| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.9 | Very low | 39.9 | Very low | 239 Ų | 239 | 153.2 Ų | 153.2 | 100% | 1.177 | 71% | 0.713 | S | S | * | * | 0 | 112.3 | 0 | -72.9 | 166.3 | 72.9 | 0 | 0 | 108.8 | K3 | M1-K3 PolarHBondContact O-N 3.15Å; M1-K3 VanDerWaalsContact O-N 3.15Å | |||
| 2 | K | 34.9 | Very low | 40.4 | Very low | 211 Ų | 211 | 145.7 Ų | 145.7 | 92% | 0.917 | 67% | 0.674 | S | S | * | * | trans | -63.6 | 112.7 | 177 | -77.8 | -179.6 | 175.5 | 179.3 | 0 | 108.5 | R4 | K2-R4 PolarHBondContact O-N 2.75Š| ||
| 3 | K | 36.6 | Very low | 40.7 | Very low | 208 Ų | 208 | 143.8 Ų | 143.8 | 90% | 0.904 | 66% | 0.663 | S | S | * | * | trans | -59.3 | 105 | 168.9 | -76.3 | -177.8 | 175.6 | -179.7 | 0 | 107.2 | M1 A5 | M1-K3 PolarHBondContact O-N 3.15Å; M1-K3 VanDerWaalsContact O-N 3.15Å; K3-A5 PolarHBondContact O-N 2.68Å; K3-A5 VanDerWaalsContact O-N 3.11Å | ||
| 4 | R | 36.9 | Very low | 40.6 | Very low | 241 Ų | 241 | 141.1 Ų | 141.1 | 91% | 0.909 | 66% | 0.655 | S | S | * | * | trans | -65.3 | 108.3 | 166 | -83.9 | -177.6 | 173.3 | 175.7 | -2.1 | 106.1 | K2 L6 | K2-R4 PolarHBondContact O-N 2.75Å; R4-L6 PolarHBondContact O-N 2.99Å | ||
| 5 | A | 38.3 | Very low | 40.9 | Very low | 92 Ų | 92 | 132.1 Ų | 132.1 | 76% | 0.76 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 129.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | K3 | K3-A5 PolarHBondContact O-N 2.68Å; K3-A5 VanDerWaalsContact O-N 3.11Å |
| 6 | L | 38.5 | Very low | 41 | Very low | 104 Ų | 104 | 128.6 Ų | 128.6 | 55% | 0.545 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 134.5 | 171.5 | -95.8 | 105.6 | 0 | 0 | 0 | 108 | R4 Y8 F10 | R4-L6 PolarHBondContact O-N 2.99Å; L6-Y8 PolarHBondContact O-N 3.26Å; L6-F10 HydrophobicContact CD2-CB 3.97Å; L6-F10 HydrophobicContact CD2-CD1 3.37Å; L6-F10 HydrophobicContact CD2-CE1 4.1Å; L6-F10 HydrophobicContact CD2-CG 3.87Å |
| 7 | P | 42.3 | Very low | 41 | Very low | 68 Ų | 68 | 127.8 Ų | 127.8 | 44% | 0.442 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -55.9 | 136.9 | 176.1 | -22.1 | 32 | 0 | 0 | 0 | 110.1 | W9 F10 | P7-W9 HydrophobicContact CB-CG 4.2Å; P7-W9 PolarHBondContact O-N 3.11Å; P7-F10 WeakPolarHBondContact O-CB 3.23Å; P7-F10 PolarHBondContact O-N 3.33Å |
| 8 | Y | 44.6 | Very low | 41 | Very low | 203 Ų | 203 | 123.6 Ų | 123.6 | 80% | 0.796 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -48.2 | -36.9 | -179 | -86.8 | -91.6 | 0 | 0 | 0 | 112.7 | L6 F10 L11 W12 | L6-Y8 PolarHBondContact O-N 3.26Å; Y8-F10 VanDerWaalsContact C-N 3.28Å; Y8-F10 PolarHBondContact O-N 3.26Å; Y8-L11 PolarHBondContact O-N 3.47Å; Y8-W12 VanDerWaalsContact O-CD1 3.24Å; Y8-W12 PolarHBondContact O-N 2.97Å |
| 9 | W | 45.5 | Very low | 41 | Very low | 134 Ų | 134 | 121.6 Ų | 121.6 | 51% | 0.508 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.4 | -27.7 | 178.2 | 72.2 | -88.6 | 0 | 0 | 0 | 114.8 | P7 W12 F13 P267 | P7-W9 HydrophobicContact CB-CG 4.2Å; P7-W9 PolarHBondContact O-N 3.11Å; W9-W12 PolarHBondContact O-N 3.48Å; W9-F13 PolarHBondContact O-N 3.32Å; W9-F13 VanDerWaalsContact O-N 3.08Å; W9-P267 HydrophobicContact CB-CG 4.34Å; W9-P267 HydrophobicContact CD2-CG 4.39Å; W9-P267 HydrophobicContact CE3-CG 4.2Å; W9-P267 HydrophobicContact CG-CG 4.46Å |
| 10 | F | 41.3 | Very low | 41 | Very low | 98 Ų | 98 | 121.8 Ų | 121.8 | 43% | 0.43 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -76.6 | -31.3 | -178.5 | -150.2 | -87 | 0 | 0 | 0 | 112.4 | L6 P7 Y8 W12 | L6-F10 HydrophobicContact CD2-CB 3.97Å; L6-F10 HydrophobicContact CD2-CD1 3.37Å; L6-F10 HydrophobicContact CD2-CE1 4.1Å; L6-F10 HydrophobicContact CD2-CG 3.87Å; P7-F10 WeakPolarHBondContact O-CB 3.23Å; P7-F10 PolarHBondContact O-N 3.33Å; Y8-F10 VanDerWaalsContact C-N 3.28Å; Y8-F10 PolarHBondContact O-N 3.26Å; F10-W12 VanDerWaalsContact C-N 3.3Å |
| 11 | L | 41.8 | Very low | 40.8 | Very low | 87 Ų | 87 | 119.5 Ų | 119.5 | 46% | 0.455 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.8 | -33.2 | 171.1 | -99.9 | 135.6 | 0 | 0 | 0 | 111.5 | Y8 V15 L38 | Y8-L11 PolarHBondContact O-N 3.47Å; L11-V15 WeakPolarHBondContact O-CG2 3.35Å; L11-L38 HydrophobicContact CD2-CD2 3.96Å |
| 12 | W | 46.6 | Very low | 41.2 | Very low | 63 Ų | 63 | 114.5 Ų | 114.5 | 24% | 0.239 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -76.1 | -34 | 177.6 | -81.3 | 80.2 | 0 | 0 | 0 | 113.8 | Y8 W9 F10 L14 V15 F16 V42 P291 | Y8-W12 VanDerWaalsContact O-CD1 3.24Å; Y8-W12 PolarHBondContact O-N 2.97Å; W9-W12 PolarHBondContact O-N 3.48Å; F10-W12 VanDerWaalsContact C-N 3.3Å; W12-L14 PolarHBondContact O-N 2.85Å; W12-V15 WeakPolarHBondContact O-CB 3.46Å; W12-V15 PolarHBondContact O-N 3.41Å; W12-F16 PolarHBondContact O-N 2.86Å; W12-V42 HydrophobicContact CH2-CB 3.64Å; W12-V42 HydrophobicContact CH2-CG1 3.39Å; W12-V42 HydrophobicContact CH2-CG2 3.16Å; W12-V42 HydrophobicContact CZ2-CB 4.28Å; W12-V42 HydrophobicContact CZ2-CG1 4.46Å; W12-V42 HydrophobicContact CZ2-CG2 3.48Å; W12-V42 VanDerWaalsContact CZ2-CG2 3.48Å; W12-V42 HydrophobicContact CZ3-CB 4.3Å; W12-V42 HydrophobicContact CZ3-CG1 3.71Å; W12-V42 HydrophobicContact CZ3-CG2 3.78Å; W12-P291 HydrophobicContact CZ3-CB 4.39Å |
| 13 | F | 44 | Very low | 41.5 | Very low | 121 Ų | 121 | 108.7 Ų | 108.7 | 53% | 0.531 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.3 | -28.3 | 175.4 | -148.6 | -89.7 | 0 | 0 | 0 | 112.8 | W9 N17 | W9-F13 PolarHBondContact O-N 3.32Å; W9-F13 VanDerWaalsContact O-N 3.08Å; F13-N17 PolarHBondContact O-ND2 3.28Å |
