N 3.15Å; I656-M659 VanDerWaalsContact O-N 3.08Å; M659-K662 WeakPolarHBondContact O-CB 3.35Å; M659-K662 PolarHBondContact O-N 2.9Å; M659-G663 PolarHBondContact O-N 3.1Å; M659-G663 VanDerWaalsContact O-N 3.14Å |
| 660 | T | 87.9 | Confident | 88.4 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.3 | -45 | 175.9 | -59.1 | 0 | 0 | 0 | 0 | 111.6 | I617 I648 I656 A657 K662 G663 I664 V687 | I617-T660 HydrophobicContact CB-CG2 3.87Å; I617-T660 HydrophobicContact CD1-CG2 3.3Å; I617-T660 HydrophobicContact CG1-CG2 3.63Å; I617-T660 HydrophobicContact CG2-CG2 4.35Å; I648-T660 HydrophobicContact CD1-CG2 3.55Å; I648-T660 WeakPolarHBondContact CD1-OG1 3.32Å; I656-T660 WeakPolarHBondContact O-CB 3.35Å; I656-T660 PolarHBondContact O-N 2.85Å; I656-T660 PolarHBondContact O-OG1 3.18Å; A657-T660 PolarHBondContact O-N 3.31Å; T660-K662 VanDerWaalsContact C-N 3.26Å; T660-K662 PolarHBondContact O-N 3.14Å; T660-G663 WeakPolarHBondContact O-CA 3.39Å; T660-G663 PolarHBondContact O-N 3.46Å; T660-I664 PolarHBondContact O-N 2.72Å; T660-V687 HydrophobicContact CG2-CG1 3.89Å |
| 661 | A | 88.9 | Confident | 88.3 | Confident | 4 Ų | 4 | 43.1 Ų | 43.1 | 3% | 0.033 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.5 | -34.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A657 G663 I664 V687 H690 R691 | A657-A661 VanDerWaalsContact O-CB 3.26Å; A657-A661 WeakPolarHBondContact O-CB 3.45Å; A657-A661 PolarHBondContact O-N 2.66Å; A661-G663 VanDerWaalsContact C-N 3.32Å; A661-I664 PolarHBondContact O-N 3.48Å; A661-V687 HydrophobicContact CB-CG1 4.05Å; A661-V687 WeakPolarHBondContact CB-O 3.42Å; A661-H690 HydrophobicContact CB-CB 4.04Å; A661-R691 HydrophobicContact CB-CB 4.48Å |
| 662 | K | 87.3 | Confident | 87.9 | Confident | 176 Ų | 176 | 42.9 Ų | 42.9 | 77% | 0.765 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -68.1 | -31.1 | 171.8 | -71.3 | 176.2 | 179.1 | -176.2 | 0 | 112.5 | K658 M659 T660 I664 | K658-K662 WeakPolarHBondContact O-CG 3.35Å; K658-K662 PolarHBondContact O-N 3.47Å; M659-K662 WeakPolarHBondContact O-CB 3.35Å; M659-K662 PolarHBondContact O-N 2.9Å; T660-K662 VanDerWaalsContact C-N 3.26Å; T660-K662 PolarHBondContact O-N 3.14Å; K662-I664 VanDerWaalsContact C-N 3.27Å; K662-I664 PolarHBondContact O-N 3.35Å |
| 663 | G | 84.6 | Confident | 87.2 | Confident | 11 Ų | 11 | 48.4 Ų | 48.4 | 11% | 0.113 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.8 | -19.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | M659 T660 A661 T665 | M659-G663 PolarHBondContact O-N 3.1Å; M659-G663 VanDerWaalsContact O-N 3.14Å; T660-G663 WeakPolarHBondContact O-CA 3.39Å; T660-G663 PolarHBondContact O-N 3.46Å; A661-G663 VanDerWaalsContact C-N 3.32Å; G663-T665 PolarHBondContact O-N 3.36Å |
| 664 | I | 86.4 | Confident | 86.5 | Confident | 7 Ų | 7 | 48.2 Ų | 48.2 | 4% | 0.036 | 23% | 0.23 | C | C | . | . | trans | -79.4 | 84.6 | 176.6 | -57.5 | 173.1 | 0 | 0 | 0 | 109.8 | I617 L621 T660 A661 K662 I669 V687 L688 | I617-I664 HydrophobicContact CG2-CG1 3.96Å; L621-I664 HydrophobicContact CD1-CB 4.36Å; L621-I664 HydrophobicContact CD1-CG1 4.22Å; L621-I664 HydrophobicContact CD1-CG2 4.3Å; T660-I664 PolarHBondContact O-N 2.72Å; A661-I664 PolarHBondContact O-N 3.48Å; K662-I664 VanDerWaalsContact C-N 3.27Å; K662-I664 PolarHBondContact O-N 3.35Å; I664-I669 HydrophobicContact CG2-CD1 3.45Å; I664-I669 VanDerWaalsContact CG2-CD1 3.45Å; I664-I669 HydrophobicContact CG2-CG1 4.46Å; I664-V687 HydrophobicContact CD1-CG1 4.09Å; I664-L688 HydrophobicContact CD1-CD2 4.05Å | ||
| 665 | T | 82.9 | Confident | 85.4 | Confident | 97 Ų | 97 | 44 Ų | 44 | 60% | 0.595 | 21% | 0.214 | S | C | * | . | trans | -80.5 | -17.3 | 179.9 | 57.2 | 0 | 0 | 0 | 0 | 113.9 | G663 | G663-T665 PolarHBondContact O-N 3.36Š| ||
| 666 | A | 84.8 | Confident | 84.9 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 2% | 0.017 | 20% | 0.195 | C | C | . | . | trans | -64.9 | 138.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | V635 I669 R691 | V635-A666 HydrophobicContact CB-CB 4.28Å; V635-A666 HydrophobicContact CG2-CB 3.75Å; A666-I669 HydrophobicContact CB-CG1 4.31Å; A666-R691 PolarHBondContact O-NH2 2.66Å | ||
| 667 | S | 87.4 | Confident | 84.2 | Confident | 28 Ų | 28 | 42.4 Ų | 42.4 | 20% | 0.196 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -85.5 | -16.2 | 174.7 | 53.6 | 0 | 0 | 0 | 0 | 112.2 | L632 K633 G696 | L632-S667 WeakPolarHBondContact CA-OG 2.99Å; L632-S667 WeakPolarHBondContact CB-OG 3Å; L632-S667 WeakPolarHBondContact CD2-OG 3.3Å; K633-S667 PolarHBondContact N-OG 3.36Å; K633-S667 PolarHBondContact O-N 3.38Å; K633-S667 VanDerWaalsContact O-N 3.08Å; K633-S667 PolarHBondContact O-OG 2.97Å; S667-G696 PolarHBondContact O-N 2.97Å |
| 668 | F | 90 | Very high | 83.7 | Confident | 33 Ų | 33 | 42.9 Ų | 42.9 | 15% | 0.145 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 129.6 | 177.6 | -175.1 | -82.7 | 0 | 0 | 0 | 110.3 | K633 K634 V635 K670 G696 D698 V721 | K633-F668 PolarHBondContact O-N 2.94Å; K634-F668 HydrophobicContact CB-CB 4.29Å; K634-F668 HydrophobicContact CB-CD1 4.12Å; K634-F668 HydrophobicContact CD-CD1 4.48Å; K634-F668 HydrophobicContact CG-CB 3.86Å; K634-F668 HydrophobicContact CG-CD1 4.1Å; K634-F668 HydrophobicContact CG-CG 4.11Å; V635-F668 PolarHBondContact N-O 3.26Å; F668-K670 HydrophobicContact CE1-CB 4.05Å; F668-G696 CarbonylContact C-O 3.27Å; F668-G696 VanDerWaalsContact CA-O 3.25Å; F668-G696 WeakPolarHBondContact CA-O 2.99Å; F668-D698 HydrophobicContact CE1-CB 4.05Å; F668-D698 HydrophobicContact CZ-CB 3.64Å; F668-V721 HydrophobicContact CD2-CB 4.49Å; F668-V721 HydrophobicContact CD2-CG2 4.43Å; F668-V721 HydrophobicContact CE2-CB 4.13Å; F668-V721 HydrophobicContact CE2-CG1 3.83Å; F668-V721 HydrophobicContact CE2-CG2 4.31Å |
| 669 | I | 91 | Very high | 82.8 | Confident | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 125 | 178.5 | -70.3 | 168.1 | 0 | 0 | 0 | 108.5 | V637 I664 A666 L671 L695 G696 L697 D698 | V637-I669 HydrophobicContact CB-CG2 4.49Å; V637-I669 HydrophobicContact CG2-CG2 3.8Å; I664-I669 HydrophobicContact CG2-CD1 3.45Å; I664-I669 VanDerWaalsContact CG2-CD1 3.45Å; I664-I669 HydrophobicContact CG2-CG1 4.46Å; A666-I669 HydrophobicContact CB-CG1 4.31Å; I669-L671 HydrophobicContact CG2-CD1 4.18Å; I669-L671 HydrophobicContact CG2-CD2 4.41Å; I669-L671 HydrophobicContact CG2-CG 3.84Å; I669-L695 HydrophobicContact CB-CD1 4.41Å; I669-L695 HydrophobicContact CD1-CD1 3.9Å; I669-L695 HydrophobicContact CD1-CD2 4.01Å; I669-L695 HydrophobicContact CG1-CD1 3.99Å; I669-G696 PolarHBondContact N-O 3.26Å; I669-L697 HydrophobicContact CB-CD1 4.26Å; I669-L697 HydrophobicContact CG2-CD1 4.19Å; I669-D698 PolarHBondContact O-N 3.22Å |
| 670 | K | 89.8 | Confident | 82.6 | Confident | 80 Ų | 80 | 35.7 Ų | 35.7 | 35% | 0.348 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 117.5 | 172 | -173.5 | 177.6 | 176.9 | -178.6 | 0 | 110 | V635 V637 F668 D698 | V635-K670 PolarHBondContact O-N 2.68Å; V637-K670 PolarHBondContact N-O 3.2Å; F668-K670 HydrophobicContact CE1-CB 4.05Å; K670-D698 HydrophobicContact CB-CB 4.32Å; K670-D698 HydrophobicContact CG-CB 4.16Å |
| 671 | L | 86.9 | Confident | 82.6 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | trans | -114.4 | 33.5 | 176.2 | -68.6 | 166.7 | 0 | 0 | 0 | 110.4 | V637 F641 I669 I684 L697 D698 M699 N702 | V637-L671 HydrophobicContact CB-CD2 3.96Å; V637-L671 HydrophobicContact CG1-CD2 3.93Å; F641-L671 HydrophobicContact CD1-CD2 3.8Å; F641-L671 HydrophobicContact CE1-CD1 4.5Å; F641-L671 HydrophobicContact CE1-CD2 4.03Å; I669-L671 HydrophobicContact CG2-CD1 4.18Å; I669-L671 HydrophobicContact CG2-CD2 4.41Å; I669-L671 HydrophobicContact CG2-CG 3.84Å; L671-I684 HydrophobicContact CD1-CD1 4.23Å; L671-L697 HydrophobicContact CD1-CD1 3.97Å; L671-D698 WeakPolarHBondContact CA-O 3.38Å; L671-D698 PolarHBondContact N-O 2.79Å; L671-M699 HydrophobicContact CB-CG 4.16Å; L671-M699 HydrophobicContact CD1-CG 4.28Å; L671-N702 PolarHBondContact O-ND2 3.35Å | ||
| 672 | G | 80.9 | Confident | 82.5 | Confident | 2 Ų | 2 | 36 Ų | 36 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | 143.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | C674 D700 | G672-C674 PolarHBondContact O-N 2.7Å; G672-C674 PolarHBondContact O-SG 3.2Å; G672-D700 WeakPolarHBondContact CA-O 3.34Å |
| 673 | Y | 72.3 | Confident | 82.5 | Confident | 165 Ų | 165 | 27.8 Ų | 27.8 | 65% | 0.647 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 30.6 | -179 | -54.7 | -88.7 | 0 | 0 | 0 | 113.9 | D700 N701 | Y673-D700 PolarHBondContact N-O 2.58Å; Y673-N701 WeakPolarHBondContact CA-O 3.28Å; Y673-N701 HydrophobicContact CD1-CB 3.59Å; Y673-N701 HydrophobicContact CD2-CB 4.07Å; Y673-N701 HydrophobicContact CE1-CB 3.41Å; Y673-N701 VanDerWaalsContact CE1-CB 3.41Å; Y673-N701 VanDerWaalsContact CE1-CG 3.45Å; Y673-N701 HydrophobicContact CE2-CB 3.91Å; Y673-N701 WeakPolarHBondContact CE2-ND2 3.2Å; Y673-N701 HydrophobicContact CG-CB 3.93Å; Y673-N701 VanDerWaalsContact CZ-ND2 3.3Å; Y673-N701 PolarHBondContact N-O 3.11Å; Y673-N701 VanDerWaalsContact OH-CG 3.24Å; Y673-N701 PolarHBondContact OH-ND2 3.25Å; Y673-N701 PolarHBondContact OH-OD1 2.86Å |
| 674 | C | 73.4 | Confident | 82.8 | Confident | 10 Ų | 10 | 27.3 Ų | 27.3 | 7% | 0.068 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -96.9 | 7.2 | -179.8 | -72.3 | 0 | 0 | 0 | 0 | 113.1 | V637 G672 V676 N702 | V637-C674 PolarHBondContact O-SG 2.87Å; G672-C674 PolarHBondContact O-N 2.7Å; G672-C674 PolarHBondContact O-SG 3.2Å; C674-V676 VanDerWaalsContact C-N 3.28Å; C674-V676 HydrophobicContact CB-CG2 3.93Å; C674-V676 PolarHBondContact O-N 3.24Å; C674-N702 PolarHBondContact N-OD1 3.17Å |
| 675 | N | 68.2 | Low | 83.1 | Confident | 45 Ų | 45 | 27.6 Ų | 27.6 | 24% | 0.241 | 14% | 0.139 | C | C | . | . | trans | 54.6 | 42.5 | -176.8 | -159.7 | 34.1 | 0 | 0 | 0 | 112.3 | D195 Y677 N702 N703 | D195-N675 PolarHBondContact OD1-ND2 3.01Å; D195-N675 VanDerWaalsContact OD1-ND2 3.16Å; D195-N675 PolarHBondContact OD2-ND2 2.89Å; N675-Y677 WeakPolarHBondContact O-CD2 3.48Å; N675-Y677 WeakPolarHBondContact O-CE2 3.41Å; N675-Y677 WeakPolarHBondContact OD1-CE2 3.26Å; N675-Y677 PolarHBondContact OD1-OH 2.82Å; N675-N702 PolarHBondContact N-OD1 3.41Å; N675-N702 VanDerWaalsContact N-OD1 3.15Å; N675-N703 PolarHBondContact OD1-ND2 3.5Å | ||
| 676 | V | 78.9 | Confident | 83.5 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | trans | -74.5 | 129.3 | 178.7 | -177.7 | 0 | 0 | 0 | 0 | 109.6 | L642 C674 D680 I684 N702 N703 I704 | L642-V676 HydrophobicContact CD2-CG2 4.02Å; C674-V676 VanDerWaalsContact C-N 3.28Å; C674-V676 HydrophobicContact CB-CG2 3.93Å; C674-V676 PolarHBondContact O-N 3.24Å; V676-D680 HydrophobicContact CG1-CB 3.73Å; V676-I684 HydrophobicContact CG1-CD1 3.94Å; V676-N702 HydrophobicContact CB-CB 3.98Å; V676-N702 WeakPolarHBondContact CG2-OD1 3.21Å; V676-N702 PolarHBondContact N-OD1 3.29Å; V676-N703 CarbonylContact O-C 3.52Å; V676-N703 WeakPolarHBondContact O-CA 3.36Å; V676-N703 PolarHBondContact O-N 3.44Å; V676-I704 HydrophobicContact CG1-CD1 4.23Å; V676-I704 HydrophobicContact CG1-CG1 4.27Å | ||
| 677 | Y | 76.8 | Confident | 83.8 | Confident | 50 Ų | 50 | 24.1 Ų | 24.1 | 20% | 0.196 | 12% | 0.116 | C | C | . | . | B | Isolated β-bridge | trans | -106 | 171.5 | 173.8 | -68.6 | -92.2 | 0 | 0 | 0 | 112.4 | D195 N675 G679 D680 C681 N703 | D195-Y677 WeakPolarHBondContact OD2-CE2 3.46Å; D195-Y677 PolarHBondContact OD2-OH 3.36Å; N675-Y677 WeakPolarHBondContact O-CD2 3.48Å; N675-Y677 WeakPolarHBondContact O-CE2 3.41Å; N675-Y677 WeakPolarHBondContact OD1-CE2 3.26Å; N675-Y677 PolarHBondContact OD1-OH 2.82Å; Y677-G679 PolarHBondContact O-N 3.25Å; Y677-D680 PolarHBondContact N-OD2 2.96Å; Y677-D680 VanDerWaalsContact O-CB 3.28Å; Y677-D680 WeakPolarHBondContact O-CB 3.4Å; Y677-D680 PolarHBondContact O-N 2.91Å; Y677-C681 PolarHBondContact O-N 3.01Å; Y677-N703 HydrophobicContact CD1-CB 3.6Å; Y677-N703 HydrophobicContact CE1-CB 3.62Å; Y677-N703 VanDerWaalsContact CE1-ND2 3.27Å; Y677-N703 WeakPolarHBondContact CE1-ND2 3.41Å; Y677-N703 HydrophobicContact CG-CB 4.27Å; Y677-N703 PolarHBondContact OH-ND2 3.44Å |
| 678 | S | 79.1 | Confident | 84 | Confident | 9 Ų | 9 | 23.3 Ų | 23.3 | 6% | 0.063 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.1 | -32.9 | 175.7 | -64.4 | 0 | 0 | 0 | 0 | 113.7 | D680 C681 S705 G708 | S678-D680 VanDerWaalsContact C-N 3.33Å; S678-D680 PolarHBondContact O-N 3.04Å; S678-C681 WeakPolarHBondContact O-CB 3.46Å; S678-C681 PolarHBondContact O-N 3.07Å; S678-S705 PolarHBondContact OG-N 3.21Å; S678-S705 PolarHBondContact OG-OG 2.7Å; S678-G708 PolarHBondContact OG-N 2.86Å |
| 679 | G | 74.1 | Confident | 84 | Confident | 12 Ų | 12 | 25 Ų | 25 | 12% | 0.124 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.8 | -39.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y677 C681 T682 | Y677-G679 PolarHBondContact O-N 3.25Å; G679-C681 VanDerWaalsContact C-N 3.31Å; G679-C681 PolarHBondContact O-N 2.93Å; G679-T682 VanDerWaalsContact O-CB 3.23Å; G679-T682 WeakPolarHBondContact O-CB 3.4Å; G679-T682 PolarHBondContact O-N 3.28Å; G679-T682 VanDerWaalsContact O-N 3.15Å; G679-T682 PolarHBondContact O-OG1 2.94Å |
| 680 | D | 83.1 | Confident | 84 | Confident | 13 Ų | 13 | 26.9 Ų | 26.9 | 7% | 0.07 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.9 | -31.2 | -179 | -69.3 | -43.5 | 0 | 0 | 0 | 113.5 | L642 R646 V676 Y677 S678 T682 A683 I684 | L642-D680 HydrophobicContact CD1-CB 4.06Å; L642-D680 HydrophobicContact CD2-CB 4.35Å; R646-D680 IonicContact CZ-OD1 2.82Å; R646-D680 IonicContact CZ-OD2 3.77Å; R646-D680 IonicContact NE-OD1 3.2Å; R646-D680 PolarHBondContact NE-OD1 3Å; R646-D680 IonicContact NH2-OD1 2.74Å; R646-D680 PolarHBondContact NH2-OD1 3.1Å; R646-D680 IonicContact NH2-OD2 3.81Å; R646-D680 PolarHBondContact NH2-OD2 3.47Å; V676-D680 HydrophobicContact CG1-CB 3.73Å; Y677-D680 PolarHBondContact N-OD2 2.96Å; Y677-D680 VanDerWaalsContact O-CB 3.28Å; Y677-D680 WeakPolarHBondContact O-CB 3.4Å; Y677-D680 PolarHBondContact O-N 2.91Å; S678-D680 VanDerWaalsContact C-N 3.33Å; S678-D680 PolarHBondContact O-N 3.04Å; D680-T682 PolarHBondContact O-N 3.43Å; D680-T682 VanDerWaalsContact O-N 3.12Å; D680-A683 PolarHBondContact O-N 3.18Å; D680-I684 WeakPolarHBondContact O-CG1 3.15Å; D680-I684 PolarHBondContact O-N 2.94Å |
| 681 | C | 88.1 | Confident | 84 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -55.8 | -29.3 | 174.9 | -69.1 | 0 | 0 | 0 | 0 | 111.9 | Y677 S678 G679 N685 G708 Q711 L712 | Y677-C681 PolarHBondContact O-N 3.01Å; S678-C681 WeakPolarHBondContact O-CB 3.46Å; S678-C681 PolarHBondContact O-N 3.07Å; G679-C681 VanDerWaalsContact C-N 3.31Å; G679-C681 PolarHBondContact O-N 2.93Å; C681-N685 WeakPolarHBondContact O-CB 3.3Å; C681-N685 PolarHBondContact O-N 3.33Å; C681-G708 WeakPolarHBondContact CB-O 3.49Å; C681-Q711 HydrophobicContact CB-CB 3.98Å; C681-L712 HydrophobicContact CB-CD1 4.33Å; C681-L712 HydrophobicContact CB-CD2 4.21Å; C681-L712 HydrophobicContact CB-CG 3.92Å |
| 682 | T | 85.6 | Confident | 83.9 | Confident | 12 Ų | 12 | 31.1 Ų | 31.1 | 7% | 0.074 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.7 | -47 | 174.9 | -43.2 | 0 | 0 | 0 | 0 | 111.2 | H376 F649 G679 D680 N685 F686 Q711 | H376-T682 HydrophobicContact CB-CG2 4.38Å; H376-T682 WeakPolarHBondContact ND1-CB 3.16Å; H376-T682 PolarHBondContact ND1-OG1 2.83Å; F649-T682 HydrophobicContact CD2-CG2 4.4Å; F649-T682 HydrophobicContact CE2-CG2 3.57Å; F649-T682 HydrophobicContact CZ-CG2 3.69Å; G679-T682 VanDerWaalsContact O-CB 3.23Å; G679-T682 WeakPolarHBondContact O-CB 3.4Å; G679-T682 PolarHBondContact O-N 3.28Å; G679-T682 VanDerWaalsContact O-N 3.15Å; G679-T682 PolarHBondContact O-OG1 2.94Å; D680-T682 PolarHBondContact O-N 3.43Å; D680-T682 VanDerWaalsContact O-N 3.12Å; T682-N685 PolarHBondContact O-N 3.03Å; T682-F686 WeakPolarHBondContact O-CB 3.39Å; T682-F686 PolarHBondContact O-N 2.87Å; T682-Q711 WeakPolarHBondContact OG1-CG 3.26Å; T682-Q711 PolarHBondContact OG1-OE1 2.9Å |
| 683 | A | 88.7 | Confident | 84.3 | Confident | 3 Ų | 3 | 38.7 Ų | 38.7 | 3% | 0.025 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.2 | -37.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F649 D680 F686 | F649-A683 HydrophobicContact CB-CB 3.66Å; F649-A683 HydrophobicContact CD1-CB 4.44Å; F649-A683 HydrophobicContact CG-CB 4.01Å; D680-A683 PolarHBondContact O-N 3.18Å; A683-F686 PolarHBondContact O-N 3.22Å |
| 684 | I | 91.4 | Very high | 85.2 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.4 | -53.4 | 173.1 | -66.5 | 168.5 | 0 | 0 | 0 | 109.7 | L642 L645 L671 V676 D680 F686 V687 L688 M699 L712 | L642-I684 HydrophobicContact CD1-CD1 4Å; L642-I684 HydrophobicContact CD1-CG1 4.01Å; L645-I684 HydrophobicContact CD1-CG1 3.95Å; L671-I684 HydrophobicContact CD1-CD1 4.23Å; V676-I684 HydrophobicContact CG1-CD1 3.94Å; D680-I684 WeakPolarHBondContact O-CG1 3.15Å; D680-I684 PolarHBondContact O-N 2.94Å; I684-F686 VanDerWaalsContact C-N 3.3Å; I684-F686 PolarHBondContact O-N 2.78Å; I684-V687 PolarHBondContact O-N 3.39Å; I684-L688 HydrophobicContact CG2-CD1 3.41Å; I684-L688 VanDerWaalsContact CG2-CD1 3.41Å; I684-L688 HydrophobicContact CG2-CG 3.95Å; I684-L688 WeakPolarHBondContact O-CB 3.47Å; I684-L688 WeakPolarHBondContact O-CG 3.31Å; I684-L688 PolarHBondContact O-N 3.02Å; I684-M699 HydrophobicContact CD1-SD 4.23Å; I684-L712 HydrophobicContact CB-CD2 4.38Å; I684-L712 HydrophobicContact CG2-CD2 4.01Å |
| 685 | N | 91.7 | Very high | 86.2 | Confident | 13 Ų | 13 | 35.1 Ų | 35.1 | 7% | 0.07 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.9 | -39.1 | 179.6 | -178.8 | 54.2 | 0 | 0 | 0 | 112.3 | C681 T682 V687 L688 Q689 Q711 L712 S715 | C681-N685 WeakPolarHBondContact O-CB 3.3Å; C681-N685 PolarHBondContact O-N 3.33Å; T682-N685 PolarHBondContact O-N 3.03Å; N685-V687 PolarHBondContact O-N 3.34Å; N685-V687 VanDerWaalsContact O-N 3.14Å; N685-L688 PolarHBondContact O-N 3.21Å; N685-Q689 WeakPolarHBondContact O-CB 3.24Å; N685-Q689 VanDerWaalsContact O-CG 3.23Å; N685-Q689 WeakPolarHBondContact O-CG 3.21Å; N685-Q689 PolarHBondContact O-N 3.22Å; N685-Q711 VanDerWaalsContact CB-O 3.25Å; N685-Q711 WeakPolarHBondContact CB-O 3.11Å; N685-Q711 PolarHBondContact ND2-O 3.24Å; N685-L712 HydrophobicContact CB-CD2 4.29Å; N685-S715 WeakPolarHBondContact OD1-CB 3.39Å; N685-S715 PolarHBondContact OD1-N 2.78Å; N685-S715 PolarHBondContact OD1-OG 3.26Å |
| 686 | F | 90.7 | Very high | 87.4 | Confident | 27 Ų | 27 | 33 Ų | 33 | 12% | 0.118 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -54.2 | -36.7 | -179.6 | -176.7 | -109.5 | 0 | 0 | 0 | 112.9 | I648 F649 A657 T682 A683 I684 Q689 H690 | I648-F686 HydrophobicContact CG2-CD1 4.2Å; I648-F686 HydrophobicContact CG2-CE1 4.1Å; F649-F686 HydrophobicContact CB-CD1 4.38Å; F649-F686 HydrophobicContact CD2-CB 3.88Å; F649-F686 HydrophobicContact CD2-CD1 4.33Å; F649-F686 HydrophobicContact CD2-CD2 4.25Å; F649-F686 AromaticContact CD2-CG 3.91Å; F649-F686 HydrophobicContact CD2-CG 3.91Å; A657-F686 HydrophobicContact CB-CD1 3.88Å; A657-F686 HydrophobicContact CB-CE1 3.62Å; A657-F686 HydrophobicContact CB-CZ 4.19Å; T682-F686 WeakPolarHBondContact O-CB 3.39Å; T682-F686 PolarHBondContact O-N 2.87Å; A683-F686 PolarHBondContact O-N 3.22Å; I684-F686 VanDerWaalsContact C-N 3.3Å; I684-F686 PolarHBondContact O-N 2.78Å; F686-Q689 PolarHBondContact O-NE2 2.91Å; F686-Q689 VanDerWaalsContact O-NE2 3.11Å; F686-H690 PolarHBondContact O-CD2 2.72Å |
| 687 | V | 91.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -88.7 | -47.7 | 175.7 | 179.3 | 0 | 0 | 0 | 0 | 111.6 | L645 I648 A657 T660 A661 I664 I684 N685 Q689 H690 | L645-V687 HydrophobicContact CD2-CB 3.92Å; L645-V687 HydrophobicContact CD2-CG1 4.18Å; L645-V687 HydrophobicContact CD2-CG2 3.61Å; I648-V687 HydrophobicContact CG2-CG2 3.9Å; A657-V687 HydrophobicContact CB-CG2 4.34Å; T660-V687 HydrophobicContact CG2-CG1 3.89Å; A661-V687 HydrophobicContact CB-CG1 4.05Å; A661-V687 WeakPolarHBondContact CB-O 3.42Å; I664-V687 HydrophobicContact CD1-CG1 4.09Å; I684-V687 PolarHBondContact O-N 3.39Å; N685-V687 PolarHBondContact O-N 3.34Å; N685-V687 VanDerWaalsContact O-N 3.14Å; V687-Q689 VanDerWaalsContact C-N 3.31Å; V687-Q689 PolarHBondContact O-N 3.22Å; V687-H690 PolarHBondContact O-N 3.44Å; V687-H690 VanDerWaalsContact O-N 3.15Å |
| 688 | L | 91.1 | Very high | 88.9 | Confident | 11 Ų | 11 | 31.1 Ų | 31.1 | 6% | 0.058 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65 | -30.8 | -172 | -69 | -169.9 | 0 | 0 | 0 | 113.7 | I664 I684 N685 H690 R691 L695 L697 M719 | I664-L688 HydrophobicContact CD1-CD2 4.05Å; I684-L688 HydrophobicContact CG2-CD1 3.41Å; I684-L688 VanDerWaalsContact CG2-CD1 3.41Å; I684-L688 HydrophobicContact CG2-CG 3.95Å; I684-L688 WeakPolarHBondContact O-CB 3.47Å; I684-L688 WeakPolarHBondContact O-CG 3.31Å; I684-L688 PolarHBondContact O-N 3.02Å; N685-L688 PolarHBondContact O-N 3.21Å; L688-H690 PolarHBondContact O-N 3.4Å; L688-H690 VanDerWaalsContact O-N 3.08Å; L688-R691 VanDerWaalsContact O-CB 3.25Å; L688-R691 WeakPolarHBondContact O-CB 3.32Å; L688-R691 PolarHBondContact O-N 3.39Å; L688-L695 HydrophobicContact CD1-CD2 3.97Å; L688-L695 HydrophobicContact CD2-CD2 3.68Å; L688-L695 HydrophobicContact CG-CD2 4.46Å; L688-L697 HydrophobicContact CD1-CD2 3.96Å; L688-M719 HydrophobicContact CD1-CE 4.32Å |
| 689 | Q | 90.8 | Very high | 89.5 | Confident | 69 Ų | 69 | 30.8 Ų | 30.8 | 32% | 0.322 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -22.9 | 176.7 | 69.2 | -176.7 | -26 | 0 | 0 | 113.4 | N685 F686 V687 S715 | N685-Q689 WeakPolarHBondContact O-CB 3.24Å; N685-Q689 VanDerWaalsContact O-CG 3.23Å; N685-Q689 WeakPolarHBondContact O-CG 3.21Å; N685-Q689 PolarHBondContact O-N 3.22Å; F686-Q689 PolarHBondContact O-NE2 2.91Å; F686-Q689 VanDerWaalsContact O-NE2 3.11Å; V687-Q689 VanDerWaalsContact C-N 3.31Å; V687-Q689 PolarHBondContact O-N 3.22Å; Q689-S715 PolarHBondContact N-OG 3.2Å |
| 690 | H | 91.3 | Very high | 90.2 | Very high | 41 Ų | 41 | 30.8 Ų | 30.8 | 19% | 0.19 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -3.1 | 179.6 | -64.9 | -45.5 | 0 | 0 | 0 | 113.6 | K658 A661 F686 V687 L688 | K658-H690 HydrophobicContact CG-CB 3.95Å; A661-H690 HydrophobicContact CB-CB 4.04Å; F686-H690 PolarHBondContact O-CD2 2.72Å; V687-H690 PolarHBondContact O-N 3.44Å; V687-H690 VanDerWaalsContact O-N 3.15Å; L688-H690 PolarHBondContact O-N 3.4Å; L688-H690 VanDerWaalsContact O-N 3.08Å |
| 691 | R | 88.7 | Confident | 90 | Very high | 12 Ų | 12 | 32.2 Ų | 32.2 | 5% | 0.045 | 15% | 0.151 | C | C | . | . | trans | -74.3 | 131 | 179.7 | -166 | 169.5 | 177.7 | -88.1 | 9.4 | 110.3 | A661 A666 L688 K693 H694 L695 | A661-R691 HydrophobicContact CB-CB 4.48Å; A666-R691 PolarHBondContact O-NH2 2.66Å; L688-R691 VanDerWaalsContact O-CB 3.25Å; L688-R691 WeakPolarHBondContact O-CB 3.32Å; L688-R691 PolarHBondContact O-N 3.39Å; R691-K693 PolarHBondContact NH1-O 3.31Å; R691-H694 PolarHBondContact NH1-O 3.48Å; R691-H694 PolarHBondContact NH2-O 3.14Å; R691-L695 VanDerWaalsContact NH1-CB 3.3Å | ||
| 692 | Q | 86.3 | Confident | 89.8 | Confident | 159 Ų | 159 | 32.4 Ų | 32.4 | 74% | 0.743 | 15% | 0.153 | S | C | * | . | trans | -85.1 | -36.3 | -177.3 | -62.1 | -58.5 | -33.5 | 0 | 0 | 112.8 | ||||
| 693 | K | 88.9 | Confident | 89.2 | Confident | 161 Ų | 161 | 32.7 Ų | 32.7 | 70% | 0.7 | 15% | 0.153 | S | C | * | . | S | Bend | trans | -82.2 | 161 | 179.3 | -63.6 | -174.7 | 178.7 | -177 | 0 | 110.9 | R691 | R691-K693 PolarHBondContact NH1-O 3.31Š|
| 694 | H | 91.8 | Very high | 88.9 | Confident | 95 Ų | 95 | 32.5 Ų | 32.5 | 44% | 0.44 | 15% | 0.152 | S | C | . | . | trans | -74.1 | 142 | 171.1 | -65.7 | -61 | 0 | 0 | 0 | 112.4 | R691 K718 T720 | R691-H694 PolarHBondContact NH1-O 3.48Å; R691-H694 PolarHBondContact NH2-O 3.14Å; H694-K718 CarbonylContact C-O 3.18Å; H694-K718 WeakPolarHBondContact CA-O 3.33Å; H694-T720 HydrophobicContact CB-CG2 3.61Å | ||
| 695 | L | 92.9 | Very high | 88.6 | Confident | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 135.6 | -175.5 | -174.6 | 57.4 | 0 | 0 | 0 | 110 | I669 L688 R691 K718 M719 T720 | I669-L695 HydrophobicContact CB-CD1 4.41Å; I669-L695 HydrophobicContact CD1-CD1 3.9Å; I669-L695 HydrophobicContact CD1-CD2 4.01Å; I669-L695 HydrophobicContact CG1-CD1 3.99Å; L688-L695 HydrophobicContact CD1-CD2 3.97Å; L688-L695 HydrophobicContact CD2-CD2 3.68Å; L688-L695 HydrophobicContact CG-CD2 4.46Å; R691-L695 VanDerWaalsContact NH1-CB 3.3Å; L695-K718 PolarHBondContact N-O 3.14Å; L695-M719 CarbonylContact O-C 3.19Å; L695-M719 VanDerWaalsContact O-CA 3.23Å; L695-M719 WeakPolarHBondContact O-CA 3.43Å; L695-T720 PolarHBondContact O-N 3.38Å; L695-T720 PolarHBondContact O-OG1 3.45Å |
| 696 | G | 93.6 | Very high | 88.3 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 125.4 | 156.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | S667 F668 I669 | S667-G696 PolarHBondContact O-N 2.97Å; F668-G696 CarbonylContact C-O 3.27Å; F668-G696 VanDerWaalsContact CA-O 3.25Å; F668-G696 WeakPolarHBondContact CA-O 2.99Å; I669-G696 PolarHBondContact N-O 3.26Å |
| 697 | L | 94.1 | Very high | 87.8 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 122.7 | 179.6 | -171.5 | 63.1 | 0 | 0 | 0 | 109.6 | I669 L671 L688 M699 M719 V721 R723 | I669-L697 HydrophobicContact CB-CD1 4.26Å; I669-L697 HydrophobicContact CG2-CD1 4.19Å; L671-L697 HydrophobicContact CD1-CD1 3.97Å; L688-L697 HydrophobicContact CD1-CD2 3.96Å; L697-M699 HydrophobicContact CD1-CG 4.34Å; L697-M699 HydrophobicContact CD2-CE 3.52Å; L697-M699 HydrophobicContact CD2-CG 4.34Å; L697-M699 HydrophobicContact CD2-SD 3.76Å; L697-M699 HydrophobicContact CG-CE 4.04Å; L697-M699 HydrophobicContact CG-CG 4.02Å; L697-M699 HydrophobicContact CG-SD 4.11Å; L697-M719 HydrophobicContact CB-SD 4.13Å; L697-M719 HydrophobicContact CD2-CE 3.47Å; L697-M719 VanDerWaalsContact CD2-CE 3.47Å; L697-M719 HydrophobicContact CD2-SD 3.89Å; L697-V721 PolarHBondContact N-O 2.97Å; L697-V721 VanDerWaalsContact O-O 3.12Å; L697-R723 PolarHBondContact O-N 3.08Å |
| 698 | D | 92.8 | Very high | 87.6 | Confident | 10 Ų | 10 | 35.7 Ų | 35.7 | 5% | 0.053 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 115.4 | 175.2 | 176.6 | -9.7 | 0 | 0 | 0 | 108.7 | F668 I669 K670 L671 D700 R723 | F668-D698 HydrophobicContact CE1-CB 4.05Å; F668-D698 HydrophobicContact CZ-CB 3.64Å; I669-D698 PolarHBondContact O-N 3.22Å; K670-D698 HydrophobicContact CB-CB 4.32Å; K670-D698 HydrophobicContact CG-CB 4.16Å; L671-D698 WeakPolarHBondContact CA-O 3.38Å; L671-D698 PolarHBondContact N-O 2.79Å; D698-D700 VanDerWaalsContact OD1-CB 3.32Å; D698-D700 WeakPolarHBondContact OD1-CB 3.34Å; D698-D700 PolarHBondContact OD1-N 3.06Å; D698-R723 HydrophobicContact CB-CB 4.28Å; D698-R723 IonicContact OD2-NE 3.54Å |