| 14 | L | 38.9 | Very low | 41.7 | Very low | 107 Ų | 107 | 108.4 Ų | 108.4 | 56% | 0.56 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -76.9 | -26.4 | 173.6 | -82.3 | 160.7 | 0 | 0 | 0 | 113.3 | W12 V18 | W12-L14 PolarHBondContact O-N 2.85Å; L14-V18 VanDerWaalsContact O-CG2 3.28Å; L14-V18 WeakPolarHBondContact O-CG2 3.35Å |
| 15 | V | 45.6 | Very low | 42.2 | Very low | 6 Ų | 6 | 99 Ų | 99 | 4% | 0.036 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -68.5 | -44.2 | 177.6 | -176.3 | 0 | 0 | 0 | 0 | 110.6 | L11 W12 V18 L38 | L11-V15 WeakPolarHBondContact O-CG2 3.35Å; W12-V15 WeakPolarHBondContact O-CB 3.46Å; W12-V15 PolarHBondContact O-N 3.41Å; V15-V18 PolarHBondContact O-N 3.29Å; V15-L38 HydrophobicContact CG2-CB 3.81Å; V15-L38 HydrophobicContact CG2-CD1 3.95Å; V15-L38 HydrophobicContact CG2-CD2 3.71Å; V15-L38 HydrophobicContact CG2-CG 4Å |
| 16 | F | 42.7 | Very low | 42.6 | Very low | 75 Ų | 75 | 98.9 Ų | 98.9 | 33% | 0.329 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -71.2 | -33.7 | -175.1 | -106.3 | -90.7 | 0 | 0 | 0 | 113.9 | W12 V18 V19 A295 | W12-F16 PolarHBondContact O-N 2.86Å; F16-V18 PolarHBondContact O-N 2.81Å; F16-V18 VanDerWaalsContact O-N 3.16Å; F16-V19 PolarHBondContact O-N 3.16Å; F16-A295 HydrophobicContact CZ-CB 4.09Å |
| 17 | N | 40.3 | Very low | 43 | Very low | 115 Ų | 115 | 99.8 Ų | 99.8 | 62% | 0.615 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -6.2 | 174.6 | -75.8 | -72 | 0 | 0 | 0 | 113.4 | F13 | F13-N17 PolarHBondContact O-ND2 3.28Š|
| 18 | V | 41.5 | Very low | 43.4 | Very low | 52 Ų | 52 | 101.3 Ų | 101.3 | 32% | 0.315 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -5.5 | 178.6 | -179.7 | 0 | 0 | 0 | 0 | 112 | L14 V15 F16 V20 I25 L35 | L14-V18 VanDerWaalsContact O-CG2 3.28Å; L14-V18 WeakPolarHBondContact O-CG2 3.35Å; V15-V18 PolarHBondContact O-N 3.29Å; F16-V18 PolarHBondContact O-N 2.81Å; F16-V18 VanDerWaalsContact O-N 3.16Å; V18-V20 VanDerWaalsContact C-N 3.26Å; V18-V20 PolarHBondContact O-N 3.46Å; V18-I25 HydrophobicContact CG1-CD1 3.94Å; V18-L35 HydrophobicContact CG1-CD2 3.89Å |
| 19 | V | 41.6 | Very low | 44.3 | Very low | 87 Ų | 87 | 96.2 Ų | 96.2 | 53% | 0.527 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -75.9 | -15.7 | 178.5 | -179.6 | 0 | 0 | 0 | 0 | 112.4 | F16 D21 | F16-V19 PolarHBondContact O-N 3.16Å; V19-D21 PolarHBondContact O-N 3.17Å |
| 20 | V | 39.8 | Very low | 44.7 | Very low | 124 Ų | 124 | 93.8 Ų | 93.8 | 75% | 0.752 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | 110.9 | 169.9 | -170.7 | 0 | 0 | 0 | 0 | 107.7 | V18 | V18-V20 VanDerWaalsContact C-N 3.26Å; V18-V20 PolarHBondContact O-N 3.46Å |
| 21 | D | 38.5 | Very low | 45.5 | Very low | 74 Ų | 74 | 91.3 Ų | 91.3 | 40% | 0.396 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.7 | 52.6 | 171.3 | -140.7 | -7 | 0 | 0 | 0 | 117.4 | V19 A23 R24 I25 | V19-D21 PolarHBondContact O-N 3.17Å; D21-A23 PolarHBondContact O-N 2.91Å; D21-A23 VanDerWaalsContact O-N 3.15Å; D21-R24 PolarHBondContact O-N 3.34Å; D21-R24 WeakPolarHBondContact OD2-CD 3.47Å; D21-I25 WeakPolarHBondContact O-CD1 3.44Å; D21-I25 WeakPolarHBondContact O-CG1 3.27Å; D21-I25 PolarHBondContact O-N 3.23Å |
| 22 | E | 44.6 | Very low | 46.1 | Very low | 134 Ų | 134 | 91.6 Ų | 91.6 | 63% | 0.626 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -57.7 | -22.2 | 168.2 | -109 | -172 | 170.6 | 0 | 0 | 113.3 | N26 | E22-N26 PolarHBondContact O-ND2 3.2Å |
| 23 | A | 41.4 | Very low | 46.6 | Very low | 90 Ų | 90 | 96.1 Ų | 96.1 | 74% | 0.744 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -74.7 | -31.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | D21 | D21-A23 PolarHBondContact O-N 2.91Å; D21-A23 VanDerWaalsContact O-N 3.15Å |
| 24 | R | 40.3 | Very low | 47.4 | Very low | 201 Ų | 201 | 94.3 Ų | 94.3 | 76% | 0.758 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -95.6 | -22.1 | 179.3 | -78.1 | -174.3 | 171.9 | 178.3 | -0.7 | 114.9 | D21 N26 | D21-R24 PolarHBondContact O-N 3.34Å; D21-R24 WeakPolarHBondContact OD2-CD 3.47Å; R24-N26 VanDerWaalsContact C-N 3.31Å; R24-N26 PolarHBondContact O-N 3.36Å |
| 25 | I | 47.5 | Very low | 48.3 | Very low | 44 Ų | 44 | 91.1 Ų | 91.1 | 23% | 0.226 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -81.5 | -12.8 | -174 | -64.9 | 169.6 | 0 | 0 | 0 | 112.8 | V18 D21 T27 V31 L35 | V18-I25 HydrophobicContact CG1-CD1 3.94Å; D21-I25 WeakPolarHBondContact O-CD1 3.44Å; D21-I25 WeakPolarHBondContact O-CG1 3.27Å; D21-I25 PolarHBondContact O-N 3.23Å; I25-T27 PolarHBondContact O-N 2.98Å; I25-V31 HydrophobicContact CG2-CB 4.02Å; I25-V31 HydrophobicContact CG2-CG1 3.3Å; I25-L35 HydrophobicContact CG2-CD1 4.18Å |
| 26 | N | 47.4 | Very low | 49 | Very low | 90 Ų | 90 | 100.4 Ų | 100.4 | 48% | 0.481 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -4.9 | -170.4 | -105 | -45.4 | 0 | 0 | 0 | 116.4 | E22 R24 K32 | E22-N26 PolarHBondContact O-ND2 3.2Å; R24-N26 VanDerWaalsContact C-N 3.31Å; R24-N26 PolarHBondContact O-N 3.36Å; N26-K32 PolarHBondContact O-NZ 2.86Å; N26-K32 WeakPolarHBondContact OD1-CE 3.34Å; N26-K32 PolarHBondContact OD1-NZ 3.3Å; N26-K32 VanDerWaalsContact OD1-NZ 3.12Å |
| 27 | T | 47.9 | Very low | 49.7 | Very low | 123 Ų | 123 | 101.1 Ų | 101.1 | 76% | 0.755 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -8.5 | -172.3 | 49 | 0 | 0 | 0 | 0 | 115.6 | I25 | I25-T27 PolarHBondContact O-N 2.98Š|
| 28 | I | 50.8 | Low | 50.5 | Low | 100 Ų | 100 | 97.7 Ų | 97.7 | 51% | 0.513 | 52% | 0.52 | S | S | . | . | trans | -116.8 | 102 | -175.4 | -55.4 | 177.3 | 0 | 0 | 0 | 110.8 | P30 V31 K32 | I28-P30 VanDerWaalsContact C-CD 3.48Å; I28-P30 VanDerWaalsContact C-N 3.33Å; I28-P30 HydrophobicContact CG2-CB 4.4Å; I28-P30 HydrophobicContact CG2-CG 4.05Å; I28-P30 VanDerWaalsContact O-N 3.15Å; I28-V31 HydrophobicContact CB-CG2 4.15Å; I28-V31 HydrophobicContact CG2-CG2 4.13Å; I28-V31 PolarHBondContact O-N 3.12Å; I28-K32 PolarHBondContact O-N 3.4Å | ||
| 29 | S | 62.1 | Low | 51.5 | Low | 95 Ų | 95 | 99.3 Ų | 99.3 | 66% | 0.664 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -42.1 | -43.7 | 179.9 | 161.5 | 0 | 0 | 0 | 0 | 115.6 | V31 K32 K33 | S29-V31 VanDerWaalsContact C-N 3.32Å; S29-V31 PolarHBondContact O-N 3.33Å; S29-K32 PolarHBondContact O-N 3.35Å; S29-K33 PolarHBondContact O-N 2.92Å; S29-K33 VanDerWaalsContact O-N 3.12Å |
| 30 | P | 54.4 | Low | 52.4 | Low | 83 Ų | 83 | 99.3 Ų | 99.3 | 54% | 0.539 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -54.5 | -41.2 | 172.6 | -28.1 | 30.3 | 0 | 0 | 0 | 114.5 | I28 K33 V34 | I28-P30 VanDerWaalsContact C-CD 3.48Å; I28-P30 VanDerWaalsContact C-N 3.33Å; I28-P30 HydrophobicContact CG2-CB 4.4Å; I28-P30 HydrophobicContact CG2-CG 4.05Å; I28-P30 VanDerWaalsContact O-N 3.15Å; P30-K33 PolarHBondContact O-N 2.85Å; P30-V34 WeakPolarHBondContact O-CG2 3.39Å; P30-V34 PolarHBondContact O-N 3Å |
| 31 | V | 57 | Low | 53.8 | Low | 47 Ų | 47 | 97.4 Ų | 97.4 | 29% | 0.285 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -71.7 | -39.2 | -177.9 | -172.2 | 0 | 0 | 0 | 0 | 110.8 | I25 I28 S29 K33 V34 L35 | I25-V31 HydrophobicContact CG2-CB 4.02Å; I25-V31 HydrophobicContact CG2-CG1 3.3Å; I28-V31 HydrophobicContact CB-CG2 4.15Å; I28-V31 HydrophobicContact CG2-CG2 4.13Å; I28-V31 PolarHBondContact O-N 3.12Å; S29-V31 VanDerWaalsContact C-N 3.32Å; S29-V31 PolarHBondContact O-N 3.33Å; V31-K33 VanDerWaalsContact C-N 3.29Å; V31-K33 PolarHBondContact O-N 3.03Å; V31-V34 PolarHBondContact O-N 3.25Å; V31-L35 HydrophobicContact CG1-CD1 4.05Å; V31-L35 HydrophobicContact CG1-CG 4.31Å; V31-L35 WeakPolarHBondContact O-CB 3.22Å; V31-L35 WeakPolarHBondContact O-CG 3.39Å; V31-L35 PolarHBondContact O-N 2.87Å |
| 32 | K | 56.3 | Low | 55.6 | Low | 93 Ų | 93 | 94.6 Ų | 94.6 | 40% | 0.404 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.2 | -40.6 | 171.3 | -86.1 | -179.7 | 171.2 | 163.1 | 0 | 112.3 | N26 I28 S29 R36 | N26-K32 PolarHBondContact O-NZ 2.86Å; N26-K32 WeakPolarHBondContact OD1-CE 3.34Å; N26-K32 PolarHBondContact OD1-NZ 3.3Å; N26-K32 VanDerWaalsContact OD1-NZ 3.12Å; I28-K32 PolarHBondContact O-N 3.4Å; S29-K32 PolarHBondContact O-N 3.35Å; K32-R36 WeakPolarHBondContact O-CB 3.45Å; K32-R36 WeakPolarHBondContact O-CG 3.47Å; K32-R36 PolarHBondContact O-N 3.32Å |
| 33 | K | 55.9 | Low | 57.6 | Low | 157 Ų | 157 | 91.3 Ų | 91.3 | 68% | 0.683 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.8 | -42.3 | 177.5 | -166.5 | 176.2 | -178.1 | 179.6 | 0 | 111.5 | S29 P30 V31 R36 T37 | S29-K33 PolarHBondContact O-N 2.92Å; S29-K33 VanDerWaalsContact O-N 3.12Å; P30-K33 PolarHBondContact O-N 2.85Å; V31-K33 VanDerWaalsContact C-N 3.29Å; V31-K33 PolarHBondContact O-N 3.03Å; K33-R36 PolarHBondContact O-N 3.4Å; K33-T37 WeakPolarHBondContact O-CB 3.43Å; K33-T37 PolarHBondContact O-N 2.87Å; K33-T37 PolarHBondContact O-OG1 3.18Å |
| 34 | V | 61.8 | Low | 59.9 | Low | 83 Ų | 83 | 91 Ų | 91 | 50% | 0.503 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.7 | -48.2 | 175.2 | 171.1 | 0 | 0 | 0 | 0 | 111 | P30 V31 R36 T37 L38 | P30-V34 WeakPolarHBondContact O-CG2 3.39Å; P30-V34 PolarHBondContact O-N 3Å; V31-V34 PolarHBondContact O-N 3.25Å; V34-R36 PolarHBondContact O-N 3.15Å; V34-T37 PolarHBondContact O-N 3.37Å; V34-T37 VanDerWaalsContact O-N 3.16Å; V34-L38 HydrophobicContact CG1-CD1 3.56Å; V34-L38 HydrophobicContact CG1-CG 4.3Å; V34-L38 WeakPolarHBondContact O-CB 3.41Å; V34-L38 VanDerWaalsContact O-CG 3.27Å; V34-L38 WeakPolarHBondContact O-CG 3.39Å; V34-L38 PolarHBondContact O-N 3.31Å |
| 35 | L | 57.8 | Low | 62.3 | Low | 41 Ų | 41 | 82.2 Ų | 82.2 | 22% | 0.215 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -59.9 | -44.8 | 175.9 | -76.1 | 170 | 0 | 0 | 0 | 112.3 | V18 I25 V31 T37 L38 K39 | V18-L35 HydrophobicContact CG1-CD2 3.89Å; I25-L35 HydrophobicContact CG2-CD1 4.18Å; V31-L35 HydrophobicContact CG1-CD1 4.05Å; V31-L35 HydrophobicContact CG1-CG 4.31Å; V31-L35 WeakPolarHBondContact O-CB 3.22Å; V31-L35 WeakPolarHBondContact O-CG 3.39Å; V31-L35 PolarHBondContact O-N 2.87Å; L35-T37 VanDerWaalsContact C-N 3.31Å; L35-T37 PolarHBondContact O-N 3.25Å; L35-L38 PolarHBondContact O-N 3.04Å; L35-K39 WeakPolarHBondContact O-CB 2.94Å; L35-K39 WeakPolarHBondContact O-CG 3.43Å; L35-K39 PolarHBondContact O-N 2.76Å |
| 36 | R | 59.7 | Low | 64.3 | Low | 201 Ų | 201 | 80.6 Ų | 80.6 | 76% | 0.758 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -61.3 | -39.1 | 174.8 | -80.2 | -177.8 | 179.5 | 177.4 | -0.4 | 112.7 | K32 K33 V34 K39 S40 | K32-R36 WeakPolarHBondContact O-CB 3.45Å; K32-R36 WeakPolarHBondContact O-CG 3.47Å; K32-R36 PolarHBondContact O-N 3.32Å; K33-R36 PolarHBondContact O-N 3.4Å; V34-R36 PolarHBondContact O-N 3.15Å; R36-K39 PolarHBondContact O-N 3.12Å; R36-S40 PolarHBondContact O-N 3.46Å |