| 699 | M | 92.4 | Very high | 87.6 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | trans | -123.3 | 34.8 | 178.1 | -66.7 | 179.8 | -62 | 0 | 0 | 110.3 | L671 I684 L697 N702 I704 L712 R723 L724 N727 | L671-M699 HydrophobicContact CB-CG 4.16Å; L671-M699 HydrophobicContact CD1-CG 4.28Å; I684-M699 HydrophobicContact CD1-SD 4.23Å; L697-M699 HydrophobicContact CD1-CG 4.34Å; L697-M699 HydrophobicContact CD2-CE 3.52Å; L697-M699 HydrophobicContact CD2-CG 4.34Å; L697-M699 HydrophobicContact CD2-SD 3.76Å; L697-M699 HydrophobicContact CG-CE 4.04Å; L697-M699 HydrophobicContact CG-CG 4.02Å; L697-M699 HydrophobicContact CG-SD 4.11Å; M699-N702 VanDerWaalsContact C-ND2 3.27Å; M699-N702 PolarHBondContact O-ND2 3.01Å; M699-I704 HydrophobicContact CB-CD1 3.86Å; M699-I704 HydrophobicContact CE-CD1 4.22Å; M699-I704 HydrophobicContact CG-CD1 4.48Å; M699-I704 HydrophobicContact SD-CD1 4.01Å; M699-L712 HydrophobicContact CE-CD1 3.36Å; M699-L712 HydrophobicContact SD-CD1 4.31Å; M699-R723 PolarHBondContact N-O 3.14Å; M699-L724 HydrophobicContact CB-CD2 4.19Å; M699-L724 HydrophobicContact CE-CD2 3.6Å; M699-N727 PolarHBondContact O-ND2 2.92Å; M699-N727 VanDerWaalsContact O-ND2 3.09Å | ||
| 700 | D | 87.8 | Confident | 87.5 | Confident | 12 Ų | 12 | 36.7 Ų | 36.7 | 6% | 0.064 | 17% | 0.172 | C | C | . | . | trans | -63.4 | 147.6 | 177.8 | -67 | -13.5 | 0 | 0 | 0 | 111.9 | G672 Y673 D698 N702 R723 L724 C725 | G672-D700 WeakPolarHBondContact CA-O 3.34Å; Y673-D700 PolarHBondContact N-O 2.58Å; D698-D700 VanDerWaalsContact OD1-CB 3.32Å; D698-D700 WeakPolarHBondContact OD1-CB 3.34Å; D698-D700 PolarHBondContact OD1-N 3.06Å; D700-N702 PolarHBondContact O-ND2 2.66Å; D700-R723 VanDerWaalsContact OD1-C 3.22Å; D700-R723 WeakPolarHBondContact OD1-CB 3.36Å; D700-R723 IonicContact OD1-NE 2.73Å; D700-R723 IonicContact OD2-CZ 2.63Å; D700-R723 VanDerWaalsContact OD2-CZ 3.26Å; D700-R723 IonicContact OD2-NE 3.5Å; D700-R723 PolarHBondContact OD2-NE 3.18Å; D700-R723 IonicContact OD2-NH2 2.64Å; D700-R723 PolarHBondContact OD2-NH2 3.36Å; D700-L724 PolarHBondContact OD1-N 3.28Å; D700-C725 CarbonylContact C-O 3.59Å; D700-C725 WeakPolarHBondContact CA-O 3.37Å; D700-C725 HydrophobicContact CB-CB 4.12Å; D700-C725 VanDerWaalsContact OD1-CB 3.23Å; D700-C725 WeakPolarHBondContact OD1-CB 3.34Å; D700-C725 PolarHBondContact OD1-N 2.88Å; D700-C725 PolarHBondContact OD1-SG 2.82Å | ||
| 701 | N | 80.7 | Confident | 87.4 | Confident | 42 Ų | 42 | 36.2 Ų | 36.2 | 23% | 0.225 | 17% | 0.17 | C | C | . | . | S | Bend | trans | 58.7 | 59.9 | 178.3 | -53.2 | -91.5 | 0 | 0 | 0 | 112.6 | Y673 C725 V726 | Y673-N701 WeakPolarHBondContact CA-O 3.28Å; Y673-N701 HydrophobicContact CD1-CB 3.59Å; Y673-N701 HydrophobicContact CD2-CB 4.07Å; Y673-N701 HydrophobicContact CE1-CB 3.41Å; Y673-N701 VanDerWaalsContact CE1-CB 3.41Å; Y673-N701 VanDerWaalsContact CE1-CG 3.45Å; Y673-N701 HydrophobicContact CE2-CB 3.91Å; Y673-N701 WeakPolarHBondContact CE2-ND2 3.2Å; Y673-N701 HydrophobicContact CG-CB 3.93Å; Y673-N701 VanDerWaalsContact CZ-ND2 3.3Å; Y673-N701 PolarHBondContact N-O 3.11Å; Y673-N701 VanDerWaalsContact OH-CG 3.24Å; Y673-N701 PolarHBondContact OH-ND2 3.25Å; Y673-N701 PolarHBondContact OH-OD1 2.86Å; N701-C725 PolarHBondContact N-O 3.12Å; N701-V726 VanDerWaalsContact CA-O 3.29Å; N701-V726 WeakPolarHBondContact CA-O 3.07Å; N701-V726 HydrophobicContact CB-CB 4.41Å; N701-V726 PolarHBondContact N-O 2.74Å; N701-V726 WeakPolarHBondContact OD1-CB 3.4Å; N701-V726 WeakPolarHBondContact OD1-CG1 3.43Å; N701-V726 WeakPolarHBondContact OD1-CG2 3.4Å |
| 702 | N | 82 | Confident | 87.5 | Confident | 5 Ų | 5 | 35.7 Ų | 35.7 | 3% | 0.027 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -136.4 | -174.4 | 175.9 | -75.1 | -63.8 | 0 | 0 | 0 | 109.6 | L671 C674 N675 V676 M699 D700 I704 V726 N727 | L671-N702 PolarHBondContact O-ND2 3.35Å; C674-N702 PolarHBondContact N-OD1 3.17Å; N675-N702 PolarHBondContact N-OD1 3.41Å; N675-N702 VanDerWaalsContact N-OD1 3.15Å; V676-N702 HydrophobicContact CB-CB 3.98Å; V676-N702 WeakPolarHBondContact CG2-OD1 3.21Å; V676-N702 PolarHBondContact N-OD1 3.29Å; M699-N702 VanDerWaalsContact C-ND2 3.27Å; M699-N702 PolarHBondContact O-ND2 3.01Å; D700-N702 PolarHBondContact O-ND2 2.66Å; N702-I704 HydrophobicContact CB-CD1 4.38Å; N702-I704 HydrophobicContact CB-CG1 4.17Å; N702-V726 PolarHBondContact N-O 2.84Å; N702-N727 WeakPolarHBondContact CB-OD1 3.22Å; N702-N727 PolarHBondContact O-OD1 3.12Å |
| 703 | N | 73.6 | Confident | 87.7 | Confident | 17 Ų | 17 | 30.7 Ų | 30.7 | 9% | 0.091 | 15% | 0.145 | C | C | . | . | B | Isolated β-bridge | trans | -112 | 39.6 | -175.5 | -49.8 | -41 | 0 | 0 | 0 | 111 | R343 N675 V676 Y677 | R343-N703 VanDerWaalsContact NH1-CG 3.29Å; R343-N703 PolarHBondContact NH1-ND2 3.43Å; R343-N703 VanDerWaalsContact NH1-ND2 3.14Å; R343-N703 PolarHBondContact NH1-OD1 3.38Å; N675-N703 PolarHBondContact OD1-ND2 3.5Å; V676-N703 CarbonylContact O-C 3.52Å; V676-N703 WeakPolarHBondContact O-CA 3.36Å; V676-N703 PolarHBondContact O-N 3.44Å; Y677-N703 HydrophobicContact CD1-CB 3.6Å; Y677-N703 HydrophobicContact CE1-CB 3.62Å; Y677-N703 VanDerWaalsContact CE1-ND2 3.27Å; Y677-N703 WeakPolarHBondContact CE1-ND2 3.41Å; Y677-N703 HydrophobicContact CG-CB 4.27Å; Y677-N703 PolarHBondContact OH-ND2 3.44Å |
| 704 | I | 83.6 | Confident | 87.8 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -79.2 | 125.9 | -179 | -56 | 174.9 | 0 | 0 | 0 | 108.3 | V676 M699 N702 V709 L724 N727 N728 L729 | V676-I704 HydrophobicContact CG1-CD1 4.23Å; V676-I704 HydrophobicContact CG1-CG1 4.27Å; M699-I704 HydrophobicContact CB-CD1 3.86Å; M699-I704 HydrophobicContact CE-CD1 4.22Å; M699-I704 HydrophobicContact CG-CD1 4.48Å; M699-I704 HydrophobicContact SD-CD1 4.01Å; N702-I704 HydrophobicContact CB-CD1 4.38Å; N702-I704 HydrophobicContact CB-CG1 4.17Å; I704-V709 HydrophobicContact CG2-CG2 4.28Å; I704-L724 HydrophobicContact CD1-CD2 3.89Å; I704-N727 HydrophobicContact CB-CB 4.48Å; I704-N727 VanDerWaalsContact CB-OD1 3.22Å; I704-N727 WeakPolarHBondContact CB-OD1 3.38Å; I704-N727 WeakPolarHBondContact CG1-OD1 3.48Å; I704-N727 PolarHBondContact N-OD1 3.39Å; I704-N728 PolarHBondContact O-N 3.25Å; I704-L729 HydrophobicContact CG2-CD2 4.15Å; I704-L729 WeakPolarHBondContact O-CD2 3.46Å | ||
| 705 | S | 83.6 | Confident | 87.8 | Confident | 26 Ų | 26 | 21.6 Ų | 21.6 | 18% | 0.182 | 11% | 0.11 | C | C | . | . | B | Isolated β-bridge | trans | -104 | -177.9 | 171 | 68.9 | 0 | 0 | 0 | 0 | 111 | S678 Y707 G708 V709 | S678-S705 PolarHBondContact OG-N 3.21Å; S678-S705 PolarHBondContact OG-OG 2.7Å; S705-Y707 PolarHBondContact O-N 3.43Å; S705-Y707 VanDerWaalsContact O-N 3.08Å; S705-G708 PolarHBondContact O-N 3.26Å; S705-V709 PolarHBondContact O-N 2.9Å |
| 706 | D | 85.8 | Confident | 87.8 | Confident | 34 Ų | 34 | 21.4 Ų | 21.4 | 18% | 0.182 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -53.2 | -32.2 | 177.3 | -56.1 | -35.1 | 0 | 0 | 0 | 113.7 | G708 V709 K710 T730 R732 S733 | D706-G708 PolarHBondContact O-N 3.42Å; D706-V709 PolarHBondContact O-N 3.09Å; D706-K710 PolarHBondContact O-N 3.14Å; D706-T730 VanDerWaalsContact CG-OG1 3.23Å; D706-T730 PolarHBondContact OD1-N 3.19Å; D706-T730 PolarHBondContact OD1-OG1 2.85Å; D706-T730 WeakPolarHBondContact OD2-CG2 3.18Å; D706-T730 PolarHBondContact OD2-OG1 3.2Å; D706-R732 HydrophobicContact CB-CB 4.29Å; D706-S733 VanDerWaalsContact CA-OG 3.24Å; D706-S733 WeakPolarHBondContact CA-OG 3.4Å; D706-S733 WeakPolarHBondContact OD1-CB 3.44Å; D706-S733 PolarHBondContact OD1-N 3.38Å; D706-S733 PolarHBondContact OD1-OG 3.38Å |
| 707 | Y | 80.9 | Confident | 87.7 | Confident | 47 Ų | 47 | 22.5 Ų | 22.5 | 18% | 0.184 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.7 | -41.1 | 174.7 | -62.7 | -62 | 0 | 0 | 0 | 112.5 | P347 P375 C378 S705 K710 Q711 | P347-Y707 HydrophobicContact CG-CE2 4.11Å; P375-Y707 HydrophobicContact CB-CD1 4.08Å; C378-Y707 VanDerWaalsContact SG-CZ 3.59Å; S705-Y707 PolarHBondContact O-N 3.43Å; S705-Y707 VanDerWaalsContact O-N 3.08Å; Y707-K710 WeakPolarHBondContact O-CB 3.14Å; Y707-K710 PolarHBondContact O-N 3.03Å; Y707-Q711 WeakPolarHBondContact O-CG 3.37Å; Y707-Q711 PolarHBondContact O-N 3.06Å |
| 708 | G | 86.4 | Confident | 87.5 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.6 | -39.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S678 C681 S705 D706 K710 Q711 L712 | S678-G708 PolarHBondContact OG-N 2.86Å; C681-G708 WeakPolarHBondContact CB-O 3.49Å; S705-G708 PolarHBondContact O-N 3.26Å; D706-G708 PolarHBondContact O-N 3.42Å; G708-K710 VanDerWaalsContact C-N 3.34Å; G708-K710 PolarHBondContact O-N 3.38Å; G708-Q711 WeakPolarHBondContact O-CB 3.06Å; G708-Q711 PolarHBondContact O-N 3.07Å; G708-L712 WeakPolarHBondContact O-CG 3.43Å; G708-L712 PolarHBondContact O-N 3.27Å; G708-L712 VanDerWaalsContact O-N 3.11Å |
| 709 | V | 91.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.2 | -43.2 | 173.4 | 175.7 | 0 | 0 | 0 | 0 | 110.9 | I704 S705 D706 Q711 L712 Q713 F716 L724 L729 V736 L737 | I704-V709 HydrophobicContact CG2-CG2 4.28Å; S705-V709 PolarHBondContact O-N 2.9Å; D706-V709 PolarHBondContact O-N 3.09Å; V709-Q711 VanDerWaalsContact C-N 3.29Å; V709-Q711 PolarHBondContact O-N 2.83Å; V709-L712 PolarHBondContact O-N 3.38Å; V709-L712 VanDerWaalsContact O-N 3.1Å; V709-Q713 PolarHBondContact O-N 3.01Å; V709-F716 HydrophobicContact CG1-CE2 4.16Å; V709-F716 HydrophobicContact CG1-CZ 4.05Å; V709-L724 HydrophobicContact CG2-CD1 4.1Å; V709-L729 HydrophobicContact CG2-CD1 4.14Å; V709-L729 HydrophobicContact CG2-CD2 3.53Å; V709-L729 HydrophobicContact CG2-CG 4.48Å; V709-V736 HydrophobicContact CG1-CB 4.26Å; V709-V736 HydrophobicContact CG1-CG1 4.24Å; V709-L737 HydrophobicContact CG1-CD2 4.13Å; V709-L737 HydrophobicContact CG1-CG 3.96Å |
| 710 | K | 89.1 | Confident | 87.7 | Confident | 101 Ų | 101 | 26.1 Ų | 26.1 | 44% | 0.439 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -59.8 | -37.3 | 174 | -168.7 | 175.6 | -178.9 | -179.9 | 0 | 112.4 | P375 D706 Y707 G708 L712 Q713 | P375-K710 HydrophobicContact CG-CD 4.18Å; D706-K710 PolarHBondContact O-N 3.14Å; Y707-K710 WeakPolarHBondContact O-CB 3.14Å; Y707-K710 PolarHBondContact O-N 3.03Å; G708-K710 VanDerWaalsContact C-N 3.34Å; G708-K710 PolarHBondContact O-N 3.38Å; K710-L712 VanDerWaalsContact C-N 3.32Å; K710-L712 PolarHBondContact O-N 3.46Å; K710-Q713 WeakPolarHBondContact O-CB 3.48Å; K710-Q713 PolarHBondContact O-N 2.93Å |
| 711 | Q | 87.6 | Confident | 88 | Confident | 32 Ų | 32 | 26.5 Ų | 26.5 | 15% | 0.15 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.9 | -28.3 | 175.8 | -69.1 | -61.2 | -24.8 | 0 | 0 | 113.6 | C681 T682 N685 Y707 G708 V709 Q713 | C681-Q711 HydrophobicContact CB-CB 3.98Å; T682-Q711 WeakPolarHBondContact OG1-CG 3.26Å; T682-Q711 PolarHBondContact OG1-OE1 2.9Å; N685-Q711 VanDerWaalsContact CB-O 3.25Å; N685-Q711 WeakPolarHBondContact CB-O 3.11Å; N685-Q711 PolarHBondContact ND2-O 3.24Å; Y707-Q711 WeakPolarHBondContact O-CG 3.37Å; Y707-Q711 PolarHBondContact O-N 3.06Å; G708-Q711 WeakPolarHBondContact O-CB 3.06Å; G708-Q711 PolarHBondContact O-N 3.07Å; V709-Q711 VanDerWaalsContact C-N 3.29Å; V709-Q711 PolarHBondContact O-N 2.83Å; Q711-Q713 VanDerWaalsContact C-N 3.3Å |
| 712 | L | 91.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -81.5 | -8.2 | 177.4 | -67.8 | 167.9 | 0 | 0 | 0 | 113.6 | C681 I684 N685 M699 G708 V709 K710 P714 S715 F716 | C681-L712 HydrophobicContact CB-CD1 4.33Å; C681-L712 HydrophobicContact CB-CD2 4.21Å; C681-L712 HydrophobicContact CB-CG 3.92Å; I684-L712 HydrophobicContact CB-CD2 4.38Å; I684-L712 HydrophobicContact CG2-CD2 4.01Å; N685-L712 HydrophobicContact CB-CD2 4.29Å; M699-L712 HydrophobicContact CE-CD1 3.36Å; M699-L712 HydrophobicContact SD-CD1 4.31Å; G708-L712 WeakPolarHBondContact O-CG 3.43Å; G708-L712 PolarHBondContact O-N 3.27Å; G708-L712 VanDerWaalsContact O-N 3.11Å; V709-L712 PolarHBondContact O-N 3.38Å; V709-L712 VanDerWaalsContact O-N 3.1Å; K710-L712 VanDerWaalsContact C-N 3.32Å; K710-L712 PolarHBondContact O-N 3.46Å; L712-P714 VanDerWaalsContact C-CD 3.43Å; L712-P714 VanDerWaalsContact C-N 3.34Å; L712-P714 VanDerWaalsContact O-N 3.13Å; L712-S715 WeakPolarHBondContact O-CB 3.27Å; L712-S715 PolarHBondContact O-N 3.14Å; L712-F716 HydrophobicContact CB-CE1 4.24Å; L712-F716 HydrophobicContact CB-CE2 4.06Å; L712-F716 HydrophobicContact CB-CZ 3.69Å; L712-F716 PolarHBondContact O-N 3Å |
| 713 | Q | 91.1 | Very high | 89.5 | Confident | 54 Ų | 54 | 27.7 Ų | 27.7 | 25% | 0.252 | 14% | 0.138 | S | C | . | . | G | 310 helix | trans | -43.4 | -49.7 | -174.2 | -168.6 | -177.4 | -17.6 | 0 | 0 | 113.6 | V709 K710 Q711 S715 F716 V736 E740 | V709-Q713 PolarHBondContact O-N 3.01Å; K710-Q713 WeakPolarHBondContact O-CB 3.48Å; K710-Q713 PolarHBondContact O-N 2.93Å; Q711-Q713 VanDerWaalsContact C-N 3.3Å; Q713-S715 PolarHBondContact O-N 3.32Å; Q713-F716 PolarHBondContact O-N 3.09Å; Q713-V736 HydrophobicContact CB-CG1 4.26Å; Q713-V736 HydrophobicContact CG-CG1 4.04Å; Q713-E740 HydrophobicContact CG-CG 3.39Å; Q713-E740 WeakPolarHBondContact CG-OE1 3.09Å; Q713-E740 PolarHBondContact NE2-OE1 3.4Å |
| 714 | P | 90 | Very high | 90.5 | Very high | 64 Ų | 64 | 26.9 Ų | 26.9 | 42% | 0.416 | 13% | 0.134 | S | C | . | . | G | 310 helix | trans | -64.7 | -25 | -178.7 | -22 | 35.8 | 0 | 0 | 0 | 114.6 | L712 C717 | L712-P714 VanDerWaalsContact C-CD 3.43Å; L712-P714 VanDerWaalsContact C-N 3.34Å; L712-P714 VanDerWaalsContact O-N 3.13Å; P714-C717 PolarHBondContact O-SG 3.41Å |
| 715 | S | 92.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.007 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -86.9 | -16.3 | -176.4 | -71.8 | 0 | 0 | 0 | 0 | 113.7 | N685 Q689 L712 Q713 C717 K718 | N685-S715 WeakPolarHBondContact OD1-CB 3.39Å; N685-S715 PolarHBondContact OD1-N 2.78Å; N685-S715 PolarHBondContact OD1-OG 3.26Å; Q689-S715 PolarHBondContact N-OG 3.2Å; L712-S715 WeakPolarHBondContact O-CB 3.27Å; L712-S715 PolarHBondContact O-N 3.14Å; Q713-S715 PolarHBondContact O-N 3.32Å; S715-C717 PolarHBondContact O-N 3.39Å; S715-K718 PolarHBondContact O-N 3Å |
| 716 | F | 92.9 | Very high | 91 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -61.3 | -28.4 | -178.1 | -71.3 | -50.6 | 0 | 0 | 0 | 113.3 | V709 L712 Q713 K718 M719 V722 L737 E740 L741 | V709-F716 HydrophobicContact CG1-CE2 4.16Å; V709-F716 HydrophobicContact CG1-CZ 4.05Å; L712-F716 HydrophobicContact CB-CE1 4.24Å; L712-F716 HydrophobicContact CB-CE2 4.06Å; L712-F716 HydrophobicContact CB-CZ 3.69Å; L712-F716 PolarHBondContact O-N 3Å; Q713-F716 PolarHBondContact O-N 3.09Å; F716-K718 PolarHBondContact O-N 3.44Å; F716-M719 HydrophobicContact CD1-CE 4.42Å; F716-M719 HydrophobicContact CD1-SD 3.71Å; F716-M719 HydrophobicContact CE1-SD 3.99Å; F716-M719 PolarHBondContact O-N 3.11Å; F716-V722 HydrophobicContact CD1-CG2 4.2Å; F716-V722 HydrophobicContact CE1-CG1 4.08Å; F716-V722 HydrophobicContact CE1-CG2 4.43Å; F716-L737 HydrophobicContact CD1-CD2 4.24Å; F716-L737 HydrophobicContact CD2-CD2 4.39Å; F716-L737 HydrophobicContact CE1-CD2 3.65Å; F716-L737 HydrophobicContact CE2-CD2 3.83Å; F716-L737 HydrophobicContact CZ-CD2 3.43Å; F716-L737 VanDerWaalsContact CZ-CD2 3.43Å; F716-E740 HydrophobicContact CB-CB 3.99Å; F716-E740 HydrophobicContact CD2-CB 4.08Å; F716-E740 HydrophobicContact CD2-CG 4.23Å; F716-E740 HydrophobicContact CG-CB 4.46Å; F716-L741 HydrophobicContact CB-CD2 4.09Å; F716-L741 HydrophobicContact CD1-CD2 4.39Å; F716-L741 HydrophobicContact CG-CD2 4.39Å |
| 717 | C | 91.6 | Very high | 91 | Very high | 25 Ų | 25 | 26.3 Ų | 26.3 | 17% | 0.169 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -58 | -17.2 | 172.9 | 72.3 | 0 | 0 | 0 | 0 | 114.2 | P714 S715 Y744 | P714-C717 PolarHBondContact O-SG 3.41Å; S715-C717 PolarHBondContact O-N 3.39Å; C717-Y744 HydrophobicContact CB-CD1 3.63Å; C717-Y744 HydrophobicContact CB-CD2 3.4Å; C717-Y744 VanDerWaalsContact CB-CD2 3.4Å; C717-Y744 HydrophobicContact CB-CE1 3.6Å; C717-Y744 HydrophobicContact CB-CE2 3.37Å; C717-Y744 HydrophobicContact CB-CG 3.55Å; C717-Y744 VanDerWaalsContact CB-CZ 3.5Å |
| 718 | K | 90.5 | Very high | 91.1 | Very high | 61 Ų | 61 | 27.3 Ų | 27.3 | 27% | 0.265 | 14% | 0.139 | S | C | . | . | G | 310 helix | trans | -107.1 | -4.8 | 179.4 | -53.2 | -53.2 | 179.9 | -171.8 | 0 | 113.1 | H694 L695 S715 F716 | H694-K718 CarbonylContact C-O 3.18Å; H694-K718 WeakPolarHBondContact CA-O 3.33Å; L695-K718 PolarHBondContact N-O 3.14Å; S715-K718 PolarHBondContact O-N 3Å; F716-K718 PolarHBondContact O-N 3.44Å |
| 719 | M | 93.9 | Very high | 91.3 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 117.4 | -171.2 | -62.7 | -171.2 | -169.3 | 0 | 0 | 112.7 | L688 L695 L697 F716 V722 V746 | L688-M719 HydrophobicContact CD1-CE 4.32Å; L695-M719 CarbonylContact O-C 3.19Å; L695-M719 VanDerWaalsContact O-CA 3.23Å; L695-M719 WeakPolarHBondContact O-CA 3.43Å; L697-M719 HydrophobicContact CB-SD 4.13Å; L697-M719 HydrophobicContact CD2-CE 3.47Å; L697-M719 VanDerWaalsContact CD2-CE 3.47Å; L697-M719 HydrophobicContact CD2-SD 3.89Å; F716-M719 HydrophobicContact CD1-CE 4.42Å; F716-M719 HydrophobicContact CD1-SD 3.71Å; F716-M719 HydrophobicContact CE1-SD 3.99Å; F716-M719 PolarHBondContact O-N 3.11Å; M719-V722 HydrophobicContact CB-CG2 3.68Å; M719-V722 HydrophobicContact SD-CG2 4.07Å; M719-V746 WeakPolarHBondContact O-CG2 3.45Å |
| 720 | T | 94.4 | Very high | 91.3 | Very high | 26 Ų | 26 | 29.5 Ų | 29.5 | 16% | 0.16 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -23.3 | 172.2 | 47.4 | 0 | 0 | 0 | 0 | 112.7 | H694 L695 V746 K748 V749 | H694-T720 HydrophobicContact CB-CG2 3.61Å; L695-T720 PolarHBondContact O-N 3.38Å; L695-T720 PolarHBondContact O-OG1 3.45Å; T720-V746 WeakPolarHBondContact CG2-O 3.29Å; T720-K748 WeakPolarHBondContact O-CA 3.26Å; T720-K748 WeakPolarHBondContact O-CB 3.31Å; T720-K748 PolarHBondContact O-N 3.2Å; T720-V749 PolarHBondContact O-N 2.89Å |
| 721 | V | 95.4 | Very high | 91.7 | Very high | 20 Ų | 20 | 26.3 Ų | 26.3 | 12% | 0.121 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 125.5 | 174.4 | 177.8 | 0 | 0 | 0 | 0 | 106.7 | F668 L697 R723 V749 | F668-V721 HydrophobicContact CD2-CB 4.49Å; F668-V721 HydrophobicContact CD2-CG2 4.43Å; F668-V721 HydrophobicContact CE2-CB 4.13Å; F668-V721 HydrophobicContact CE2-CG1 3.83Å; F668-V721 HydrophobicContact CE2-CG2 4.31Å; L697-V721 PolarHBondContact N-O 2.97Å; L697-V721 VanDerWaalsContact O-O 3.12Å; V721-R723 HydrophobicContact CG1-CG 3.67Å; V721-V749 HydrophobicContact CB-CB 4.15Å; V721-V749 HydrophobicContact CG1-CB 3.72Å; V721-V749 HydrophobicContact CG1-CG1 3.82Å; V721-V749 HydrophobicContact CG1-CG2 4.5Å; V721-V749 HydrophobicContact CG2-CB 3.94Å; V721-V749 HydrophobicContact CG2-CG2 4.01Å |
| 722 | V | 96.6 | Very high | 91.9 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.012 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 102.8 | 175.5 | -179 | 0 | 0 | 0 | 0 | 106.5 | F716 M719 L724 L737 L741 V747 V749 L750 G751 | F716-V722 HydrophobicContact CD1-CG2 4.2Å; F716-V722 HydrophobicContact CE1-CG1 4.08Å; F716-V722 HydrophobicContact CE1-CG2 4.43Å; M719-V722 HydrophobicContact CB-CG2 3.68Å; M719-V722 HydrophobicContact SD-CG2 4.07Å; V722-L724 HydrophobicContact CG1-CD1 3.88Å; V722-L724 HydrophobicContact CG1-CG 4.26Å; V722-L737 HydrophobicContact CG1-CD2 4.35Å; V722-L741 HydrophobicContact CG2-CD2 4.39Å; V722-V747 HydrophobicContact CG2-CG2 4.48Å; V722-V749 PolarHBondContact N-O 3.05Å; V722-L750 HydrophobicContact CB-CD1 4.38Å; V722-L750 HydrophobicContact CG1-CD1 4.47Å; V722-L750 CarbonylContact O-C 3.49Å; V722-L750 WeakPolarHBondContact O-CA 2.98Å; V722-G751 PolarHBondContact O-N 3.09Å |
| 723 | R | 95.8 | Very high | 92 | Very high | 69 Ų | 69 | 33.1 Ų | 33.1 | 26% | 0.26 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 122.3 | 173.5 | -50.7 | 174.3 | 55.4 | 95 | 4.7 | 110 | L697 D698 M699 D700 V721 V749 | L697-R723 PolarHBondContact O-N 3.08Å; D698-R723 HydrophobicContact CB-CB 4.28Å; D698-R723 IonicContact OD2-NE 3.54Å; M699-R723 PolarHBondContact N-O 3.14Å; D700-R723 VanDerWaalsContact OD1-C 3.22Å; D700-R723 WeakPolarHBondContact OD1-CB 3.36Å; D700-R723 IonicContact OD1-NE 2.73Å; D700-R723 IonicContact OD2-CZ 2.63Å; D700-R723 VanDerWaalsContact OD2-CZ 3.26Å; D700-R723 IonicContact OD2-NE 3.5Å; D700-R723 PolarHBondContact OD2-NE 3.18Å; D700-R723 IonicContact OD2-NH2 2.64Å; D700-R723 PolarHBondContact OD2-NH2 3.36Å; V721-R723 HydrophobicContact CG1-CG 3.67Å; R723-V749 HydrophobicContact CG-CG1 4.38Å |
| 724 | L | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -134.7 | 39.6 | -177.7 | -64.7 | 162.5 | 0 | 0 | 0 | 109.3 | M699 D700 I704 V709 V722 N727 L729 L737 G751 L752 N755 | M699-L724 HydrophobicContact CB-CD2 4.19Å; M699-L724 HydrophobicContact CE-CD2 3.6Å; D700-L724 PolarHBondContact OD1-N 3.28Å; I704-L724 HydrophobicContact CD1-CD2 3.89Å; V709-L724 HydrophobicContact CG2-CD1 4.1Å; V722-L724 HydrophobicContact CG1-CD1 3.88Å; V722-L724 HydrophobicContact CG1-CG 4.26Å; L724-N727 PolarHBondContact O-ND2 3.1Å; L724-L729 HydrophobicContact CB-CD1 3.64Å; L724-L729 HydrophobicContact CD1-CD1 3.84Å; L724-L729 HydrophobicContact CG-CD1 4.28Å; L724-L737 HydrophobicContact CD1-CD1 4.34Å; L724-G751 PolarHBondContact N-O 3.5Å; L724-L752 HydrophobicContact CB-CD2 4.45Å; L724-N755 PolarHBondContact O-ND2 3.27Å | ||
| 725 | C | 91.7 | Very high | 92.7 | Very high | 4 Ų | 4 | 33.1 Ų | 33.1 | 3% | 0.027 | 16% | 0.159 | C | C | . | . | trans | -73.7 | 148.9 | -179.1 | -49.5 | 0 | 0 | 0 | 0 | 110.2 | D700 N701 N727 Y753 | D700-C725 CarbonylContact C-O 3.59Å; D700-C725 WeakPolarHBondContact CA-O 3.37Å; D700-C725 HydrophobicContact CB-CB 4.12Å; D700-C725 VanDerWaalsContact OD1-CB 3.23Å; D700-C725 WeakPolarHBondContact OD1-CB 3.34Å; D700-C725 PolarHBondContact OD1-N 2.88Å; D700-C725 PolarHBondContact OD1-SG 2.82Å; N701-C725 PolarHBondContact N-O 3.12Å; C725-N727 PolarHBondContact O-ND2 3.43Å; C725-Y753 CarbonylContact C-O 3.6Å; C725-Y753 WeakPolarHBondContact CA-O 3.45Å; C725-Y753 HydrophobicContact CB-CD1 4.1Å; C725-Y753 WeakPolarHBondContact CB-O 3.4Å | ||
| 726 | V | 85.3 | Confident | 92.9 | Very high | 39 Ų | 39 | 34.1 Ų | 34.1 | 24% | 0.236 | 17% | 0.165 | C | C | . | . | S | Bend | trans | 54.9 | 63.7 | 179 | -166.2 | 0 | 0 | 0 | 0 | 110.1 | N701 N702 Y753 N754 | N701-V726 VanDerWaalsContact CA-O 3.29Å; N701-V726 WeakPolarHBondContact CA-O 3.07Å; N701-V726 HydrophobicContact CB-CB 4.41Å; N701-V726 PolarHBondContact N-O 2.74Å; N701-V726 WeakPolarHBondContact OD1-CB 3.4Å; N701-V726 WeakPolarHBondContact OD1-CG1 3.43Å; N701-V726 WeakPolarHBondContact OD1-CG2 3.4Å; N702-V726 PolarHBondContact N-O 2.84Å; V726-Y753 HydrophobicContact CG2-CD1 3.96Å; V726-Y753 HydrophobicContact CG2-CE1 3.9Å; V726-Y753 PolarHBondContact N-O 2.71Å; V726-N754 VanDerWaalsContact CA-O 3.26Å; V726-N754 WeakPolarHBondContact CA-O 3.37Å; V726-N754 HydrophobicContact CG2-CB 3.93Å; V726-N754 PolarHBondContact N-O 3.01Å |
| 727 | N | 85.8 | Confident | 93.1 | Very high | 5 Ų | 5 | 34.1 Ų | 34.1 | 3% | 0.027 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -139.6 | -173.2 | 177.5 | -82.8 | -85.5 | 0 | 0 | 0 | 108.6 | M699 N702 I704 L724 C725 L729 N754 N755 | M699-N727 PolarHBondContact O-ND2 2.92Å; M699-N727 VanDerWaalsContact O-ND2 3.09Å; N702-N727 WeakPolarHBondContact CB-OD1 3.22Å; N702-N727 PolarHBondContact O-OD1 3.12Å; I704-N727 HydrophobicContact CB-CB 4.48Å; I704-N727 VanDerWaalsContact CB-OD1 3.22Å; I704-N727 WeakPolarHBondContact CB-OD1 3.38Å; I704-N727 WeakPolarHBondContact CG1-OD1 3.48Å; I704-N727 PolarHBondContact N-OD1 3.39Å; L724-N727 PolarHBondContact O-ND2 3.1Å; C725-N727 PolarHBondContact O-ND2 3.43Å; N727-L729 HydrophobicContact CB-CD2 4.48Å; N727-L729 HydrophobicContact CB-CG 4.14Å; N727-N754 PolarHBondContact N-O 3.34Å; N727-N755 WeakPolarHBondContact CA-OD1 3.38Å; N727-N755 WeakPolarHBondContact CB-OD1 3.4Å; N727-N755 PolarHBondContact N-OD1 3.43Å; N727-N755 PolarHBondContact O-OD1 3.38Å |
| 728 | N | 83.2 | Confident | 93.3 | Very high | 69 Ų | 69 | 33.1 Ų | 33.1 | 37% | 0.369 | 16% | 0.158 | S | C | . | . | B | Isolated β-bridge | trans | -107.8 | 42.1 | -177 | -65.9 | -24.7 | 0 | 0 | 0 | 111.8 | I704 | I704-N728 PolarHBondContact O-N 3.25Å |
| 729 | L | 91.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -82.4 | 139.8 | -176.6 | -52.3 | -172.4 | 0 | 0 | 0 | 112 | I704 V709 L724 N727 S733 L752 N755 N756 | I704-L729 HydrophobicContact CG2-CD2 4.15Å; I704-L729 WeakPolarHBondContact O-CD2 3.46Å; V709-L729 HydrophobicContact CG2-CD1 4.14Å; V709-L729 HydrophobicContact CG2-CD2 3.53Å; V709-L729 HydrophobicContact CG2-CG 4.48Å; L724-L729 HydrophobicContact CB-CD1 3.64Å; L724-L729 HydrophobicContact CD1-CD1 3.84Å; L724-L729 HydrophobicContact CG-CD1 4.28Å; N727-L729 HydrophobicContact CB-CD2 4.48Å; N727-L729 HydrophobicContact CB-CG 4.14Å; L729-S733 WeakPolarHBondContact CD2-OG 3.27Å; L729-L752 HydrophobicContact CD1-CD2 4.12Å; L729-N755 HydrophobicContact CB-CB 4.2Å; L729-N755 WeakPolarHBondContact CB-OD1 3.48Å; L729-N755 VanDerWaalsContact CG-OD1 3.29Å; L729-N755 WeakPolarHBondContact CG-OD1 3.33Å; L729-N755 PolarHBondContact N-OD1 3.29Å; L729-N755 VanDerWaalsContact N-OD1 3.1Å; L729-N756 CarbonylContact O-C 3.47Å; L729-N756 WeakPolarHBondContact O-CA 3.3Å; L729-N756 WeakPolarHBondContact O-CB 3.46Å; L729-N756 PolarHBondContact O-N 3.37Å | ||
| 730 | T | 92.9 | Very high | 93.7 | Very high | 45 Ų | 45 | 36.1 Ų | 36.1 | 28% | 0.276 | 17% | 0.173 | S | C | . | . | trans | -113.5 | -176.7 | 172.6 | 80.8 | 0 | 0 | 0 | 0 | 111 | D706 R732 S733 I734 N756 | D706-T730 VanDerWaalsContact CG-OG1 3.23Å; D706-T730 PolarHBondContact OD1-N 3.19Å; D706-T730 PolarHBondContact OD1-OG1 2.85Å; D706-T730 WeakPolarHBondContact OD2-CG2 3.18Å; D706-T730 PolarHBondContact OD2-OG1 3.2Å; T730-R732 PolarHBondContact O-N 3.3Å; T730-R732 VanDerWaalsContact O-N 3.13Å; T730-R732 PolarHBondContact OG1-N 3.34Å; T730-S733 WeakPolarHBondContact O-CB 3.22Å; T730-S733 PolarHBondContact O-N 3.03Å; T730-I734 PolarHBondContact O-N 3.41Å; T730-N756 HydrophobicContact CG2-CB 4.38Å | ||
| 731 | D | 95.8 | Very high | 93.8 | Very high | 34 Ų | 34 | 34.9 Ų | 34.9 | 18% | 0.182 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56.3 | -27.6 | 175.9 | -58.7 | -32.1 | 0 | 0 | 0 | 113.2 | S733 I734 E735 T758 G761 | D731-S733 VanDerWaalsContact C-N 3.34Å; D731-S733 PolarHBondContact O-N 3.34Å; D731-I734 WeakPolarHBondContact O-CB 3.45Å; D731-I734 PolarHBondContact O-N 2.65Å; D731-I734 VanDerWaalsContact O-N 3.08Å; D731-E735 PolarHBondContact O-N 3.09Å; D731-T758 PolarHBondContact OD1-N 3.35Å; D731-T758 WeakPolarHBondContact OD2-CB 3.44Å; D731-T758 PolarHBondContact OD2-OG1 2.85Å; D731-G761 VanDerWaalsContact CG-N 3.32Å; D731-G761 VanDerWaalsContact OD1-CA 3.22Å; D731-G761 WeakPolarHBondContact OD1-CA 3.47Å; D731-G761 PolarHBondContact OD1-N 3.18Å |
| 732 | R | 92.8 | Very high | 93.8 | Very high | 175 Ų | 175 | 34.4 Ų | 34.4 | 66% | 0.66 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -64 | -37.3 | 175.7 | -66.6 | -179.5 | 176.1 | -174.3 | -2.3 | 112.5 | D706 T730 I734 E735 V736 | D706-R732 HydrophobicContact CB-CB 4.29Å; T730-R732 PolarHBondContact O-N 3.3Å; T730-R732 VanDerWaalsContact O-N 3.13Å; T730-R732 PolarHBondContact OG1-N 3.34Å; R732-I734 VanDerWaalsContact C-N 3.27Å; R732-I734 PolarHBondContact O-N 3.35Å; R732-E735 PolarHBondContact O-N 3.26Å; R732-V736 PolarHBondContact O-N 3.35Å |