| 37 | T | 57.2 | Low | 66.1 | Low | 89 Ų | 89 | 79.7 Ų | 79.7 | 55% | 0.546 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -68.7 | -39.9 | 177.9 | -48.4 | 0 | 0 | 0 | 0 | 110.8 | K33 V34 L35 S40 | K33-T37 WeakPolarHBondContact O-CB 3.43Å; K33-T37 PolarHBondContact O-N 2.87Å; K33-T37 PolarHBondContact O-OG1 3.18Å; V34-T37 PolarHBondContact O-N 3.37Å; V34-T37 VanDerWaalsContact O-N 3.16Å; L35-T37 VanDerWaalsContact C-N 3.31Å; L35-T37 PolarHBondContact O-N 3.25Å; T37-S40 PolarHBondContact O-N 2.92Å; T37-S40 PolarHBondContact O-OG 3.14Å |
| 38 | L | 58 | Low | 68.2 | Low | 43 Ų | 43 | 75.8 Ų | 75.8 | 23% | 0.225 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -69.3 | -32 | 176.7 | -70.5 | 165.4 | 0 | 0 | 0 | 112.9 | L11 V15 V34 L35 S40 V42 | L11-L38 HydrophobicContact CD2-CD2 3.96Å; V15-L38 HydrophobicContact CG2-CB 3.81Å; V15-L38 HydrophobicContact CG2-CD1 3.95Å; V15-L38 HydrophobicContact CG2-CD2 3.71Å; V15-L38 HydrophobicContact CG2-CG 4Å; V34-L38 HydrophobicContact CG1-CD1 3.56Å; V34-L38 HydrophobicContact CG1-CG 4.3Å; V34-L38 WeakPolarHBondContact O-CB 3.41Å; V34-L38 VanDerWaalsContact O-CG 3.27Å; V34-L38 WeakPolarHBondContact O-CG 3.39Å; V34-L38 PolarHBondContact O-N 3.31Å; L35-L38 PolarHBondContact O-N 3.04Å; L38-S40 VanDerWaalsContact C-N 3.29Å; L38-V42 VanDerWaalsContact O-CG2 3.23Å; L38-V42 WeakPolarHBondContact O-CG2 3.46Å |
| 39 | K | 61.7 | Low | 70.2 | Confident | 86 Ų | 86 | 74 Ų | 74 | 37% | 0.374 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -71 | -21.8 | 173 | -73.5 | -172.7 | 177.4 | -170.3 | 0 | 112.8 | L35 R36 G41 V42 Y47 | L35-K39 WeakPolarHBondContact O-CB 2.94Å; L35-K39 WeakPolarHBondContact O-CG 3.43Å; L35-K39 PolarHBondContact O-N 2.76Å; R36-K39 PolarHBondContact O-N 3.12Å; K39-G41 PolarHBondContact O-N 2.63Å; K39-V42 PolarHBondContact O-N 2.71Å; K39-Y47 HydrophobicContact CB-CE2 4.4Å; K39-Y47 HydrophobicContact CD-CD2 4.39Å; K39-Y47 HydrophobicContact CD-CE2 4.25Å; K39-Y47 HydrophobicContact CG-CD2 4.39Å; K39-Y47 HydrophobicContact CG-CE1 4.39Å; K39-Y47 HydrophobicContact CG-CE2 3.77Å |
| 40 | S | 59.9 | Low | 71.8 | Confident | 87 Ų | 87 | 69.5 Ų | 69.5 | 61% | 0.608 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | 121.6 | 179.2 | 77.2 | 0 | 0 | 0 | 0 | 111.2 | R36 T37 L38 | R36-S40 PolarHBondContact O-N 3.46Å; T37-S40 PolarHBondContact O-N 2.92Å; T37-S40 PolarHBondContact O-OG 3.14Å; L38-S40 VanDerWaalsContact C-N 3.29Å |
| 41 | G | 70.7 | Confident | 73.8 | Confident | 85 Ų | 85 | 66.1 Ų | 66.1 | 88% | 0.876 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.4 | 4.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | K39 | K39-G41 PolarHBondContact O-N 2.63Š|
| 42 | V | 75.8 | Confident | 75.7 | Confident | 15 Ų | 15 | 68.2 Ų | 68.2 | 9% | 0.091 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -95.6 | 137.8 | 169.4 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | W12 L38 K39 V46 Y47 | W12-V42 HydrophobicContact CH2-CB 3.64Å; W12-V42 HydrophobicContact CH2-CG1 3.39Å; W12-V42 HydrophobicContact CH2-CG2 3.16Å; W12-V42 HydrophobicContact CZ2-CB 4.28Å; W12-V42 HydrophobicContact CZ2-CG1 4.46Å; W12-V42 HydrophobicContact CZ2-CG2 3.48Å; W12-V42 VanDerWaalsContact CZ2-CG2 3.48Å; W12-V42 HydrophobicContact CZ3-CB 4.3Å; W12-V42 HydrophobicContact CZ3-CG1 3.71Å; W12-V42 HydrophobicContact CZ3-CG2 3.78Å; L38-V42 VanDerWaalsContact O-CG2 3.23Å; L38-V42 WeakPolarHBondContact O-CG2 3.46Å; K39-V42 PolarHBondContact O-N 2.71Å; V42-V46 HydrophobicContact CG1-CB 3.85Å; V42-V46 HydrophobicContact CG1-CG1 4.08Å; V42-V46 HydrophobicContact CG1-CG2 3.73Å; V42-Y47 HydrophobicContact CB-CE2 4.06Å; V42-Y47 HydrophobicContact CG1-CE2 3.63Å |
| 43 | D | 85.9 | Confident | 77.6 | Confident | 64 Ų | 64 | 63.8 Ų | 63.8 | 34% | 0.342 | 34% | 0.343 | S | S | . | . | trans | -56.1 | 126.2 | 172.3 | -166.7 | -52.6 | 0 | 0 | 0 | 109.2 | E45 V46 R289 I292 | D43-E45 PolarHBondContact O-N 3.47Å; D43-E45 VanDerWaalsContact O-N 3.14Å; D43-E45 WeakPolarHBondContact OD1-CB 3.35Å; D43-E45 WeakPolarHBondContact OD1-CG 3.36Å; D43-E45 PolarHBondContact OD1-N 2.85Å; D43-V46 HydrophobicContact CB-CG2 4.48Å; D43-V46 WeakPolarHBondContact O-CB 3.34Å; D43-V46 WeakPolarHBondContact O-CG2 3.28Å; D43-V46 PolarHBondContact O-N 3.01Å; D43-V46 VanDerWaalsContact O-N 3.12Å; D43-R289 IonicContact OD2-NH1 3.92Å; D43-I292 HydrophobicContact CB-CD1 3.99Å; D43-I292 HydrophobicContact CB-CG1 4.31Å | ||
| 44 | P | 89.6 | Confident | 79.6 | Confident | 84 Ų | 84 | 56.3 Ų | 56.3 | 55% | 0.545 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -57.3 | -28.5 | -177.3 | 23.7 | -34.7 | 0 | 0 | 0 | 112.9 | V46 Y47 Q48 | P44-V46 PolarHBondContact O-N 2.74Å; P44-Y47 PolarHBondContact O-N 2.62Å; P44-Q48 WeakPolarHBondContact O-CG 3.37Å; P44-Q48 PolarHBondContact O-N 2.76Å |
| 45 | E | 91.6 | Very high | 81.3 | Confident | 17 Ų | 17 | 55.6 Ų | 55.6 | 8% | 0.079 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -61.2 | -19.5 | -179.4 | -62.4 | -174.9 | -153.4 | 0 | 0 | 112.5 | D43 Y47 Q48 I53 K57 R289 I292 H296 | D43-E45 PolarHBondContact O-N 3.47Å; D43-E45 VanDerWaalsContact O-N 3.14Å; D43-E45 WeakPolarHBondContact OD1-CB 3.35Å; D43-E45 WeakPolarHBondContact OD1-CG 3.36Å; D43-E45 PolarHBondContact OD1-N 2.85Å; E45-Y47 PolarHBondContact O-N 3.13Å; E45-Q48 PolarHBondContact O-N 3.18Å; E45-I53 HydrophobicContact CB-CD1 4.09Å; E45-I53 HydrophobicContact CB-CG1 4.2Å; E45-I53 HydrophobicContact CG-CG1 4.14Å; E45-K57 VanDerWaalsContact OE1-CE 3.28Å; E45-K57 WeakPolarHBondContact OE1-CE 3.3Å; E45-K57 IonicContact OE1-NZ 3.47Å; E45-K57 PolarHBondContact OE1-NZ 3.42Å; E45-K57 IonicContact OE2-NZ 2.68Å; E45-K57 PolarHBondContact OE2-NZ 3.24Å; E45-R289 IonicContact OE1-NH1 3.86Å; E45-R289 IonicContact OE1-NH2 3.85Å; E45-R289 IonicContact OE2-CZ 3.65Å; E45-R289 IonicContact OE2-NH1 3.81Å; E45-R289 IonicContact OE2-NH2 2.63Å; E45-R289 PolarHBondContact OE2-NH2 3.16Å; E45-I292 HydrophobicContact CB-CD1 4.08Å; E45-I292 HydrophobicContact CB-CG1 4.25Å; E45-I292 HydrophobicContact CB-CG2 4.16Å; E45-H296 PolarHBondContact O-NE2 2.86Å |