| 733 | S | 94.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.2 | -40.4 | 171.6 | -73.8 | 0 | 0 | 0 | 0 | 111.4 | D706 L729 T730 D731 E735 V736 L737 | D706-S733 VanDerWaalsContact CA-OG 3.24Å; D706-S733 WeakPolarHBondContact CA-OG 3.4Å; D706-S733 WeakPolarHBondContact OD1-CB 3.44Å; D706-S733 PolarHBondContact OD1-N 3.38Å; D706-S733 PolarHBondContact OD1-OG 3.38Å; L729-S733 WeakPolarHBondContact CD2-OG 3.27Å; T730-S733 WeakPolarHBondContact O-CB 3.22Å; T730-S733 PolarHBondContact O-N 3.03Å; D731-S733 VanDerWaalsContact C-N 3.34Å; D731-S733 PolarHBondContact O-N 3.34Å; S733-E735 VanDerWaalsContact C-N 3.31Å; S733-E735 PolarHBondContact O-N 3.48Å; S733-V736 PolarHBondContact O-N 3.01Å; S733-L737 WeakPolarHBondContact O-CG 3.5Å; S733-L737 PolarHBondContact O-N 3.49Å |
| 734 | I | 97.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70 | -32.9 | -177.3 | -51.5 | -47.9 | 0 | 0 | 0 | 110.9 | T730 D731 R732 L737 A738 L752 I757 L764 V765 | T730-I734 PolarHBondContact O-N 3.41Å; D731-I734 WeakPolarHBondContact O-CB 3.45Å; D731-I734 PolarHBondContact O-N 2.65Å; D731-I734 VanDerWaalsContact O-N 3.08Å; R732-I734 VanDerWaalsContact C-N 3.27Å; R732-I734 PolarHBondContact O-N 3.35Å; I734-L737 HydrophobicContact CD1-CD1 4Å; I734-L737 PolarHBondContact O-N 2.82Å; I734-A738 VanDerWaalsContact O-CB 3.26Å; I734-A738 WeakPolarHBondContact O-CB 3.45Å; I734-A738 PolarHBondContact O-N 3.12Å; I734-L752 HydrophobicContact CD1-CD1 3.69Å; I734-L752 HydrophobicContact CD1-CD2 3.95Å; I734-L752 HydrophobicContact CD1-CG 4.44Å; I734-I757 HydrophobicContact CD1-CD1 3.71Å; I734-I757 HydrophobicContact CD1-CG1 4.12Å; I734-I757 HydrophobicContact CG1-CD1 4.05Å; I734-I757 HydrophobicContact CG1-CG1 4.01Å; I734-I757 HydrophobicContact CG1-CG2 4.23Å; I734-L764 HydrophobicContact CB-CB 4.5Å; I734-L764 HydrophobicContact CB-CD1 4.48Å; I734-L764 HydrophobicContact CG2-CB 3.6Å; I734-L764 HydrophobicContact CG2-CD1 4.43Å; I734-V765 HydrophobicContact CG2-CG2 3.57Å |
| 735 | E | 96.9 | Very high | 93.6 | Very high | 118 Ų | 118 | 45.8 Ų | 45.8 | 55% | 0.551 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -57.6 | -50.5 | 171.5 | -174.2 | 176.4 | -162.1 | 0 | 0 | 111.5 | D731 R732 S733 L737 A738 E739 L764 | D731-E735 PolarHBondContact O-N 3.09Å; R732-E735 PolarHBondContact O-N 3.26Å; S733-E735 VanDerWaalsContact C-N 3.31Å; S733-E735 PolarHBondContact O-N 3.48Å; E735-L737 VanDerWaalsContact C-N 3.35Å; E735-L737 PolarHBondContact O-N 2.82Å; E735-A738 PolarHBondContact O-N 3.06Å; E735-E739 PolarHBondContact O-N 3.07Å; E735-L764 HydrophobicContact CB-CD1 4.02Å |
| 736 | V | 96.2 | Very high | 93.7 | Very high | 23 Ų | 23 | 46.7 Ų | 46.7 | 14% | 0.139 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.9 | -42.4 | 176.5 | 178.6 | 0 | 0 | 0 | 0 | 111.5 | V709 Q713 R732 S733 E740 | V709-V736 HydrophobicContact CG1-CB 4.26Å; V709-V736 HydrophobicContact CG1-CG1 4.24Å; Q713-V736 HydrophobicContact CB-CG1 4.26Å; Q713-V736 HydrophobicContact CG-CG1 4.04Å; R732-V736 PolarHBondContact O-N 3.35Å; S733-V736 PolarHBondContact O-N 3.01Å; V736-E740 PolarHBondContact O-N 3.37Å; V736-E740 VanDerWaalsContact O-N 3.11Å |
| 737 | L | 97 | Very high | 94.2 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.4 | -41.5 | 176.7 | -70.8 | 172.9 | 0 | 0 | 0 | 111.6 | V709 F716 V722 L724 S733 I734 E735 L741 L752 I768 | V709-L737 HydrophobicContact CG1-CD2 4.13Å; V709-L737 HydrophobicContact CG1-CG 3.96Å; F716-L737 HydrophobicContact CD1-CD2 4.24Å; F716-L737 HydrophobicContact CD2-CD2 4.39Å; F716-L737 HydrophobicContact CE1-CD2 3.65Å; F716-L737 HydrophobicContact CE2-CD2 3.83Å; F716-L737 HydrophobicContact CZ-CD2 3.43Å; F716-L737 VanDerWaalsContact CZ-CD2 3.43Å; V722-L737 HydrophobicContact CG1-CD2 4.35Å; L724-L737 HydrophobicContact CD1-CD1 4.34Å; S733-L737 WeakPolarHBondContact O-CG 3.5Å; S733-L737 PolarHBondContact O-N 3.49Å; I734-L737 HydrophobicContact CD1-CD1 4Å; I734-L737 PolarHBondContact O-N 2.82Å; E735-L737 VanDerWaalsContact C-N 3.35Å; E735-L737 PolarHBondContact O-N 2.82Å; L737-L741 HydrophobicContact CB-CD1 4.2Å; L737-L741 HydrophobicContact CD2-CD1 4.23Å; L737-L741 WeakPolarHBondContact O-CB 3.11Å; L737-L741 WeakPolarHBondContact O-CG 3.25Å; L737-L741 PolarHBondContact O-N 3.44Å; L737-L752 HydrophobicContact CD1-CD2 4.05Å; L737-I768 HydrophobicContact CB-CD1 4.41Å |
| 738 | A | 97.1 | Very high | 94.7 | Very high | 3 Ų | 3 | 49.2 Ų | 49.2 | 3% | 0.025 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.4 | -45.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | I734 E735 E740 C742 L764 I768 | I734-A738 VanDerWaalsContact O-CB 3.26Å; I734-A738 WeakPolarHBondContact O-CB 3.45Å; I734-A738 PolarHBondContact O-N 3.12Å; E735-A738 PolarHBondContact O-N 3.06Å; A738-E740 PolarHBondContact O-N 3.01Å; A738-C742 WeakPolarHBondContact O-CB 3.45Å; A738-C742 PolarHBondContact O-N 3.46Å; A738-C742 VanDerWaalsContact O-N 3.11Å; A738-C742 PolarHBondContact O-SG 3.41Å; A738-L764 HydrophobicContact CB-CB 4.19Å; A738-L764 HydrophobicContact CB-CD2 4.31Å; A738-I768 HydrophobicContact CB-CD1 4.05Å; A738-I768 HydrophobicContact CB-CG1 3.94Å |
| 739 | E | 95.8 | Very high | 95.4 | Very high | 117 Ų | 117 | 47.3 Ų | 47.3 | 55% | 0.547 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -57.2 | -52.7 | 177.1 | -172.9 | -178.2 | 177.4 | 0 | 0 | 111.9 | E735 K743 | E735-E739 PolarHBondContact O-N 3.07Å; E739-K743 VanDerWaalsContact O-CB 3.26Å; E739-K743 WeakPolarHBondContact O-CB 3.35Å; E739-K743 PolarHBondContact O-N 3.32Å |
| 740 | E | 95.9 | Very high | 95.7 | Very high | 9 Ų | 9 | 47.3 Ų | 47.3 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -78.3 | -41.6 | -174.9 | -64.9 | -59.7 | 140.2 | 0 | 0 | 113.3 | Q713 F716 V736 A738 K743 Y744 | Q713-E740 HydrophobicContact CG-CG 3.39Å; Q713-E740 WeakPolarHBondContact CG-OE1 3.09Å; Q713-E740 PolarHBondContact NE2-OE1 3.4Å; F716-E740 HydrophobicContact CB-CB 3.99Å; F716-E740 HydrophobicContact CD2-CB 4.08Å; F716-E740 HydrophobicContact CD2-CG 4.23Å; F716-E740 HydrophobicContact CG-CB 4.46Å; V736-E740 PolarHBondContact O-N 3.37Å; V736-E740 VanDerWaalsContact O-N 3.11Å; A738-E740 PolarHBondContact O-N 3.01Å; E740-K743 WeakPolarHBondContact O-CB 3.46Å; E740-K743 PolarHBondContact O-N 3.46Å; E740-Y744 HydrophobicContact CB-CE2 4.47Å; E740-Y744 WeakPolarHBondContact O-CD2 3.41Å; E740-Y744 PolarHBondContact O-N 3.47Å; E740-Y744 WeakPolarHBondContact OE2-CE2 3.01Å; E740-Y744 PolarHBondContact OE2-OH 3.37Å |
| 741 | L | 96.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70.1 | -38.9 | -176.6 | -60.6 | -179 | 0 | 0 | 0 | 111.4 | F716 V722 L737 K743 Y744 K745 V747 L750 I768 | F716-L741 HydrophobicContact CB-CD2 4.09Å; F716-L741 HydrophobicContact CD1-CD2 4.39Å; F716-L741 HydrophobicContact CG-CD2 4.39Å; V722-L741 HydrophobicContact CG2-CD2 4.39Å; L737-L741 HydrophobicContact CB-CD1 4.2Å; L737-L741 HydrophobicContact CD2-CD1 4.23Å; L737-L741 WeakPolarHBondContact O-CB 3.11Å; L737-L741 WeakPolarHBondContact O-CG 3.25Å; L737-L741 PolarHBondContact O-N 3.44Å; L741-K743 VanDerWaalsContact C-N 3.28Å; L741-K743 PolarHBondContact O-N 3.29Å; L741-Y744 PolarHBondContact O-N 3.22Å; L741-K745 WeakPolarHBondContact O-CA 3.49Å; L741-K745 PolarHBondContact O-N 3.41Å; L741-V747 HydrophobicContact CB-CG1 4.24Å; L741-V747 HydrophobicContact CD1-CG1 4.4Å; L741-V747 HydrophobicContact CD1-CG2 4.44Å; L741-V747 HydrophobicContact CD2-CB 4.22Å; L741-L750 HydrophobicContact CD1-CD1 4.28Å; L741-I768 HydrophobicContact CB-CG2 4.47Å; L741-I768 HydrophobicContact CD1-CD1 4.45Å |
| 742 | C | 95.6 | Very high | 96 | Very high | 10 Ų | 10 | 43.5 Ų | 43.5 | 7% | 0.068 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.8 | -29.1 | 174.4 | -65.6 | 0 | 0 | 0 | 0 | 112.2 | A738 K745 E771 | A738-C742 WeakPolarHBondContact O-CB 3.45Å; A738-C742 PolarHBondContact O-N 3.46Å; A738-C742 VanDerWaalsContact O-N 3.11Å; A738-C742 PolarHBondContact O-SG 3.41Å; C742-K745 WeakPolarHBondContact O-CE 3.34Å; C742-K745 WeakPolarHBondContact O-CG 3.43Å; C742-E771 HydrophobicContact CB-CB 4.23Å |
| 743 | K | 95.6 | Very high | 96.1 | Very high | 134 Ų | 134 | 38.7 Ų | 38.7 | 58% | 0.583 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -68.1 | -43.2 | 176.1 | -178.3 | 177.5 | -179.4 | 178.1 | 0 | 113 | E739 E740 L741 | E739-K743 VanDerWaalsContact O-CB 3.26Å; E739-K743 WeakPolarHBondContact O-CB 3.35Å; E739-K743 PolarHBondContact O-N 3.32Å; E740-K743 WeakPolarHBondContact O-CB 3.46Å; E740-K743 PolarHBondContact O-N 3.46Å; L741-K743 VanDerWaalsContact C-N 3.28Å; L741-K743 PolarHBondContact O-N 3.29Å |
| 744 | Y | 93.8 | Very high | 95.9 | Very high | 88 Ų | 88 | 40.8 Ų | 40.8 | 35% | 0.345 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -99.4 | -25.6 | -175.6 | -56.2 | -69.1 | 0 | 0 | 0 | 114.8 | C717 E740 L741 V746 | C717-Y744 HydrophobicContact CB-CD1 3.63Å; C717-Y744 HydrophobicContact CB-CD2 3.4Å; C717-Y744 VanDerWaalsContact CB-CD2 3.4Å; C717-Y744 HydrophobicContact CB-CE1 3.6Å; C717-Y744 HydrophobicContact CB-CE2 3.37Å; C717-Y744 HydrophobicContact CB-CG 3.55Å; C717-Y744 VanDerWaalsContact CB-CZ 3.5Å; E740-Y744 HydrophobicContact CB-CE2 4.47Å; E740-Y744 WeakPolarHBondContact O-CD2 3.41Å; E740-Y744 PolarHBondContact O-N 3.47Å; E740-Y744 WeakPolarHBondContact OE2-CE2 3.01Å; E740-Y744 PolarHBondContact OE2-OH 3.37Å; L741-Y744 PolarHBondContact O-N 3.22Å; Y744-V746 WeakPolarHBondContact O-CG1 3.42Å; Y744-V746 PolarHBondContact O-N 3.46Å; Y744-V746 VanDerWaalsContact O-N 3.12Å |
| 745 | K | 94.7 | Very high | 95.7 | Very high | 87 Ų | 87 | 41.1 Ų | 41.1 | 38% | 0.378 | 19% | 0.19 | S | C | . | . | trans | 56.6 | 28.5 | 174.3 | -53.2 | -173.3 | 177.7 | -160.9 | 0 | 114.8 | L741 C742 E771 | L741-K745 WeakPolarHBondContact O-CA 3.49Å; L741-K745 PolarHBondContact O-N 3.41Å; C742-K745 WeakPolarHBondContact O-CE 3.34Å; C742-K745 WeakPolarHBondContact O-CG 3.43Å; K745-E771 VanDerWaalsContact CD-O 3.31Å; K745-E771 WeakPolarHBondContact CD-O 3.45Å; K745-E771 WeakPolarHBondContact CE-O 3.31Å; K745-E771 PolarHBondContact NZ-O 2.72Å | ||
| 746 | V | 94.4 | Very high | 95.4 | Very high | 24 Ų | 24 | 38.5 Ų | 38.5 | 15% | 0.145 | 18% | 0.179 | C | C | . | . | trans | -93.1 | -13.3 | -179.7 | -65.4 | 0 | 0 | 0 | 0 | 113.6 | M719 T720 Y744 | M719-V746 WeakPolarHBondContact O-CG2 3.45Å; T720-V746 WeakPolarHBondContact CG2-O 3.29Å; Y744-V746 WeakPolarHBondContact O-CG1 3.42Å; Y744-V746 PolarHBondContact O-N 3.46Å; Y744-V746 VanDerWaalsContact O-N 3.12Å | ||
| 747 | V | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -72.3 | 137 | -173.5 | 66.8 | 0 | 0 | 0 | 0 | 111.7 | V722 L741 C772 Q774 L775 | V722-V747 HydrophobicContact CG2-CG2 4.48Å; L741-V747 HydrophobicContact CB-CG1 4.24Å; L741-V747 HydrophobicContact CD1-CG1 4.4Å; L741-V747 HydrophobicContact CD1-CG2 4.44Å; L741-V747 HydrophobicContact CD2-CB 4.22Å; V747-C772 HydrophobicContact CG1-CB 4.03Å; V747-Q774 CarbonylContact O-C 3.57Å; V747-L775 HydrophobicContact CG1-CD1 4.4Å; V747-L775 HydrophobicContact CG2-CD1 4.33Å; V747-L775 PolarHBondContact O-N 2.99Å | ||
| 748 | K | 95.9 | Very high | 95.5 | Very high | 97 Ų | 97 | 39.7 Ų | 39.7 | 42% | 0.422 | 19% | 0.187 | S | C | . | . | trans | -117.9 | -28.9 | 178.9 | -58.7 | -173.5 | 177.8 | -176 | 0 | 113 | T720 Q774 A776 V777 | T720-K748 WeakPolarHBondContact O-CA 3.26Å; T720-K748 WeakPolarHBondContact O-CB 3.31Å; T720-K748 PolarHBondContact O-N 3.2Å; K748-Q774 WeakPolarHBondContact CA-O 3.44Å; K748-Q774 HydrophobicContact CG-CB 4.14Å; K748-A776 WeakPolarHBondContact O-CB 3.29Å; K748-A776 PolarHBondContact O-N 2.96Å; K748-V777 PolarHBondContact O-N 3.07Å | ||
| 749 | V | 97.1 | Very high | 95.5 | Very high | 28 Ų | 28 | 41 Ų | 41 | 17% | 0.17 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 125.6 | -179.2 | 176.1 | 0 | 0 | 0 | 0 | 108.6 | T720 V721 V722 R723 V777 | T720-V749 PolarHBondContact O-N 2.89Å; V721-V749 HydrophobicContact CB-CB 4.15Å; V721-V749 HydrophobicContact CG1-CB 3.72Å; V721-V749 HydrophobicContact CG1-CG1 3.82Å; V721-V749 HydrophobicContact CG1-CG2 4.5Å; V721-V749 HydrophobicContact CG2-CB 3.94Å; V721-V749 HydrophobicContact CG2-CG2 4.01Å; V722-V749 PolarHBondContact N-O 3.05Å; R723-V749 HydrophobicContact CG-CG1 4.38Å; V749-V777 WeakPolarHBondContact CA-O 3.47Å; V749-V777 HydrophobicContact CB-CB 4.35Å; V749-V777 HydrophobicContact CG1-CB 4.07Å; V749-V777 HydrophobicContact CG1-CG1 4.33Å; V749-V777 HydrophobicContact CG2-CB 4.05Å; V749-V777 HydrophobicContact CG2-CG2 4.07Å |
| 750 | L | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 115.6 | 174.4 | -178.6 | 62.1 | 0 | 0 | 0 | 109.7 | V722 L741 L752 V765 I768 L775 V777 V778 K779 | V722-L750 HydrophobicContact CB-CD1 4.38Å; V722-L750 HydrophobicContact CG1-CD1 4.47Å; V722-L750 CarbonylContact O-C 3.49Å; V722-L750 WeakPolarHBondContact O-CA 2.98Å; L741-L750 HydrophobicContact CD1-CD1 4.28Å; L750-L752 HydrophobicContact CD1-CD1 4.13Å; L750-L752 HydrophobicContact CD1-CD2 4.37Å; L750-L752 HydrophobicContact CD1-CG 4.07Å; L750-L752 HydrophobicContact CD2-CD1 3.92Å; L750-L752 HydrophobicContact CG-CD1 3.93Å; L750-L752 HydrophobicContact CG-CG 4.08Å; L750-V765 HydrophobicContact CD2-CG1 4.36Å; L750-I768 HydrophobicContact CD2-CD1 4.26Å; L750-I768 HydrophobicContact CD2-CG2 4.39Å; L750-L775 HydrophobicContact CB-CD1 4.03Å; L750-V777 PolarHBondContact N-O 3.27Å; L750-V778 CarbonylContact O-C 3.4Å; L750-V778 WeakPolarHBondContact O-CA 3.19Å; L750-K779 PolarHBondContact O-N 3.06Å |
| 751 | G | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 119.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V722 L724 | V722-G751 PolarHBondContact O-N 3.09Å; L724-G751 PolarHBondContact N-O 3.5Å |
| 752 | L | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -138.2 | 19.3 | -175.9 | -64.3 | 173.3 | 0 | 0 | 0 | 111.6 | L724 L729 I734 L737 L750 N755 I757 V765 K779 I780 N783 | L724-L752 HydrophobicContact CB-CD2 4.45Å; L729-L752 HydrophobicContact CD1-CD2 4.12Å; I734-L752 HydrophobicContact CD1-CD1 3.69Å; I734-L752 HydrophobicContact CD1-CD2 3.95Å; I734-L752 HydrophobicContact CD1-CG 4.44Å; L737-L752 HydrophobicContact CD1-CD2 4.05Å; L750-L752 HydrophobicContact CD1-CD1 4.13Å; L750-L752 HydrophobicContact CD1-CD2 4.37Å; L750-L752 HydrophobicContact CD1-CG 4.07Å; L750-L752 HydrophobicContact CD2-CD1 3.92Å; L750-L752 HydrophobicContact CG-CD1 3.93Å; L750-L752 HydrophobicContact CG-CG 4.08Å; L752-N755 PolarHBondContact O-ND2 3.47Å; L752-N755 VanDerWaalsContact O-ND2 3.09Å; L752-I757 HydrophobicContact CB-CD1 3.78Å; L752-I757 HydrophobicContact CD1-CD1 4.04Å; L752-I757 HydrophobicContact CG-CD1 4.33Å; L752-V765 HydrophobicContact CD1-CG2 3.91Å; L752-K779 CarbonylContact C-O 3.38Å; L752-K779 WeakPolarHBondContact CA-O 3.16Å; L752-K779 PolarHBondContact N-O 3.35Å; L752-I780 HydrophobicContact CB-CG1 4.31Å; L752-N783 PolarHBondContact O-ND2 3.44Å | ||
| 753 | Y | 94.4 | Very high | 95.9 | Very high | 73 Ų | 73 | 43 Ų | 43 | 29% | 0.286 | 21% | 0.21 | S | C | . | . | trans | -60.6 | 139.9 | -179.1 | 162.9 | -102.8 | 0 | 0 | 0 | 111.4 | C725 V726 N755 K779 G781 K782 W809 | C725-Y753 CarbonylContact C-O 3.6Å; C725-Y753 WeakPolarHBondContact CA-O 3.45Å; C725-Y753 HydrophobicContact CB-CD1 4.1Å; C725-Y753 WeakPolarHBondContact CB-O 3.4Å; V726-Y753 HydrophobicContact CG2-CD1 3.96Å; V726-Y753 HydrophobicContact CG2-CE1 3.9Å; V726-Y753 PolarHBondContact N-O 2.71Å; Y753-N755 PolarHBondContact O-ND2 2.75Å; Y753-K779 PolarHBondContact N-O 3.48Å; Y753-G781 CarbonylContact C-O 3.46Å; Y753-G781 VanDerWaalsContact CA-O 3.3Å; Y753-G781 WeakPolarHBondContact CA-O 3.25Å; Y753-G781 WeakPolarHBondContact CD2-O 3.36Å; Y753-K782 HydrophobicContact CD2-CB 4.09Å; Y753-K782 HydrophobicContact CE2-CB 3.56Å; Y753-K782 HydrophobicContact CE2-CD 4.34Å; Y753-W809 AromaticContact CE2-CE3 3.56Å; Y753-W809 HydrophobicContact CE2-CE3 3.56Å; Y753-W809 AromaticContact CE2-CZ3 3.57Å; Y753-W809 HydrophobicContact CE2-CZ3 3.57Å; Y753-W809 AromaticContact CZ-CZ3 3.81Å; Y753-W809 WeakPolarHBondContact OH-CZ3 3.4Å | ||
| 754 | N | 90.8 | Very high | 96 | Very high | 44 Ų | 44 | 38.7 Ų | 38.7 | 24% | 0.235 | 19% | 0.193 | C | C | . | . | S | Bend | trans | 55.3 | 70.7 | 178.3 | -163.5 | 25.4 | 0 | 0 | 0 | 113.7 | V726 N727 G781 K782 | V726-N754 VanDerWaalsContact CA-O 3.26Å; V726-N754 WeakPolarHBondContact CA-O 3.37Å; V726-N754 HydrophobicContact CG2-CB 3.93Å; V726-N754 PolarHBondContact N-O 3.01Å; N727-N754 PolarHBondContact N-O 3.34Å; N754-G781 PolarHBondContact N-O 2.79Å; N754-K782 VanDerWaalsContact CA-O 3.28Å; N754-K782 WeakPolarHBondContact CA-O 3.4Å; N754-K782 HydrophobicContact CB-CB 4.15Å; N754-K782 HydrophobicContact CB-CD 4.12Å; N754-K782 HydrophobicContact CB-CG 4.5Å; N754-K782 WeakPolarHBondContact OD1-CD 3.45Å |
| 755 | N | 92.7 | Very high | 96.2 | Very high | 8 Ų | 8 | 34.5 Ų | 34.5 | 4% | 0.043 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -138.5 | -168.8 | 175.5 | -79.2 | -78 | 0 | 0 | 0 | 109.1 | L724 N727 L729 L752 Y753 I757 N783 | L724-N755 PolarHBondContact O-ND2 3.27Å; N727-N755 WeakPolarHBondContact CA-OD1 3.38Å; N727-N755 WeakPolarHBondContact CB-OD1 3.4Å; N727-N755 PolarHBondContact N-OD1 3.43Å; N727-N755 PolarHBondContact O-OD1 3.38Å; L729-N755 HydrophobicContact CB-CB 4.2Å; L729-N755 WeakPolarHBondContact CB-OD1 3.48Å; L729-N755 VanDerWaalsContact CG-OD1 3.29Å; L729-N755 WeakPolarHBondContact CG-OD1 3.33Å; L729-N755 PolarHBondContact N-OD1 3.29Å; L729-N755 VanDerWaalsContact N-OD1 3.1Å; L752-N755 PolarHBondContact O-ND2 3.47Å; L752-N755 VanDerWaalsContact O-ND2 3.09Å; Y753-N755 PolarHBondContact O-ND2 2.75Å; N755-I757 HydrophobicContact CB-CD1 4.28Å; N755-I757 HydrophobicContact CB-CG1 4.18Å; N755-N783 WeakPolarHBondContact CA-OD1 3.47Å; N755-N783 VanDerWaalsContact CB-OD1 3.29Å; N755-N783 WeakPolarHBondContact CB-OD1 3.44Å; N755-N783 PolarHBondContact N-OD1 2.77Å; N755-N783 PolarHBondContact O-OD1 3.22Å |
| 756 | N | 92.1 | Very high | 96.4 | Very high | 62 Ų | 62 | 30.6 Ų | 30.6 | 33% | 0.332 | 16% | 0.16 | S | C | . | . | trans | -106.1 | 38.6 | 179.8 | -64.5 | -62 | 0 | 0 | 0 | 112.8 | L729 T730 | L729-N756 CarbonylContact O-C 3.47Å; L729-N756 WeakPolarHBondContact O-CA 3.3Å; L729-N756 WeakPolarHBondContact O-CB 3.46Å; L729-N756 PolarHBondContact O-N 3.37Å; T730-N756 HydrophobicContact CG2-CB 4.38Å | ||
| 757 | I | 96.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -79.8 | 132.8 | -178.2 | -56.2 | 167.1 | 0 | 0 | 0 | 110 | I734 L752 N755 I780 N783 K784 | I734-I757 HydrophobicContact CD1-CD1 3.71Å; I734-I757 HydrophobicContact CD1-CG1 4.12Å; I734-I757 HydrophobicContact CG1-CD1 4.05Å; I734-I757 HydrophobicContact CG1-CG1 4.01Å; I734-I757 HydrophobicContact CG1-CG2 4.23Å; L752-I757 HydrophobicContact CB-CD1 3.78Å; L752-I757 HydrophobicContact CD1-CD1 4.04Å; L752-I757 HydrophobicContact CG-CD1 4.33Å; N755-I757 HydrophobicContact CB-CD1 4.28Å; N755-I757 HydrophobicContact CB-CG1 4.18Å; I757-I780 HydrophobicContact CD1-CD1 4.37Å; I757-I780 HydrophobicContact CD1-CG1 4.18Å; I757-I780 HydrophobicContact CG2-CD1 4.43Å; I757-N783 HydrophobicContact CB-CB 4.13Å; I757-N783 VanDerWaalsContact CB-OD1 3.31Å; I757-N783 WeakPolarHBondContact CB-OD1 3.24Å; I757-N783 WeakPolarHBondContact CG1-OD1 3.34Å; I757-N783 PolarHBondContact N-OD1 2.98Å; I757-N783 VanDerWaalsContact N-OD1 3.08Å; I757-K784 CarbonylContact O-C 3.56Å; I757-K784 WeakPolarHBondContact O-CA 3.27Å; I757-K784 PolarHBondContact O-N 2.82Å | ||
| 758 | T | 97.4 | Very high | 96.6 | Very high | 48 Ų | 48 | 33.2 Ų | 33.2 | 29% | 0.294 | 17% | 0.171 | S | C | . | . | trans | -105.7 | -171.3 | 177.3 | 83 | 0 | 0 | 0 | 0 | 111.5 | D731 A760 G761 A762 K784 | D731-T758 PolarHBondContact OD1-N 3.35Å; D731-T758 WeakPolarHBondContact OD2-CB 3.44Å; D731-T758 PolarHBondContact OD2-OG1 2.85Å; T758-A760 PolarHBondContact O-N 2.69Å; T758-A760 PolarHBondContact OG1-N 3.24Å; T758-G761 PolarHBondContact O-N 2.98Å; T758-A762 PolarHBondContact O-N 3Å; T758-K784 HydrophobicContact CG2-CB 4.42Å | ||
| 759 | D | 97.8 | Very high | 96.6 | Very high | 31 Ų | 31 | 28.7 Ų | 28.7 | 17% | 0.166 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.1 | -31 | 174.5 | -61.9 | -36.2 | 0 | 0 | 0 | 113.5 | A762 K763 T786 V788 G789 | D759-A762 PolarHBondContact O-N 2.66Å; D759-K763 PolarHBondContact O-N 3.06Å; D759-T786 VanDerWaalsContact CG-OG1 3.23Å; D759-T786 PolarHBondContact OD1-N 3.44Å; D759-T786 PolarHBondContact OD1-OG1 2.86Å; D759-T786 WeakPolarHBondContact OD2-CB 3.46Å; D759-T786 WeakPolarHBondContact OD2-CG2 3.5Å; D759-T786 PolarHBondContact OD2-OG1 3.4Å; D759-V788 HydrophobicContact CB-CB 4.39Å; D759-V788 HydrophobicContact CB-CG1 4.44Å; D759-G789 VanDerWaalsContact OD1-CA 3.26Å; D759-G789 WeakPolarHBondContact OD1-CA 3.23Å; D759-G789 PolarHBondContact OD1-N 3.35Å |
| 760 | A | 97.8 | Very high | 96.5 | Very high | 58 Ų | 58 | 31.5 Ų | 31.5 | 48% | 0.479 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -65.9 | -46 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | T758 K763 L764 | T758-A760 PolarHBondContact O-N 2.69Å; T758-A760 PolarHBondContact OG1-N 3.24Å; A760-K763 WeakPolarHBondContact O-CB 3.23Å; A760-K763 PolarHBondContact O-N 3.33Å; A760-L764 PolarHBondContact O-N 2.75Å |
| 761 | G | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.3 | -36.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D731 T758 K763 L764 V765 | D731-G761 VanDerWaalsContact CG-N 3.32Å; D731-G761 VanDerWaalsContact OD1-CA 3.22Å; D731-G761 WeakPolarHBondContact OD1-CA 3.47Å; D731-G761 PolarHBondContact OD1-N 3.18Å; T758-G761 PolarHBondContact O-N 2.98Å; G761-K763 VanDerWaalsContact C-N 3.28Å; G761-K763 PolarHBondContact O-N 3.09Å; G761-L764 WeakPolarHBondContact O-CB 3.42Å; G761-L764 PolarHBondContact O-N 2.77Å; G761-V765 PolarHBondContact O-N 3.31Å |
| 762 | A | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.4 | -38.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | T758 D759 L764 V765 A766 I785 L793 | T758-A762 PolarHBondContact O-N 3Å; D759-A762 PolarHBondContact O-N 2.66Å; A762-L764 VanDerWaalsContact C-N 3.33Å; A762-L764 PolarHBondContact O-N 3.41Å; A762-V765 PolarHBondContact O-N 3.22Å; A762-A766 WeakPolarHBondContact O-CB 3.43Å; A762-A766 PolarHBondContact O-N 3.44Å; A762-I785 HydrophobicContact CB-CD1 4.12Å; A762-I785 HydrophobicContact CB-CG1 4.22Å; A762-I785 HydrophobicContact CB-CG2 4.17Å; A762-L793 HydrophobicContact CB-CD1 4.12Å; A762-L793 HydrophobicContact CB-CG 4.33Å |
| 763 | K | 98.4 | Very high | 96.1 | Very high | 120 Ų | 120 | 39 Ų | 39 | 52% | 0.522 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.4 | -39.9 | 172.8 | -174.8 | -175.5 | 175.5 | -174.9 | 0 | 112.4 | D759 A760 G761 A766 Q767 Y792 | D759-K763 PolarHBondContact O-N 3.06Å; A760-K763 WeakPolarHBondContact O-CB 3.23Å; A760-K763 PolarHBondContact O-N 3.33Å; G761-K763 VanDerWaalsContact C-N 3.28Å; G761-K763 PolarHBondContact O-N 3.09Å; K763-A766 WeakPolarHBondContact O-CB 3.47Å; K763-A766 PolarHBondContact O-N 3.24Å; K763-Q767 PolarHBondContact O-N 3.43Å; K763-Q767 VanDerWaalsContact O-N 3.08Å; K763-Y792 HydrophobicContact CB-CD2 3.72Å; K763-Y792 HydrophobicContact CB-CE2 4.02Å; K763-Y792 HydrophobicContact CB-CG 4.1Å; K763-Y792 HydrophobicContact CD-CE1 4.45Å; K763-Y792 HydrophobicContact CD-CE2 4.27Å; K763-Y792 HydrophobicContact CG-CD1 4.31Å; K763-Y792 HydrophobicContact CG-CD2 4.16Å; K763-Y792 HydrophobicContact CG-CE1 4.4Å; K763-Y792 HydrophobicContact CG-CE2 4.25Å; K763-Y792 HydrophobicContact CG-CG 4.21Å |
| 764 | L | 98.4 | Very high | 96.1 | Very high | 44 Ų | 44 | 40.2 Ų | 40.2 | 23% | 0.23 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -71 | -38.5 | 177 | -67.1 | 168.2 | 0 | 0 | 0 | 111.6 | I734 E735 A738 A760 G761 A762 A766 Q767 I768 | I734-L764 HydrophobicContact CB-CB 4.5Å; I734-L764 HydrophobicContact CB-CD1 4.48Å; I734-L764 HydrophobicContact CG2-CB 3.6Å; I734-L764 HydrophobicContact CG2-CD1 4.43Å; E735-L764 HydrophobicContact CB-CD1 4.02Å; A738-L764 HydrophobicContact CB-CB 4.19Å; A738-L764 HydrophobicContact CB-CD2 4.31Å; A760-L764 PolarHBondContact O-N 2.75Å; G761-L764 WeakPolarHBondContact O-CB 3.42Å; G761-L764 PolarHBondContact O-N 2.77Å; A762-L764 VanDerWaalsContact C-N 3.33Å; A762-L764 PolarHBondContact O-N 3.41Å; L764-A766 VanDerWaalsContact C-N 3.3Å; L764-A766 PolarHBondContact O-N 3.04Å; L764-Q767 WeakPolarHBondContact O-CB 3.36Å; L764-Q767 PolarHBondContact O-N 3.46Å; L764-Q767 VanDerWaalsContact O-N 3.16Å; L764-I768 WeakPolarHBondContact O-CG1 3.22Å; L764-I768 PolarHBondContact O-N 3.46Å; L764-I768 VanDerWaalsContact O-N 3.07Å |
| 765 | V | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63 | -39.1 | 171.2 | 177.2 | 0 | 0 | 0 | 0 | 111.2 | I734 L750 L752 G761 A762 Q767 I768 I769 V778 I780 L793 | I734-V765 HydrophobicContact CG2-CG2 3.57Å; L750-V765 HydrophobicContact CD2-CG1 4.36Å; L752-V765 HydrophobicContact CD1-CG2 3.91Å; G761-V765 PolarHBondContact O-N 3.31Å; A762-V765 PolarHBondContact O-N 3.22Å; V765-Q767 VanDerWaalsContact C-N 3.28Å; V765-Q767 PolarHBondContact O-N 2.82Å; V765-I768 WeakPolarHBondContact O-CB 3.2Å; V765-I768 PolarHBondContact O-N 3.17Å; V765-I768 VanDerWaalsContact O-N 3.11Å; V765-I769 HydrophobicContact CG1-CD1 4.17Å; V765-I769 HydrophobicContact CG1-CG1 4.48Å; V765-I769 WeakPolarHBondContact O-CG1 3.46Å; V765-I769 PolarHBondContact O-N 2.82Å; V765-V778 HydrophobicContact CG1-CG1 4.2Å; V765-I780 HydrophobicContact CB-CD1 4.13Å; V765-I780 HydrophobicContact CG1-CD1 4.15Å; V765-I780 HydrophobicContact CG2-CD1 3.76Å; V765-L793 HydrophobicContact CB-CD2 4.11Å; V765-L793 HydrophobicContact CG1-CD2 3.91Å |
| 766 | A | 97.7 | Very high | 96.6 | Very high | 5 Ų | 5 | 38.8 Ų | 38.8 | 4% | 0.041 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.6 | -40.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A762 K763 L764 I768 I769 E770 Y792 L793 A796 | A762-A766 WeakPolarHBondContact O-CB 3.43Å; A762-A766 PolarHBondContact O-N 3.44Å; K763-A766 WeakPolarHBondContact O-CB 3.47Å; K763-A766 PolarHBondContact O-N 3.24Å; L764-A766 VanDerWaalsContact C-N 3.3Å; L764-A766 PolarHBondContact O-N 3.04Å; A766-I768 PolarHBondContact O-N 3.15Å; A766-I769 WeakPolarHBondContact O-CB 3.29Å; A766-I769 PolarHBondContact O-N 3.36Å; A766-E770 WeakPolarHBondContact O-CG 3.36Å; A766-E770 PolarHBondContact O-N 3.32Å; A766-Y792 WeakPolarHBondContact CB-O 3.41Å; A766-L793 HydrophobicContact CB-CD2 4.26Å; A766-A796 HydrophobicContact CB-CB 3.68Å; A766-A796 VanDerWaalsContact O-CB 3.31Å; A766-A796 WeakPolarHBondContact O-CB 3.33Å |
| 767 | Q | 97.6 | Very high | 96.8 | Very high | 80 Ų | 80 | 36.5 Ų | 36.5 | 37% | 0.374 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.3 | -44.9 | 172.4 | -175 | -175.2 | -8.4 | 0 | 0 | 112.1 | K763 L764 V765 I769 E770 E771 | K763-Q767 PolarHBondContact O-N 3.43Å; K763-Q767 VanDerWaalsContact O-N 3.08Å; L764-Q767 WeakPolarHBondContact O-CB 3.36Å; L764-Q767 PolarHBondContact O-N 3.46Å; L764-Q767 VanDerWaalsContact O-N 3.16Å; V765-Q767 VanDerWaalsContact C-N 3.28Å; V765-Q767 PolarHBondContact O-N 2.82Å; Q767-I769 VanDerWaalsContact C-N 3.29Å; Q767-I769 PolarHBondContact O-N 3.34Å; Q767-E770 PolarHBondContact O-N 2.78Å; Q767-E771 HydrophobicContact CG-CG 4.36Å; Q767-E771 VanDerWaalsContact CG-OE1 3.24Å; Q767-E771 WeakPolarHBondContact CG-OE1 3.28Å; Q767-E771 PolarHBondContact NE2-OE1 2.8Å; Q767-E771 WeakPolarHBondContact O-CB 3.21Å; Q767-E771 PolarHBondContact O-N 3.3Å |
| 768 | I | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.1 | -42.3 | 176.7 | -61.2 | 168.1 | 0 | 0 | 0 | 110.8 | L737 A738 L741 L750 L764 V765 A766 E770 E771 C772 L775 | L737-I768 HydrophobicContact CB-CD1 4.41Å; A738-I768 HydrophobicContact CB-CD1 4.05Å; A738-I768 HydrophobicContact CB-CG1 3.94Å; L741-I768 HydrophobicContact CB-CG2 4.47Å; L741-I768 HydrophobicContact CD1-CD1 4.45Å; L750-I768 HydrophobicContact CD2-CD1 4.26Å; L750-I768 HydrophobicContact CD2-CG2 4.39Å; L764-I768 WeakPolarHBondContact O-CG1 3.22Å; L764-I768 PolarHBondContact O-N 3.46Å; L764-I768 VanDerWaalsContact O-N 3.07Å; V765-I768 WeakPolarHBondContact O-CB 3.2Å; V765-I768 PolarHBondContact O-N 3.17Å; V765-I768 VanDerWaalsContact O-N 3.11Å; A766-I768 PolarHBondContact O-N 3.15Å; I768-E770 PolarHBondContact O-N 2.9Å; I768-E771 PolarHBondContact O-N 3.21Å; I768-C772 HydrophobicContact CG2-CB 4.47Å; I768-C772 WeakPolarHBondContact O-CB 3.45Å; I768-C772 PolarHBondContact O-N 3.37Å; I768-C772 PolarHBondContact O-SG 2.88Å; I768-C772 VanDerWaalsContact O-SG 3.4Å; I768-L775 HydrophobicContact CG2-CD2 3.99Å |
| 769 | I | 97 | Very high | 96.9 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.9 | -42.5 | 177.1 | -69.8 | 171.2 | 0 | 0 | 0 | 111.9 | V765 A766 Q767 L775 V778 L793 A796 I803 | V765-I769 HydrophobicContact CG1-CD1 4.17Å; V765-I769 HydrophobicContact CG1-CG1 4.48Å; V765-I769 WeakPolarHBondContact O-CG1 3.46Å; V765-I769 PolarHBondContact O-N 2.82Å; A766-I769 WeakPolarHBondContact O-CB 3.29Å; A766-I769 PolarHBondContact O-N 3.36Å; Q767-I769 VanDerWaalsContact C-N 3.29Å; Q767-I769 PolarHBondContact O-N 3.34Å; I769-L775 HydrophobicContact CG1-CD2 4.06Å; I769-V778 HydrophobicContact CD1-CG2 4.32Å; I769-V778 HydrophobicContact CG1-CG2 4.12Å; I769-L793 HydrophobicContact CD1-CD2 3.98Å; I769-A796 HydrophobicContact CB-CB 4.04Å; I769-A796 HydrophobicContact CG2-CB 3.82Å; I769-I803 HydrophobicContact CB-CD1 4.15Å; I769-I803 HydrophobicContact CD1-CD1 4.1Å; I769-I803 HydrophobicContact CG1-CD1 3.86Å; I769-I803 HydrophobicContact CG2-CD1 3.36Å |
| 770 | E | 95.3 | Very high | 96.8 | Very high | 86 Ų | 86 | 35.3 Ų | 35.3 | 40% | 0.402 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -71.4 | -37.9 | 179.6 | -68.2 | -171.3 | -174 | 0 | 0 | 112.2 | A766 Q767 I768 A796 K799 | A766-E770 WeakPolarHBondContact O-CG 3.36Å; A766-E770 PolarHBondContact O-N 3.32Å; Q767-E770 PolarHBondContact O-N 2.78Å; I768-E770 PolarHBondContact O-N 2.9Å; E770-A796 HydrophobicContact CG-CB 3.67Å; E770-K799 HydrophobicContact CG-CD 4.16Å; E770-K799 WeakPolarHBondContact OE1-CD 3.49Å; E770-K799 IonicContact OE1-NZ 2.7Å; E770-K799 PolarHBondContact OE1-NZ 3.09Å; E770-K799 IonicContact OE2-NZ 2.74Å; E770-K799 PolarHBondContact OE2-NZ 3.47Å |
| 771 | E | 95.7 | Very high | 96.7 | Very high | 71 Ų | 71 | 32.7 Ų | 32.7 | 33% | 0.332 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -92.4 | -19.1 | -171 | -69.6 | -164.7 | -137.3 | 0 | 0 | 115.2 | C742 K745 Q767 I768 P773 | C742-E771 HydrophobicContact CB-CB 4.23Å; K745-E771 VanDerWaalsContact CD-O 3.31Å; K745-E771 WeakPolarHBondContact CD-O 3.45Å; K745-E771 WeakPolarHBondContact CE-O 3.31Å; K745-E771 PolarHBondContact NZ-O 2.72Å; Q767-E771 HydrophobicContact CG-CG 4.36Å; Q767-E771 VanDerWaalsContact CG-OE1 3.24Å; Q767-E771 WeakPolarHBondContact CG-OE1 3.28Å; Q767-E771 PolarHBondContact NE2-OE1 2.8Å; Q767-E771 WeakPolarHBondContact O-CB 3.21Å; Q767-E771 PolarHBondContact O-N 3.3Å; I768-E771 PolarHBondContact O-N 3.21Å; E771-P773 VanDerWaalsContact O-CD 3.24Å; E771-P773 WeakPolarHBondContact O-CD 3.47Å |
| 772 | C | 95.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.007 | 18% | 0.183 | C | C | . | . | trans | -101.9 | 96.6 | -176.4 | -65.1 | 0 | 0 | 0 | 0 | 112.2 | V747 I768 Q774 L775 | V747-C772 HydrophobicContact CG1-CB 4.03Å; I768-C772 HydrophobicContact CG2-CB 4.47Å; I768-C772 WeakPolarHBondContact O-CB 3.45Å; I768-C772 PolarHBondContact O-N 3.37Å; I768-C772 PolarHBondContact O-SG 2.88Å; I768-C772 VanDerWaalsContact O-SG 3.4Å; C772-Q774 PolarHBondContact O-N 2.66Å; C772-Q774 VanDerWaalsContact O-N 3.13Å; C772-L775 HydrophobicContact CB-CB 3.95Å; C772-L775 WeakPolarHBondContact O-CB 3.39Å; C772-L775 PolarHBondContact O-N 2.7Å; C772-L775 VanDerWaalsContact O-N 3.1Å | ||
| 773 | P | 92.6 | Very high | 96.4 | Very high | 86 Ų | 86 | 37.6 Ų | 37.6 | 56% | 0.558 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -11 | -172.5 | 31 | -38.2 | 0 | 0 | 0 | 114.5 | E771 S802 | E771-P773 VanDerWaalsContact O-CD 3.24Å; E771-P773 WeakPolarHBondContact O-CD 3.47Å; P773-S802 WeakPolarHBondContact O-CB 3.25Å; P773-S802 PolarHBondContact O-OG 2.71Å |
| 774 | Q | 94.1 | Very high | 96.2 | Very high | 98 Ų | 98 | 38 Ų | 38 | 46% | 0.458 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -4.9 | 176.6 | -57.8 | -167.8 | 12.7 | 0 | 0 | 112.7 | V747 K748 C772 A776 | V747-Q774 CarbonylContact O-C 3.57Å; K748-Q774 WeakPolarHBondContact CA-O 3.44Å; K748-Q774 HydrophobicContact CG-CB 4.14Å; C772-Q774 PolarHBondContact O-N 2.66Å; C772-Q774 VanDerWaalsContact O-N 3.13Å; Q774-A776 PolarHBondContact O-N 3.45Å |
| 775 | L | 96.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -70.2 | 114.8 | -177.2 | -174.9 | 59.7 | 0 | 0 | 0 | 109.8 | V747 L750 I768 I769 C772 V778 S802 I803 | V747-L775 HydrophobicContact CG1-CD1 4.4Å; V747-L775 HydrophobicContact CG2-CD1 4.33Å; V747-L775 PolarHBondContact O-N 2.99Å; L750-L775 HydrophobicContact CB-CD1 4.03Å; I768-L775 HydrophobicContact CG2-CD2 3.99Å; I769-L775 HydrophobicContact CG1-CD2 4.06Å; C772-L775 HydrophobicContact CB-CB 3.95Å; C772-L775 WeakPolarHBondContact O-CB 3.39Å; C772-L775 PolarHBondContact O-N 2.7Å; C772-L775 VanDerWaalsContact O-N 3.1Å; L775-V778 HydrophobicContact CD1-CG2 4.1Å; L775-V778 HydrophobicContact CD2-CG2 3.63Å; L775-V778 HydrophobicContact CG-CG2 3.83Å; L775-S802 CarbonylContact O-C 3.58Å; L775-S802 VanDerWaalsContact O-CB 3.31Å; L775-S802 WeakPolarHBondContact O-CB 3.43Å; L775-S802 PolarHBondContact O-OG 3.14Å; L775-I803 WeakPolarHBondContact O-CG1 3.48Å; L775-I803 PolarHBondContact O-N 3.36Å | ||
| 776 | A | 96.1 | Very high | 96.1 | Very high | 22 Ų | 22 | 38.2 Ų | 38.2 | 18% | 0.182 | 19% | 0.192 | C | C | . | . | trans | -111 | -35.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | K748 Q774 F804 D805 | K748-A776 WeakPolarHBondContact O-CB 3.29Å; K748-A776 PolarHBondContact O-N 2.96Å; Q774-A776 PolarHBondContact O-N 3.45Å; A776-F804 HydrophobicContact CB-CD1 3.72Å; A776-F804 HydrophobicContact CB-CE1 3.8Å; A776-F804 WeakPolarHBondContact O-CD1 3.4Å; A776-F804 PolarHBondContact O-N 3.33Å; A776-D805 PolarHBondContact O-N 3.5Å | ||
| 777 | V | 96.9 | Very high | 96.1 | Very high | 15 Ų | 15 | 39.6 Ų | 39.6 | 9% | 0.091 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 129 | -177.9 | -174.7 | 0 | 0 | 0 | 0 | 110.6 | K748 V749 L750 K779 F804 D805 | K748-V777 PolarHBondContact O-N 3.07Å; V749-V777 WeakPolarHBondContact CA-O 3.47Å; V749-V777 HydrophobicContact CB-CB 4.35Å; V749-V777 HydrophobicContact CG1-CB 4.07Å; V749-V777 HydrophobicContact CG1-CG1 4.33Å; V749-V777 HydrophobicContact CG2-CB 4.05Å; V749-V777 HydrophobicContact CG2-CG2 4.07Å; L750-V777 PolarHBondContact N-O 3.27Å; V777-K779 HydrophobicContact CG1-CD 4.45Å; V777-K779 HydrophobicContact CG1-CG 4.21Å; V777-F804 HydrophobicContact CG2-CD1 4.16Å; V777-F804 HydrophobicContact CG2-CE1 3.22Å; V777-F804 HydrophobicContact CG2-CZ 3.44Å; V777-F804 VanDerWaalsContact CG2-CZ 3.44Å; V777-D805 WeakPolarHBondContact CA-O 3.42Å; V777-D805 HydrophobicContact CG1-CB 4.25Å; V777-D805 HydrophobicContact CG2-CB 4.27Å |
| 778 | V | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 124.9 | 171 | -178.9 | 0 | 0 | 0 | 0 | 109.9 | L750 V765 I769 L775 I803 D805 L806 G807 | L750-V778 CarbonylContact O-C 3.4Å; L750-V778 WeakPolarHBondContact O-CA 3.19Å; V765-V778 HydrophobicContact CG1-CG1 4.2Å; I769-V778 HydrophobicContact CD1-CG2 4.32Å; I769-V778 HydrophobicContact CG1-CG2 4.12Å; L775-V778 HydrophobicContact CD1-CG2 4.1Å; L775-V778 HydrophobicContact CD2-CG2 3.63Å; L775-V778 HydrophobicContact CG-CG2 3.83Å; V778-I803 HydrophobicContact CG2-CD1 4.34Å; V778-D805 PolarHBondContact N-O 3.36Å; V778-L806 HydrophobicContact CB-CD1 3.82Å; V778-L806 HydrophobicContact CG1-CD1 4.04Å; V778-L806 WeakPolarHBondContact O-CA 3.48Å; V778-G807 PolarHBondContact O-N 3.27Å |
| 779 | K | 97.3 | Very high | 96.1 | Very high | 54 Ų | 54 | 38.4 Ų | 38.4 | 24% | 0.235 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 113.9 | 174.2 | -57.2 | -63.5 | -177.9 | 179.3 | 0 | 109 | L750 L752 Y753 V777 D805 | L750-K779 PolarHBondContact O-N 3.06Å; L752-K779 CarbonylContact C-O 3.38Å; L752-K779 WeakPolarHBondContact CA-O 3.16Å; L752-K779 PolarHBondContact N-O 3.35Å; Y753-K779 PolarHBondContact N-O 3.48Å; V777-K779 HydrophobicContact CG1-CD 4.45Å; V777-K779 HydrophobicContact CG1-CG 4.21Å; K779-D805 VanDerWaalsContact CE-OD2 3.29Å; K779-D805 WeakPolarHBondContact CE-OD2 3.49Å; K779-D805 IonicContact NZ-OD1 2.75Å; K779-D805 PolarHBondContact NZ-OD1 2.77Å; K779-D805 IonicContact NZ-OD2 3.06Å; K779-D805 PolarHBondContact NZ-OD2 2.79Å |
| 780 | I | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -135.7 | 24.2 | -177.1 | -160.4 | 174.4 | 0 | 0 | 0 | 111.8 | L752 I757 V765 N783 I785 L793 G807 M808 N811 | L752-I780 HydrophobicContact CB-CG1 4.31Å; I757-I780 HydrophobicContact CD1-CD1 4.37Å; I757-I780 HydrophobicContact CD1-CG1 4.18Å; I757-I780 HydrophobicContact CG2-CD1 4.43Å; V765-I780 HydrophobicContact CB-CD1 4.13Å; V765-I780 HydrophobicContact CG1-CD1 4.15Å; V765-I780 HydrophobicContact CG2-CD1 3.76Å; I780-N783 PolarHBondContact O-ND2 3.34Å; I780-I785 HydrophobicContact CD1-CD1 3.68Å; I780-I785 HydrophobicContact CG1-CD1 3.81Å; I780-I785 HydrophobicContact CG2-CD1 4.28Å; I780-L793 HydrophobicContact CG2-CD1 4.3Å; I780-G807 PolarHBondContact N-O 3.33Å; I780-M808 HydrophobicContact CG2-CG 3.84Å; I780-N811 PolarHBondContact O-ND2 3.26Å; I780-N811 VanDerWaalsContact O-ND2 3.12Å | ||
| 781 | G | 94.4 | Very high | 96.2 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | trans | -63.8 | 162.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y753 N754 N783 G807 W809 | Y753-G781 CarbonylContact C-O 3.46Å; Y753-G781 VanDerWaalsContact CA-O 3.3Å; Y753-G781 WeakPolarHBondContact CA-O 3.25Å; Y753-G781 WeakPolarHBondContact CD2-O 3.36Å; N754-G781 PolarHBondContact N-O 2.79Å; G781-N783 PolarHBondContact O-N 2.95Å; G781-N783 PolarHBondContact O-ND2 2.58Å; G781-G807 PolarHBondContact N-O 3.32Å; G781-W809 CarbonylContact C-O 3.58Å; G781-W809 WeakPolarHBondContact CA-O 3.37Å | ||
| 782 | K | 93.6 | Very high | 96.3 | Very high | 89 Ų | 89 | 40.3 Ų | 40.3 | 39% | 0.387 | 20% | 0.2 | S | C | . | . | S | Bend | trans | 55.6 | 46 | 175.2 | -152.8 | -176.6 | 179.4 | -167.7 | 0 | 112.8 | Y753 N754 W809 G810 | Y753-K782 HydrophobicContact CD2-CB 4.09Å; Y753-K782 HydrophobicContact CE2-CB 3.56Å; Y753-K782 HydrophobicContact CE2-CD 4.34Å; N754-K782 VanDerWaalsContact CA-O 3.28Å; N754-K782 WeakPolarHBondContact CA-O 3.4Å; N754-K782 HydrophobicContact CB-CB 4.15Å; N754-K782 HydrophobicContact CB-CD 4.12Å; N754-K782 HydrophobicContact CB-CG 4.5Å; N754-K782 WeakPolarHBondContact OD1-CD 3.45Å; K782-W809 HydrophobicContact CB-CE3 4.41Å; K782-W809 HydrophobicContact CB-CZ3 4.18Å; K782-W809 HydrophobicContact CD-CH2 4.47Å; K782-W809 HydrophobicContact CD-CZ3 3.98Å; K782-W809 HydrophobicContact CG-CZ3 4.34Å; K782-W809 PolarHBondContact N-O 3.44Å; K782-G810 VanDerWaalsContact CA-O 3.3Å; K782-G810 WeakPolarHBondContact CA-O 3.2Å |
| 783 | N | 96.1 | Very high | 96.4 | Very high | 14 Ų | 14 | 40.3 Ų | 40.3 | 8% | 0.075 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -117.2 | -172.2 | 174.6 | -79.8 | -77.4 | 0 | 0 | 0 | 109.3 | L752 N755 I757 I780 G781 I785 N811 | L752-N783 PolarHBondContact O-ND2 3.44Å; N755-N783 WeakPolarHBondContact CA-OD1 3.47Å; N755-N783 VanDerWaalsContact CB-OD1 3.29Å; N755-N783 WeakPolarHBondContact CB-OD1 3.44Å; N755-N783 PolarHBondContact N-OD1 2.77Å; N755-N783 PolarHBondContact O-OD1 3.22Å; I757-N783 HydrophobicContact CB-CB 4.13Å; I757-N783 VanDerWaalsContact CB-OD1 3.31Å; I757-N783 WeakPolarHBondContact CB-OD1 3.24Å; I757-N783 WeakPolarHBondContact CG1-OD1 3.34Å; I757-N783 PolarHBondContact N-OD1 2.98Å; I757-N783 VanDerWaalsContact N-OD1 3.08Å; I780-N783 PolarHBondContact O-ND2 3.34Å; G781-N783 PolarHBondContact O-N 2.95Å; G781-N783 PolarHBondContact O-ND2 2.58Å; N783-I785 VanDerWaalsContact C-N 3.35Å; N783-I785 HydrophobicContact CB-CD1 4.19Å; N783-I785 HydrophobicContact CB-CG1 4.05Å; N783-I785 PolarHBondContact O-N 2.79Å; N783-N811 VanDerWaalsContact CA-OD1 3.31Å; N783-N811 WeakPolarHBondContact CA-OD1 3.36Å; N783-N811 WeakPolarHBondContact CB-OD1 3.43Å; N783-N811 PolarHBondContact N-OD1 3.47Å; N783-N811 PolarHBondContact O-OD1 3.28Å |
| 784 | K | 95.2 | Very high | 96.6 | Very high | 128 Ų | 128 | 36.2 Ų | 36.2 | 56% | 0.557 | 17% | 0.173 | S | C | * | . | trans | -100.6 | 41.8 | -179.6 | -59 | 178.6 | -176.2 | 175.1 | 0 | 111.2 | I757 T758 | I757-K784 CarbonylContact O-C 3.56Å; I757-K784 WeakPolarHBondContact O-CA 3.27Å; I757-K784 PolarHBondContact O-N 2.82Å; T758-K784 HydrophobicContact CG2-CB 4.42Å | ||
| 785 | I | 97.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -87.7 | 125.8 | -177 | -57.8 | 175.3 | 0 | 0 | 0 | 109.6 | A762 I780 N783 L793 M808 N811 S812 I813 | A762-I785 HydrophobicContact CB-CD1 4.12Å; A762-I785 HydrophobicContact CB-CG1 4.22Å; A762-I785 HydrophobicContact CB-CG2 4.17Å; I780-I785 HydrophobicContact CD1-CD1 3.68Å; I780-I785 HydrophobicContact CG1-CD1 3.81Å; I780-I785 HydrophobicContact CG2-CD1 4.28Å; N783-I785 VanDerWaalsContact C-N 3.35Å; N783-I785 HydrophobicContact CB-CD1 4.19Å; N783-I785 HydrophobicContact CB-CG1 4.05Å; N783-I785 PolarHBondContact O-N 2.79Å; I785-L793 HydrophobicContact CD1-CD1 4.24Å; I785-M808 HydrophobicContact CG2-CE 4.41Å; I785-N811 HydrophobicContact CB-CB 4.14Å; I785-N811 WeakPolarHBondContact CB-OD1 3.32Å; I785-S812 CarbonylContact O-C 3.49Å; I785-S812 PolarHBondContact O-N 3.43Å; I785-I813 HydrophobicContact CG2-CG2 4.25Å | ||
| 786 | T | 97.3 | Very high | 96.7 | Very high | 50 Ų | 50 | 39.6 Ų | 39.6 | 31% | 0.307 | 18% | 0.182 | S | C | . | . | trans | -101.7 | -175.3 | -179.5 | 86.7 | 0 | 0 | 0 | 0 | 110.6 | D759 V788 G789 G790 S812 | D759-T786 VanDerWaalsContact CG-OG1 3.23Å; D759-T786 PolarHBondContact OD1-N 3.44Å; D759-T786 PolarHBondContact OD1-OG1 2.86Å; D759-T786 WeakPolarHBondContact OD2-CB 3.46Å; D759-T786 WeakPolarHBondContact OD2-CG2 3.5Å; D759-T786 PolarHBondContact OD2-OG1 3.4Å; T786-V788 PolarHBondContact O-N 3.27Å; T786-V788 PolarHBondContact OG1-N 3.02Å; T786-G789 PolarHBondContact O-N 2.96Å; T786-G790 PolarHBondContact O-N 2.92Å; T786-S812 CarbonylContact C-O 3.6Å; T786-S812 WeakPolarHBondContact CA-O 3.09Å | ||
| 787 | P | 97.6 | Very high | 96.7 | Very high | 33 Ų | 33 | 38.5 Ų | 38.5 | 21% | 0.214 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.1 | -30.9 | 176.2 | -21.1 | 31.5 | 0 | 0 | 0 | 113.7 | G790 R791 S812 I813 E816 | P787-G790 PolarHBondContact O-N 2.94Å; P787-R791 WeakPolarHBondContact O-CG 3.47Å; P787-R791 PolarHBondContact O-N 2.96Å; P787-S812 VanDerWaalsContact CD-O 3.27Å; P787-S812 WeakPolarHBondContact CD-O 3.46Å; P787-I813 VanDerWaalsContact CA-O 3.25Å; P787-I813 WeakPolarHBondContact CA-O 3.49Å; P787-I813 WeakPolarHBondContact CB-O 3.28Å; P787-I813 VanDerWaalsContact CG-O 3.24Å; P787-I813 WeakPolarHBondContact CG-O 3.18Å; P787-E816 HydrophobicContact CB-CB 3.98Å |
| 788 | V | 97.7 | Very high | 96.6 | Very high | 56 Ų | 56 | 43.1 Ų | 43.1 | 34% | 0.339 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.1 | -50.4 | 178.6 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | D759 T786 G790 R791 Y792 | D759-V788 HydrophobicContact CB-CB 4.39Å; D759-V788 HydrophobicContact CB-CG1 4.44Å; T786-V788 PolarHBondContact O-N 3.27Å; T786-V788 PolarHBondContact OG1-N 3.02Å; V788-G790 VanDerWaalsContact C-N 3.35Å; V788-R791 PolarHBondContact O-N 3.17Å; V788-Y792 HydrophobicContact CG1-CD2 4.46Å; V788-Y792 HydrophobicContact CG1-CE2 3.78Å; V788-Y792 WeakPolarHBondContact O-CD2 3.36Å; V788-Y792 PolarHBondContact O-N 3.13Å |
| 789 | G | 97.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.6 | -37.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D759 T786 R791 Y792 L793 | D759-G789 VanDerWaalsContact OD1-CA 3.26Å; D759-G789 WeakPolarHBondContact OD1-CA 3.23Å; D759-G789 PolarHBondContact OD1-N 3.35Å; T786-G789 PolarHBondContact O-N 2.96Å; G789-R791 VanDerWaalsContact C-N 3.34Å; G789-R791 PolarHBondContact O-N 2.66Å; G789-Y792 PolarHBondContact O-N 3.46Å; G789-L793 PolarHBondContact O-N 3.19Å; G789-L793 VanDerWaalsContact O-N 3.11Å |
| 790 | G | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -55.1 | -45.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | T786 P787 V788 Y792 L793 A794 | T786-G790 PolarHBondContact O-N 2.92Å; P787-G790 PolarHBondContact O-N 2.94Å; V788-G790 VanDerWaalsContact C-N 3.35Å; G790-Y792 PolarHBondContact O-N 2.9Å; G790-L793 PolarHBondContact O-N 2.93Å; G790-A794 WeakPolarHBondContact O-CB 3.45Å; G790-A794 PolarHBondContact O-N 2.92Å |
| 791 | R | 97.6 | Very high | 95.9 | Very high | 103 Ų | 103 | 50.6 Ų | 50.6 | 39% | 0.389 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.6 | -42 | 175.9 | -74.9 | -166.2 | -69 | -101.7 | 0.6 | 113.4 | P787 V788 G789 L793 A794 R795 E816 A820 | P787-R791 WeakPolarHBondContact O-CG 3.47Å; P787-R791 PolarHBondContact O-N 2.96Å; V788-R791 PolarHBondContact O-N 3.17Å; G789-R791 VanDerWaalsContact C-N 3.34Å; G789-R791 PolarHBondContact O-N 2.66Å; R791-L793 VanDerWaalsContact C-N 3.34Å; R791-A794 PolarHBondContact O-N 3.26Å; R791-R795 WeakPolarHBondContact O-CB 3.42Å; R791-R795 PolarHBondContact O-N 2.84Å; R791-E816 IonicContact CZ-OE2 3.95Å; R791-E816 IonicContact NH1-OE2 3.33Å; R791-E816 PolarHBondContact NH1-OE2 2.83Å; R791-A820 HydrophobicContact CB-CB 4.46Å; R791-A820 HydrophobicContact CG-CB 3.9Å |
| 792 | Y | 98.1 | Very high | 95.8 | Very high | 95 Ų | 95 | 51 Ų | 51 | 37% | 0.373 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.6 | -46.6 | 177.1 | -68.8 | -50.9 | 0 | 0 | 0 | 111.2 | K763 A766 V788 G789 G790 R795 A796 | K763-Y792 HydrophobicContact CB-CD2 3.72Å; K763-Y792 HydrophobicContact CB-CE2 4.02Å; K763-Y792 HydrophobicContact CB-CG 4.1Å; K763-Y792 HydrophobicContact CD-CE1 4.45Å; K763-Y792 HydrophobicContact CD-CE2 4.27Å; K763-Y792 HydrophobicContact CG-CD1 4.31Å; K763-Y792 HydrophobicContact CG-CD2 4.16Å; K763-Y792 HydrophobicContact CG-CE1 4.4Å; K763-Y792 HydrophobicContact CG-CE2 4.25Å; K763-Y792 HydrophobicContact CG-CG 4.21Å; A766-Y792 WeakPolarHBondContact CB-O 3.41Å; V788-Y792 HydrophobicContact CG1-CD2 4.46Å; V788-Y792 HydrophobicContact CG1-CE2 3.78Å; V788-Y792 WeakPolarHBondContact O-CD2 3.36Å; V788-Y792 PolarHBondContact O-N 3.13Å; G789-Y792 PolarHBondContact O-N 3.46Å; G790-Y792 PolarHBondContact O-N 2.9Å; Y792-R795 PolarHBondContact O-N 3.5Å; Y792-A796 PolarHBondContact O-N 3.32Å; Y792-A796 VanDerWaalsContact O-N 3.08Å |
| 793 | L | 97.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.2 | -45.5 | 179.5 | -69.2 | 169.2 | 0 | 0 | 0 | 111.7 | A762 V765 A766 I769 I780 I785 G789 G790 R791 R795 A796 V797 M808 F821 | A762-L793 HydrophobicContact CB-CD1 4.12Å; A762-L793 HydrophobicContact CB-CG 4.33Å; V765-L793 HydrophobicContact CB-CD2 4.11Å; V765-L793 HydrophobicContact CG1-CD2 3.91Å; A766-L793 HydrophobicContact CB-CD2 4.26Å; I769-L793 HydrophobicContact CD1-CD2 3.98Å; I780-L793 HydrophobicContact CG2-CD1 4.3Å; I785-L793 HydrophobicContact CD1-CD1 4.24Å; G789-L793 PolarHBondContact O-N 3.19Å; G789-L793 VanDerWaalsContact O-N 3.11Å; G790-L793 PolarHBondContact O-N 2.93Å; R791-L793 VanDerWaalsContact C-N 3.34Å; L793-R795 VanDerWaalsContact C-N 3.34Å; L793-R795 PolarHBondContact O-N 3.31Å; L793-A796 PolarHBondContact O-N 3.37Å; L793-V797 WeakPolarHBondContact O-CB 3.5Å; L793-V797 WeakPolarHBondContact O-CG2 3.33Å; L793-V797 PolarHBondContact O-N 2.8Å; L793-M808 HydrophobicContact CB-SD 4.45Å; L793-M808 HydrophobicContact CD1-CE 3.39Å; L793-M808 HydrophobicContact CD1-SD 3.91Å; L793-F821 HydrophobicContact CB-CZ 4.17Å |
| 794 | A | 96.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.5 | -43.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G790 R791 A796 V797 K798 A820 F821 A824 | G790-A794 WeakPolarHBondContact O-CB 3.45Å; G790-A794 PolarHBondContact O-N 2.92Å; R791-A794 PolarHBondContact O-N 3.26Å; A794-A796 VanDerWaalsContact C-N 3.34Å; A794-A796 PolarHBondContact O-N 3.14Å; A794-V797 PolarHBondContact O-N 3.05Å; A794-K798 PolarHBondContact O-N 2.9Å; A794-A820 HydrophobicContact CB-CB 3.74Å; A794-F821 HydrophobicContact CB-CD1 3.92Å; A794-F821 HydrophobicContact CB-CD2 4Å; A794-F821 HydrophobicContact CB-CE1 3.99Å; A794-F821 HydrophobicContact CB-CE2 4.06Å; A794-F821 HydrophobicContact CB-CG 3.9Å; A794-F821 HydrophobicContact CB-CZ 4.04Å; A794-A824 HydrophobicContact CB-CB 4.4Å; A794-A824 VanDerWaalsContact O-CB 3.25Å; A794-A824 WeakPolarHBondContact O-CB 3.47Å |
| 795 | R | 96.4 | Very high | 95.8 | Very high | 168 Ų | 168 | 45 Ų | 45 | 63% | 0.634 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -62.3 | -40.7 | 176.6 | -175.6 | 177.1 | -177.2 | 176.9 | 0 | 112.4 | R791 Y792 L793 K798 K799 | R791-R795 WeakPolarHBondContact O-CB 3.42Å; R791-R795 PolarHBondContact O-N 2.84Å; Y792-R795 PolarHBondContact O-N 3.5Å; L793-R795 VanDerWaalsContact C-N 3.34Å; L793-R795 PolarHBondContact O-N 3.31Å; R795-K798 WeakPolarHBondContact O-CB 3.5Å; R795-K798 PolarHBondContact O-N 3.4Å; R795-K799 PolarHBondContact O-N 3.32Å |
| 796 | A | 96.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.3 | -41.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A766 I769 E770 Y792 L793 A794 K798 K799 S800 | A766-A796 HydrophobicContact CB-CB 3.68Å; A766-A796 VanDerWaalsContact O-CB 3.31Å; A766-A796 WeakPolarHBondContact O-CB 3.33Å; I769-A796 HydrophobicContact CB-CB 4.04Å; I769-A796 HydrophobicContact CG2-CB 3.82Å; E770-A796 HydrophobicContact CG-CB 3.67Å; Y792-A796 PolarHBondContact O-N 3.32Å; Y792-A796 VanDerWaalsContact O-N 3.08Å; L793-A796 PolarHBondContact O-N 3.37Å; A794-A796 VanDerWaalsContact C-N 3.34Å; A794-A796 PolarHBondContact O-N 3.14Å; A796-K798 VanDerWaalsContact C-N 3.34Å; A796-K798 PolarHBondContact O-N 3.26Å; A796-K799 PolarHBondContact O-N 3.4Å; A796-K799 VanDerWaalsContact O-N 3.15Å; A796-S800 PolarHBondContact O-N 3.12Å |
| 797 | V | 95.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.4 | -43.8 | 175.2 | 171 | 0 | 0 | 0 | 0 | 110.8 | L793 A794 K799 S800 I803 L806 F821 H828 L831 | L793-V797 WeakPolarHBondContact O-CB 3.5Å; L793-V797 WeakPolarHBondContact O-CG2 3.33Å; L793-V797 PolarHBondContact O-N 2.8Å; A794-V797 PolarHBondContact O-N 3.05Å; V797-K799 PolarHBondContact O-N 3.5Å; V797-K799 VanDerWaalsContact O-N 3.15Å; V797-S800 PolarHBondContact O-N 3.3Å; V797-I803 HydrophobicContact CG2-CD1 4.44Å; V797-L806 HydrophobicContact CG2-CD2 3.73Å; V797-F821 HydrophobicContact CG2-CE1 4.37Å; V797-H828 PolarHBondContact O-CD2 3.25Å; V797-H828 PolarHBondContact O-NE2 3.24Å; V797-L831 HydrophobicContact CG1-CD2 4.07Å |
| 798 | K | 94.8 | Very high | 95.5 | Very high | 111 Ų | 111 | 41.4 Ų | 41.4 | 48% | 0.483 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -54.4 | -34 | 175.8 | -170.1 | 173.5 | -172.9 | 172.1 | 0 | 113.3 | A794 R795 A796 E823 A824 | A794-K798 PolarHBondContact O-N 2.9Å; R795-K798 WeakPolarHBondContact O-CB 3.5Å; R795-K798 PolarHBondContact O-N 3.4Å; A796-K798 VanDerWaalsContact C-N 3.34Å; A796-K798 PolarHBondContact O-N 3.26Å; K798-E823 IonicContact NZ-OE2 2.71Å; K798-E823 PolarHBondContact NZ-OE2 3.34Å; K798-A824 HydrophobicContact CB-CB 3.86Å |
| 799 | K | 93 | Very high | 95.3 | Very high | 109 Ų | 109 | 42.7 Ų | 42.7 | 47% | 0.474 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -87.1 | -22.2 | 177.8 | -66.1 | 177.6 | -173.3 | 161.7 | 0 | 113.4 | E770 R795 A796 V797 | E770-K799 HydrophobicContact CG-CD 4.16Å; E770-K799 WeakPolarHBondContact OE1-CD 3.49Å; E770-K799 IonicContact OE1-NZ 2.7Å; E770-K799 PolarHBondContact OE1-NZ 3.09Å; E770-K799 IonicContact OE2-NZ 2.74Å; E770-K799 PolarHBondContact OE2-NZ 3.47Å; R795-K799 PolarHBondContact O-N 3.32Å; A796-K799 PolarHBondContact O-N 3.4Å; A796-K799 VanDerWaalsContact O-N 3.15Å; V797-K799 PolarHBondContact O-N 3.5Å; V797-K799 VanDerWaalsContact O-N 3.15Å |
| 800 | S | 92.9 | Very high | 95.1 | Very high | 7 Ų | 7 | 43.8 Ų | 43.8 | 5% | 0.049 | 20% | 0.199 | C | C | . | . | trans | -70.6 | 142.7 | -177.8 | -170.1 | 0 | 0 | 0 | 0 | 110.8 | A796 V797 S802 I803 H828 | A796-S800 PolarHBondContact O-N 3.12Å; V797-S800 PolarHBondContact O-N 3.3Å; S800-S802 PolarHBondContact OG-N 2.84Å; S800-S802 PolarHBondContact OG-OG 3.42Å; S800-I803 WeakPolarHBondContact OG-CG1 3.45Å; S800-H828 PolarHBondContact O-NE2 2.97Å | ||
| 801 | T | 91.3 | Very high | 95.1 | Very high | 95 Ų | 95 | 44.1 Ų | 44.1 | 58% | 0.583 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -114.9 | -1.7 | 174.6 | 61 | 0 | 0 | 0 | 0 | 112.5 | R830 | T801-R830 VanDerWaalsContact O-CD 3.24Å; T801-R830 WeakPolarHBondContact O-CD 3.47Å |
| 802 | S | 93.3 | Very high | 94.9 | Very high | 12 Ų | 12 | 43 Ų | 43 | 8% | 0.084 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -110.8 | -27.7 | -170.9 | 58.5 | 0 | 0 | 0 | 0 | 113.9 | P773 L775 S800 F804 | P773-S802 WeakPolarHBondContact O-CB 3.25Å; P773-S802 PolarHBondContact O-OG 2.71Å; L775-S802 CarbonylContact O-C 3.58Å; L775-S802 VanDerWaalsContact O-CB 3.31Å; L775-S802 WeakPolarHBondContact O-CB 3.43Å; L775-S802 PolarHBondContact O-OG 3.14Å; S800-S802 PolarHBondContact OG-N 2.84Å; S800-S802 PolarHBondContact OG-OG 3.42Å; S802-F804 PolarHBondContact O-N 3.42Å |
| 803 | I | 95.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -65.5 | 129.7 | -177.5 | -66.5 | 178.5 | 0 | 0 | 0 | 110.2 | I769 L775 V778 V797 S800 L806 H828 R830 L831 | I769-I803 HydrophobicContact CB-CD1 4.15Å; I769-I803 HydrophobicContact CD1-CD1 4.1Å; I769-I803 HydrophobicContact CG1-CD1 3.86Å; I769-I803 HydrophobicContact CG2-CD1 3.36Å; L775-I803 WeakPolarHBondContact O-CG1 3.48Å; L775-I803 PolarHBondContact O-N 3.36Å; V778-I803 HydrophobicContact CG2-CD1 4.34Å; V797-I803 HydrophobicContact CG2-CD1 4.44Å; S800-I803 WeakPolarHBondContact OG-CG1 3.45Å; I803-L806 HydrophobicContact CG2-CB 4.48Å; I803-H828 PolarHBondContact O-CE1 3.49Å; I803-R830 CarbonylContact O-C 3.53Å; I803-R830 WeakPolarHBondContact O-CB 3.39Å; I803-L831 HydrophobicContact CG2-CD1 4.02Å | ||
| 804 | F | 94.7 | Very high | 94.8 | Very high | 82 Ų | 82 | 39.2 Ų | 39.2 | 36% | 0.36 | 20% | 0.199 | S | C | . | . | trans | -116.7 | -20.6 | 172 | 84.4 | -87.7 | 0 | 0 | 0 | 113.2 | A776 V777 S802 R830 T832 N833 | A776-F804 HydrophobicContact CB-CD1 3.72Å; A776-F804 HydrophobicContact CB-CE1 3.8Å; A776-F804 WeakPolarHBondContact O-CD1 3.4Å; A776-F804 PolarHBondContact O-N 3.33Å; V777-F804 HydrophobicContact CG2-CD1 4.16Å; V777-F804 HydrophobicContact CG2-CE1 3.22Å; V777-F804 HydrophobicContact CG2-CZ 3.44Å; V777-F804 VanDerWaalsContact CG2-CZ 3.44Å; S802-F804 PolarHBondContact O-N 3.42Å; F804-R830 WeakPolarHBondContact CA-O 3.03Å; F804-R830 WeakPolarHBondContact CB-O 3.1Å; F804-T832 PolarHBondContact O-N 3.16Å; F804-T832 PolarHBondContact O-OG1 3.24Å; F804-N833 PolarHBondContact O-N 3.47Å; F804-N833 VanDerWaalsContact O-N 3.13Å | ||