| 46 | V | 88 | Confident | 83.1 | Confident | 10 Ų | 10 | 57 Ų | 57 | 6% | 0.061 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -60.5 | -28.1 | 173 | 172.2 | 0 | 0 | 0 | 0 | 112.6 | V42 D43 P44 P291 I292 A295 | V42-V46 HydrophobicContact CG1-CB 3.85Å; V42-V46 HydrophobicContact CG1-CG1 4.08Å; V42-V46 HydrophobicContact CG1-CG2 3.73Å; D43-V46 HydrophobicContact CB-CG2 4.48Å; D43-V46 WeakPolarHBondContact O-CB 3.34Å; D43-V46 WeakPolarHBondContact O-CG2 3.28Å; D43-V46 PolarHBondContact O-N 3.01Å; D43-V46 VanDerWaalsContact O-N 3.12Å; P44-V46 PolarHBondContact O-N 2.74Å; V46-P291 HydrophobicContact CG2-CB 3.97Å; V46-I292 HydrophobicContact CG2-CG1 3.77Å; V46-A295 HydrophobicContact CG1-CB 3.98Å; V46-A295 WeakPolarHBondContact O-CB 3.27Å |
| 47 | Y | 87 | Confident | 84.9 | Confident | 71 Ų | 71 | 48.9 Ų | 48.9 | 28% | 0.278 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | -3.8 | -175.6 | -54.6 | -75.4 | 0 | 0 | 0 | 113.4 | K39 V42 P44 E45 | K39-Y47 HydrophobicContact CB-CE2 4.4Å; K39-Y47 HydrophobicContact CD-CD2 4.39Å; K39-Y47 HydrophobicContact CD-CE2 4.25Å; K39-Y47 HydrophobicContact CG-CD2 4.39Å; K39-Y47 HydrophobicContact CG-CE1 4.39Å; K39-Y47 HydrophobicContact CG-CE2 3.77Å; V42-Y47 HydrophobicContact CB-CE2 4.06Å; V42-Y47 HydrophobicContact CG1-CE2 3.63Å; P44-Y47 PolarHBondContact O-N 2.62Å; E45-Y47 PolarHBondContact O-N 3.13Å |
| 48 | Q | 90.9 | Very high | 86.8 | Confident | 41 Ų | 41 | 47.5 Ų | 47.5 | 19% | 0.192 | 30% | 0.296 | C | S | . | . | trans | -90.4 | 142 | -176.3 | -73.4 | 177.5 | -61 | 0 | 0 | 110.6 | P44 E45 E52 I53 H296 | P44-Q48 WeakPolarHBondContact O-CG 3.37Å; P44-Q48 PolarHBondContact O-N 2.76Å; E45-Q48 PolarHBondContact O-N 3.18Å; Q48-E52 WeakPolarHBondContact CA-OE2 3.44Å; Q48-E52 HydrophobicContact CB-CB 3.78Å; Q48-E52 HydrophobicContact CG-CB 4Å; Q48-I53 HydrophobicContact CB-CD1 4.07Å; Q48-I53 HydrophobicContact CB-CG1 3.58Å; Q48-H296 PolarHBondContact O-CE1 3.3Å | ||
| 49 | N | 93.1 | Very high | 88.7 | Confident | 62 Ų | 62 | 46 Ų | 46 | 33% | 0.332 | 29% | 0.288 | S | S | . | . | trans | -72.4 | 172.4 | 166.8 | 68 | 34.7 | 0 | 0 | 0 | 110.9 | T51 E52 I53 Y136 | N49-T51 VanDerWaalsContact C-N 3.28Å; N49-T51 PolarHBondContact O-N 3.02Å; N49-T51 PolarHBondContact OD1-N 3.08Å; N49-T51 VanDerWaalsContact OD1-N 3.11Å; N49-T51 PolarHBondContact OD1-OG1 3.46Å; N49-E52 PolarHBondContact N-OE2 3.47Å; N49-E52 PolarHBondContact O-N 2.9Å; N49-E52 WeakPolarHBondContact OD1-CB 3.3Å; N49-E52 VanDerWaalsContact OD1-CG 3.3Å; N49-E52 WeakPolarHBondContact OD1-CG 3.23Å; N49-E52 PolarHBondContact OD1-N 3.42Å; N49-I53 WeakPolarHBondContact O-CG1 3.4Å; N49-I53 PolarHBondContact O-N 2.97Å; N49-Y136 HydrophobicContact CB-CE1 4.46Å | ||
| 50 | I | 95.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.8 | -38.1 | -177 | -164.8 | 177.5 | 0 | 0 | 0 | 113.2 | I53 I54 I77 A103 V107 L128 Y136 | I50-I53 PolarHBondContact O-N 3.25Å; I50-I54 HydrophobicContact CD1-CD1 4.39Å; I50-I54 HydrophobicContact CG1-CD1 3.89Å; I50-I54 HydrophobicContact CG1-CG1 4.45Å; I50-I54 WeakPolarHBondContact O-CD1 3.34Å; I50-I54 VanDerWaalsContact O-CG1 3.23Å; I50-I54 WeakPolarHBondContact O-CG1 3.07Å; I50-I54 PolarHBondContact O-N 2.95Å; I50-I77 HydrophobicContact CD1-CG1 4.38Å; I50-I77 HydrophobicContact CG2-CD1 4.16Å; I50-I77 HydrophobicContact CG2-CG1 3.97Å; I50-A103 VanDerWaalsContact CD1-C 3.45Å; I50-A103 HydrophobicContact CD1-CB 3.42Å; I50-A103 VanDerWaalsContact CD1-CB 3.42Å; I50-V107 HydrophobicContact CD1-CG2 4.05Å; I50-V107 HydrophobicContact CG1-CG2 3.72Å; I50-L128 HydrophobicContact CD1-CD1 3.98Å; I50-Y136 HydrophobicContact CB-CE1 4.3Å; I50-Y136 HydrophobicContact CB-CE2 4.44Å; I50-Y136 HydrophobicContact CG2-CD1 4.3Å; I50-Y136 HydrophobicContact CG2-CE1 3.65Å; I50-Y136 HydrophobicContact CG2-CE2 4.34Å; I50-Y136 PolarHBondContact N-OH 3.38Å |
| 51 | T | 96.4 | Very high | 92.2 | Very high | 12 Ų | 12 | 48.9 Ų | 48.9 | 7% | 0.074 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -74.3 | -36.7 | -176.7 | 49.7 | 0 | 0 | 0 | 0 | 112.2 | N49 I53 I54 S55 F61 E63 I77 | N49-T51 VanDerWaalsContact C-N 3.28Å; N49-T51 PolarHBondContact O-N 3.02Å; N49-T51 PolarHBondContact OD1-N 3.08Å; N49-T51 VanDerWaalsContact OD1-N 3.11Å; N49-T51 PolarHBondContact OD1-OG1 3.46Å; T51-I53 VanDerWaalsContact C-N 3.31Å; T51-I53 PolarHBondContact O-N 3.06Å; T51-I54 PolarHBondContact O-N 3.46Å; T51-S55 VanDerWaalsContact O-CB 3.27Å; T51-S55 WeakPolarHBondContact O-CB 3.05Å; T51-S55 PolarHBondContact O-N 3.46Å; T51-F61 HydrophobicContact CG2-CD2 3.47Å; T51-F61 VanDerWaalsContact CG2-CD2 3.47Å; T51-F61 HydrophobicContact CG2-CE2 3.36Å; T51-F61 HydrophobicContact CG2-CG 4.27Å; T51-F61 HydrophobicContact CG2-CZ 4.07Å; T51-F61 WeakPolarHBondContact O-CE1 3.4Å; T51-E63 HydrophobicContact CG2-CG 3.72Å; T51-E63 VanDerWaalsContact CG2-OE1 3.25Å; T51-E63 WeakPolarHBondContact CG2-OE1 3.5Å; T51-I77 HydrophobicContact CG2-CD1 3.91Å |
| 52 | E | 96.8 | Very high | 93.5 | Very high | 92 Ų | 92 | 47.9 Ų | 47.9 | 43% | 0.43 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.3 | -39.7 | 169.7 | -72.3 | 172.9 | 146.5 | 0 | 0 | 111.6 | Q48 N49 S56 | Q48-E52 WeakPolarHBondContact CA-OE2 3.44Å; Q48-E52 HydrophobicContact CB-CB 3.78Å; Q48-E52 HydrophobicContact CG-CB 4Å; N49-E52 PolarHBondContact N-OE2 3.47Å; N49-E52 PolarHBondContact O-N 2.9Å; N49-E52 WeakPolarHBondContact OD1-CB 3.3Å; N49-E52 VanDerWaalsContact OD1-CG 3.3Å; N49-E52 WeakPolarHBondContact OD1-CG 3.23Å; N49-E52 PolarHBondContact OD1-N 3.42Å; E52-S56 VanDerWaalsContact O-CB 3.22Å; E52-S56 WeakPolarHBondContact O-CB 3.48Å; E52-S56 PolarHBondContact O-N 3.25Å; E52-S56 PolarHBondContact O-OG 3.41Å |
| 53 | I | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.1 | -49 | 177.4 | -70.1 | 168.9 | 0 | 0 | 0 | 110.8 | E45 Q48 N49 I50 T51 S55 S56 K57 H104 | E45-I53 HydrophobicContact CB-CD1 4.09Å; E45-I53 HydrophobicContact CB-CG1 4.2Å; E45-I53 HydrophobicContact CG-CG1 4.14Å; Q48-I53 HydrophobicContact CB-CD1 4.07Å; Q48-I53 HydrophobicContact CB-CG1 3.58Å; N49-I53 WeakPolarHBondContact O-CG1 3.4Å; N49-I53 PolarHBondContact O-N 2.97Å; I50-I53 PolarHBondContact O-N 3.25Å; T51-I53 VanDerWaalsContact C-N 3.31Å; T51-I53 PolarHBondContact O-N 3.06Å; I53-S55 VanDerWaalsContact C-N 3.31Å; I53-S55 PolarHBondContact O-N 2.79Å; I53-S56 PolarHBondContact O-N 3.36Å; I53-S56 PolarHBondContact O-OG 3.18Å; I53-K57 HydrophobicContact CG2-CD 4.23Å; I53-K57 VanDerWaalsContact CG2-CE 3.49Å; I53-K57 PolarHBondContact O-N 3Å; I53-K57 VanDerWaalsContact O-N 3.17Å; I53-H104 WeakPolarHBondContact CD1-NE2 3.41Å |
| 54 | I | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.2 | -47 | 176.7 | -67.8 | 163 | 0 | 0 | 0 | 110.5 | I50 T51 K57 Y59 F61 I77 I79 V107 F117 | I50-I54 HydrophobicContact CD1-CD1 4.39Å; I50-I54 HydrophobicContact CG1-CD1 3.89Å; I50-I54 HydrophobicContact CG1-CG1 4.45Å; I50-I54 WeakPolarHBondContact O-CD1 3.34Å; I50-I54 VanDerWaalsContact O-CG1 3.23Å; I50-I54 WeakPolarHBondContact O-CG1 3.07Å; I50-I54 PolarHBondContact O-N 2.95Å; T51-I54 PolarHBondContact O-N 3.46Å; I54-K57 PolarHBondContact O-N 3.3Å; I54-Y59 PolarHBondContact O-N 2.85Å; I54-F61 HydrophobicContact CB-CD1 4.47Å; I54-F61 HydrophobicContact CG2-CB 3.87Å; I54-F61 HydrophobicContact CG2-CD1 4.14Å; I54-F61 HydrophobicContact CG2-CG 4.34Å; I54-I77 HydrophobicContact CD1-CG2 3.7Å; I54-I79 HydrophobicContact CD1-CD1 4.06Å; I54-I79 HydrophobicContact CD1-CG1 3.97Å; I54-I79 HydrophobicContact CG1-CD1 4.2Å; I54-I79 HydrophobicContact CG1-CG1 4.44Å; I54-I79 HydrophobicContact CG2-CG1 4.27Å; I54-V107 HydrophobicContact CG1-CG1 4.12Å; I54-F117 HydrophobicContact CB-CE1 4.39Å; I54-F117 HydrophobicContact CG1-CE1 4.1Å; I54-F117 HydrophobicContact CG1-CZ 4.13Å; I54-F117 HydrophobicContact CG2-CE1 4.24Å |
| 55 | S | 97.3 | Very high | 95.6 | Very high | 67 Ų | 67 | 51 Ų | 51 | 47% | 0.469 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 177.8 | -166.3 | 0 | 0 | 0 | 0 | 112.5 | T51 I53 K57 G58 | T51-S55 VanDerWaalsContact O-CB 3.27Å; T51-S55 WeakPolarHBondContact O-CB 3.05Å; T51-S55 PolarHBondContact O-N 3.46Å; I53-S55 VanDerWaalsContact C-N 3.31Å; I53-S55 PolarHBondContact O-N 2.79Å; S55-K57 PolarHBondContact O-N 2.02Å; S55-G58 PolarHBondContact O-N 3.3Å |
| 56 | S | 96.4 | Very high | 95.9 | Very high | 70 Ų | 70 | 50.5 Ų | 50.5 | 49% | 0.49 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.4 | -26.4 | -178.9 | 74.8 | 0 | 0 | 0 | 0 | 113.1 | E52 I53 G58 | E52-S56 VanDerWaalsContact O-CB 3.22Å; E52-S56 WeakPolarHBondContact O-CB 3.48Å; E52-S56 PolarHBondContact O-N 3.25Å; E52-S56 PolarHBondContact O-OG 3.41Å; I53-S56 PolarHBondContact O-N 3.36Å; I53-S56 PolarHBondContact O-OG 3.18Å; S56-G58 VanDerWaalsContact C-N 3.3Å |
| 57 | K | 96.5 | Very high | 96.5 | Very high | 32 Ų | 32 | 53.2 Ų | 53.2 | 14% | 0.139 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 3.9 | 175.5 | -67.9 | 172.2 | -164.7 | -83.1 | 0 | 113.2 | E45 I53 I54 S55 Y59 N109 P111 F117 | E45-K57 VanDerWaalsContact OE1-CE 3.28Å; E45-K57 WeakPolarHBondContact OE1-CE 3.3Å; E45-K57 IonicContact OE1-NZ 3.47Å; E45-K57 PolarHBondContact OE1-NZ 3.42Å; E45-K57 IonicContact OE2-NZ 2.68Å; E45-K57 PolarHBondContact OE2-NZ 3.24Å; I53-K57 HydrophobicContact CG2-CD 4.23Å; I53-K57 VanDerWaalsContact CG2-CE 3.49Å; I53-K57 PolarHBondContact O-N 3Å; I53-K57 VanDerWaalsContact O-N 3.17Å; I54-K57 PolarHBondContact O-N 3.3Å; S55-K57 PolarHBondContact O-N 2.02Å; K57-Y59 HydrophobicContact CB-CD2 3.94Å; K57-Y59 HydrophobicContact CB-CE2 4.15Å; K57-Y59 WeakPolarHBondContact O-CD2 3.46Å; K57-Y59 WeakPolarHBondContact O-CE2 3.16Å; K57-N109 PolarHBondContact NZ-O 3.21Å; K57-P111 HydrophobicContact CB-CG 4.11Å; K57-P111 HydrophobicContact CD-CG 4.14Å; K57-P111 HydrophobicContact CG-CG 4.18Å; K57-F117 HydrophobicContact CB-CZ 4.29Å; K57-F117 HydrophobicContact CD-CD2 4.1Å; K57-F117 HydrophobicContact CD-CE1 4.41Å; K57-F117 HydrophobicContact CD-CE2 3.24Å; K57-F117 HydrophobicContact CD-CZ 3.44Å; K57-F117 VanDerWaalsContact CD-CZ 3.44Å; K57-F117 HydrophobicContact CG-CZ 4.47Å |
| 58 | G | 96.8 | Very high | 97 | Very high | 60 Ų | 60 | 50 Ų | 50 | 62% | 0.619 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.2 | 19.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S55 S56 | S55-G58 PolarHBondContact O-N 3.3Å; S56-G58 VanDerWaalsContact C-N 3.3Å |