| 805 | D | 95.1 | Very high | 94.8 | Very high | 22 Ų | 22 | 41.2 Ų | 41.2 | 12% | 0.118 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 118.9 | -178.5 | -176.7 | 3.4 | 0 | 0 | 0 | 111.8 | A776 V777 V778 K779 N833 | A776-D805 PolarHBondContact O-N 3.5Å; V777-D805 WeakPolarHBondContact CA-O 3.42Å; V777-D805 HydrophobicContact CG1-CB 4.25Å; V777-D805 HydrophobicContact CG2-CB 4.27Å; V778-D805 PolarHBondContact N-O 3.36Å; K779-D805 VanDerWaalsContact CE-OD2 3.29Å; K779-D805 WeakPolarHBondContact CE-OD2 3.49Å; K779-D805 IonicContact NZ-OD1 2.75Å; K779-D805 PolarHBondContact NZ-OD1 2.77Å; K779-D805 IonicContact NZ-OD2 3.06Å; K779-D805 PolarHBondContact NZ-OD2 2.79Å; D805-N833 WeakPolarHBondContact CA-O 3.47Å; D805-N833 HydrophobicContact CB-CB 4.13Å |
| 806 | L | 96.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 125.1 | 176.1 | -179.2 | 66.4 | 0 | 0 | 0 | 110.8 | V778 V797 I803 M808 F821 L831 N833 L834 S835 | V778-L806 HydrophobicContact CB-CD1 3.82Å; V778-L806 HydrophobicContact CG1-CD1 4.04Å; V778-L806 WeakPolarHBondContact O-CA 3.48Å; V797-L806 HydrophobicContact CG2-CD2 3.73Å; I803-L806 HydrophobicContact CG2-CB 4.48Å; L806-M808 HydrophobicContact CD1-CG 4.39Å; L806-M808 HydrophobicContact CD2-SD 4.29Å; L806-M808 HydrophobicContact CG-CG 4.25Å; L806-F821 HydrophobicContact CD2-CE1 3.6Å; L806-F821 HydrophobicContact CD2-CZ 3.99Å; L806-L831 HydrophobicContact CB-CD1 4.15Å; L806-N833 PolarHBondContact N-O 2.81Å; L806-L834 HydrophobicContact CB-CD1 3.95Å; L806-L834 HydrophobicContact CD2-CD1 3.86Å; L806-L834 HydrophobicContact CG-CD1 4.06Å; L806-L834 WeakPolarHBondContact O-CA 3.34Å; L806-S835 PolarHBondContact O-N 3.38Å |
| 807 | G | 94.9 | Very high | 94.8 | Very high | 7 Ų | 7 | 38.2 Ų | 38.2 | 7% | 0.072 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 120.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V778 I780 G781 | V778-G807 PolarHBondContact O-N 3.27Å; I780-G807 PolarHBondContact N-O 3.33Å; G781-G807 PolarHBondContact N-O 3.32Å |
| 808 | M | 94.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -126.8 | 20.9 | 178.2 | -64.7 | -171 | 61.6 | 0 | 0 | 113.1 | I780 I785 L793 L806 G810 N811 I813 F821 S835 L836 N839 | I780-M808 HydrophobicContact CG2-CG 3.84Å; I785-M808 HydrophobicContact CG2-CE 4.41Å; L793-M808 HydrophobicContact CB-SD 4.45Å; L793-M808 HydrophobicContact CD1-CE 3.39Å; L793-M808 HydrophobicContact CD1-SD 3.91Å; L806-M808 HydrophobicContact CD1-CG 4.39Å; L806-M808 HydrophobicContact CD2-SD 4.29Å; L806-M808 HydrophobicContact CG-CG 4.25Å; M808-G810 PolarHBondContact O-N 2.78Å; M808-N811 PolarHBondContact O-ND2 2.82Å; M808-I813 HydrophobicContact CE-CG2 3.85Å; M808-F821 HydrophobicContact CE-CE2 4.24Å; M808-F821 HydrophobicContact CE-CZ 4.4Å; M808-F821 HydrophobicContact SD-CE1 4.39Å; M808-F821 HydrophobicContact SD-CE2 3.62Å; M808-F821 HydrophobicContact SD-CZ 3.33Å; M808-F821 WeakPolarHBondContact SD-CZ 3.29Å; M808-S835 PolarHBondContact N-O 3.43Å; M808-L836 HydrophobicContact CB-CD2 4.21Å; M808-L836 HydrophobicContact SD-CD2 4.41Å; M808-N839 PolarHBondContact O-ND2 3.1Å | ||
| 809 | W | 93.6 | Very high | 95 | Very high | 84 Ų | 84 | 37.9 Ų | 37.9 | 32% | 0.318 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 134.5 | -178.1 | 171.4 | 71 | 0 | 0 | 0 | 112.8 | Y753 G781 K782 A837 | Y753-W809 AromaticContact CE2-CE3 3.56Å; Y753-W809 HydrophobicContact CE2-CE3 3.56Å; Y753-W809 AromaticContact CE2-CZ3 3.57Å; Y753-W809 HydrophobicContact CE2-CZ3 3.57Å; Y753-W809 AromaticContact CZ-CZ3 3.81Å; Y753-W809 WeakPolarHBondContact OH-CZ3 3.4Å; G781-W809 CarbonylContact C-O 3.58Å; G781-W809 WeakPolarHBondContact CA-O 3.37Å; K782-W809 HydrophobicContact CB-CE3 4.41Å; K782-W809 HydrophobicContact CB-CZ3 4.18Å; K782-W809 HydrophobicContact CD-CH2 4.47Å; K782-W809 HydrophobicContact CD-CZ3 3.98Å; K782-W809 HydrophobicContact CG-CZ3 4.34Å; K782-W809 PolarHBondContact N-O 3.44Å; W809-A837 CarbonylContact C-O 3.54Å; W809-A837 WeakPolarHBondContact CA-O 3.21Å; W809-A837 HydrophobicContact CB-CB 4.46Å; W809-A837 HydrophobicContact CG-CB 4.28Å |
| 810 | G | 92.3 | Very high | 95.2 | Very high | 23 Ų | 23 | 33.6 Ų | 33.6 | 24% | 0.237 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 28.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | K782 M808 A837 A838 | K782-G810 VanDerWaalsContact CA-O 3.3Å; K782-G810 WeakPolarHBondContact CA-O 3.2Å; M808-G810 PolarHBondContact O-N 2.78Å; G810-A837 PolarHBondContact N-O 3.06Å; G810-A838 CarbonylContact C-O 3.41Å; G810-A838 WeakPolarHBondContact CA-O 3.24Å; G810-A838 PolarHBondContact N-O 2.87Å |
| 811 | N | 96.1 | Very high | 95.4 | Very high | 6 Ų | 6 | 33.3 Ų | 33.3 | 3% | 0.032 | 19% | 0.186 | C | C | . | . | trans | -104.7 | -161.6 | 170.7 | -72 | -72.4 | 0 | 0 | 0 | 109.6 | I780 N783 I785 M808 I813 A838 N839 | I780-N811 PolarHBondContact O-ND2 3.26Å; I780-N811 VanDerWaalsContact O-ND2 3.12Å; N783-N811 VanDerWaalsContact CA-OD1 3.31Å; N783-N811 WeakPolarHBondContact CA-OD1 3.36Å; N783-N811 WeakPolarHBondContact CB-OD1 3.43Å; N783-N811 PolarHBondContact N-OD1 3.47Å; N783-N811 PolarHBondContact O-OD1 3.28Å; I785-N811 HydrophobicContact CB-CB 4.14Å; I785-N811 WeakPolarHBondContact CB-OD1 3.32Å; M808-N811 PolarHBondContact O-ND2 2.82Å; N811-I813 HydrophobicContact CB-CG2 4.4Å; N811-A838 PolarHBondContact N-O 3.44Å; N811-N839 VanDerWaalsContact CB-OD1 3.32Å; N811-N839 WeakPolarHBondContact CB-OD1 3.3Å; N811-N839 WeakPolarHBondContact O-CA 3.39Å | ||
| 812 | S | 94.8 | Very high | 95.6 | Very high | 81 Ų | 81 | 29 Ų | 29 | 57% | 0.566 | 16% | 0.16 | S | C | * | . | trans | -135.9 | 51.1 | 178.7 | -53.9 | 0 | 0 | 0 | 0 | 111.1 | I785 T786 P787 G814 | I785-S812 CarbonylContact O-C 3.49Å; I785-S812 PolarHBondContact O-N 3.43Å; T786-S812 CarbonylContact C-O 3.6Å; T786-S812 WeakPolarHBondContact CA-O 3.09Å; P787-S812 VanDerWaalsContact CD-O 3.27Å; P787-S812 WeakPolarHBondContact CD-O 3.46Å; S812-G814 VanDerWaalsContact C-N 3.28Å; S812-G814 PolarHBondContact O-N 3.07Å | ||
| 813 | I | 96.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -72.4 | -18.9 | -176.4 | 72.5 | -179.1 | 0 | 0 | 0 | 113.9 | I785 P787 M808 N811 G817 F821 L836 N839 | I785-I813 HydrophobicContact CG2-CG2 4.25Å; P787-I813 VanDerWaalsContact CA-O 3.25Å; P787-I813 WeakPolarHBondContact CA-O 3.49Å; P787-I813 WeakPolarHBondContact CB-O 3.28Å; P787-I813 VanDerWaalsContact CG-O 3.24Å; P787-I813 WeakPolarHBondContact CG-O 3.18Å; M808-I813 HydrophobicContact CE-CG2 3.85Å; N811-I813 HydrophobicContact CB-CG2 4.4Å; I813-G817 WeakPolarHBondContact O-CA 3.25Å; I813-G817 PolarHBondContact O-N 3.18Å; I813-F821 HydrophobicContact CD1-CD2 4.08Å; I813-F821 HydrophobicContact CD1-CE2 4.18Å; I813-L836 HydrophobicContact CD1-CD1 4.46Å; I813-L836 HydrophobicContact CD1-CD2 3.87Å; I813-N839 HydrophobicContact CD1-CB 4.33Å; I813-N839 HydrophobicContact CG1-CB 3.87Å; I813-N839 WeakPolarHBondContact CG1-OD1 3.2Å; I813-N839 PolarHBondContact N-O 3.49Å; I813-N839 PolarHBondContact N-OD1 3.43Å | ||
| 814 | G | 96.4 | Very high | 95.6 | Very high | 15 Ų | 15 | 33.7 Ų | 33.7 | 16% | 0.155 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | 57 | -167.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S812 G817 A818 N839 | S812-G814 VanDerWaalsContact C-N 3.28Å; S812-G814 PolarHBondContact O-N 3.07Å; G814-G817 PolarHBondContact O-N 3.05Å; G814-A818 PolarHBondContact O-N 2.93Å; G814-N839 PolarHBondContact N-O 3.44Å |
| 815 | D | 97.3 | Very high | 95.6 | Very high | 43 Ų | 43 | 29.8 Ų | 29.8 | 23% | 0.23 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.8 | -39.4 | -178.7 | -68.5 | -33.9 | 0 | 0 | 0 | 113 | G817 A818 E819 T842 G845 | D815-G817 VanDerWaalsContact C-N 3.29Å; D815-G817 PolarHBondContact O-N 3.42Å; D815-A818 CarbonylContact O-C 3.41Å; D815-A818 WeakPolarHBondContact O-CB 3.34Å; D815-A818 PolarHBondContact O-N 3.03Å; D815-A818 VanDerWaalsContact O-N 3.12Å; D815-E819 WeakPolarHBondContact O-CB 3.43Å; D815-E819 PolarHBondContact O-N 3.03Å; D815-T842 VanDerWaalsContact CG-OG1 3.27Å; D815-T842 PolarHBondContact OD1-N 3.13Å; D815-T842 PolarHBondContact OD1-OG1 3Å; D815-T842 WeakPolarHBondContact OD2-CB 3.37Å; D815-T842 WeakPolarHBondContact OD2-CG2 3.38Å; D815-T842 PolarHBondContact OD2-OG1 3.26Å; D815-G845 WeakPolarHBondContact OD1-CA 3.48Å; D815-G845 PolarHBondContact OD1-N 2.89Å |
| 816 | E | 96.8 | Very high | 95.4 | Very high | 106 Ų | 106 | 33.8 Ų | 33.8 | 50% | 0.495 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -61.4 | -37.9 | 177.4 | -68.2 | 175.3 | -146.2 | 0 | 0 | 112 | P787 R791 A820 | P787-E816 HydrophobicContact CB-CB 3.98Å; R791-E816 IonicContact CZ-OE2 3.95Å; R791-E816 IonicContact NH1-OE2 3.33Å; R791-E816 PolarHBondContact NH1-OE2 2.83Å; E816-A820 PolarHBondContact O-N 3.09Å |
| 817 | G | 95.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.8 | -41.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I813 G814 D815 A820 F821 | I813-G817 WeakPolarHBondContact O-CA 3.25Å; I813-G817 PolarHBondContact O-N 3.18Å; G814-G817 PolarHBondContact O-N 3.05Å; D815-G817 VanDerWaalsContact C-N 3.29Å; D815-G817 PolarHBondContact O-N 3.42Å; G817-A820 PolarHBondContact O-N 3.3Å; G817-F821 VanDerWaalsContact O-CD2 3.3Å; G817-F821 WeakPolarHBondContact O-CD2 3.48Å; G817-F821 PolarHBondContact O-N 3.12Å |
| 818 | A | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.2 | -41.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G814 D815 F821 A822 I841 L849 | G814-A818 PolarHBondContact O-N 2.93Å; D815-A818 CarbonylContact O-C 3.41Å; D815-A818 WeakPolarHBondContact O-CB 3.34Å; D815-A818 PolarHBondContact O-N 3.03Å; D815-A818 VanDerWaalsContact O-N 3.12Å; A818-F821 CarbonylContact O-C 3.51Å; A818-F821 PolarHBondContact O-N 3.44Å; A818-A822 PolarHBondContact O-N 3.38Å; A818-I841 HydrophobicContact CB-CD1 3.99Å; A818-I841 HydrophobicContact CB-CG1 4.1Å; A818-I841 HydrophobicContact CB-CG2 3.97Å; A818-L849 HydrophobicContact CB-CD1 3.94Å; A818-L849 HydrophobicContact CB-CG 4.25Å; A818-L849 WeakPolarHBondContact O-CD2 3.47Å |
| 819 | E | 97.5 | Very high | 94.6 | Very high | 103 Ų | 103 | 43.1 Ų | 43.1 | 48% | 0.481 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.3 | -45 | 174.9 | -175.5 | -179.6 | -174 | 0 | 0 | 111.3 | D815 F821 A822 E823 | D815-E819 WeakPolarHBondContact O-CB 3.43Å; D815-E819 PolarHBondContact O-N 3.03Å; E819-F821 VanDerWaalsContact C-N 3.31Å; E819-F821 PolarHBondContact O-N 3.28Å; E819-A822 VanDerWaalsContact O-CB 3.29Å; E819-A822 WeakPolarHBondContact O-CB 3.16Å; E819-A822 PolarHBondContact O-N 2.79Å; E819-A822 VanDerWaalsContact O-N 3.12Å; E819-E823 PolarHBondContact O-N 2.9Å; E819-E823 VanDerWaalsContact O-N 3.1Å |
| 820 | A | 97.1 | Very high | 94.6 | Very high | 20 Ų | 20 | 46.5 Ų | 46.5 | 17% | 0.165 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.7 | -38.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R791 A794 E816 G817 E823 A824 | R791-A820 HydrophobicContact CB-CB 4.46Å; R791-A820 HydrophobicContact CG-CB 3.9Å; A794-A820 HydrophobicContact CB-CB 3.74Å; E816-A820 PolarHBondContact O-N 3.09Å; G817-A820 PolarHBondContact O-N 3.3Å; A820-E823 PolarHBondContact O-N 3.39Å; A820-A824 PolarHBondContact O-N 3.13Å; A820-A824 VanDerWaalsContact O-N 3.14Å |
| 821 | F | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.2 | -36.5 | 172.8 | -87.8 | -69.6 | 0 | 0 | 0 | 112.5 | L793 A794 V797 L806 M808 I813 G817 A818 E819 E823 A824 L825 L836 L849 | L793-F821 HydrophobicContact CB-CZ 4.17Å; A794-F821 HydrophobicContact CB-CD1 3.92Å; A794-F821 HydrophobicContact CB-CD2 4Å; A794-F821 HydrophobicContact CB-CE1 3.99Å; A794-F821 HydrophobicContact CB-CE2 4.06Å; A794-F821 HydrophobicContact CB-CG 3.9Å; A794-F821 HydrophobicContact CB-CZ 4.04Å; V797-F821 HydrophobicContact CG2-CE1 4.37Å; L806-F821 HydrophobicContact CD2-CE1 3.6Å; L806-F821 HydrophobicContact CD2-CZ 3.99Å; M808-F821 HydrophobicContact CE-CE2 4.24Å; M808-F821 HydrophobicContact CE-CZ 4.4Å; M808-F821 HydrophobicContact SD-CE1 4.39Å; M808-F821 HydrophobicContact SD-CE2 3.62Å; M808-F821 HydrophobicContact SD-CZ 3.33Å; M808-F821 WeakPolarHBondContact SD-CZ 3.29Å; I813-F821 HydrophobicContact CD1-CD2 4.08Å; I813-F821 HydrophobicContact CD1-CE2 4.18Å; G817-F821 VanDerWaalsContact O-CD2 3.3Å; G817-F821 WeakPolarHBondContact O-CD2 3.48Å; G817-F821 PolarHBondContact O-N 3.12Å; A818-F821 CarbonylContact O-C 3.51Å; A818-F821 PolarHBondContact O-N 3.44Å; E819-F821 VanDerWaalsContact C-N 3.31Å; E819-F821 PolarHBondContact O-N 3.28Å; F821-E823 VanDerWaalsContact C-N 3.32Å; F821-E823 PolarHBondContact O-N 3.31Å; F821-A824 WeakPolarHBondContact O-CB 3.47Å; F821-A824 PolarHBondContact O-N 2.88Å; F821-A824 VanDerWaalsContact O-N 3.1Å; F821-L825 WeakPolarHBondContact O-CB 3.43Å; F821-L825 WeakPolarHBondContact O-CD1 3.34Å; F821-L825 WeakPolarHBondContact O-CG 3.39Å; F821-L825 PolarHBondContact O-N 3.37Å; F821-L836 HydrophobicContact CB-CD1 4.11Å; F821-L836 HydrophobicContact CD2-CD1 4.25Å; F821-L836 HydrophobicContact CD2-CD2 4.05Å; F821-L836 HydrophobicContact CE2-CD2 4.12Å; F821-L836 HydrophobicContact CG-CD1 4.19Å; F821-L836 HydrophobicContact CG-CD2 4.41Å; F821-L849 HydrophobicContact CB-CD2 4.32Å |
| 822 | A | 96 | Very high | 94.6 | Very high | 6 Ų | 6 | 47 Ų | 47 | 5% | 0.05 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.5 | -48.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | A818 E819 A824 L825 R826 C848 L849 A852 | A818-A822 PolarHBondContact O-N 3.38Å; E819-A822 VanDerWaalsContact O-CB 3.29Å; E819-A822 WeakPolarHBondContact O-CB 3.16Å; E819-A822 PolarHBondContact O-N 2.79Å; E819-A822 VanDerWaalsContact O-N 3.12Å; A822-A824 VanDerWaalsContact C-N 3.3Å; A822-A824 PolarHBondContact O-N 2.78Å; A822-L825 PolarHBondContact O-N 3.31Å; A822-R826 PolarHBondContact O-N 3.4Å; A822-C848 HydrophobicContact CB-CB 4.23Å; A822-C848 WeakPolarHBondContact CB-O 3.43Å; A822-L849 HydrophobicContact CB-CD2 4.12Å; A822-A852 HydrophobicContact CB-CB 3.71Å; A822-A852 WeakPolarHBondContact O-CB 3.24Å |
| 823 | E | 94.7 | Very high | 94.6 | Very high | 106 Ų | 106 | 44.6 Ų | 44.6 | 50% | 0.495 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.8 | -37.8 | 174.6 | -69.9 | -167.3 | -171.3 | 0 | 0 | 113.8 | K798 E819 A820 F821 L825 | K798-E823 IonicContact NZ-OE2 2.71Å; K798-E823 PolarHBondContact NZ-OE2 3.34Å; E819-E823 PolarHBondContact O-N 2.9Å; E819-E823 VanDerWaalsContact O-N 3.1Å; A820-E823 PolarHBondContact O-N 3.39Å; F821-E823 VanDerWaalsContact C-N 3.32Å; F821-E823 PolarHBondContact O-N 3.31Å; E823-L825 VanDerWaalsContact C-N 3.34Å |
| 824 | A | 94.5 | Very high | 94.6 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 3% | 0.025 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69 | -36 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A794 K798 A820 F821 A822 | A794-A824 HydrophobicContact CB-CB 4.4Å; A794-A824 VanDerWaalsContact O-CB 3.25Å; A794-A824 WeakPolarHBondContact O-CB 3.47Å; K798-A824 HydrophobicContact CB-CB 3.86Å; A820-A824 PolarHBondContact O-N 3.13Å; A820-A824 VanDerWaalsContact O-N 3.14Å; F821-A824 WeakPolarHBondContact O-CB 3.47Å; F821-A824 PolarHBondContact O-N 2.88Å; F821-A824 VanDerWaalsContact O-N 3.1Å; A822-A824 VanDerWaalsContact C-N 3.3Å; A822-A824 PolarHBondContact O-N 2.78Å |
| 825 | L | 93.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -76.9 | -34.9 | -175.4 | -71.1 | 167.7 | 0 | 0 | 0 | 113.1 | F821 A822 E823 N827 H828 L831 L834 L849 L853 N856 | F821-L825 WeakPolarHBondContact O-CB 3.43Å; F821-L825 WeakPolarHBondContact O-CD1 3.34Å; F821-L825 WeakPolarHBondContact O-CG 3.39Å; F821-L825 PolarHBondContact O-N 3.37Å; A822-L825 PolarHBondContact O-N 3.31Å; E823-L825 VanDerWaalsContact C-N 3.34Å; L825-N827 PolarHBondContact O-N 3.28Å; L825-H828 PolarHBondContact O-N 3.18Å; L825-L831 HydrophobicContact CD2-CD2 3.55Å; L825-L831 HydrophobicContact CD2-CG 4.44Å; L825-L834 HydrophobicContact CD1-CD2 3.6Å; L825-L834 HydrophobicContact CD2-CD2 3.96Å; L825-L834 HydrophobicContact CG-CD2 4.27Å; L825-L849 HydrophobicContact CD1-CD2 4.06Å; L825-L853 HydrophobicContact CB-CD2 4.26Å; L825-L853 HydrophobicContact CD1-CD2 4.28Å; L825-N856 PolarHBondContact O-ND2 3.44Å |
| 826 | R | 91.6 | Very high | 94.5 | Very high | 105 Ų | 105 | 42.7 Ų | 42.7 | 40% | 0.396 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -37.8 | -46.6 | -172.3 | -155.1 | 177.9 | -159.3 | 148.9 | 12.2 | 114.6 | A822 E855 | A822-R826 PolarHBondContact O-N 3.4Å; R826-E855 VanDerWaalsContact CD-OE2 3.31Å; R826-E855 WeakPolarHBondContact CD-OE2 3.45Å; R826-E855 HydrophobicContact CG-CB 3.93Å; R826-E855 HydrophobicContact CG-CG 4.43Å; R826-E855 WeakPolarHBondContact CG-OE2 3.36Å; R826-E855 IonicContact CZ-OE1 2.79Å; R826-E855 IonicContact CZ-OE2 2.79Å; R826-E855 IonicContact NE-OE1 2.75Å; R826-E855 PolarHBondContact NE-OE1 3.34Å; R826-E855 IonicContact NE-OE2 3.81Å; R826-E855 PolarHBondContact NE-OE2 3.07Å; R826-E855 IonicContact NH2-OE1 2.73Å; R826-E855 PolarHBondContact NH2-OE1 2.92Å; R826-E855 CarbonylContact O-C 3.41Å |
| 827 | N | 85.4 | Confident | 94.4 | Very high | 128 Ų | 128 | 37.8 Ų | 37.8 | 68% | 0.684 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -131 | 27.7 | 179.8 | -68.2 | -56.9 | 0 | 0 | 0 | 113.9 | L825 | L825-N827 PolarHBondContact O-N 3.28Š|
| 828 | H | 91.6 | Very high | 94.3 | Very high | 3 Ų | 3 | 38.8 Ų | 38.8 | 1% | 0.014 | 20% | 0.195 | C | C | . | . | trans | -68.5 | 128.8 | -177.4 | -170.2 | -75 | 0 | 0 | 0 | 111.8 | V797 S800 I803 L825 R830 L831 V858 | V797-H828 PolarHBondContact O-CD2 3.25Å; V797-H828 PolarHBondContact O-NE2 3.24Å; S800-H828 PolarHBondContact O-NE2 2.97Å; I803-H828 PolarHBondContact O-CE1 3.49Å; L825-H828 PolarHBondContact O-N 3.18Å; H828-R830 PolarHBondContact ND1-N 2.83Å; H828-R830 PolarHBondContact O-N 2.98Å; H828-L831 HydrophobicContact CB-CB 4.48Å; H828-L831 PolarHBondContact CE1-N 2.91Å; H828-L831 WeakPolarHBondContact ND1-CB 3.42Å; H828-L831 PolarHBondContact ND1-N 2.51Å; H828-V858 WeakPolarHBondContact O-CG2 3.4Å | ||
| 829 | P | 90.9 | Very high | 94.3 | Very high | 73 Ų | 73 | 38.8 Ų | 38.8 | 47% | 0.474 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -77.5 | -21.2 | -166.2 | 29.1 | -36.9 | 0 | 0 | 0 | 115.5 | ||
| 830 | R | 94.1 | Very high | 94.2 | Very high | 154 Ų | 154 | 35.7 Ų | 35.7 | 58% | 0.581 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -137.2 | -5.5 | -170.1 | -73.8 | -159.5 | 172 | 179.2 | -8.4 | 117.9 | T801 I803 F804 H828 T832 | T801-R830 VanDerWaalsContact O-CD 3.24Å; T801-R830 WeakPolarHBondContact O-CD 3.47Å; I803-R830 CarbonylContact O-C 3.53Å; I803-R830 WeakPolarHBondContact O-CB 3.39Å; F804-R830 WeakPolarHBondContact CA-O 3.03Å; F804-R830 WeakPolarHBondContact CB-O 3.1Å; H828-R830 PolarHBondContact ND1-N 2.83Å; H828-R830 PolarHBondContact O-N 2.98Å; R830-T832 PolarHBondContact O-N 3.06Å; R830-T832 VanDerWaalsContact O-N 3.13Å |
| 831 | L | 94.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -80.3 | 104.4 | -170.3 | -179.3 | 61.8 | 0 | 0 | 0 | 108.5 | V797 I803 L806 L825 H828 N833 L859 | V797-L831 HydrophobicContact CG1-CD2 4.07Å; I803-L831 HydrophobicContact CG2-CD1 4.02Å; L806-L831 HydrophobicContact CB-CD1 4.15Å; L825-L831 HydrophobicContact CD2-CD2 3.55Å; L825-L831 HydrophobicContact CD2-CG 4.44Å; H828-L831 HydrophobicContact CB-CB 4.48Å; H828-L831 PolarHBondContact CE1-N 2.91Å; H828-L831 WeakPolarHBondContact ND1-CB 3.42Å; H828-L831 PolarHBondContact ND1-N 2.51Å; L831-N833 VanDerWaalsContact CD1-O 3.26Å; L831-N833 WeakPolarHBondContact CD1-O 3.33Å; L831-L859 HydrophobicContact CG-CD1 4.41Å; L831-L859 WeakPolarHBondContact O-CA 3.26Å; L831-L859 WeakPolarHBondContact O-CD1 3.33Å | ||
| 832 | T | 94.8 | Very high | 94.2 | Very high | 40 Ų | 40 | 36.9 Ų | 36.9 | 25% | 0.245 | 20% | 0.196 | C | C | . | . | trans | -97.2 | -27.4 | -178.5 | 60 | 0 | 0 | 0 | 0 | 112 | F804 R830 V858 R860 I861 | F804-T832 PolarHBondContact O-N 3.16Å; F804-T832 PolarHBondContact O-OG1 3.24Å; R830-T832 PolarHBondContact O-N 3.06Å; R830-T832 VanDerWaalsContact O-N 3.13Å; T832-V858 HydrophobicContact CG2-CG1 4.32Å; T832-R860 HydrophobicContact CG2-CG 4.3Å; T832-R860 PolarHBondContact O-N 3.35Å; T832-I861 PolarHBondContact O-N 3.29Å | ||
| 833 | N | 94.8 | Very high | 94.2 | Very high | 31 Ų | 31 | 36.7 Ų | 36.7 | 17% | 0.166 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 118.8 | -173.9 | -62.2 | -18.9 | 0 | 0 | 0 | 110 | F804 D805 L806 L831 W863 | F804-N833 PolarHBondContact O-N 3.47Å; F804-N833 VanDerWaalsContact O-N 3.13Å; D805-N833 WeakPolarHBondContact CA-O 3.47Å; D805-N833 HydrophobicContact CB-CB 4.13Å; L806-N833 PolarHBondContact N-O 2.81Å; L831-N833 VanDerWaalsContact CD1-O 3.26Å; L831-N833 WeakPolarHBondContact CD1-O 3.33Å; N833-W863 HydrophobicContact CB-CZ3 4.11Å |
| 834 | L | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 132.1 | 175.4 | 177.2 | 63.8 | 0 | 0 | 0 | 110.6 | L806 L825 L836 L859 I861 F862 W863 | L806-L834 HydrophobicContact CB-CD1 3.95Å; L806-L834 HydrophobicContact CD2-CD1 3.86Å; L806-L834 HydrophobicContact CG-CD1 4.06Å; L806-L834 WeakPolarHBondContact O-CA 3.34Å; L825-L834 HydrophobicContact CD1-CD2 3.6Å; L825-L834 HydrophobicContact CD2-CD2 3.96Å; L825-L834 HydrophobicContact CG-CD2 4.27Å; L834-L836 HydrophobicContact CD1-CD2 4.03Å; L834-L836 HydrophobicContact CD1-CG 4.22Å; L834-L836 HydrophobicContact CD2-CD1 4.09Å; L834-L836 HydrophobicContact CD2-CG 4.03Å; L834-L836 HydrophobicContact CG-CD2 4.41Å; L834-L836 HydrophobicContact CG-CG 4.04Å; L834-L859 HydrophobicContact CB-CD1 4Å; L834-I861 PolarHBondContact N-O 3.22Å; L834-I861 VanDerWaalsContact N-O 3.09Å; L834-F862 HydrophobicContact CB-CD2 4.21Å; L834-F862 HydrophobicContact CB-CE2 4.4Å; L834-F862 HydrophobicContact CD2-CD2 4.3Å; L834-F862 HydrophobicContact CD2-CE2 3.71Å; L834-F862 HydrophobicContact CD2-CZ 4.11Å; L834-F862 HydrophobicContact CG-CD2 4.22Å; L834-F862 HydrophobicContact CG-CE2 3.92Å; L834-F862 WeakPolarHBondContact O-CA 3.36Å; L834-F862 WeakPolarHBondContact O-CD2 3.14Å; L834-W863 PolarHBondContact O-N 2.96Å |
| 835 | S | 95.9 | Very high | 94.4 | Very high | 18 Ų | 18 | 34.9 Ų | 34.9 | 13% | 0.126 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 116 | 169.7 | -179 | 0 | 0 | 0 | 0 | 111.4 | L806 M808 | L806-S835 PolarHBondContact O-N 3.38Å; M808-S835 PolarHBondContact N-O 3.43Å |
| 836 | L | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -117.8 | 29.1 | 170.1 | -58.8 | -176.7 | 0 | 0 | 0 | 110.6 | M808 I813 F821 L834 N839 I841 L849 F862 W863 L864 N867 | M808-L836 HydrophobicContact CB-CD2 4.21Å; M808-L836 HydrophobicContact SD-CD2 4.41Å; I813-L836 HydrophobicContact CD1-CD1 4.46Å; I813-L836 HydrophobicContact CD1-CD2 3.87Å; F821-L836 HydrophobicContact CB-CD1 4.11Å; F821-L836 HydrophobicContact CD2-CD1 4.25Å; F821-L836 HydrophobicContact CD2-CD2 4.05Å; F821-L836 HydrophobicContact CE2-CD2 4.12Å; F821-L836 HydrophobicContact CG-CD1 4.19Å; F821-L836 HydrophobicContact CG-CD2 4.41Å; L834-L836 HydrophobicContact CD1-CD2 4.03Å; L834-L836 HydrophobicContact CD1-CG 4.22Å; L834-L836 HydrophobicContact CD2-CD1 4.09Å; L834-L836 HydrophobicContact CD2-CG 4.03Å; L834-L836 HydrophobicContact CG-CD2 4.41Å; L834-L836 HydrophobicContact CG-CG 4.04Å; L836-N839 WeakPolarHBondContact O-CB 3.41Å; L836-N839 PolarHBondContact O-ND2 3.41Å; L836-I841 HydrophobicContact CB-CD1 3.86Å; L836-I841 HydrophobicContact CD1-CD1 4.28Å; L836-L849 HydrophobicContact CD1-CD1 4.32Å; L836-L849 HydrophobicContact CD1-CD2 4.31Å; L836-F862 HydrophobicContact CB-CE2 4.25Å; L836-F862 HydrophobicContact CD1-CE2 4.11Å; L836-F862 HydrophobicContact CD1-CZ 4.1Å; L836-F862 HydrophobicContact CG-CE2 4.05Å; L836-W863 CarbonylContact C-O 3.58Å; L836-W863 PolarHBondContact N-O 2.89Å; L836-L864 HydrophobicContact CB-CD2 4.08Å; L836-N867 PolarHBondContact O-ND2 2.79Å | ||
| 837 | A | 94.4 | Very high | 94.8 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 2% | 0.017 | 19% | 0.188 | C | C | . | . | trans | -70.3 | 152.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | W809 G810 N839 W863 V865 | W809-A837 CarbonylContact C-O 3.54Å; W809-A837 WeakPolarHBondContact CA-O 3.21Å; W809-A837 HydrophobicContact CB-CB 4.46Å; W809-A837 HydrophobicContact CG-CB 4.28Å; G810-A837 PolarHBondContact N-O 3.06Å; A837-N839 PolarHBondContact O-N 2.89Å; A837-N839 PolarHBondContact O-ND2 3.34Å; A837-W863 HydrophobicContact CB-CB 4.36Å; A837-W863 PolarHBondContact N-O 3.4Å; A837-V865 CarbonylContact C-O 3.26Å; A837-V865 VanDerWaalsContact C-O 3.28Å; A837-V865 WeakPolarHBondContact CA-O 3.26Å; A837-V865 HydrophobicContact CB-CB 3.73Å; A837-V865 WeakPolarHBondContact CB-O 3.34Å | ||
| 838 | A | 94.1 | Very high | 95.3 | Very high | 21 Ų | 21 | 28.9 Ų | 28.9 | 17% | 0.174 | 17% | 0.169 | C | C | . | . | S | Bend | trans | 49.7 | 56.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G810 N811 V865 Q866 | G810-A838 CarbonylContact C-O 3.41Å; G810-A838 WeakPolarHBondContact CA-O 3.24Å; G810-A838 PolarHBondContact N-O 2.87Å; N811-A838 PolarHBondContact N-O 3.44Å; A838-V865 PolarHBondContact N-O 3.08Å; A838-Q866 WeakPolarHBondContact CA-O 3.5Å; A838-Q866 HydrophobicContact CB-CB 3.98Å; A838-Q866 PolarHBondContact N-O 3.47Å |
| 839 | N | 96.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -126.2 | 5.3 | -175.5 | -94.2 | -78.3 | 0 | 0 | 0 | 114.2 | M808 N811 I813 G814 L836 A837 I841 N867 | M808-N839 PolarHBondContact O-ND2 3.1Å; N811-N839 VanDerWaalsContact CB-OD1 3.32Å; N811-N839 WeakPolarHBondContact CB-OD1 3.3Å; N811-N839 WeakPolarHBondContact O-CA 3.39Å; I813-N839 HydrophobicContact CD1-CB 4.33Å; I813-N839 HydrophobicContact CG1-CB 3.87Å; I813-N839 WeakPolarHBondContact CG1-OD1 3.2Å; I813-N839 PolarHBondContact N-O 3.49Å; I813-N839 PolarHBondContact N-OD1 3.43Å; G814-N839 PolarHBondContact N-O 3.44Å; L836-N839 WeakPolarHBondContact O-CB 3.41Å; L836-N839 PolarHBondContact O-ND2 3.41Å; A837-N839 PolarHBondContact O-N 2.89Å; A837-N839 PolarHBondContact O-ND2 3.34Å; N839-I841 VanDerWaalsContact C-N 3.28Å; N839-I841 HydrophobicContact CB-CD1 4.1Å; N839-I841 HydrophobicContact CB-CG1 4Å; N839-I841 PolarHBondContact O-N 2.73Å; N839-N867 PolarHBondContact N-OD1 2.84Å |
| 840 | G | 95 | Very high | 95.7 | Very high | 37 Ų | 37 | 25.2 Ų | 25.2 | 38% | 0.381 | 15% | 0.146 | S | C | . | . | trans | 66.5 | 29.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | N867 | G840-N867 PolarHBondContact N-OD1 3.06Š| ||
| 841 | I | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -77.4 | 125.1 | 177.8 | -58.9 | 172.6 | 0 | 0 | 0 | 108.3 | A818 L836 N839 L849 L864 N867 E868 | A818-I841 HydrophobicContact CB-CD1 3.99Å; A818-I841 HydrophobicContact CB-CG1 4.1Å; A818-I841 HydrophobicContact CB-CG2 3.97Å; L836-I841 HydrophobicContact CB-CD1 3.86Å; L836-I841 HydrophobicContact CD1-CD1 4.28Å; N839-I841 VanDerWaalsContact C-N 3.28Å; N839-I841 HydrophobicContact CB-CD1 4.1Å; N839-I841 HydrophobicContact CB-CG1 4Å; N839-I841 PolarHBondContact O-N 2.73Å; I841-L849 HydrophobicContact CD1-CD1 4.48Å; I841-L864 HydrophobicContact CD1-CD2 4.26Å; I841-N867 HydrophobicContact CB-CB 4.31Å; I841-N867 PolarHBondContact N-OD1 3.38Å; I841-N867 VanDerWaalsContact N-OD1 3.13Å; I841-N867 WeakPolarHBondContact O-CB 3.2Å; I841-E868 CarbonylContact O-C 3.22Å; I841-E868 WeakPolarHBondContact O-CA 3.46Å; I841-E868 PolarHBondContact O-N 3.06Å | ||
| 842 | T | 97 | Very high | 95.8 | Very high | 46 Ų | 46 | 22.3 Ų | 22.3 | 28% | 0.282 | 14% | 0.14 | S | C | . | . | B | Isolated β-bridge | trans | -93.9 | -178.3 | 175.8 | 83.9 | 0 | 0 | 0 | 0 | 110.4 | D815 S844 G845 G846 E868 | D815-T842 VanDerWaalsContact CG-OG1 3.27Å; D815-T842 PolarHBondContact OD1-N 3.13Å; D815-T842 PolarHBondContact OD1-OG1 3Å; D815-T842 WeakPolarHBondContact OD2-CB 3.37Å; D815-T842 WeakPolarHBondContact OD2-CG2 3.38Å; D815-T842 PolarHBondContact OD2-OG1 3.26Å; T842-S844 PolarHBondContact O-N 3.24Å; T842-S844 PolarHBondContact OG1-N 3.44Å; T842-G845 PolarHBondContact O-N 2.95Å; T842-G846 PolarHBondContact O-N 3.11Å; T842-E868 HydrophobicContact CG2-CB 4.45Å |
| 843 | S | 96.4 | Very high | 95.7 | Very high | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.014 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -55 | -28.2 | 172.4 | -63.3 | 0 | 0 | 0 | 0 | 114.2 | K847 M870 D872 | S843-K847 WeakPolarHBondContact O-CB 3.21Å; S843-K847 WeakPolarHBondContact O-CD 3.44Å; S843-K847 WeakPolarHBondContact O-CG 2.96Å; S843-K847 PolarHBondContact O-N 3.27Å; S843-M870 PolarHBondContact OG-N 3.36Å; S843-M870 PolarHBondContact OG-O 3.26Å; S843-D872 VanDerWaalsContact CB-CG 3.44Å; S843-D872 WeakPolarHBondContact CB-OD1 3.39Å; S843-D872 WeakPolarHBondContact CB-OD2 2.85Å; S843-D872 PolarHBondContact OG-OD1 2.97Å |
| 844 | S | 96.7 | Very high | 95.6 | Very high | 70 Ų | 70 | 21.7 Ų | 21.7 | 49% | 0.49 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -65.3 | -53 | 177.8 | -172.7 | 0 | 0 | 0 | 0 | 111.7 | T842 G846 K847 C848 | T842-S844 PolarHBondContact O-N 3.24Å; T842-S844 PolarHBondContact OG1-N 3.44Å; S844-G846 VanDerWaalsContact C-N 3.32Å; S844-G846 PolarHBondContact O-N 3.07Å; S844-K847 PolarHBondContact O-N 2.8Å; S844-C848 PolarHBondContact O-N 3.15Å; S844-C848 PolarHBondContact O-SG 3.33Å; S844-C848 VanDerWaalsContact O-SG 3.33Å |
| 845 | G | 96.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.7 | -36.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D815 T842 K847 C848 L849 | D815-G845 WeakPolarHBondContact OD1-CA 3.48Å; D815-G845 PolarHBondContact OD1-N 2.89Å; T842-G845 PolarHBondContact O-N 2.95Å; G845-K847 PolarHBondContact O-N 3.26Å; G845-C848 PolarHBondContact O-N 3.2Å; G845-L849 WeakPolarHBondContact O-CG 3.17Å; G845-L849 PolarHBondContact O-N 3.49Å |
| 846 | G | 95.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58 | -44.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | T842 S844 C848 L849 A850 W877 | T842-G846 PolarHBondContact O-N 3.11Å; S844-G846 VanDerWaalsContact C-N 3.32Å; S844-G846 PolarHBondContact O-N 3.07Å; G846-C848 PolarHBondContact O-N 2.62Å; G846-L849 PolarHBondContact O-N 2.95Å; G846-A850 WeakPolarHBondContact O-CB 3.22Å; G846-A850 PolarHBondContact O-N 3.15Å; G846-W877 WeakPolarHBondContact O-CZ2 3.26Å |
| 847 | K | 96.9 | Very high | 94.8 | Very high | 64 Ų | 64 | 29.6 Ų | 29.6 | 28% | 0.278 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -60.5 | -44.7 | 175.3 | -74.8 | 167.3 | -176.4 | 169.2 | 0 | 112 | S843 S844 G845 L849 A850 E851 D872 Q876 | S843-K847 WeakPolarHBondContact O-CB 3.21Å; S843-K847 WeakPolarHBondContact O-CD 3.44Å; S843-K847 WeakPolarHBondContact O-CG 2.96Å; S843-K847 PolarHBondContact O-N 3.27Å; S844-K847 PolarHBondContact O-N 2.8Å; G845-K847 PolarHBondContact O-N 3.26Å; K847-L849 PolarHBondContact O-N 2.98Å; K847-A850 PolarHBondContact O-N 3.14Å; K847-E851 WeakPolarHBondContact O-CB 3.23Å; K847-E851 PolarHBondContact O-N 2.94Å; K847-D872 WeakPolarHBondContact CE-O 3.35Å; K847-D872 PolarHBondContact NZ-O 3.12Å; K847-D872 VanDerWaalsContact NZ-O 3.16Å; K847-D872 IonicContact NZ-OD2 3.18Å; K847-D872 PolarHBondContact NZ-OD2 3.28Å; K847-Q876 HydrophobicContact CB-CG 4.32Å; K847-Q876 HydrophobicContact CG-CB 4.37Å; K847-Q876 HydrophobicContact CG-CG 3.95Å |
| 848 | C | 96.6 | Very high | 94.8 | Very high | 43 Ų | 43 | 30.9 Ų | 30.9 | 29% | 0.291 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.2 | -44.8 | 178.3 | -61.8 | 0 | 0 | 0 | 0 | 111.5 | A822 S844 G845 G846 E851 A852 | A822-C848 HydrophobicContact CB-CB 4.23Å; A822-C848 WeakPolarHBondContact CB-O 3.43Å; S844-C848 PolarHBondContact O-N 3.15Å; S844-C848 PolarHBondContact O-SG 3.33Å; S844-C848 VanDerWaalsContact O-SG 3.33Å; G845-C848 PolarHBondContact O-N 3.2Å; G846-C848 PolarHBondContact O-N 2.62Å; C848-E851 PolarHBondContact O-N 3.16Å; C848-A852 PolarHBondContact O-N 2.98Å; C848-A852 VanDerWaalsContact O-N 3.09Å |
| 849 | L | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.1 | -47 | 176.2 | -73.1 | 167 | 0 | 0 | 0 | 111.9 | A818 F821 A822 L825 L836 I841 G845 G846 K847 E851 A852 L853 F862 L864 W877 | A818-L849 HydrophobicContact CB-CD1 3.94Å; A818-L849 HydrophobicContact CB-CG 4.25Å; A818-L849 WeakPolarHBondContact O-CD2 3.47Å; F821-L849 HydrophobicContact CB-CD2 4.32Å; A822-L849 HydrophobicContact CB-CD2 4.12Å; L825-L849 HydrophobicContact CD1-CD2 4.06Å; L836-L849 HydrophobicContact CD1-CD1 4.32Å; L836-L849 HydrophobicContact CD1-CD2 4.31Å; I841-L849 HydrophobicContact CD1-CD1 4.48Å; G845-L849 WeakPolarHBondContact O-CG 3.17Å; G845-L849 PolarHBondContact O-N 3.49Å; G846-L849 PolarHBondContact O-N 2.95Å; K847-L849 PolarHBondContact O-N 2.98Å; L849-E851 VanDerWaalsContact C-N 3.33Å; L849-E851 PolarHBondContact O-N 3.46Å; L849-A852 PolarHBondContact O-N 3.12Å; L849-L853 WeakPolarHBondContact O-CB 3.3Å; L849-L853 VanDerWaalsContact O-CG 3.23Å; L849-L853 WeakPolarHBondContact O-CG 3.38Å; L849-L853 PolarHBondContact O-N 2.83Å; L849-F862 HydrophobicContact CB-CE1 4.45Å; L849-F862 HydrophobicContact CD1-CE1 4.41Å; L849-F862 HydrophobicContact CD1-CZ 3.98Å; L849-F862 HydrophobicContact CD2-CE1 4.45Å; L849-F862 HydrophobicContact CD2-CZ 4.09Å; L849-L864 HydrophobicContact CD1-CD2 4.15Å; L849-W877 HydrophobicContact CB-CH2 4.1Å; L849-W877 HydrophobicContact CB-CZ2 4.34Å |
| 850 | A | 95.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.8 | -44.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | G846 K847 L853 K854 Q876 W877 | G846-A850 WeakPolarHBondContact O-CB 3.22Å; G846-A850 PolarHBondContact O-N 3.15Å; K847-A850 PolarHBondContact O-N 3.14Å; A850-L853 PolarHBondContact O-N 3.46Å; A850-K854 PolarHBondContact O-N 3.27Å; A850-Q876 HydrophobicContact CB-CB 3.91Å; A850-W877 HydrophobicContact CB-CD2 3.73Å; A850-W877 HydrophobicContact CB-CE3 3.79Å; A850-W877 HydrophobicContact CB-CG 4.24Å; A850-W877 HydrophobicContact CB-CH2 4.32Å; A850-W877 HydrophobicContact CB-CZ2 4.3Å; A850-W877 HydrophobicContact CB-CZ3 4.1Å |
| 851 | E | 95.1 | Very high | 94.6 | Very high | 86 Ų | 86 | 34.2 Ų | 34.2 | 40% | 0.402 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.2 | -47.6 | 179 | -169.6 | 59.2 | -148 | 0 | 0 | 111.9 | K847 C848 L849 L853 K854 | K847-E851 WeakPolarHBondContact O-CB 3.23Å; K847-E851 PolarHBondContact O-N 2.94Å; C848-E851 PolarHBondContact O-N 3.16Å; L849-E851 VanDerWaalsContact C-N 3.33Å; L849-E851 PolarHBondContact O-N 3.46Å; E851-L853 VanDerWaalsContact C-N 3.28Å; E851-L853 PolarHBondContact O-N 3.23Å; E851-K854 WeakPolarHBondContact O-CB 3.39Å; E851-K854 PolarHBondContact O-N 3.26Å; E851-K854 IonicContact OE1-NZ 3.98Å; E851-K854 WeakPolarHBondContact OE2-CE 3.38Å; E851-K854 IonicContact OE2-NZ 3.97Å; E851-K854 PolarHBondContact OE2-NZ 3.39Å |
| 852 | A | 94.2 | Very high | 94.6 | Very high | 7 Ų | 7 | 34.2 Ų | 34.2 | 6% | 0.058 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.9 | -31.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A822 C848 L849 K854 E855 | A822-A852 HydrophobicContact CB-CB 3.71Å; A822-A852 WeakPolarHBondContact O-CB 3.24Å; C848-A852 PolarHBondContact O-N 2.98Å; C848-A852 VanDerWaalsContact O-N 3.09Å; L849-A852 PolarHBondContact O-N 3.12Å; A852-K854 PolarHBondContact O-N 3.42Å; A852-E855 PolarHBondContact O-N 3.45Å |
| 853 | L | 93.6 | Very high | 94.5 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -72.2 | -15.9 | 179.8 | -73.8 | 175.6 | 0 | 0 | 0 | 113.7 | L825 L849 A850 E851 E855 N856 L859 F862 W877 L880 T885 | L825-L853 HydrophobicContact CB-CD2 4.26Å; L825-L853 HydrophobicContact CD1-CD2 4.28Å; L849-L853 WeakPolarHBondContact O-CB 3.3Å; L849-L853 VanDerWaalsContact O-CG 3.23Å; L849-L853 WeakPolarHBondContact O-CG 3.38Å; L849-L853 PolarHBondContact O-N 2.83Å; A850-L853 PolarHBondContact O-N 3.46Å; E851-L853 VanDerWaalsContact C-N 3.28Å; E851-L853 PolarHBondContact O-N 3.23Å; L853-E855 PolarHBondContact O-N 3.3Å; L853-N856 HydrophobicContact CD2-CB 3.91Å; L853-N856 PolarHBondContact O-N 3.01Å; L853-N856 VanDerWaalsContact O-N 3.11Å; L853-L859 HydrophobicContact CD1-CD2 4.19Å; L853-L859 HydrophobicContact CD2-CB 4.39Å; L853-L859 HydrophobicContact CD2-CD2 3.55Å; L853-F862 HydrophobicContact CD1-CD1 3.57Å; L853-F862 HydrophobicContact CD1-CE1 3.59Å; L853-W877 HydrophobicContact CD1-CH2 4.49Å; L853-W877 HydrophobicContact CD1-CZ3 4.22Å; L853-L880 HydrophobicContact CB-CD1 3.59Å; L853-L880 HydrophobicContact CB-CD2 3.75Å; L853-L880 HydrophobicContact CB-CG 4.34Å; L853-L880 HydrophobicContact CD1-CD2 3.96Å; L853-L880 WeakPolarHBondContact O-CD1 3.26Å; L853-T885 WeakPolarHBondContact O-CG2 3.38Å |
| 854 | K | 92.1 | Very high | 94.4 | Very high | 54 Ų | 54 | 35.7 Ų | 35.7 | 24% | 0.235 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -31.1 | 172.5 | -68.3 | 173.6 | 179.3 | 172.3 | 0 | 112 | A850 E851 A852 E879 L880 A883 T885 | A850-K854 PolarHBondContact O-N 3.27Å; E851-K854 WeakPolarHBondContact O-CB 3.39Å; E851-K854 PolarHBondContact O-N 3.26Å; E851-K854 IonicContact OE1-NZ 3.98Å; E851-K854 WeakPolarHBondContact OE2-CE 3.38Å; E851-K854 IonicContact OE2-NZ 3.97Å; E851-K854 PolarHBondContact OE2-NZ 3.39Å; A852-K854 PolarHBondContact O-N 3.42Å; K854-E879 IonicContact NZ-OE2 2.79Å; K854-E879 PolarHBondContact NZ-OE2 3.3Å; K854-L880 HydrophobicContact CG-CD1 4.19Å; K854-A883 HydrophobicContact CG-CB 4.44Å; K854-T885 WeakPolarHBondContact O-CG2 3.44Å |
| 855 | E | 90.2 | Very high | 94.3 | Very high | 85 Ų | 85 | 33.4 Ų | 33.4 | 40% | 0.397 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -16.4 | 177.7 | -65.6 | 174.9 | -138.4 | 0 | 0 | 112.6 | R826 A852 L853 | R826-E855 VanDerWaalsContact CD-OE2 3.31Å; R826-E855 WeakPolarHBondContact CD-OE2 3.45Å; R826-E855 HydrophobicContact CG-CB 3.93Å; R826-E855 HydrophobicContact CG-CG 4.43Å; R826-E855 WeakPolarHBondContact CG-OE2 3.36Å; R826-E855 IonicContact CZ-OE1 2.79Å; R826-E855 IonicContact CZ-OE2 2.79Å; R826-E855 IonicContact NE-OE1 2.75Å; R826-E855 PolarHBondContact NE-OE1 3.34Å; R826-E855 IonicContact NE-OE2 3.81Å; R826-E855 PolarHBondContact NE-OE2 3.07Å; R826-E855 IonicContact NH2-OE1 2.73Å; R826-E855 PolarHBondContact NH2-OE1 2.92Å; R826-E855 CarbonylContact O-C 3.41Å; A852-E855 PolarHBondContact O-N 3.45Å; L853-E855 PolarHBondContact O-N 3.3Å |
| 856 | N | 91.8 | Very high | 94.2 | Very high | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | trans | -86.3 | 116 | -176.5 | -178.1 | -83.3 | 0 | 0 | 0 | 112.1 | L825 L853 V858 L859 T885 | L825-N856 PolarHBondContact O-ND2 3.44Å; L853-N856 HydrophobicContact CD2-CB 3.91Å; L853-N856 PolarHBondContact O-N 3.01Å; L853-N856 VanDerWaalsContact O-N 3.11Å; N856-V858 PolarHBondContact OD1-N 3.21Å; N856-L859 WeakPolarHBondContact OD1-CB 3.49Å; N856-L859 PolarHBondContact OD1-N 3.3Å; N856-T885 VanDerWaalsContact O-CB 3.24Å; N856-T885 WeakPolarHBondContact O-CB 3.43Å; N856-T885 PolarHBondContact O-OG1 3.28Å | ||
| 857 | T | 90.2 | Very high | 94.2 | Very high | 94 Ų | 94 | 38.2 Ų | 38.2 | 58% | 0.577 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -100.4 | 7.2 | 179.6 | 63.4 | 0 | 0 | 0 | 0 | 114.6 | R860 T885 | T857-R860 PolarHBondContact O-NH1 3.16Å; T857-R860 PolarHBondContact O-NH2 3.18Å; T857-T885 VanDerWaalsContact CA-O 3.31Å; T857-T885 WeakPolarHBondContact CA-O 3.41Å |
| 858 | V | 93.7 | Very high | 94.1 | Very high | 30 Ų | 30 | 39.5 Ų | 39.5 | 18% | 0.182 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -110.1 | -36.2 | -168.2 | -179.9 | 0 | 0 | 0 | 0 | 112.5 | H828 T832 N856 R860 | H828-V858 WeakPolarHBondContact O-CG2 3.4Å; T832-V858 HydrophobicContact CG2-CG1 4.32Å; N856-V858 PolarHBondContact OD1-N 3.21Å; V858-R860 VanDerWaalsContact C-NH1 3.34Å; V858-R860 PolarHBondContact O-NH1 3.08Å |
| 859 | L | 93.6 | Very high | 94 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | trans | -63.1 | 137.5 | -178.7 | -164.9 | 69.5 | 0 | 0 | 0 | 109.8 | L831 L834 L853 N856 F862 L887 | L831-L859 HydrophobicContact CG-CD1 4.41Å; L831-L859 WeakPolarHBondContact O-CA 3.26Å; L831-L859 WeakPolarHBondContact O-CD1 3.33Å; L834-L859 HydrophobicContact CB-CD1 4Å; L853-L859 HydrophobicContact CD1-CD2 4.19Å; L853-L859 HydrophobicContact CD2-CB 4.39Å; L853-L859 HydrophobicContact CD2-CD2 3.55Å; N856-L859 WeakPolarHBondContact OD1-CB 3.49Å; N856-L859 PolarHBondContact OD1-N 3.3Å; L859-F862 HydrophobicContact CD2-CB 3.99Å; L859-F862 HydrophobicContact CD2-CD1 4.05Å; L859-F862 HydrophobicContact CD2-CG 4.03Å; L859-L887 HydrophobicContact CD2-CD1 4.33Å; L859-L887 HydrophobicContact CG-CD1 4.22Å | ||
| 860 | R | 94.6 | Very high | 93.9 | Very high | 89 Ų | 89 | 41.7 Ų | 41.7 | 34% | 0.336 | 20% | 0.2 | S | C | . | . | trans | -121.7 | -38.8 | -177.1 | -61 | -61.3 | 173.6 | -109.8 | 0.5 | 111.9 | T832 T857 V858 G886 S888 H889 | T832-R860 HydrophobicContact CG2-CG 4.3Å; T832-R860 PolarHBondContact O-N 3.35Å; T857-R860 PolarHBondContact O-NH1 3.16Å; T857-R860 PolarHBondContact O-NH2 3.18Å; V858-R860 VanDerWaalsContact C-NH1 3.34Å; V858-R860 PolarHBondContact O-NH1 3.08Å; R860-G886 WeakPolarHBondContact CD-O 3.46Å; R860-G886 PolarHBondContact NH1-O 3.29Å; R860-S888 WeakPolarHBondContact O-CA 3.46Å; R860-S888 WeakPolarHBondContact O-CB 3.4Å; R860-S888 PolarHBondContact O-N 2.88Å; R860-H889 PolarHBondContact O-N 2.91Å | ||
| 861 | I | 94.5 | Very high | 93.8 | Very high | 38 Ų | 38 | 43.6 Ų | 43.6 | 20% | 0.195 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 122.5 | -177.7 | -52.2 | 176.4 | 0 | 0 | 0 | 109.1 | T832 L834 W863 H889 | T832-I861 PolarHBondContact O-N 3.29Å; L834-I861 PolarHBondContact N-O 3.22Å; L834-I861 VanDerWaalsContact N-O 3.09Å; I861-W863 HydrophobicContact CB-CH2 4.01Å; I861-W863 HydrophobicContact CB-CZ2 4.48Å; I861-W863 HydrophobicContact CB-CZ3 4.13Å; I861-W863 HydrophobicContact CD1-CH2 4.36Å; I861-W863 HydrophobicContact CG2-CD2 3.94Å; I861-W863 HydrophobicContact CG2-CE3 3.89Å; I861-W863 HydrophobicContact CG2-CH2 3.31Å; I861-W863 HydrophobicContact CG2-CZ2 3.35Å; I861-W863 HydrophobicContact CG2-CZ3 3.59Å; I861-H889 HydrophobicContact CG1-CB 4.4Å; I861-H889 HydrophobicContact CG2-CB 4.17Å |
| 862 | F | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 118.3 | 177.4 | -163.8 | -175 | 0 | 0 | 0 | 111.2 | L834 L836 L849 L853 L859 L864 W877 L887 H889 L890 W891 | L834-F862 HydrophobicContact CB-CD2 4.21Å; L834-F862 HydrophobicContact CB-CE2 4.4Å; L834-F862 HydrophobicContact CD2-CD2 4.3Å; L834-F862 HydrophobicContact CD2-CE2 3.71Å; L834-F862 HydrophobicContact CD2-CZ 4.11Å; L834-F862 HydrophobicContact CG-CD2 4.22Å; L834-F862 HydrophobicContact CG-CE2 3.92Å; L834-F862 WeakPolarHBondContact O-CA 3.36Å; L834-F862 WeakPolarHBondContact O-CD2 3.14Å; L836-F862 HydrophobicContact CB-CE2 4.25Å; L836-F862 HydrophobicContact CD1-CE2 4.11Å; L836-F862 HydrophobicContact CD1-CZ 4.1Å; L836-F862 HydrophobicContact CG-CE2 4.05Å; L849-F862 HydrophobicContact CB-CE1 4.45Å; L849-F862 HydrophobicContact CD1-CE1 4.41Å; L849-F862 HydrophobicContact CD1-CZ 3.98Å; L849-F862 HydrophobicContact CD2-CE1 4.45Å; L849-F862 HydrophobicContact CD2-CZ 4.09Å; L853-F862 HydrophobicContact CD1-CD1 3.57Å; L853-F862 HydrophobicContact CD1-CE1 3.59Å; L859-F862 HydrophobicContact CD2-CB 3.99Å; L859-F862 HydrophobicContact CD2-CD1 4.05Å; L859-F862 HydrophobicContact CD2-CG 4.03Å; F862-L864 HydrophobicContact CD1-CD1 3.99Å; F862-L864 HydrophobicContact CD1-CG 4.36Å; F862-L864 HydrophobicContact CD2-CD2 4.46Å; F862-L864 HydrophobicContact CD2-CG 4.09Å; F862-L864 HydrophobicContact CE1-CD1 3.74Å; F862-L864 HydrophobicContact CE1-CD2 4.3Å; F862-L864 HydrophobicContact CE1-CG 4.12Å; F862-L864 HydrophobicContact CE2-CD1 4.36Å; F862-L864 HydrophobicContact CE2-CD2 3.72Å; F862-L864 HydrophobicContact CE2-CG 3.83Å; F862-L864 HydrophobicContact CG-CD1 4.43Å; F862-L864 HydrophobicContact CG-CG 4.37Å; F862-L864 HydrophobicContact CZ-CD1 3.95Å; F862-L864 HydrophobicContact CZ-CD2 3.64Å; F862-L864 HydrophobicContact CZ-CG 3.86Å; F862-W877 HydrophobicContact CD1-CH2 4.36Å; F862-W877 HydrophobicContact CE1-CH2 4.02Å; F862-L887 HydrophobicContact CB-CD1 4.31Å; F862-H889 PolarHBondContact N-O 2.95Å; F862-H889 VanDerWaalsContact N-O 3.07Å; F862-L890 HydrophobicContact CB-CD1 4.02Å; F862-L890 HydrophobicContact CD1-CD1 4.27Å; F862-L890 HydrophobicContact CG-CD1 4.44Å; F862-W891 PolarHBondContact O-N 3.49Å |
| 863 | W | 95.9 | Very high | 93.9 | Very high | 78 Ų | 78 | 42.6 Ų | 42.6 | 30% | 0.295 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 117.4 | 173.8 | -64.6 | -86.3 | 0 | 0 | 0 | 111.7 | N833 L834 L836 A837 I861 W891 | N833-W863 HydrophobicContact CB-CZ3 4.11Å; L834-W863 PolarHBondContact O-N 2.96Å; L836-W863 CarbonylContact C-O 3.58Å; L836-W863 PolarHBondContact N-O 2.89Å; A837-W863 HydrophobicContact CB-CB 4.36Å; A837-W863 PolarHBondContact N-O 3.4Å; I861-W863 HydrophobicContact CB-CH2 4.01Å; I861-W863 HydrophobicContact CB-CZ2 4.48Å; I861-W863 HydrophobicContact CB-CZ3 4.13Å; I861-W863 HydrophobicContact CD1-CH2 4.36Å; I861-W863 HydrophobicContact CG2-CD2 3.94Å; I861-W863 HydrophobicContact CG2-CE3 3.89Å; I861-W863 HydrophobicContact CG2-CH2 3.31Å; I861-W863 HydrophobicContact CG2-CZ2 3.35Å; I861-W863 HydrophobicContact CG2-CZ3 3.59Å; W863-W891 AromaticContact CD1-CD1 3.27Å; W863-W891 AromaticContact CD1-CG 3.46Å; W863-W891 VanDerWaalsContact CD1-CG 3.46Å; W863-W891 AromaticContact CD1-NE1 3.91Å; W863-W891 AromaticContact CE2-CD1 3.98Å; W863-W891 HydrophobicContact CG-CB 4.45Å; W863-W891 AromaticContact CG-CD1 3.87Å; W863-W891 HydrophobicContact CG-CG 4.31Å; W863-W891 AromaticContact NE1-CD1 3.31Å; W863-W891 VanDerWaalsContact NE1-CD1 3.31Å; W863-W891 AromaticContact NE1-CG 3.77Å; W863-W891 AromaticContact NE1-NE1 3.45Å |
| 864 | L | 95.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -124.3 | 27 | 174.3 | -69.1 | 167.9 | 0 | 0 | 0 | 111.9 | L836 I841 L849 F862 N867 M869 W877 L890 W891 F892 N895 | L836-L864 HydrophobicContact CB-CD2 4.08Å; I841-L864 HydrophobicContact CD1-CD2 4.26Å; L849-L864 HydrophobicContact CD1-CD2 4.15Å; F862-L864 HydrophobicContact CD1-CD1 3.99Å; F862-L864 HydrophobicContact CD1-CG 4.36Å; F862-L864 HydrophobicContact CD2-CD2 4.46Å; F862-L864 HydrophobicContact CD2-CG 4.09Å; F862-L864 HydrophobicContact CE1-CD1 3.74Å; F862-L864 HydrophobicContact CE1-CD2 4.3Å; F862-L864 HydrophobicContact CE1-CG 4.12Å; F862-L864 HydrophobicContact CE2-CD1 4.36Å; F862-L864 HydrophobicContact CE2-CD2 3.72Å; F862-L864 HydrophobicContact CE2-CG 3.83Å; F862-L864 HydrophobicContact CG-CD1 4.43Å; F862-L864 HydrophobicContact CG-CG 4.37Å; F862-L864 HydrophobicContact CZ-CD1 3.95Å; F862-L864 HydrophobicContact CZ-CD2 3.64Å; F862-L864 HydrophobicContact CZ-CG 3.86Å; L864-N867 PolarHBondContact O-ND2 3.01Å; L864-M869 HydrophobicContact CB-CE 3.73Å; L864-M869 HydrophobicContact CD1-CE 4.13Å; L864-M869 HydrophobicContact CG-CE 4.4Å; L864-W877 HydrophobicContact CD1-CH2 3.42Å; L864-W877 VanDerWaalsContact CD1-CH2 3.42Å; L864-W877 HydrophobicContact CD1-CZ2 3.52Å; L864-W877 HydrophobicContact CD1-CZ3 4.36Å; L864-L890 HydrophobicContact CD1-CD1 4.44Å; L864-W891 CarbonylContact C-O 3.4Å; L864-W891 VanDerWaalsContact C-O 3.26Å; L864-W891 WeakPolarHBondContact CA-O 3.14Å; L864-W891 PolarHBondContact N-O 2.92Å; L864-F892 HydrophobicContact CB-CD1 4.16Å; L864-F892 HydrophobicContact CB-CE1 4.29Å; L864-F892 HydrophobicContact CD1-CD1 4.41Å; L864-F892 HydrophobicContact CD1-CE1 3.71Å; L864-N895 PolarHBondContact O-ND2 3.39Å | ||
| 865 | V | 93.9 | Very high | 94.1 | Very high | 23 Ų | 23 | 41.9 Ų | 41.9 | 14% | 0.139 | 21% | 0.208 | C | C | . | . | trans | -57 | 144.3 | 178.3 | 175.2 | 0 | 0 | 0 | 0 | 111.5 | A837 A838 N867 W891 I893 | A837-V865 CarbonylContact C-O 3.26Å; A837-V865 VanDerWaalsContact C-O 3.28Å; A837-V865 WeakPolarHBondContact CA-O 3.26Å; A837-V865 HydrophobicContact CB-CB 3.73Å; A837-V865 WeakPolarHBondContact CB-O 3.34Å; A838-V865 PolarHBondContact N-O 3.08Å; V865-N867 PolarHBondContact O-N 3.13Å; V865-W891 HydrophobicContact CG2-CB 3.76Å; V865-W891 PolarHBondContact N-O 3.13Å; V865-I893 CarbonylContact C-O 3.56Å; V865-I893 WeakPolarHBondContact CA-O 3.43Å; V865-I893 HydrophobicContact CB-CB 4.21Å; V865-I893 HydrophobicContact CG1-CB 3.74Å; V865-I893 HydrophobicContact CG1-CG2 4.02Å; V865-I893 HydrophobicContact CG2-CB 3.83Å; V865-I893 HydrophobicContact CG2-CD1 4.18Å; V865-I893 HydrophobicContact CG2-CG1 4.16Å | ||
| 866 | Q | 93.1 | Very high | 94.3 | Very high | 95 Ų | 95 | 40.2 Ų | 40.2 | 44% | 0.444 | 20% | 0.2 | S | C | . | . | S | Bend | trans | 57 | 47.6 | 175.4 | -72.3 | 177 | -28.3 | 0 | 0 | 113.8 | A838 I893 N894 | A838-Q866 WeakPolarHBondContact CA-O 3.5Å; A838-Q866 HydrophobicContact CB-CB 3.98Å; A838-Q866 PolarHBondContact N-O 3.47Å; Q866-I893 PolarHBondContact N-O 2.98Å; Q866-N894 VanDerWaalsContact CA-O 3.28Å; Q866-N894 WeakPolarHBondContact CA-O 3.44Å; Q866-N894 HydrophobicContact CB-CB 4.49Å; Q866-N894 HydrophobicContact CG-CB 3.63Å |
| 867 | N | 96.4 | Very high | 94.5 | Very high | 6 Ų | 6 | 40 Ų | 40 | 3% | 0.032 | 20% | 0.199 | C | C | . | . | trans | -114.8 | -175.5 | 172.6 | -79.4 | -56.9 | 0 | 0 | 0 | 110.2 | L836 N839 G840 I841 L864 V865 M869 N895 | L836-N867 PolarHBondContact O-ND2 2.79Å; N839-N867 PolarHBondContact N-OD1 2.84Å; G840-N867 PolarHBondContact N-OD1 3.06Å; I841-N867 HydrophobicContact CB-CB 4.31Å; I841-N867 PolarHBondContact N-OD1 3.38Å; I841-N867 VanDerWaalsContact N-OD1 3.13Å; I841-N867 WeakPolarHBondContact O-CB 3.2Å; L864-N867 PolarHBondContact O-ND2 3.01Å; V865-N867 PolarHBondContact O-N 3.13Å; N867-M869 HydrophobicContact CB-CE 4.17Å; N867-N895 WeakPolarHBondContact CA-OD1 3.42Å; N867-N895 WeakPolarHBondContact CB-OD1 3.47Å; N867-N895 PolarHBondContact N-OD1 3.16Å; N867-N895 PolarHBondContact O-OD1 3.26Å; N867-N895 VanDerWaalsContact O-OD1 3.14Å | ||
| 868 | E | 94.3 | Very high | 94.7 | Very high | 91 Ų | 91 | 35.8 Ų | 35.8 | 43% | 0.425 | 17% | 0.174 | S | C | . | . | B | Isolated β-bridge | trans | -111.9 | 31.5 | -173.4 | -58 | -163.2 | -160.4 | 0 | 0 | 112.8 | I841 T842 K896 | I841-E868 CarbonylContact O-C 3.22Å; I841-E868 WeakPolarHBondContact O-CA 3.46Å; I841-E868 PolarHBondContact O-N 3.06Å; T842-E868 HydrophobicContact CG2-CB 4.45Å; E868-K896 HydrophobicContact CB-CD 4.37Å; E868-K896 IonicContact OE2-NZ 2.64Å; E868-K896 PolarHBondContact OE2-NZ 3.33Å |
| 869 | M | 94.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -75.1 | 135.4 | 177.2 | -66.1 | 176.3 | -71.5 | 0 | 0 | 111.1 | L864 N867 W877 F892 N895 K896 F897 | L864-M869 HydrophobicContact CB-CE 3.73Å; L864-M869 HydrophobicContact CD1-CE 4.13Å; L864-M869 HydrophobicContact CG-CE 4.4Å; N867-M869 HydrophobicContact CB-CE 4.17Å; M869-W877 HydrophobicContact SD-CZ2 4.13Å; M869-F892 HydrophobicContact CE-CD1 3.56Å; M869-F892 HydrophobicContact CE-CE1 3.64Å; M869-F892 HydrophobicContact SD-CE1 4.14Å; M869-N895 WeakPolarHBondContact CE-OD1 3.5Å; M869-N895 PolarHBondContact N-OD1 2.94Å; M869-K896 CarbonylContact O-C 3.45Å; M869-K896 VanDerWaalsContact O-CA 3.3Å; M869-K896 WeakPolarHBondContact O-CA 3.31Å; M869-K896 WeakPolarHBondContact O-CB 3.4Å; M869-K896 PolarHBondContact O-N 3.38Å; M869-F897 HydrophobicContact CB-CE2 3.9Å; M869-F897 HydrophobicContact CB-CZ 3.7Å | ||
| 870 | M | 93.9 | Very high | 94.7 | Very high | 89 Ų | 89 | 38.7 Ų | 38.7 | 44% | 0.438 | 19% | 0.186 | S | C | . | . | B | Isolated β-bridge | trans | -117.6 | 175.5 | 179.5 | -56.2 | 175.2 | -65.1 | 0 | 0 | 110.3 | S843 D872 S873 K896 F897 | S843-M870 PolarHBondContact OG-N 3.36Å; S843-M870 PolarHBondContact OG-O 3.26Å; M870-D872 PolarHBondContact O-N 3.41Å; M870-S873 PolarHBondContact O-N 2.54Å; M870-S873 PolarHBondContact O-OG 3.38Å; M870-K896 HydrophobicContact CG-CB 3.83Å; M870-K896 HydrophobicContact CG-CD 4.26Å; M870-F897 WeakPolarHBondContact O-CE1 3.38Å |
| 871 | D | 94.4 | Very high | 94.6 | Very high | 41 Ų | 41 | 34.7 Ų | 34.7 | 22% | 0.219 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -56.1 | -25.4 | -176.4 | -63.9 | -18.7 | 0 | 0 | 0 | 114.5 | S873 A874 P875 F897 T898 G901 | D871-S873 PolarHBondContact O-N 3.21Å; D871-S873 VanDerWaalsContact O-N 3.16Å; D871-A874 VanDerWaalsContact O-CB 3.23Å; D871-A874 WeakPolarHBondContact O-CB 3.26Å; D871-A874 PolarHBondContact O-N 3.01Å; D871-P875 WeakPolarHBondContact O-CD 3.31Å; D871-F897 WeakPolarHBondContact OD1-CA 3.35Å; D871-T898 PolarHBondContact OD1-N 3.32Å; D871-T898 WeakPolarHBondContact OD2-CB 3.37Å; D871-T898 WeakPolarHBondContact OD2-CG2 3.49Å; D871-T898 PolarHBondContact OD2-OG1 3.22Å; D871-G901 VanDerWaalsContact OD1-CA 3.26Å; D871-G901 WeakPolarHBondContact OD1-CA 3.42Å; D871-G901 PolarHBondContact OD1-N 3.41Å |
| 872 | D | 94.9 | Very high | 94.5 | Very high | 71 Ų | 71 | 37.8 Ų | 37.8 | 38% | 0.38 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -65.1 | -17.8 | 178.6 | 74.1 | -51.9 | 0 | 0 | 0 | 113.5 | S843 K847 M870 Q876 | S843-D872 VanDerWaalsContact CB-CG 3.44Å; S843-D872 WeakPolarHBondContact CB-OD1 3.39Å; S843-D872 WeakPolarHBondContact CB-OD2 2.85Å; S843-D872 PolarHBondContact OG-OD1 2.97Å; K847-D872 WeakPolarHBondContact CE-O 3.35Å; K847-D872 PolarHBondContact NZ-O 3.12Å; K847-D872 VanDerWaalsContact NZ-O 3.16Å; K847-D872 IonicContact NZ-OD2 3.18Å; K847-D872 PolarHBondContact NZ-OD2 3.28Å; M870-D872 PolarHBondContact O-N 3.41Å; D872-Q876 PolarHBondContact O-OE1 3.38Å |
| 873 | S | 94.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -93.5 | -12.1 | 171.9 | 65.9 | 0 | 0 | 0 | 0 | 114 | M870 D871 P875 Q876 W877 | M870-S873 PolarHBondContact O-N 2.54Å; M870-S873 PolarHBondContact O-OG 3.38Å; D871-S873 PolarHBondContact O-N 3.21Å; D871-S873 VanDerWaalsContact O-N 3.16Å; S873-P875 VanDerWaalsContact C-CD 3.47Å; S873-Q876 PolarHBondContact O-N 3.47Å; S873-Q876 PolarHBondContact O-OE1 2.89Å; S873-W877 PolarHBondContact O-N 2.83Å |
| 874 | A | 94.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.5 | -37.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | D871 Q876 W877 A878 F897 H904 F905 | D871-A874 VanDerWaalsContact O-CB 3.23Å; D871-A874 WeakPolarHBondContact O-CB 3.26Å; D871-A874 PolarHBondContact O-N 3.01Å; A874-Q876 PolarHBondContact O-N 3.38Å; A874-W877 PolarHBondContact O-N 3.07Å; A874-A878 WeakPolarHBondContact O-CB 3.47Å; A874-A878 PolarHBondContact O-N 3.31Å; A874-F897 HydrophobicContact CB-CD1 4.45Å; A874-F897 HydrophobicContact CB-CE1 4.15Å; A874-H904 HydrophobicContact CB-CB 4.16Å; A874-F905 HydrophobicContact CB-CE1 3.9Å; A874-F905 HydrophobicContact CB-CZ 4.21Å |