| 59 | Y | 97.7 | Very high | 97.4 | Very high | 11 Ų | 11 | 56.2 Ų | 56.2 | 4% | 0.043 | 29% | 0.293 | C | S | . | . | trans | -99.7 | 143.2 | 176.5 | -66.7 | -100.8 | 0 | 0 | 0 | 110.6 | I54 K57 I79 K82 P111 F117 A120 D121 | I54-Y59 PolarHBondContact O-N 2.85Å; K57-Y59 HydrophobicContact CB-CD2 3.94Å; K57-Y59 HydrophobicContact CB-CE2 4.15Å; K57-Y59 WeakPolarHBondContact O-CD2 3.46Å; K57-Y59 WeakPolarHBondContact O-CE2 3.16Å; Y59-I79 HydrophobicContact CD1-CG2 3.96Å; Y59-I79 HydrophobicContact CG-CG2 4.34Å; Y59-K82 HydrophobicContact CD1-CG 4.49Å; Y59-K82 HydrophobicContact CE1-CD 4.45Å; Y59-K82 HydrophobicContact CE1-CG 4.33Å; Y59-K82 VanDerWaalsContact CZ-NZ 3.27Å; Y59-K82 PolarHBondContact OH-NZ 3.48Å; Y59-P111 HydrophobicContact CE2-CB 4.1Å; Y59-P111 HydrophobicContact CE2-CG 4.31Å; Y59-F117 AromaticContact CD1-CD1 3.79Å; Y59-F117 HydrophobicContact CD1-CD1 3.79Å; Y59-F117 HydrophobicContact CD1-CE1 4.43Å; Y59-F117 AromaticContact CD2-CD1 3.39Å; Y59-F117 HydrophobicContact CD2-CD1 3.39Å; Y59-F117 AromaticContact CD2-CE1 3.54Å; Y59-F117 HydrophobicContact CD2-CE1 3.54Å; Y59-F117 HydrophobicContact CD2-CG 4.27Å; Y59-F117 HydrophobicContact CE1-CB 4.11Å; Y59-F117 AromaticContact CE1-CD1 3.8Å; Y59-F117 HydrophobicContact CE1-CD1 3.8Å; Y59-F117 HydrophobicContact CE1-CG 4.37Å; Y59-F117 HydrophobicContact CE2-CB 4.19Å; Y59-F117 AromaticContact CE2-CD1 3.42Å; Y59-F117 HydrophobicContact CE2-CD1 3.42Å; Y59-F117 VanDerWaalsContact CE2-CD1 3.42Å; Y59-F117 AromaticContact CE2-CE1 3.98Å; Y59-F117 HydrophobicContact CE2-CE1 3.98Å; Y59-F117 AromaticContact CE2-CG 3.87Å; Y59-F117 HydrophobicContact CE2-CG 3.87Å; Y59-F117 AromaticContact CG-CD1 3.61Å; Y59-F117 HydrophobicContact CG-CD1 3.61Å; Y59-F117 AromaticContact CG-CE1 3.82Å; Y59-F117 HydrophobicContact CG-CE1 3.82Å; Y59-F117 AromaticContact CZ-CD1 3.64Å; Y59-F117 AromaticContact CZ-CG 3.92Å; Y59-A120 HydrophobicContact CD1-CB 4.08Å; Y59-A120 HydrophobicContact CE1-CB 4.07Å; Y59-D121 WeakPolarHBondContact CE1-OD1 3.38Å; Y59-D121 VanDerWaalsContact OH-CG 3.22Å; Y59-D121 PolarHBondContact OH-OD1 2.75Å; Y59-D121 VanDerWaalsContact OH-OD1 3.13Å; Y59-D121 PolarHBondContact OH-OD2 3.43Å | ||
| 60 | K | 97.2 | Very high | 97.6 | Very high | 163 Ų | 163 | 55.7 Ų | 55.7 | 71% | 0.709 | 29% | 0.29 | S | S | * | . | trans | -82.8 | 143.7 | 170.7 | -65.3 | 180 | -179.1 | 177.1 | 0 | 108.9 | L80 | K60-L80 HydrophobicContact CB-CB 4.19Å; K60-L80 HydrophobicContact CB-CD1 4.03Å; K60-L80 PolarHBondContact O-N 3.33Å | ||
| 61 | F | 97.8 | Very high | 97.7 | Very high | 70 Ų | 70 | 55.7 Ų | 55.7 | 31% | 0.307 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 160.7 | 179.9 | 70.2 | -87.2 | 0 | 0 | 0 | 112 | T51 I54 E63 R78 | T51-F61 HydrophobicContact CG2-CD2 3.47Å; T51-F61 VanDerWaalsContact CG2-CD2 3.47Å; T51-F61 HydrophobicContact CG2-CE2 3.36Å; T51-F61 HydrophobicContact CG2-CG 4.27Å; T51-F61 HydrophobicContact CG2-CZ 4.07Å; T51-F61 WeakPolarHBondContact O-CE1 3.4Å; I54-F61 HydrophobicContact CB-CD1 4.47Å; I54-F61 HydrophobicContact CG2-CB 3.87Å; I54-F61 HydrophobicContact CG2-CD1 4.14Å; I54-F61 HydrophobicContact CG2-CG 4.34Å; F61-E63 HydrophobicContact CD2-CG 4.39Å; F61-E63 HydrophobicContact CE2-CG 4.26Å; F61-R78 CarbonylContact C-O 3.36Å; F61-R78 WeakPolarHBondContact CA-O 3.42Å; F61-R78 WeakPolarHBondContact CB-O 3.27Å |
| 62 | E | 98.3 | Very high | 97.8 | Very high | 65 Ų | 65 | 55.5 Ų | 55.5 | 30% | 0.304 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 145.1 | 168.2 | -69.3 | 159.9 | -176.2 | 0 | 0 | 109.2 | H64 R78 L80 | E62-H64 VanDerWaalsContact CB-NE2 3.25Å; E62-H64 WeakPolarHBondContact CB-NE2 3.49Å; E62-H64 IonicContact OE2-CE1 3.23Å; E62-H64 IonicContact OE2-NE2 3.11Å; E62-H64 PolarHBondContact OE2-NE2 3.06Å; E62-R78 HydrophobicContact CB-CB 4.21Å; E62-R78 PolarHBondContact N-O 3.38Å; E62-R78 PolarHBondContact O-N 3.06Å; E62-R78 IonicContact OE1-NH1 3.73Å; E62-R78 WeakPolarHBondContact OE2-CD 3.36Å; E62-R78 IonicContact OE2-CZ 4Å; E62-R78 IonicContact OE2-NE 3.25Å; E62-R78 IonicContact OE2-NH1 3.32Å; E62-R78 PolarHBondContact OE2-NH1 2.85Å; E62-L80 HydrophobicContact CG-CD1 4.01Å |
| 63 | E | 98.3 | Very high | 97.9 | Very high | 82 Ų | 82 | 53.1 Ų | 53.1 | 38% | 0.383 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 132.5 | 169.6 | -64.1 | -173.4 | 136.7 | 0 | 0 | 109.1 | T51 F61 Y65 I77 | T51-E63 HydrophobicContact CG2-CG 3.72Å; T51-E63 VanDerWaalsContact CG2-OE1 3.25Å; T51-E63 WeakPolarHBondContact CG2-OE1 3.5Å; F61-E63 HydrophobicContact CD2-CG 4.39Å; F61-E63 HydrophobicContact CE2-CG 4.26Å; E63-Y65 HydrophobicContact CB-CE2 4.43Å; E63-I77 HydrophobicContact CB-CD1 4.4Å; E63-I77 HydrophobicContact CG-CD1 3.76Å |
| 64 | H | 98.7 | Very high | 98.1 | Very high | 15 Ų | 15 | 53.1 Ų | 53.1 | 7% | 0.069 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 137.1 | 177.6 | -59.9 | -101.6 | 0 | 0 | 0 | 110 | E62 C75 I76 W127 Y169 H173 | E62-H64 VanDerWaalsContact CB-NE2 3.25Å; E62-H64 WeakPolarHBondContact CB-NE2 3.49Å; E62-H64 IonicContact OE2-CE1 3.23Å; E62-H64 IonicContact OE2-NE2 3.11Å; E62-H64 PolarHBondContact OE2-NE2 3.06Å; H64-C75 WeakPolarHBondContact O-CA 3.43Å; H64-I76 HydrophobicContact CB-CD1 4.42Å; H64-I76 HydrophobicContact CB-CG1 3.82Å; H64-I76 PolarHBondContact N-O 3.41Å; H64-I76 PolarHBondContact O-N 3.46Å; H64-W127 HydrophobicContact CB-CZ3 4.2Å; H64-W127 AromaticContact CD2-CH2 3.65Å; H64-W127 AromaticContact CD2-CZ3 3.42Å; H64-W127 VanDerWaalsContact CD2-CZ3 3.42Å; H64-W127 WeakPolarHBondContact CD2-CZ3 3.45Å; H64-W127 AromaticContact CE1-CH2 3.71Å; H64-W127 AromaticContact CG-CH2 3.95Å; H64-W127 AromaticContact CG-CZ3 3.71Å; H64-W127 AromaticContact ND1-CH2 3.98Å; H64-W127 AromaticContact NE2-CH2 3.48Å; H64-W127 WeakPolarHBondContact NE2-CH2 3.34Å; H64-W127 AromaticContact NE2-CZ3 3.78Å; H64-Y169 HydrophobicContact CB-CE1 3.63Å; H64-Y169 AromaticContact CG-CE1 3.75Å; H64-Y169 AromaticContact ND1-CE1 3.48Å; H64-Y169 WeakPolarHBondContact ND1-CE1 3.48Å; H64-Y169 AromaticContact ND1-CZ 3.63Å; H64-Y169 PolarHBondContact ND1-OH 3.48Å; H64-H173 AromaticContact CE1-CE1 3.56Å; H64-H173 AromaticContact CE1-NE2 3.55Å |