| 875 | P | 95.3 | Very high | 92.9 | Very high | 43 Ų | 43 | 39.4 Ų | 39.4 | 28% | 0.279 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.9 | -42.5 | 176.3 | -26.6 | 36.2 | 0 | 0 | 0 | 113.4 | D871 S873 W877 A878 E879 | D871-P875 WeakPolarHBondContact O-CD 3.31Å; S873-P875 VanDerWaalsContact C-CD 3.47Å; P875-W877 PolarHBondContact O-N 3.33Å; P875-A878 WeakPolarHBondContact O-CB 3.31Å; P875-A878 PolarHBondContact O-N 2.72Å; P875-E879 WeakPolarHBondContact O-CG 3.44Å; P875-E879 PolarHBondContact O-N 2.86Å |
| 876 | Q | 95.9 | Very high | 92.5 | Very high | 50 Ų | 50 | 38.9 Ų | 38.9 | 23% | 0.234 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.5 | -38.1 | -179.6 | -68.7 | 74.1 | 22.1 | 0 | 0 | 111.7 | K847 A850 D872 S873 A874 E879 L880 | K847-Q876 HydrophobicContact CB-CG 4.32Å; K847-Q876 HydrophobicContact CG-CB 4.37Å; K847-Q876 HydrophobicContact CG-CG 3.95Å; A850-Q876 HydrophobicContact CB-CB 3.91Å; D872-Q876 PolarHBondContact O-OE1 3.38Å; S873-Q876 PolarHBondContact O-N 3.47Å; S873-Q876 PolarHBondContact O-OE1 2.89Å; A874-Q876 PolarHBondContact O-N 3.38Å; Q876-E879 PolarHBondContact O-N 3.13Å; Q876-L880 PolarHBondContact O-N 3.21Å |
| 877 | W | 95.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.2 | -37.9 | 172.9 | -73 | 117.2 | 0 | 0 | 0 | 112.1 | G846 L849 A850 L853 F862 L864 M869 S873 A874 P875 L880 I881 L890 F892 F905 | G846-W877 WeakPolarHBondContact O-CZ2 3.26Å; L849-W877 HydrophobicContact CB-CH2 4.1Å; L849-W877 HydrophobicContact CB-CZ2 4.34Å; A850-W877 HydrophobicContact CB-CD2 3.73Å; A850-W877 HydrophobicContact CB-CE3 3.79Å; A850-W877 HydrophobicContact CB-CG 4.24Å; A850-W877 HydrophobicContact CB-CH2 4.32Å; A850-W877 HydrophobicContact CB-CZ2 4.3Å; A850-W877 HydrophobicContact CB-CZ3 4.1Å; L853-W877 HydrophobicContact CD1-CH2 4.49Å; L853-W877 HydrophobicContact CD1-CZ3 4.22Å; F862-W877 HydrophobicContact CD1-CH2 4.36Å; F862-W877 HydrophobicContact CE1-CH2 4.02Å; L864-W877 HydrophobicContact CD1-CH2 3.42Å; L864-W877 VanDerWaalsContact CD1-CH2 3.42Å; L864-W877 HydrophobicContact CD1-CZ2 3.52Å; L864-W877 HydrophobicContact CD1-CZ3 4.36Å; M869-W877 HydrophobicContact SD-CZ2 4.13Å; S873-W877 PolarHBondContact O-N 2.83Å; A874-W877 PolarHBondContact O-N 3.07Å; P875-W877 PolarHBondContact O-N 3.33Å; W877-L880 HydrophobicContact CE3-CD2 3.64Å; W877-L880 HydrophobicContact CZ3-CD2 3.56Å; W877-L880 WeakPolarHBondContact O-CB 3.35Å; W877-L880 PolarHBondContact O-N 3.34Å; W877-I881 WeakPolarHBondContact O-CD1 3.35Å; W877-I881 VanDerWaalsContact O-CG1 3.24Å; W877-I881 WeakPolarHBondContact O-CG1 3.22Å; W877-I881 PolarHBondContact O-N 2.8Å; W877-L890 HydrophobicContact CE3-CD2 4.15Å; W877-L890 HydrophobicContact CZ3-CD1 4.28Å; W877-L890 HydrophobicContact CZ3-CD2 4.43Å; W877-F892 HydrophobicContact CD2-CE1 4.2Å; W877-F892 AromaticContact CD2-CZ 3.53Å; W877-F892 HydrophobicContact CD2-CZ 3.53Å; W877-F892 AromaticContact CE2-CE1 3.87Å; W877-F892 AromaticContact CE2-CZ 3.71Å; W877-F892 AromaticContact CE3-CZ 3.81Å; W877-F892 HydrophobicContact CE3-CZ 3.81Å; W877-F892 AromaticContact CG-CZ 3.85Å; W877-F892 HydrophobicContact CG-CZ 3.85Å; W877-F892 HydrophobicContact CH2-CZ 4.45Å; W877-F892 HydrophobicContact CZ2-CE1 4.08Å; W877-F892 HydrophobicContact CZ2-CZ 4.18Å; W877-F892 HydrophobicContact CZ3-CZ 4.26Å; W877-F905 HydrophobicContact CB-CD1 4.45Å; W877-F905 HydrophobicContact CB-CE1 3.62Å; W877-F905 HydrophobicContact CB-CZ 4.27Å; W877-F905 HydrophobicContact CG-CE1 4.48Å |
| 878 | A | 93.6 | Very high | 92.3 | Very high | 6 Ų | 6 | 35.8 Ų | 35.8 | 5% | 0.05 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.3 | -44.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A874 P875 L880 I881 Q882 H904 A908 | A874-A878 WeakPolarHBondContact O-CB 3.47Å; A874-A878 PolarHBondContact O-N 3.31Å; P875-A878 WeakPolarHBondContact O-CB 3.31Å; P875-A878 PolarHBondContact O-N 2.72Å; A878-L880 VanDerWaalsContact C-N 3.32Å; A878-L880 PolarHBondContact O-N 3.4Å; A878-I881 PolarHBondContact O-N 3.02Å; A878-Q882 VanDerWaalsContact O-CG 3.29Å; A878-Q882 WeakPolarHBondContact O-CG 3.35Å; A878-Q882 PolarHBondContact O-N 3.39Å; A878-H904 HydrophobicContact CB-CB 4.11Å; A878-A908 HydrophobicContact CB-CB 3.88Å; A878-A908 WeakPolarHBondContact O-CB 3.46Å |
| 879 | E | 94.1 | Very high | 92.3 | Very high | 89 Ų | 89 | 33.5 Ų | 33.5 | 42% | 0.416 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61.3 | -39.1 | 173.7 | -71.4 | 174.2 | -173.3 | 0 | 0 | 112.2 | K854 P875 Q876 Q882 A883 | K854-E879 IonicContact NZ-OE2 2.79Å; K854-E879 PolarHBondContact NZ-OE2 3.3Å; P875-E879 WeakPolarHBondContact O-CG 3.44Å; P875-E879 PolarHBondContact O-N 2.86Å; Q876-E879 PolarHBondContact O-N 3.13Å; E879-Q882 PolarHBondContact O-N 2.65Å; E879-A883 WeakPolarHBondContact O-CB 3.49Å; E879-A883 PolarHBondContact O-N 3.06Å |
| 880 | L | 93.9 | Very high | 92.3 | Very high | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.2 | -44.8 | 173 | 172.9 | 65.3 | 0 | 0 | 0 | 111.8 | L853 K854 Q876 W877 A878 Q882 A883 T885 | L853-L880 HydrophobicContact CB-CD1 3.59Å; L853-L880 HydrophobicContact CB-CD2 3.75Å; L853-L880 HydrophobicContact CB-CG 4.34Å; L853-L880 HydrophobicContact CD1-CD2 3.96Å; L853-L880 WeakPolarHBondContact O-CD1 3.26Å; K854-L880 HydrophobicContact CG-CD1 4.19Å; Q876-L880 PolarHBondContact O-N 3.21Å; W877-L880 HydrophobicContact CE3-CD2 3.64Å; W877-L880 HydrophobicContact CZ3-CD2 3.56Å; W877-L880 WeakPolarHBondContact O-CB 3.35Å; W877-L880 PolarHBondContact O-N 3.34Å; A878-L880 VanDerWaalsContact C-N 3.32Å; A878-L880 PolarHBondContact O-N 3.4Å; L880-Q882 VanDerWaalsContact C-N 3.29Å; L880-Q882 PolarHBondContact O-N 3.03Å; L880-A883 WeakPolarHBondContact O-CB 3.23Å; L880-A883 PolarHBondContact O-N 3.22Å; L880-T885 HydrophobicContact CD1-CG2 4.11Å |
| 881 | I | 92.4 | Very high | 92.4 | Very high | 5 Ų | 5 | 31.7 Ų | 31.7 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.6 | -43.5 | 177.4 | -67.2 | 160.1 | 0 | 0 | 0 | 109.3 | W877 A878 A883 D884 F905 A908 L909 N912 L915 I918 | W877-I881 WeakPolarHBondContact O-CD1 3.35Å; W877-I881 VanDerWaalsContact O-CG1 3.24Å; W877-I881 WeakPolarHBondContact O-CG1 3.22Å; W877-I881 PolarHBondContact O-N 2.8Å; A878-I881 PolarHBondContact O-N 3.02Å; I881-A883 VanDerWaalsContact C-N 3.31Å; I881-A883 PolarHBondContact O-N 3.43Å; I881-D884 PolarHBondContact O-N 3.43Å; I881-F905 HydrophobicContact CD1-CB 4.39Å; I881-F905 HydrophobicContact CD1-CD1 4.06Å; I881-F905 HydrophobicContact CD1-CG 4.41Å; I881-A908 HydrophobicContact CB-CB 3.84Å; I881-A908 HydrophobicContact CD1-CB 4.43Å; I881-A908 HydrophobicContact CG2-CB 3.73Å; I881-L909 HydrophobicContact CG2-CD2 4.23Å; I881-L909 HydrophobicContact CG2-CG 4.43Å; I881-N912 HydrophobicContact CG2-CB 3.79Å; I881-N912 WeakPolarHBondContact O-CB 3.44Å; I881-N912 PolarHBondContact O-ND2 3.14Å; I881-L915 HydrophobicContact CG1-CD2 3.96Å; I881-L915 HydrophobicContact CG2-CD2 4.06Å; I881-I918 HydrophobicContact CD1-CD1 3.58Å; I881-I918 HydrophobicContact CG1-CD1 4.29Å |
| 882 | Q | 91.9 | Very high | 92.4 | Very high | 104 Ų | 104 | 29.8 Ų | 29.8 | 49% | 0.486 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -64.2 | -33.1 | 176.8 | -68.9 | 173.2 | 5.6 | 0 | 0 | 113.1 | A878 E879 L880 D884 A908 T911 | A878-Q882 VanDerWaalsContact O-CG 3.29Å; A878-Q882 WeakPolarHBondContact O-CG 3.35Å; A878-Q882 PolarHBondContact O-N 3.39Å; E879-Q882 PolarHBondContact O-N 2.65Å; L880-Q882 VanDerWaalsContact C-N 3.29Å; L880-Q882 PolarHBondContact O-N 3.03Å; Q882-D884 PolarHBondContact O-N 3.32Å; Q882-A908 HydrophobicContact CG-CB 3.89Å; Q882-T911 WeakPolarHBondContact CG-OG1 3.48Å |
| 883 | A | 88.9 | Confident | 92.3 | Very high | 52 Ų | 52 | 28 Ų | 28 | 43% | 0.43 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -67.4 | -15 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | K854 E879 L880 I881 T885 | K854-A883 HydrophobicContact CG-CB 4.44Å; E879-A883 WeakPolarHBondContact O-CB 3.49Å; E879-A883 PolarHBondContact O-N 3.06Å; L880-A883 WeakPolarHBondContact O-CB 3.23Å; L880-A883 PolarHBondContact O-N 3.22Å; I881-A883 VanDerWaalsContact C-N 3.31Å; I881-A883 PolarHBondContact O-N 3.43Å; A883-T885 HydrophobicContact CB-CG2 3.98Å; A883-T885 PolarHBondContact O-N 3.03Å |
| 884 | D | 81.3 | Confident | 92.2 | Very high | 39 Ų | 39 | 31.3 Ų | 31.3 | 21% | 0.209 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 49 | 172.3 | -167.9 | 36.1 | 0 | 0 | 0 | 115.6 | I881 Q882 G886 N912 K914 | I881-D884 PolarHBondContact O-N 3.43Å; Q882-D884 PolarHBondContact O-N 3.32Å; D884-G886 PolarHBondContact O-N 2.93Å; D884-G886 VanDerWaalsContact O-N 3.1Å; D884-N912 WeakPolarHBondContact CA-ND2 3.4Å; D884-N912 PolarHBondContact OD1-ND2 3.22Å; D884-K914 PolarHBondContact O-NZ 3.42Å; D884-K914 VanDerWaalsContact OD1-CB 3.22Å; D884-K914 WeakPolarHBondContact OD1-CB 3.39Å; D884-K914 VanDerWaalsContact OD1-CD 3.28Å; D884-K914 WeakPolarHBondContact OD1-CD 3.46Å; D884-K914 WeakPolarHBondContact OD1-CG 3.44Å; D884-K914 IonicContact OD1-NZ 3.58Å; D884-K914 WeakPolarHBondContact OD2-CD 3.26Å; D884-K914 WeakPolarHBondContact OD2-CE 3.43Å; D884-K914 IonicContact OD2-NZ 4Å; D884-K914 PolarHBondContact OD2-NZ 3.26Å |
| 885 | T | 83.9 | Confident | 92.2 | Very high | 20 Ų | 20 | 31.6 Ų | 31.6 | 12% | 0.123 | 17% | 0.172 | C | C | . | . | trans | -73.2 | -2 | -173.2 | 68.3 | 0 | 0 | 0 | 0 | 114.6 | L853 K854 N856 T857 L880 A883 | L853-T885 WeakPolarHBondContact O-CG2 3.38Å; K854-T885 WeakPolarHBondContact O-CG2 3.44Å; N856-T885 VanDerWaalsContact O-CB 3.24Å; N856-T885 WeakPolarHBondContact O-CB 3.43Å; N856-T885 PolarHBondContact O-OG1 3.28Å; T857-T885 VanDerWaalsContact CA-O 3.31Å; T857-T885 WeakPolarHBondContact CA-O 3.41Å; L880-T885 HydrophobicContact CD1-CG2 4.11Å; A883-T885 HydrophobicContact CB-CG2 3.98Å; A883-T885 PolarHBondContact O-N 3.03Å | ||
| 886 | G | 85.4 | Confident | 92.2 | Very high | 13 Ų | 13 | 33 Ų | 33 | 13% | 0.134 | 17% | 0.173 | C | C | . | . | S | Bend | trans | 95.7 | 6.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | R860 D884 S888 | R860-G886 WeakPolarHBondContact CD-O 3.46Å; R860-G886 PolarHBondContact NH1-O 3.29Å; D884-G886 PolarHBondContact O-N 2.93Å; D884-G886 VanDerWaalsContact O-N 3.1Å; G886-S888 PolarHBondContact O-N 3.1Å |
| 887 | L | 92 | Very high | 92.2 | Very high | 13 Ų | 13 | 30.7 Ų | 30.7 | 7% | 0.068 | 16% | 0.162 | C | C | . | . | trans | -58.1 | 132.9 | 167.9 | -169.7 | 69.4 | 0 | 0 | 0 | 109.9 | L859 F862 L890 L915 | L859-L887 HydrophobicContact CD2-CD1 4.33Å; L859-L887 HydrophobicContact CG-CD1 4.22Å; F862-L887 HydrophobicContact CB-CD1 4.31Å; L887-L890 HydrophobicContact CD2-CB 4.15Å; L887-L890 HydrophobicContact CD2-CD1 4.23Å; L887-L890 HydrophobicContact CD2-CD2 4.24Å; L887-L890 HydrophobicContact CD2-CG 4.45Å; L887-L915 HydrophobicContact CB-CD1 4.24Å; L887-L915 HydrophobicContact CD2-CD1 4.26Å; L887-L915 HydrophobicContact CG-CD1 4.06Å; L887-L915 VanDerWaalsContact O-CD1 3.26Å; L887-L915 WeakPolarHBondContact O-CD1 3.41Å | ||
| 888 | S | 92.8 | Very high | 92.1 | Very high | 23 Ų | 23 | 32.8 Ų | 32.8 | 16% | 0.161 | 18% | 0.175 | C | C | . | . | trans | -107.1 | -38.4 | -175.8 | -56.7 | 0 | 0 | 0 | 0 | 112.8 | R860 G886 K916 E917 | R860-S888 WeakPolarHBondContact O-CA 3.46Å; R860-S888 WeakPolarHBondContact O-CB 3.4Å; R860-S888 PolarHBondContact O-N 2.88Å; G886-S888 PolarHBondContact O-N 3.1Å; S888-K916 WeakPolarHBondContact O-CB 3.42Å; S888-K916 PolarHBondContact O-N 2.93Å; S888-E917 PolarHBondContact O-N 3.16Å | ||
| 889 | H | 94.6 | Very high | 92.1 | Very high | 42 Ų | 42 | 33.2 Ų | 33.2 | 19% | 0.194 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 132.2 | -179.1 | -51.1 | 77.3 | 0 | 0 | 0 | 110.7 | R860 I861 F862 W891 E917 | R860-H889 PolarHBondContact O-N 2.91Å; I861-H889 HydrophobicContact CG1-CB 4.4Å; I861-H889 HydrophobicContact CG2-CB 4.17Å; F862-H889 PolarHBondContact N-O 2.95Å; F862-H889 VanDerWaalsContact N-O 3.07Å; H889-W891 HydrophobicContact CB-CZ2 4.38Å; H889-E917 WeakPolarHBondContact CA-O 3.44Å; H889-E917 IonicContact CD2-OE2 2.66Å |
| 890 | L | 94.3 | Very high | 92 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 118.5 | 177.8 | -173.6 | 57.1 | 0 | 0 | 0 | 109.8 | F862 L864 W877 L887 F892 E917 I918 C919 | F862-L890 HydrophobicContact CB-CD1 4.02Å; F862-L890 HydrophobicContact CD1-CD1 4.27Å; F862-L890 HydrophobicContact CG-CD1 4.44Å; L864-L890 HydrophobicContact CD1-CD1 4.44Å; W877-L890 HydrophobicContact CE3-CD2 4.15Å; W877-L890 HydrophobicContact CZ3-CD1 4.28Å; W877-L890 HydrophobicContact CZ3-CD2 4.43Å; L887-L890 HydrophobicContact CD2-CB 4.15Å; L887-L890 HydrophobicContact CD2-CD1 4.23Å; L887-L890 HydrophobicContact CD2-CD2 4.24Å; L887-L890 HydrophobicContact CD2-CG 4.45Å; L890-F892 HydrophobicContact CD1-CE1 4.4Å; L890-F892 HydrophobicContact CD1-CE2 4.23Å; L890-F892 HydrophobicContact CD1-CZ 3.95Å; L890-F892 HydrophobicContact CD2-CD2 4.24Å; L890-F892 HydrophobicContact CD2-CE2 3.27Å; L890-F892 HydrophobicContact CD2-CZ 3.54Å; L890-F892 HydrophobicContact CG-CD2 4.03Å; L890-F892 HydrophobicContact CG-CE1 4.46Å; L890-F892 HydrophobicContact CG-CE2 3.46Å; L890-F892 VanDerWaalsContact CG-CE2 3.46Å; L890-F892 HydrophobicContact CG-CZ 3.7Å; L890-E917 PolarHBondContact N-O 3.5Å; L890-I918 HydrophobicContact CB-CG1 4.45Å; L890-I918 VanDerWaalsContact O-CA 3.29Å; L890-I918 WeakPolarHBondContact O-CA 3.48Å; L890-C919 PolarHBondContact O-N 2.91Å |
| 891 | W | 95.4 | Very high | 92 | Very high | 52 Ų | 52 | 31.6 Ų | 31.6 | 20% | 0.197 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 107.7 | -173.6 | -54.6 | 88 | 0 | 0 | 0 | 111.1 | F862 W863 L864 V865 H889 I893 C919 | F862-W891 PolarHBondContact O-N 3.49Å; W863-W891 AromaticContact CD1-CD1 3.27Å; W863-W891 AromaticContact CD1-CG 3.46Å; W863-W891 VanDerWaalsContact CD1-CG 3.46Å; W863-W891 AromaticContact CD1-NE1 3.91Å; W863-W891 AromaticContact CE2-CD1 3.98Å; W863-W891 HydrophobicContact CG-CB 4.45Å; W863-W891 AromaticContact CG-CD1 3.87Å; W863-W891 HydrophobicContact CG-CG 4.31Å; W863-W891 AromaticContact NE1-CD1 3.31Å; W863-W891 VanDerWaalsContact NE1-CD1 3.31Å; W863-W891 AromaticContact NE1-CG 3.77Å; W863-W891 AromaticContact NE1-NE1 3.45Å; L864-W891 CarbonylContact C-O 3.4Å; L864-W891 VanDerWaalsContact C-O 3.26Å; L864-W891 WeakPolarHBondContact CA-O 3.14Å; L864-W891 PolarHBondContact N-O 2.92Å; V865-W891 HydrophobicContact CG2-CB 3.76Å; V865-W891 PolarHBondContact N-O 3.13Å; H889-W891 HydrophobicContact CB-CZ2 4.38Å; W891-I893 HydrophobicContact CE3-CD1 3.83Å; W891-I893 HydrophobicContact CE3-CG1 4.4Å; W891-I893 HydrophobicContact CZ3-CD1 4.41Å; W891-C919 HydrophobicContact CD2-CB 4.12Å; W891-C919 HydrophobicContact CE3-CB 3.17Å; W891-C919 HydrophobicContact CH2-CB 4.42Å; W891-C919 HydrophobicContact CZ3-CB 3.35Å |
| 892 | F | 95.1 | Very high | 92 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -107.2 | 21.9 | 176.2 | -68.9 | -57.5 | 0 | 0 | 0 | 113.3 | L864 M869 W877 L890 N894 N895 F897 F905 I918 C919 V920 N923 | L864-F892 HydrophobicContact CB-CD1 4.16Å; L864-F892 HydrophobicContact CB-CE1 4.29Å; L864-F892 HydrophobicContact CD1-CD1 4.41Å; L864-F892 HydrophobicContact CD1-CE1 3.71Å; M869-F892 HydrophobicContact CE-CD1 3.56Å; M869-F892 HydrophobicContact CE-CE1 3.64Å; M869-F892 HydrophobicContact SD-CE1 4.14Å; W877-F892 HydrophobicContact CD2-CE1 4.2Å; W877-F892 AromaticContact CD2-CZ 3.53Å; W877-F892 HydrophobicContact CD2-CZ 3.53Å; W877-F892 AromaticContact CE2-CE1 3.87Å; W877-F892 AromaticContact CE2-CZ 3.71Å; W877-F892 AromaticContact CE3-CZ 3.81Å; W877-F892 HydrophobicContact CE3-CZ 3.81Å; W877-F892 AromaticContact CG-CZ 3.85Å; W877-F892 HydrophobicContact CG-CZ 3.85Å; W877-F892 HydrophobicContact CH2-CZ 4.45Å; W877-F892 HydrophobicContact CZ2-CE1 4.08Å; W877-F892 HydrophobicContact CZ2-CZ 4.18Å; W877-F892 HydrophobicContact CZ3-CZ 4.26Å; L890-F892 HydrophobicContact CD1-CE1 4.4Å; L890-F892 HydrophobicContact CD1-CE2 4.23Å; L890-F892 HydrophobicContact CD1-CZ 3.95Å; L890-F892 HydrophobicContact CD2-CD2 4.24Å; L890-F892 HydrophobicContact CD2-CE2 3.27Å; L890-F892 HydrophobicContact CD2-CZ 3.54Å; L890-F892 HydrophobicContact CG-CD2 4.03Å; L890-F892 HydrophobicContact CG-CE1 4.46Å; L890-F892 HydrophobicContact CG-CE2 3.46Å; L890-F892 VanDerWaalsContact CG-CE2 3.46Å; L890-F892 HydrophobicContact CG-CZ 3.7Å; F892-N894 PolarHBondContact O-N 2.75Å; F892-N895 VanDerWaalsContact C-ND2 3.34Å; F892-N895 PolarHBondContact O-N 3.01Å; F892-N895 PolarHBondContact O-ND2 2.87Å; F892-F897 HydrophobicContact CB-CD2 4.45Å; F892-F897 HydrophobicContact CB-CE2 4.25Å; F892-F897 AromaticContact CD1-CE2 3.93Å; F892-F897 HydrophobicContact CD1-CE2 3.93Å; F892-F897 HydrophobicContact CE1-CE2 4.38Å; F892-F897 HydrophobicContact CG-CE2 4.03Å; F892-F905 HydrophobicContact CD2-CE2 4.04Å; F892-F905 HydrophobicContact CD2-CZ 4.36Å; F892-F905 HydrophobicContact CE2-CE2 4.13Å; F892-F905 HydrophobicContact CE2-CZ 4.06Å; F892-I918 HydrophobicContact CD2-CG2 3.98Å; F892-I918 HydrophobicContact CE2-CG2 4.45Å; F892-C919 CarbonylContact C-O 3.57Å; F892-C919 WeakPolarHBondContact CA-O 3.28Å; F892-C919 PolarHBondContact N-O 3.21Å; F892-V920 HydrophobicContact CB-CG1 4.14Å; F892-N923 PolarHBondContact O-ND2 3.24Å | ||
| 893 | I | 93.4 | Very high | 92.1 | Very high | 33 Ų | 33 | 30.3 Ų | 30.3 | 17% | 0.169 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | 137.3 | -178.9 | -58.4 | 174.3 | 0 | 0 | 0 | 110.7 | V865 Q866 W891 N895 C919 K921 | V865-I893 CarbonylContact C-O 3.56Å; V865-I893 WeakPolarHBondContact CA-O 3.43Å; V865-I893 HydrophobicContact CB-CB 4.21Å; V865-I893 HydrophobicContact CG1-CB 3.74Å; V865-I893 HydrophobicContact CG1-CG2 4.02Å; V865-I893 HydrophobicContact CG2-CB 3.83Å; V865-I893 HydrophobicContact CG2-CD1 4.18Å; V865-I893 HydrophobicContact CG2-CG1 4.16Å; Q866-I893 PolarHBondContact N-O 2.98Å; W891-I893 HydrophobicContact CE3-CD1 3.83Å; W891-I893 HydrophobicContact CE3-CG1 4.4Å; W891-I893 HydrophobicContact CZ3-CD1 4.41Å; I893-N895 PolarHBondContact O-N 2.97Å; I893-N895 PolarHBondContact O-ND2 3Å; I893-C919 HydrophobicContact CD1-CB 4.39Å; I893-C919 HydrophobicContact CG1-CB 4.05Å; I893-C919 WeakPolarHBondContact CG1-SG 3.45Å; I893-C919 PolarHBondContact N-O 3.24Å; I893-K921 CarbonylContact C-O 3.55Å; I893-K921 WeakPolarHBondContact CA-O 3.39Å; I893-K921 HydrophobicContact CG1-CB 4.22Å; I893-K921 HydrophobicContact CG2-CB 4.22Å; I893-K921 HydrophobicContact CG2-CG 4.5Å; I893-K921 WeakPolarHBondContact CG2-O 3.24Å |
| 894 | N | 92.9 | Very high | 92.4 | Very high | 70 Ų | 70 | 31.2 Ų | 31.2 | 37% | 0.374 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 47.7 | 177.5 | -62.3 | -27.2 | 0 | 0 | 0 | 113.9 | Q866 F892 K921 G922 | Q866-N894 VanDerWaalsContact CA-O 3.28Å; Q866-N894 WeakPolarHBondContact CA-O 3.44Å; Q866-N894 HydrophobicContact CB-CB 4.49Å; Q866-N894 HydrophobicContact CG-CB 3.63Å; F892-N894 PolarHBondContact O-N 2.75Å; N894-K921 PolarHBondContact N-O 2.83Å; N894-G922 WeakPolarHBondContact CA-O 3.41Å; N894-G922 WeakPolarHBondContact OD1-CA 3.23Å |
| 895 | N | 94.9 | Very high | 93 | Very high | 7 Ų | 7 | 29.3 Ų | 29.3 | 4% | 0.037 | 16% | 0.16 | C | C | . | . | trans | -102.2 | -167.5 | 165.9 | -80.5 | -92.8 | 0 | 0 | 0 | 110 | L864 N867 M869 F892 I893 F897 N923 | L864-N895 PolarHBondContact O-ND2 3.39Å; N867-N895 WeakPolarHBondContact CA-OD1 3.42Å; N867-N895 WeakPolarHBondContact CB-OD1 3.47Å; N867-N895 PolarHBondContact N-OD1 3.16Å; N867-N895 PolarHBondContact O-OD1 3.26Å; N867-N895 VanDerWaalsContact O-OD1 3.14Å; M869-N895 WeakPolarHBondContact CE-OD1 3.5Å; M869-N895 PolarHBondContact N-OD1 2.94Å; F892-N895 VanDerWaalsContact C-ND2 3.34Å; F892-N895 PolarHBondContact O-N 3.01Å; F892-N895 PolarHBondContact O-ND2 2.87Å; I893-N895 PolarHBondContact O-N 2.97Å; I893-N895 PolarHBondContact O-ND2 3Å; N895-F897 HydrophobicContact CB-CD2 3.85Å; N895-F897 HydrophobicContact CB-CE2 4.06Å; N895-N923 VanDerWaalsContact CA-OD1 3.24Å; N895-N923 WeakPolarHBondContact CA-OD1 3.46Å; N895-N923 WeakPolarHBondContact CB-OD1 3.1Å; N895-N923 PolarHBondContact N-OD1 3.27Å; N895-N923 PolarHBondContact O-OD1 3.45Å; N895-N923 VanDerWaalsContact O-OD1 3.12Å | ||
| 896 | K | 94.4 | Very high | 93.3 | Very high | 73 Ų | 73 | 29.5 Ų | 29.5 | 32% | 0.317 | 16% | 0.164 | S | C | . | . | B | Isolated β-bridge | trans | -110 | 28.3 | -177.8 | -58.2 | 176.4 | -178.5 | 171.2 | 0 | 112.1 | E868 M869 M870 N923 | E868-K896 HydrophobicContact CB-CD 4.37Å; E868-K896 IonicContact OE2-NZ 2.64Å; E868-K896 PolarHBondContact OE2-NZ 3.33Å; M869-K896 CarbonylContact O-C 3.45Å; M869-K896 VanDerWaalsContact O-CA 3.3Å; M869-K896 WeakPolarHBondContact O-CA 3.31Å; M869-K896 WeakPolarHBondContact O-CB 3.4Å; M869-K896 PolarHBondContact O-N 3.38Å; M870-K896 HydrophobicContact CG-CB 3.83Å; M870-K896 HydrophobicContact CG-CD 4.26Å; K896-N923 PolarHBondContact N-OD1 3.44Å |
| 897 | F | 94.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -73 | 143.7 | 174.3 | -67.3 | -71.6 | 0 | 0 | 0 | 111 | M869 M870 D871 A874 F892 N895 I902 F905 N923 Q924 | M869-F897 HydrophobicContact CB-CE2 3.9Å; M869-F897 HydrophobicContact CB-CZ 3.7Å; M870-F897 WeakPolarHBondContact O-CE1 3.38Å; D871-F897 WeakPolarHBondContact OD1-CA 3.35Å; A874-F897 HydrophobicContact CB-CD1 4.45Å; A874-F897 HydrophobicContact CB-CE1 4.15Å; F892-F897 HydrophobicContact CB-CD2 4.45Å; F892-F897 HydrophobicContact CB-CE2 4.25Å; F892-F897 AromaticContact CD1-CE2 3.93Å; F892-F897 HydrophobicContact CD1-CE2 3.93Å; F892-F897 HydrophobicContact CE1-CE2 4.38Å; F892-F897 HydrophobicContact CG-CE2 4.03Å; N895-F897 HydrophobicContact CB-CD2 3.85Å; N895-F897 HydrophobicContact CB-CE2 4.06Å; F897-I902 HydrophobicContact CB-CD1 4.02Å; F897-F905 HydrophobicContact CD1-CE2 4.46Å; F897-F905 HydrophobicContact CD1-CZ 4.2Å; F897-F905 HydrophobicContact CD2-CE2 4.43Å; F897-F905 HydrophobicContact CE1-CE2 4.47Å; F897-F905 AromaticContact CE1-CZ 3.84Å; F897-F905 HydrophobicContact CE1-CZ 3.84Å; F897-F905 HydrophobicContact CE2-CE2 4.45Å; F897-F905 HydrophobicContact CE2-CZ 4.28Å; F897-F905 HydrophobicContact CG-CE2 4.45Å; F897-F905 HydrophobicContact CZ-CE2 4.47Å; F897-F905 AromaticContact CZ-CZ 3.89Å; F897-F905 HydrophobicContact CZ-CZ 3.89Å; F897-N923 HydrophobicContact CB-CB 4.34Å; F897-N923 WeakPolarHBondContact CB-OD1 3.28Å; F897-N923 WeakPolarHBondContact CD2-OD1 3.17Å; F897-N923 PolarHBondContact N-OD1 3.14Å; F897-N923 VanDerWaalsContact N-OD1 3.09Å; F897-N923 WeakPolarHBondContact O-CB 3.34Å; F897-Q924 WeakPolarHBondContact O-CA 3.41Å; F897-Q924 PolarHBondContact O-N 3.06Å | ||
| 898 | T | 94.5 | Very high | 93.6 | Very high | 45 Ų | 45 | 33.2 Ų | 33.2 | 28% | 0.276 | 18% | 0.177 | S | C | . | . | trans | -107.3 | -178.7 | 172.1 | 83.2 | 0 | 0 | 0 | 0 | 110.8 | D871 A900 G901 I902 Q924 | D871-T898 PolarHBondContact OD1-N 3.32Å; D871-T898 WeakPolarHBondContact OD2-CB 3.37Å; D871-T898 WeakPolarHBondContact OD2-CG2 3.49Å; D871-T898 PolarHBondContact OD2-OG1 3.22Å; T898-A900 PolarHBondContact O-N 3.41Å; T898-A900 VanDerWaalsContact O-N 3.15Å; T898-A900 PolarHBondContact OG1-N 3.21Å; T898-G901 PolarHBondContact O-N 3.41Å; T898-G901 VanDerWaalsContact O-N 3.12Å; T898-I902 WeakPolarHBondContact O-CG1 3.47Å; T898-I902 PolarHBondContact O-N 3Å; T898-I902 VanDerWaalsContact O-N 3.07Å; T898-Q924 HydrophobicContact CG2-CB 4.42Å | ||
| 899 | A | 92.6 | Very high | 93.5 | Very high | 14 Ų | 14 | 32.1 Ų | 32.1 | 12% | 0.116 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -53.6 | -31.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q903 L925 E929 F933 | A899-Q903 WeakPolarHBondContact O-CB 3.37Å; A899-Q903 PolarHBondContact O-N 3.39Å; A899-L925 HydrophobicContact CB-CD2 4.19Å; A899-E929 HydrophobicContact CB-CB 4.2Å; A899-E929 HydrophobicContact CB-CG 4.21Å; A899-F933 HydrophobicContact CB-CE2 4.31Å |
| 900 | A | 92.6 | Very high | 93.2 | Very high | 58 Ų | 58 | 34.3 Ų | 34.3 | 48% | 0.479 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -68.2 | -43.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T898 Q903 H904 | T898-A900 PolarHBondContact O-N 3.41Å; T898-A900 VanDerWaalsContact O-N 3.15Å; T898-A900 PolarHBondContact OG1-N 3.21Å; A900-Q903 WeakPolarHBondContact O-CB 3.28Å; A900-Q903 PolarHBondContact O-N 3.25Å; A900-H904 PolarHBondContact O-CD2 3.18Å |
| 901 | G | 93.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.9 | -41.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | D871 T898 Q903 H904 | D871-G901 VanDerWaalsContact OD1-CA 3.26Å; D871-G901 WeakPolarHBondContact OD1-CA 3.42Å; D871-G901 PolarHBondContact OD1-N 3.41Å; T898-G901 PolarHBondContact O-N 3.41Å; T898-G901 VanDerWaalsContact O-N 3.12Å; G901-Q903 VanDerWaalsContact C-N 3.31Å; G901-Q903 PolarHBondContact O-N 3.45Å; G901-H904 WeakPolarHBondContact O-CB 3.43Å; G901-H904 PolarHBondContact O-N 3.27Å |
| 902 | I | 93.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.3 | -32.3 | 178.3 | -58.7 | -48.2 | 0 | 0 | 0 | 112.1 | F897 T898 H904 F905 A906 V920 L925 F933 L939 F941 | F897-I902 HydrophobicContact CB-CD1 4.02Å; T898-I902 WeakPolarHBondContact O-CG1 3.47Å; T898-I902 PolarHBondContact O-N 3Å; T898-I902 VanDerWaalsContact O-N 3.07Å; I902-H904 VanDerWaalsContact C-N 3.28Å; I902-H904 PolarHBondContact O-N 3.46Å; I902-F905 HydrophobicContact CD1-CD2 3.66Å; I902-F905 HydrophobicContact CD1-CE2 3.75Å; I902-F905 WeakPolarHBondContact O-CB 3.49Å; I902-F905 PolarHBondContact O-N 2.93Å; I902-A906 PolarHBondContact O-N 3.09Å; I902-V920 HydrophobicContact CD1-CB 3.89Å; I902-V920 HydrophobicContact CD1-CG1 3.58Å; I902-V920 HydrophobicContact CD1-CG2 4.19Å; I902-L925 HydrophobicContact CB-CD2 4.17Å; I902-L925 HydrophobicContact CG1-CD1 3.81Å; I902-L925 HydrophobicContact CG1-CD2 3.75Å; I902-L925 HydrophobicContact CG1-CG 4.39Å; I902-F933 HydrophobicContact CB-CE2 4.33Å; I902-F933 HydrophobicContact CB-CZ 4.42Å; I902-F933 HydrophobicContact CG2-CD1 4.21Å; I902-F933 HydrophobicContact CG2-CD2 3.95Å; I902-F933 HydrophobicContact CG2-CE1 4.34Å; I902-F933 HydrophobicContact CG2-CE2 4.09Å; I902-F933 HydrophobicContact CG2-CG 4.01Å; I902-F933 HydrophobicContact CG2-CZ 4.28Å; I902-L939 HydrophobicContact CG2-CD1 4.45Å; I902-F941 HydrophobicContact CG2-CE1 4.38Å; I902-F941 HydrophobicContact CG2-CZ 4.13Å |
| 903 | Q | 93.6 | Very high | 91.8 | Very high | 83 Ų | 83 | 41.9 Ų | 41.9 | 39% | 0.388 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -56.3 | -42.4 | 173 | -179.2 | 66.6 | 31.1 | 0 | 0 | 111.7 | A899 A900 G901 F905 A906 E907 F933 | A899-Q903 WeakPolarHBondContact O-CB 3.37Å; A899-Q903 PolarHBondContact O-N 3.39Å; A900-Q903 WeakPolarHBondContact O-CB 3.28Å; A900-Q903 PolarHBondContact O-N 3.25Å; G901-Q903 VanDerWaalsContact C-N 3.31Å; G901-Q903 PolarHBondContact O-N 3.45Å; Q903-F905 VanDerWaalsContact C-N 3.3Å; Q903-F905 PolarHBondContact O-N 2.78Å; Q903-A906 PolarHBondContact O-N 2.98Å; Q903-E907 WeakPolarHBondContact CG-OE1 3.47Å; Q903-E907 PolarHBondContact NE2-OE1 2.95Å; Q903-E907 WeakPolarHBondContact O-CG 3.32Å; Q903-E907 PolarHBondContact O-N 3.48Å; Q903-F933 HydrophobicContact CB-CE1 4.26Å; Q903-F933 HydrophobicContact CB-CZ 4.25Å; Q903-F933 VanDerWaalsContact OE1-CE1 3.25Å |
| 904 | H | 94.3 | Very high | 91.4 | Very high | 70 Ų | 70 | 45.5 Ų | 45.5 | 32% | 0.324 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.7 | -36.9 | 175.3 | -72.1 | -63 | 0 | 0 | 0 | 112.8 | A874 A878 A900 G901 I902 A908 | A874-H904 HydrophobicContact CB-CB 4.16Å; A878-H904 HydrophobicContact CB-CB 4.11Å; A900-H904 PolarHBondContact O-CD2 3.18Å; G901-H904 WeakPolarHBondContact O-CB 3.43Å; G901-H904 PolarHBondContact O-N 3.27Å; I902-H904 VanDerWaalsContact C-N 3.28Å; I902-H904 PolarHBondContact O-N 3.46Å; H904-A908 WeakPolarHBondContact O-CB 3.49Å; H904-A908 PolarHBondContact O-N 2.85Å |
| 905 | F | 93.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.7 | -42.7 | 175.9 | -56.9 | -20.8 | 0 | 0 | 0 | 111.6 | A874 W877 I881 F892 F897 I902 Q903 E907 A908 L909 I918 V920 L939 | A874-F905 HydrophobicContact CB-CE1 3.9Å; A874-F905 HydrophobicContact CB-CZ 4.21Å; W877-F905 HydrophobicContact CB-CD1 4.45Å; W877-F905 HydrophobicContact CB-CE1 3.62Å; W877-F905 HydrophobicContact CB-CZ 4.27Å; W877-F905 HydrophobicContact CG-CE1 4.48Å; I881-F905 HydrophobicContact CD1-CB 4.39Å; I881-F905 HydrophobicContact CD1-CD1 4.06Å; I881-F905 HydrophobicContact CD1-CG 4.41Å; F892-F905 HydrophobicContact CD2-CE2 4.04Å; F892-F905 HydrophobicContact CD2-CZ 4.36Å; F892-F905 HydrophobicContact CE2-CE2 4.13Å; F892-F905 HydrophobicContact CE2-CZ 4.06Å; F897-F905 HydrophobicContact CD1-CE2 4.46Å; F897-F905 HydrophobicContact CD1-CZ 4.2Å; F897-F905 HydrophobicContact CD2-CE2 4.43Å; F897-F905 HydrophobicContact CE1-CE2 4.47Å; F897-F905 AromaticContact CE1-CZ 3.84Å; F897-F905 HydrophobicContact CE1-CZ 3.84Å; F897-F905 HydrophobicContact CE2-CE2 4.45Å; F897-F905 HydrophobicContact CE2-CZ 4.28Å; F897-F905 HydrophobicContact CG-CE2 4.45Å; F897-F905 HydrophobicContact CZ-CE2 4.47Å; F897-F905 AromaticContact CZ-CZ 3.89Å; F897-F905 HydrophobicContact CZ-CZ 3.89Å; I902-F905 HydrophobicContact CD1-CD2 3.66Å; I902-F905 HydrophobicContact CD1-CE2 3.75Å; I902-F905 WeakPolarHBondContact O-CB 3.49Å; I902-F905 PolarHBondContact O-N 2.93Å; Q903-F905 VanDerWaalsContact C-N 3.3Å; Q903-F905 PolarHBondContact O-N 2.78Å; F905-E907 PolarHBondContact O-N 3.26Å; F905-A908 PolarHBondContact O-N 3.13Å; F905-L909 WeakPolarHBondContact O-CB 3.38Å; F905-L909 VanDerWaalsContact O-CG 3.25Å; F905-L909 WeakPolarHBondContact O-CG 3.45Å; F905-L909 PolarHBondContact O-N 3.35Å; F905-I918 HydrophobicContact CB-CD1 4.49Å; F905-V920 HydrophobicContact CD2-CG1 4.39Å; F905-V920 HydrophobicContact CE2-CG1 4.44Å; F905-L939 HydrophobicContact CB-CD2 4.39Å |
| 906 | A | 91.3 | Very high | 91.2 | Very high | 24 Ų | 24 | 48.4 Ų | 48.4 | 20% | 0.198 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I902 Q903 L909 A910 F933 L939 | I902-A906 PolarHBondContact O-N 3.09Å; Q903-A906 PolarHBondContact O-N 2.98Å; A906-L909 PolarHBondContact O-N 3.15Å; A906-A910 PolarHBondContact O-N 3.01Å; A906-F933 HydrophobicContact CB-CD1 3.98Å; A906-F933 HydrophobicContact CB-CE1 4.23Å; A906-L939 HydrophobicContact CB-CD1 4Å |
| 907 | E | 91.6 | Very high | 91.1 | Very high | 104 Ų | 104 | 48.3 Ų | 48.3 | 49% | 0.486 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 175.9 | -72.8 | 171.2 | -171.5 | 0 | 0 | 112.1 | Q903 F905 A910 | Q903-E907 WeakPolarHBondContact CG-OE1 3.47Å; Q903-E907 PolarHBondContact NE2-OE1 2.95Å; Q903-E907 WeakPolarHBondContact O-CG 3.32Å; Q903-E907 PolarHBondContact O-N 3.48Å; F905-E907 PolarHBondContact O-N 3.26Å; E907-A910 WeakPolarHBondContact O-CB 3.39Å; E907-A910 PolarHBondContact O-N 3Å |
| 908 | A | 92.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A878 I881 Q882 H904 F905 A910 T911 N912 | A878-A908 HydrophobicContact CB-CB 3.88Å; A878-A908 WeakPolarHBondContact O-CB 3.46Å; I881-A908 HydrophobicContact CB-CB 3.84Å; I881-A908 HydrophobicContact CD1-CB 4.43Å; I881-A908 HydrophobicContact CG2-CB 3.73Å; Q882-A908 HydrophobicContact CG-CB 3.89Å; H904-A908 WeakPolarHBondContact O-CB 3.49Å; H904-A908 PolarHBondContact O-N 2.85Å; F905-A908 PolarHBondContact O-N 3.13Å; A908-A910 PolarHBondContact O-N 3.14Å; A908-T911 PolarHBondContact O-N 3.37Å; A908-T911 PolarHBondContact O-OG1 2.69Å; A908-N912 PolarHBondContact O-N 3.24Å |
| 909 | L | 90.8 | Very high | 91 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.5 | -25.5 | 177.9 | -81.8 | 174.3 | 0 | 0 | 0 | 113.1 | I881 F905 A906 T911 N912 L915 I918 R938 L939 | I881-L909 HydrophobicContact CG2-CD2 4.23Å; I881-L909 HydrophobicContact CG2-CG 4.43Å; F905-L909 WeakPolarHBondContact O-CB 3.38Å; F905-L909 VanDerWaalsContact O-CG 3.25Å; F905-L909 WeakPolarHBondContact O-CG 3.45Å; F905-L909 PolarHBondContact O-N 3.35Å; A906-L909 PolarHBondContact O-N 3.15Å; L909-T911 PolarHBondContact O-N 3Å; L909-N912 PolarHBondContact O-N 2.95Å; L909-N912 VanDerWaalsContact O-O 3.13Å; L909-L915 HydrophobicContact CD2-CD2 3.96Å; L909-I918 HydrophobicContact CD1-CD1 4Å; L909-I918 HydrophobicContact CD2-CD1 4.02Å; L909-I918 HydrophobicContact CG-CD1 4.09Å; L909-R938 PolarHBondContact O-NH1 2.78Å; L909-R938 PolarHBondContact O-NH2 3.37Å; L909-L939 HydrophobicContact CD1-CD1 4Å; L909-L939 HydrophobicContact CD1-CD2 3.87Å; L909-L939 HydrophobicContact CD1-CG 3.6Å |
| 910 | A | 87.3 | Confident | 91 | Very high | 88 Ų | 88 | 45.7 Ų | 45.7 | 73% | 0.727 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -26.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A906 E907 A908 | A906-A910 PolarHBondContact O-N 3.01Å; E907-A910 WeakPolarHBondContact O-CB 3.39Å; E907-A910 PolarHBondContact O-N 3Å; A908-A910 PolarHBondContact O-N 3.14Å |
| 911 | T | 87 | Confident | 90.9 | Very high | 96 Ų | 96 | 47.2 Ų | 47.2 | 59% | 0.589 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | -23 | -179.9 | 65.9 | 0 | 0 | 0 | 0 | 113.4 | Q882 A908 L909 | Q882-T911 WeakPolarHBondContact CG-OG1 3.48Å; A908-T911 PolarHBondContact O-N 3.37Å; A908-T911 PolarHBondContact O-OG1 2.69Å; L909-T911 PolarHBondContact O-N 3Å |
| 912 | N | 88.3 | Confident | 90.7 | Very high | 11 Ų | 11 | 49.4 Ų | 49.4 | 6% | 0.059 | 28% | 0.276 | C | S | . | . | trans | -87.1 | 132.6 | 179.9 | -172.7 | -73 | 0 | 0 | 0 | 111.8 | I881 D884 A908 L909 K914 L915 R938 | I881-N912 HydrophobicContact CG2-CB 3.79Å; I881-N912 WeakPolarHBondContact O-CB 3.44Å; I881-N912 PolarHBondContact O-ND2 3.14Å; D884-N912 WeakPolarHBondContact CA-ND2 3.4Å; D884-N912 PolarHBondContact OD1-ND2 3.22Å; A908-N912 PolarHBondContact O-N 3.24Å; L909-N912 PolarHBondContact O-N 2.95Å; L909-N912 VanDerWaalsContact O-O 3.13Å; N912-K914 PolarHBondContact OD1-N 3.33Å; N912-L915 VanDerWaalsContact OD1-CB 3.22Å; N912-L915 WeakPolarHBondContact OD1-CB 3.21Å; N912-L915 PolarHBondContact OD1-N 3.21Å; N912-R938 PolarHBondContact O-NH1 3.36Å | ||
| 913 | S | 81.8 | Confident | 90.6 | Very high | 103 Ų | 103 | 50.1 Ų | 50.1 | 72% | 0.72 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -111.3 | -11.7 | 179.3 | 61.8 | 0 | 0 | 0 | 0 | 115.4 | ||
| 914 | K | 85 | Confident | 90.5 | Very high | 110 Ų | 110 | 51.9 Ų | 51.9 | 48% | 0.478 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -101.8 | -27.7 | -174.8 | -57.7 | -176 | -168.9 | 133.5 | 0 | 114.4 | D884 N912 K916 | D884-K914 PolarHBondContact O-NZ 3.42Å; D884-K914 VanDerWaalsContact OD1-CB 3.22Å; D884-K914 WeakPolarHBondContact OD1-CB 3.39Å; D884-K914 VanDerWaalsContact OD1-CD 3.28Å; D884-K914 WeakPolarHBondContact OD1-CD 3.46Å; D884-K914 WeakPolarHBondContact OD1-CG 3.44Å; D884-K914 IonicContact OD1-NZ 3.58Å; D884-K914 WeakPolarHBondContact OD2-CD 3.26Å; D884-K914 WeakPolarHBondContact OD2-CE 3.43Å; D884-K914 IonicContact OD2-NZ 4Å; D884-K914 PolarHBondContact OD2-NZ 3.26Å; N912-K914 PolarHBondContact OD1-N 3.33Å; K914-K916 PolarHBondContact O-N 2.99Å |
| 915 | L | 90.3 | Very high | 90.4 | Very high | 7 Ų | 7 | 49.4 Ų | 49.4 | 4% | 0.037 | 28% | 0.277 | C | S | . | . | trans | -68.7 | 121 | 179.3 | -168.5 | 65.7 | 0 | 0 | 0 | 108.6 | I881 L887 L909 N912 I918 R938 | I881-L915 HydrophobicContact CG1-CD2 3.96Å; I881-L915 HydrophobicContact CG2-CD2 4.06Å; L887-L915 HydrophobicContact CB-CD1 4.24Å; L887-L915 HydrophobicContact CD2-CD1 4.26Å; L887-L915 HydrophobicContact CG-CD1 4.06Å; L887-L915 VanDerWaalsContact O-CD1 3.26Å; L887-L915 WeakPolarHBondContact O-CD1 3.41Å; L909-L915 HydrophobicContact CD2-CD2 3.96Å; N912-L915 VanDerWaalsContact OD1-CB 3.22Å; N912-L915 WeakPolarHBondContact OD1-CB 3.21Å; N912-L915 PolarHBondContact OD1-N 3.21Å; L915-I918 HydrophobicContact CD2-CD1 3.54Å; L915-I918 HydrophobicContact CD2-CG1 3.53Å; L915-I918 HydrophobicContact CG-CG1 4.19Å; L915-R938 WeakPolarHBondContact O-CD 3.49Å | ||
| 916 | K | 91.6 | Very high | 90.1 | Very high | 130 Ų | 130 | 52 Ų | 52 | 57% | 0.565 | 30% | 0.295 | S | S | * | . | trans | -87.1 | -45.8 | -174.1 | -63.2 | -174.7 | 176.8 | -176.6 | 0 | 111.1 | S888 K914 R938 | S888-K916 WeakPolarHBondContact O-CB 3.42Å; S888-K916 PolarHBondContact O-N 2.93Å; K914-K916 PolarHBondContact O-N 2.99Å; K916-R938 WeakPolarHBondContact O-CB 3.23Å; K916-R938 VanDerWaalsContact O-CG 3.27Å; K916-R938 WeakPolarHBondContact O-CG 3.49Å | ||
| 917 | E | 93.9 | Very high | 89.8 | Confident | 71 Ų | 71 | 58.1 Ų | 58.1 | 33% | 0.332 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 134.3 | -171.6 | -63 | 176 | -174.8 | 0 | 0 | 111.4 | S888 H889 L890 R938 L940 | S888-E917 PolarHBondContact O-N 3.16Å; H889-E917 WeakPolarHBondContact CA-O 3.44Å; H889-E917 IonicContact CD2-OE2 2.66Å; L890-E917 PolarHBondContact N-O 3.5Å; E917-R938 WeakPolarHBondContact CA-O 3.47Å; E917-L940 HydrophobicContact CB-CD1 4.18Å; E917-L940 HydrophobicContact CG-CD1 4.12Å |
| 918 | I | 94.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 117.5 | 163.5 | -54.3 | -178.5 | 0 | 0 | 0 | 107.2 | I881 L890 F892 F905 L909 L915 V920 R938 L939 L940 | I881-I918 HydrophobicContact CD1-CD1 3.58Å; I881-I918 HydrophobicContact CG1-CD1 4.29Å; L890-I918 HydrophobicContact CB-CG1 4.45Å; L890-I918 VanDerWaalsContact O-CA 3.29Å; L890-I918 WeakPolarHBondContact O-CA 3.48Å; F892-I918 HydrophobicContact CD2-CG2 3.98Å; F892-I918 HydrophobicContact CE2-CG2 4.45Å; F905-I918 HydrophobicContact CB-CD1 4.49Å; L909-I918 HydrophobicContact CD1-CD1 4Å; L909-I918 HydrophobicContact CD2-CD1 4.02Å; L909-I918 HydrophobicContact CG-CD1 4.09Å; L915-I918 HydrophobicContact CD2-CD1 3.54Å; L915-I918 HydrophobicContact CD2-CG1 3.53Å; L915-I918 HydrophobicContact CG-CG1 4.19Å; I918-V920 HydrophobicContact CG2-CG1 4.02Å; I918-R938 PolarHBondContact N-O 3.38Å; I918-L939 HydrophobicContact CB-CD2 4.02Å; I918-L939 HydrophobicContact CD1-CD2 4.5Å; I918-L939 HydrophobicContact CG2-CD2 4.28Å; I918-L939 WeakPolarHBondContact O-CA 3.12Å; I918-L940 PolarHBondContact O-N 3.48Å |
| 919 | C | 93.3 | Very high | 89.4 | Confident | 4 Ų | 4 | 63.1 Ų | 63.1 | 3% | 0.027 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 122.5 | 177.9 | -170.5 | 0 | 0 | 0 | 0 | 111.1 | L890 W891 F892 I893 L940 | L890-C919 PolarHBondContact O-N 2.91Å; W891-C919 HydrophobicContact CD2-CB 4.12Å; W891-C919 HydrophobicContact CE3-CB 3.17Å; W891-C919 HydrophobicContact CH2-CB 4.42Å; W891-C919 HydrophobicContact CZ3-CB 3.35Å; F892-C919 CarbonylContact C-O 3.57Å; F892-C919 WeakPolarHBondContact CA-O 3.28Å; F892-C919 PolarHBondContact N-O 3.21Å; I893-C919 HydrophobicContact CD1-CB 4.39Å; I893-C919 HydrophobicContact CG1-CB 4.05Å; I893-C919 WeakPolarHBondContact CG1-SG 3.45Å; I893-C919 PolarHBondContact N-O 3.24Å; C919-L940 WeakPolarHBondContact CA-O 3.46Å; C919-L940 HydrophobicContact CB-CB 4.21Å |
| 920 | V | 91.6 | Very high | 89.2 | Confident | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.006 | 35% | 0.354 | C | S | . | . | trans | -123.1 | 18.7 | -176.3 | -68.5 | 0 | 0 | 0 | 0 | 111.7 | F892 I902 F905 I918 G922 N923 L940 F941 | F892-V920 HydrophobicContact CB-CG1 4.14Å; I902-V920 HydrophobicContact CD1-CB 3.89Å; I902-V920 HydrophobicContact CD1-CG1 3.58Å; I902-V920 HydrophobicContact CD1-CG2 4.19Å; F905-V920 HydrophobicContact CD2-CG1 4.39Å; F905-V920 HydrophobicContact CE2-CG1 4.44Å; I918-V920 HydrophobicContact CG2-CG1 4.02Å; V920-G922 PolarHBondContact O-N 3.2Å; V920-N923 VanDerWaalsContact C-ND2 3.33Å; V920-N923 WeakPolarHBondContact O-CB 3.5Å; V920-N923 PolarHBondContact O-N 3.28Å; V920-N923 PolarHBondContact O-ND2 3.47Å; V920-L940 PolarHBondContact N-O 3.44Å; V920-F941 HydrophobicContact CG2-CD1 3.62Å; V920-F941 HydrophobicContact CG2-CE1 3.39Å; V920-F941 HydrophobicContact CG2-CG 4.33Å; V920-F941 HydrophobicContact CG2-CZ 3.93Å | ||
| 921 | K | 91.1 | Very high | 89.2 | Confident | 90 Ų | 90 | 67.5 Ų | 67.5 | 39% | 0.391 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49 | 135.3 | 174.9 | 178 | -178.9 | -171.4 | 163.2 | 0 | 112 | I893 N894 N923 L940 F941 H942 | I893-K921 CarbonylContact C-O 3.55Å; I893-K921 WeakPolarHBondContact CA-O 3.39Å; I893-K921 HydrophobicContact CG1-CB 4.22Å; I893-K921 HydrophobicContact CG2-CB 4.22Å; I893-K921 HydrophobicContact CG2-CG 4.5Å; I893-K921 WeakPolarHBondContact CG2-O 3.24Å; N894-K921 PolarHBondContact N-O 2.83Å; K921-N923 VanDerWaalsContact C-N 3.29Å; K921-N923 PolarHBondContact O-N 3.23Å; K921-L940 PolarHBondContact N-O 2.88Å; K921-F941 WeakPolarHBondContact CB-O 3.29Å; K921-F941 WeakPolarHBondContact CG-O 3.5Å; K921-H942 WeakPolarHBondContact CD-OXT 3.47Å; K921-H942 WeakPolarHBondContact CE-OXT 3.36Å; K921-H942 PolarHBondContact NZ-OXT 2.81Å |
| 922 | G | 88.3 | Confident | 89.2 | Confident | 45 Ų | 45 | 71.3 Ų | 71.3 | 46% | 0.464 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72 | 17 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | N894 V920 | N894-G922 WeakPolarHBondContact CA-O 3.41Å; N894-G922 WeakPolarHBondContact OD1-CA 3.23Å; V920-G922 PolarHBondContact O-N 3.2Å |
| 923 | N | 92.6 | Very high | 89.2 | Confident | 15 Ų | 15 | 71.4 Ų | 71.4 | 8% | 0.08 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -77.7 | 177.1 | 163.5 | -78.8 | -87.1 | 0 | 0 | 0 | 111.1 | F892 N895 K896 F897 V920 K921 L925 | F892-N923 PolarHBondContact O-ND2 3.24Å; N895-N923 VanDerWaalsContact CA-OD1 3.24Å; N895-N923 WeakPolarHBondContact CA-OD1 3.46Å; N895-N923 WeakPolarHBondContact CB-OD1 3.1Å; N895-N923 PolarHBondContact N-OD1 3.27Å; N895-N923 PolarHBondContact O-OD1 3.45Å; N895-N923 VanDerWaalsContact O-OD1 3.12Å; K896-N923 PolarHBondContact N-OD1 3.44Å; F897-N923 HydrophobicContact CB-CB 4.34Å; F897-N923 WeakPolarHBondContact CB-OD1 3.28Å; F897-N923 WeakPolarHBondContact CD2-OD1 3.17Å; F897-N923 PolarHBondContact N-OD1 3.14Å; F897-N923 VanDerWaalsContact N-OD1 3.09Å; F897-N923 WeakPolarHBondContact O-CB 3.34Å; V920-N923 VanDerWaalsContact C-ND2 3.33Å; V920-N923 WeakPolarHBondContact O-CB 3.5Å; V920-N923 PolarHBondContact O-N 3.28Å; V920-N923 PolarHBondContact O-ND2 3.47Å; K921-N923 VanDerWaalsContact C-N 3.29Å; K921-N923 PolarHBondContact O-N 3.23Å; N923-L925 HydrophobicContact CB-CD1 3.6Å; N923-L925 PolarHBondContact O-N 3.41Å |
| 924 | Q | 91.6 | Very high | 89.1 | Confident | 120 Ų | 120 | 72.4 Ų | 72.4 | 56% | 0.561 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -82.7 | 61.9 | -174.5 | -61.8 | -179.2 | -10.5 | 0 | 0 | 111.9 | F897 T898 | F897-Q924 WeakPolarHBondContact O-CA 3.41Å; F897-Q924 PolarHBondContact O-N 3.06Å; T898-Q924 HydrophobicContact CG2-CB 4.42Å |
| 925 | L | 91.4 | Very high | 88.9 | Confident | 18 Ų | 18 | 72.7 Ų | 72.7 | 9% | 0.094 | 36% | 0.359 | C | S | . | . | trans | -125.9 | 132.2 | 176.1 | -64.4 | 93 | 0 | 0 | 0 | 110.6 | A899 I902 N923 E929 Q930 F933 F941 | A899-L925 HydrophobicContact CB-CD2 4.19Å; I902-L925 HydrophobicContact CB-CD2 4.17Å; I902-L925 HydrophobicContact CG1-CD1 3.81Å; I902-L925 HydrophobicContact CG1-CD2 3.75Å; I902-L925 HydrophobicContact CG1-CG 4.39Å; N923-L925 HydrophobicContact CB-CD1 3.6Å; N923-L925 PolarHBondContact O-N 3.41Å; L925-E929 HydrophobicContact CB-CB 4.47Å; L925-Q930 HydrophobicContact CB-CG 4.02Å; L925-Q930 PolarHBondContact O-NE2 3.41Å; L925-F933 HydrophobicContact CD2-CD2 4.45Å; L925-F933 HydrophobicContact CD2-CE2 4.23Å; L925-F941 HydrophobicContact CD2-CE1 4.29Å | ||
| 926 | S | 88.1 | Confident | 88.6 | Confident | 54 Ų | 54 | 74 Ų | 74 | 38% | 0.378 | 37% | 0.366 | S | S | . | . | trans | -69 | 158.4 | 169.7 | 64.1 | 0 | 0 | 0 | 0 | 111.9 | E928 E929 Q930 | S926-E928 PolarHBondContact O-N 3.49Å; S926-E929 WeakPolarHBondContact CB-OE2 3.2Å; S926-E929 PolarHBondContact N-OE2 2.98Å; S926-E929 PolarHBondContact O-N 2.96Å; S926-E929 VanDerWaalsContact O-N 3.08Å; S926-E929 VanDerWaalsContact OG-CD 3.25Å; S926-E929 VanDerWaalsContact OG-CG 3.24Å; S926-E929 WeakPolarHBondContact OG-CG 3.47Å; S926-E929 PolarHBondContact OG-N 3.48Å; S926-E929 PolarHBondContact OG-OE2 3.22Å; S926-Q930 WeakPolarHBondContact O-CG 3.23Å; S926-Q930 PolarHBondContact O-N 3.01Å | ||
| 927 | E | 84.9 | Confident | 88.4 | Confident | 153 Ų | 153 | 77 Ų | 77 | 72% | 0.715 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -57.9 | -31.8 | 176 | -66.5 | -172.8 | 173.7 | 0 | 0 | 112.5 | K931 | E927-K931 WeakPolarHBondContact O-CG 3.31Å; E927-K931 PolarHBondContact O-N 3.01Å |
| 928 | E | 86.3 | Confident | 88.3 | Confident | 153 Ų | 153 | 76.5 Ų | 76.5 | 72% | 0.715 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -69.3 | -37.1 | 176.4 | -64.5 | -173.7 | 175.8 | 0 | 0 | 112.7 | S926 | S926-E928 PolarHBondContact O-N 3.49Å |
| 929 | E | 88.4 | Confident | 88.1 | Confident | 57 Ų | 57 | 76.9 Ų | 76.9 | 27% | 0.266 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -72.6 | -35.5 | 176.5 | -71.7 | 164.9 | 137.1 | 0 | 0 | 111.5 | A899 L925 S926 K931 R932 F933 | A899-E929 HydrophobicContact CB-CB 4.2Å; A899-E929 HydrophobicContact CB-CG 4.21Å; L925-E929 HydrophobicContact CB-CB 4.47Å; S926-E929 WeakPolarHBondContact CB-OE2 3.2Å; S926-E929 PolarHBondContact N-OE2 2.98Å; S926-E929 PolarHBondContact O-N 2.96Å; S926-E929 VanDerWaalsContact O-N 3.08Å; S926-E929 VanDerWaalsContact OG-CD 3.25Å; S926-E929 VanDerWaalsContact OG-CG 3.24Å; S926-E929 WeakPolarHBondContact OG-CG 3.47Å; S926-E929 PolarHBondContact OG-N 3.48Å; S926-E929 PolarHBondContact OG-OE2 3.22Å; E929-K931 VanDerWaalsContact C-N 3.32Å; E929-K931 PolarHBondContact O-N 3.49Å; E929-R932 VanDerWaalsContact O-CB 3.31Å; E929-R932 WeakPolarHBondContact O-CB 3.42Å; E929-R932 PolarHBondContact O-N 3.16Å; E929-R932 VanDerWaalsContact O-N 3.16Å; E929-F933 VanDerWaalsContact O-CD2 3.26Å; E929-F933 WeakPolarHBondContact O-CD2 3.36Å |
| 930 | Q | 87.4 | Confident | 88 | Confident | 47 Ų | 47 | 78.2 Ų | 78.2 | 22% | 0.22 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61 | -41.2 | 175.7 | -67.4 | 175.4 | 28.3 | 0 | 0 | 111.7 | L925 S926 R932 F933 E934 F941 | L925-Q930 HydrophobicContact CB-CG 4.02Å; L925-Q930 PolarHBondContact O-NE2 3.41Å; S926-Q930 WeakPolarHBondContact O-CG 3.23Å; S926-Q930 PolarHBondContact O-N 3.01Å; Q930-R932 PolarHBondContact O-N 3.38Å; Q930-R932 VanDerWaalsContact O-N 3.07Å; Q930-F933 PolarHBondContact O-N 3.45Å; Q930-E934 PolarHBondContact O-N 3.23Å; Q930-F941 HydrophobicContact CB-CD1 4.18Å; Q930-F941 HydrophobicContact CB-CG 4.28Å; Q930-F941 HydrophobicContact CG-CB 4.45Å; Q930-F941 HydrophobicContact CG-CD1 3.65Å; Q930-F941 HydrophobicContact CG-CE1 4.12Å; Q930-F941 HydrophobicContact CG-CG 4.12Å |
| 931 | K | 85.8 | Confident | 87.7 | Confident | 132 Ų | 132 | 79.3 Ų | 79.3 | 57% | 0.574 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -26.5 | 176 | -74.6 | 174.2 | -176.1 | 172.2 | 0 | 114 | E927 E929 F933 | E927-K931 WeakPolarHBondContact O-CG 3.31Å; E927-K931 PolarHBondContact O-N 3.01Å; E929-K931 VanDerWaalsContact C-N 3.32Å; E929-K931 PolarHBondContact O-N 3.49Å; K931-F933 PolarHBondContact O-N 2.83Å |
| 932 | R | 87.6 | Confident | 86.9 | Confident | 177 Ų | 177 | 83.4 Ų | 83.4 | 67% | 0.668 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -26.2 | 176.8 | -58.6 | -179.1 | -178.8 | 178.2 | 2.2 | 112.4 | E929 Q930 | E929-R932 VanDerWaalsContact O-CB 3.31Å; E929-R932 WeakPolarHBondContact O-CB 3.42Å; E929-R932 PolarHBondContact O-N 3.16Å; E929-R932 VanDerWaalsContact O-N 3.16Å; Q930-R932 PolarHBondContact O-N 3.38Å; Q930-R932 VanDerWaalsContact O-N 3.07Å |
| 933 | F | 88 | Confident | 86.8 | Confident | 13 Ų | 13 | 85.3 Ų | 85.3 | 6% | 0.057 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | -7.1 | -174 | -57.3 | -69.2 | 0 | 0 | 0 | 113.7 | A899 I902 Q903 A906 L925 E929 Q930 K931 S935 D936 L939 F941 | A899-F933 HydrophobicContact CB-CE2 4.31Å; I902-F933 HydrophobicContact CB-CE2 4.33Å; I902-F933 HydrophobicContact CB-CZ 4.42Å; I902-F933 HydrophobicContact CG2-CD1 4.21Å; I902-F933 HydrophobicContact CG2-CD2 3.95Å; I902-F933 HydrophobicContact CG2-CE1 4.34Å; I902-F933 HydrophobicContact CG2-CE2 4.09Å; I902-F933 HydrophobicContact CG2-CG 4.01Å; I902-F933 HydrophobicContact CG2-CZ 4.28Å; Q903-F933 HydrophobicContact CB-CE1 4.26Å; Q903-F933 HydrophobicContact CB-CZ 4.25Å; Q903-F933 VanDerWaalsContact OE1-CE1 3.25Å; A906-F933 HydrophobicContact CB-CD1 3.98Å; A906-F933 HydrophobicContact CB-CE1 4.23Å; L925-F933 HydrophobicContact CD2-CD2 4.45Å; L925-F933 HydrophobicContact CD2-CE2 4.23Å; E929-F933 VanDerWaalsContact O-CD2 3.26Å; E929-F933 WeakPolarHBondContact O-CD2 3.36Å; Q930-F933 PolarHBondContact O-N 3.45Å; K931-F933 PolarHBondContact O-N 2.83Å; F933-S935 PolarHBondContact O-N 3.11Å; F933-D936 PolarHBondContact O-N 2.71Å; F933-D936 VanDerWaalsContact O-N 3.13Å; F933-L939 HydrophobicContact CB-CD1 4.33Å; F933-F941 HydrophobicContact CB-CE2 3.84Å; F933-F941 HydrophobicContact CB-CZ 3.61Å; F933-F941 HydrophobicContact CD2-CZ 4.23Å; F933-F941 HydrophobicContact CG-CZ 4.25Å |
| 934 | E | 80.3 | Confident | 86.5 | Confident | 124 Ų | 124 | 89 Ų | 89 | 58% | 0.579 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -16.6 | 179.5 | -77.4 | 178.7 | -177 | 0 | 0 | 114.4 | Q930 D936 | Q930-E934 PolarHBondContact O-N 3.23Å; E934-D936 VanDerWaalsContact C-N 3.29Å; E934-D936 PolarHBondContact O-N 2.98Å |
| 935 | S | 80.6 | Confident | 86.2 | Confident | 115 Ų | 115 | 87.3 Ų | 87.3 | 80% | 0.804 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -30.3 | 175.9 | 63.9 | 0 | 0 | 0 | 0 | 113.3 | F933 | F933-S935 PolarHBondContact O-N 3.11Š|
| 936 | D | 84.9 | Confident | 85.9 | Confident | 35 Ų | 35 | 91.4 Ų | 91.4 | 19% | 0.187 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -94.8 | 105.1 | 173.3 | -164.1 | -31.8 | 0 | 0 | 0 | 110.4 | F933 E934 R938 L939 | F933-D936 PolarHBondContact O-N 2.71Å; F933-D936 VanDerWaalsContact O-N 3.13Å; E934-D936 VanDerWaalsContact C-N 3.29Å; E934-D936 PolarHBondContact O-N 2.98Å; D936-R938 PolarHBondContact O-N 3.37Å; D936-R938 VanDerWaalsContact OD1-CB 3.25Å; D936-R938 WeakPolarHBondContact OD1-CB 3.44Å; D936-R938 WeakPolarHBondContact OD1-CG 3.29Å; D936-R938 IonicContact OD1-CZ 2.91Å; D936-R938 PolarHBondContact OD1-N 2.94Å; D936-R938 IonicContact OD1-NE 2.76Å; D936-R938 PolarHBondContact OD1-NE 2.88Å; D936-R938 IonicContact OD1-NH2 2.58Å; D936-R938 IonicContact OD2-CZ 2.85Å; D936-R938 IonicContact OD2-NE 2.64Å; D936-R938 PolarHBondContact OD2-NE 3.23Å; D936-R938 IonicContact OD2-NH2 2.82Å; D936-R938 PolarHBondContact OD2-NH2 3.1Å; D936-L939 HydrophobicContact CB-CD1 4.47Å; D936-L939 PolarHBondContact O-N 2.96Å; D936-L939 VanDerWaalsContact O-N 3.09Å |
| 937 | K | 86.1 | Confident | 85.8 | Confident | 192 Ų | 192 | 93.7 Ų | 93.7 | 84% | 0.835 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -9.8 | -178.3 | -61.1 | -173.7 | 178.9 | -178.1 | 0 | 114.2 | ||
| 938 | R | 91.3 | Very high | 85.8 | Confident | 61 Ų | 61 | 89.7 Ų | 89.7 | 23% | 0.23 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -19.3 | 177.7 | -57 | 175.1 | -72.9 | 179.8 | -3.4 | 112.4 | L909 N912 L915 K916 E917 I918 D936 | L909-R938 PolarHBondContact O-NH1 2.78Å; L909-R938 PolarHBondContact O-NH2 3.37Å; N912-R938 PolarHBondContact O-NH1 3.36Å; L915-R938 WeakPolarHBondContact O-CD 3.49Å; K916-R938 WeakPolarHBondContact O-CB 3.23Å; K916-R938 VanDerWaalsContact O-CG 3.27Å; K916-R938 WeakPolarHBondContact O-CG 3.49Å; E917-R938 WeakPolarHBondContact CA-O 3.47Å; I918-R938 PolarHBondContact N-O 3.38Å; D936-R938 PolarHBondContact O-N 3.37Å; D936-R938 VanDerWaalsContact OD1-CB 3.25Å; D936-R938 WeakPolarHBondContact OD1-CB 3.44Å; D936-R938 WeakPolarHBondContact OD1-CG 3.29Å; D936-R938 IonicContact OD1-CZ 2.91Å; D936-R938 PolarHBondContact OD1-N 2.94Å; D936-R938 IonicContact OD1-NE 2.76Å; D936-R938 PolarHBondContact OD1-NE 2.88Å; D936-R938 IonicContact OD1-NH2 2.58Å; D936-R938 IonicContact OD2-CZ 2.85Å; D936-R938 IonicContact OD2-NE 2.64Å; D936-R938 PolarHBondContact OD2-NE 3.23Å; D936-R938 IonicContact OD2-NH2 2.82Å; D936-R938 PolarHBondContact OD2-NH2 3.1Å |
| 939 | L | 91.4 | Very high | 85.8 | Confident | 8 Ų | 8 | 85.2 Ų | 85.2 | 4% | 0.042 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 111.8 | 173.2 | -74.1 | 167.8 | 0 | 0 | 0 | 109.7 | I902 F905 A906 L909 I918 F933 D936 F941 | I902-L939 HydrophobicContact CG2-CD1 4.45Å; F905-L939 HydrophobicContact CB-CD2 4.39Å; A906-L939 HydrophobicContact CB-CD1 4Å; L909-L939 HydrophobicContact CD1-CD1 4Å; L909-L939 HydrophobicContact CD1-CD2 3.87Å; L909-L939 HydrophobicContact CD1-CG 3.6Å; I918-L939 HydrophobicContact CB-CD2 4.02Å; I918-L939 HydrophobicContact CD1-CD2 4.5Å; I918-L939 HydrophobicContact CG2-CD2 4.28Å; I918-L939 WeakPolarHBondContact O-CA 3.12Å; F933-L939 HydrophobicContact CB-CD1 4.33Å; D936-L939 HydrophobicContact CB-CD1 4.47Å; D936-L939 PolarHBondContact O-N 2.96Å; D936-L939 VanDerWaalsContact O-N 3.09Å; L939-F941 HydrophobicContact CB-CE2 3.87Å; L939-F941 HydrophobicContact CB-CZ 4.25Å |
| 940 | L | 90.6 | Very high | 85.6 | Confident | 33 Ų | 33 | 87.4 Ų | 87.4 | 17% | 0.173 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 123.1 | -176.5 | -57.4 | 179.1 | 0 | 0 | 0 | 111.1 | E917 I918 C919 V920 K921 | E917-L940 HydrophobicContact CB-CD1 4.18Å; E917-L940 HydrophobicContact CG-CD1 4.12Å; I918-L940 PolarHBondContact O-N 3.48Å; C919-L940 WeakPolarHBondContact CA-O 3.46Å; C919-L940 HydrophobicContact CB-CB 4.21Å; V920-L940 PolarHBondContact N-O 3.44Å; K921-L940 PolarHBondContact N-O 2.88Å |
| 941 | F | 85.5 | Confident | 85.5 | Confident | 23 Ų | 23 | 90.8 Ų | 90.8 | 10% | 0.101 | 42% | 0.422 | C | S | . | . | trans | -107.9 | -12.2 | 179.3 | -61.3 | -86.5 | 0 | 0 | 0 | 113.6 | I902 V920 K921 L925 Q930 F933 L939 | I902-F941 HydrophobicContact CG2-CE1 4.38Å; I902-F941 HydrophobicContact CG2-CZ 4.13Å; V920-F941 HydrophobicContact CG2-CD1 3.62Å; V920-F941 HydrophobicContact CG2-CE1 3.39Å; V920-F941 HydrophobicContact CG2-CG 4.33Å; V920-F941 HydrophobicContact CG2-CZ 3.93Å; K921-F941 WeakPolarHBondContact CB-O 3.29Å; K921-F941 WeakPolarHBondContact CG-O 3.5Å; L925-F941 HydrophobicContact CD2-CE1 4.29Å; Q930-F941 HydrophobicContact CB-CD1 4.18Å; Q930-F941 HydrophobicContact CB-CG 4.28Å; Q930-F941 HydrophobicContact CG-CB 4.45Å; Q930-F941 HydrophobicContact CG-CD1 3.65Å; Q930-F941 HydrophobicContact CG-CE1 4.12Å; Q930-F941 HydrophobicContact CG-CG 4.12Å; F933-F941 HydrophobicContact CB-CE2 3.84Å; F933-F941 HydrophobicContact CB-CZ 3.61Å; F933-F941 HydrophobicContact CD2-CZ 4.23Å; F933-F941 HydrophobicContact CG-CZ 4.25Å; L939-F941 HydrophobicContact CB-CE2 3.87Å; L939-F941 HydrophobicContact CB-CZ 4.25Å | ||
| 942 | H | 73.5 | Confident | 85.4 | Confident | 176 Ų | 176 | 87 Ų | 87 | 82% | 0.815 | 41% | 0.408 | S | S | * | . | trans | -107.1 | 0 | -171.7 | 55.1 | -92.2 | 0 | 0 | 0 | 114.4 | K921 | K921-H942 WeakPolarHBondContact CD-OXT 3.47Å; K921-H942 WeakPolarHBondContact CE-OXT 3.36Å; K921-H942 PolarHBondContact NZ-OXT 2.81Å |
Retrieved 942 of 942 residues in 1574.7 ms
(Link to these results)