| 65 | Y | 98.6 | Very high | 98.1 | Very high | 130 Ų | 130 | 53.3 Ų | 53.3 | 51% | 0.51 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 117 | 178.6 | -64.4 | -90.4 | 0 | 0 | 0 | 109.2 | E63 I73 L74 C75 | E63-Y65 HydrophobicContact CB-CE2 4.43Å; Y65-I73 HydrophobicContact CD1-CG2 4.1Å; Y65-L74 WeakPolarHBondContact CA-O 3.49Å; Y65-C75 HydrophobicContact CD1-CB 4.2Å; Y65-C75 HydrophobicContact CE1-CB 3.97Å |
| 66 | V | 98.8 | Very high | 98.1 | Very high | 7 Ų | 7 | 50.1 Ų | 50.1 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 123.4 | -176.5 | -176.5 | 0 | 0 | 0 | 0 | 109.4 | I73 L74 I76 A165 T166 Y169 | V66-I73 WeakPolarHBondContact O-CA 3.29Å; V66-L74 PolarHBondContact N-O 3.12Å; V66-L74 PolarHBondContact O-N 2.98Å; V66-I76 HydrophobicContact CG2-CD1 3.7Å; V66-I76 HydrophobicContact CG2-CG1 4.12Å; V66-A165 HydrophobicContact CG1-CB 3.9Å; V66-T166 HydrophobicContact CB-CG2 4.29Å; V66-T166 HydrophobicContact CG1-CG2 4.3Å; V66-T166 HydrophobicContact CG2-CG2 4.44Å; V66-Y169 HydrophobicContact CG1-CG 4.5Å; V66-Y169 HydrophobicContact CG2-CD1 3.82Å; V66-Y169 HydrophobicContact CG2-CD2 3.86Å; V66-Y169 HydrophobicContact CG2-CE1 4.36Å; V66-Y169 HydrophobicContact CG2-CE2 4.37Å; V66-Y169 HydrophobicContact CG2-CG 3.55Å |
| 67 | T | 98.7 | Very high | 98.3 | Very high | 67 Ų | 67 | 46.8 Ų | 46.8 | 41% | 0.411 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 124.7 | 175.9 | -53.7 | 0 | 0 | 0 | 0 | 110.3 | F72 Q141 | T67-F72 CarbonylContact C-O 3.49Å; T67-F72 VanDerWaalsContact CA-O 3.26Å; T67-F72 WeakPolarHBondContact CA-O 3.42Å; T67-Q141 VanDerWaalsContact CG2-CD 3.45Å; T67-Q141 HydrophobicContact CG2-CG 3.9Å |
| 68 | T | 98.7 | Very high | 98.3 | Very high | 4 Ų | 4 | 47 Ų | 47 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | trans | -77.3 | 162.2 | 173.9 | 65.5 | 0 | 0 | 0 | 0 | 111.5 | D70 G71 F72 L74 A165 | T68-D70 VanDerWaalsContact CB-OD1 3.3Å; T68-D70 WeakPolarHBondContact CB-OD1 3.37Å; T68-D70 PolarHBondContact O-N 3.31Å; T68-D70 PolarHBondContact OG1-OD1 2.9Å; T68-G71 PolarHBondContact O-N 3.03Å; T68-G71 PolarHBondContact OG1-N 3.04Å; T68-F72 HydrophobicContact CG2-CB 4.18Å; T68-F72 PolarHBondContact N-O 3.41Å; T68-F72 WeakPolarHBondContact OG1-CB 3.29Å; T68-F72 PolarHBondContact OG1-N 3Å; T68-F72 PolarHBondContact OG1-O 3.12Å; T68-L74 HydrophobicContact CG2-CD1 3.6Å; T68-L74 HydrophobicContact CG2-CD2 4.5Å; T68-L74 HydrophobicContact CG2-CG 3.95Å; T68-A165 HydrophobicContact CG2-CB 4.22Å | ||
| 69 | E | 98.3 | Very high | 98.4 | Very high | 172 Ų | 172 | 44.1 Ų | 44.1 | 80% | 0.804 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -34 | 178.3 | -171.4 | -175.3 | 155.7 | 0 | 0 | 112.7 | G71 Y161 | E69-G71 VanDerWaalsContact C-N 3.33Å; E69-Y161 HydrophobicContact CB-CD1 4.02Å; E69-Y161 HydrophobicContact CB-CE1 4.26Å |
| 70 | D | 98.2 | Very high | 98.3 | Very high | 50 Ų | 50 | 45.6 Ų | 45.6 | 27% | 0.267 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 1.3 | 178.3 | 68.5 | -31.6 | 0 | 0 | 0 | 114.2 | T68 R132 H140 Y161 | T68-D70 VanDerWaalsContact CB-OD1 3.3Å; T68-D70 WeakPolarHBondContact CB-OD1 3.37Å; T68-D70 PolarHBondContact O-N 3.31Å; T68-D70 PolarHBondContact OG1-OD1 2.9Å; D70-R132 IonicContact OD1-CZ 3.35Å; D70-R132 IonicContact OD1-NH1 3.89Å; D70-R132 IonicContact OD1-NH2 3.77Å; D70-R132 PolarHBondContact OD1-NH2 3.42Å; D70-R132 IonicContact OD2-CZ 2.75Å; D70-R132 IonicContact OD2-NH1 2.84Å; D70-R132 PolarHBondContact OD2-NH1 2.86Å; D70-R132 IonicContact OD2-NH2 3.79Å; D70-R132 PolarHBondContact OD2-NH2 2.91Å; D70-H140 PolarHBondContact O-CE1 3.28Å; D70-H140 VanDerWaalsContact O-CE1 3.31Å; D70-H140 PolarHBondContact O-NE2 3.42Å; D70-Y161 HydrophobicContact CB-CD2 4.29Å; D70-Y161 HydrophobicContact CB-CE2 4.23Å; D70-Y161 HydrophobicContact CB-CG 4.5Å |
| 71 | G | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.186 | C | C | . | . | S | Bend | trans | 102.3 | 2.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | T68 E69 H140 Q141 | T68-G71 PolarHBondContact O-N 3.03Å; T68-G71 PolarHBondContact OG1-N 3.04Å; E69-G71 VanDerWaalsContact C-N 3.33Å; G71-H140 CarbonylContact O-C 3.56Å; G71-H140 VanDerWaalsContact O-CA 3.28Å; G71-H140 WeakPolarHBondContact O-CA 3.47Å; G71-H140 PolarHBondContact O-CD2 3.14Å; G71-Q141 PolarHBondContact O-N 2.97Å |
| 72 | F | 98.7 | Very high | 97.9 | Very high | 8 Ų | 8 | 40.9 Ų | 40.9 | 4% | 0.035 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 144 | 171.3 | -79.6 | -93.1 | 0 | 0 | 0 | 111 | T67 T68 L74 R132 H140 F150 F153 | T67-F72 CarbonylContact C-O 3.49Å; T67-F72 VanDerWaalsContact CA-O 3.26Å; T67-F72 WeakPolarHBondContact CA-O 3.42Å; T68-F72 HydrophobicContact CG2-CB 4.18Å; T68-F72 PolarHBondContact N-O 3.41Å; T68-F72 WeakPolarHBondContact OG1-CB 3.29Å; T68-F72 PolarHBondContact OG1-N 3Å; T68-F72 PolarHBondContact OG1-O 3.12Å; F72-L74 HydrophobicContact CB-CD2 4.1Å; F72-R132 HydrophobicContact CB-CB 4.46Å; F72-R132 HydrophobicContact CD1-CB 3.54Å; F72-R132 VanDerWaalsContact CD2-NH1 3.31Å; F72-R132 HydrophobicContact CE1-CB 3.83Å; F72-R132 VanDerWaalsContact CE2-NH1 3.26Å; F72-R132 HydrophobicContact CG-CB 3.93Å; F72-R132 HydrophobicContact CZ-CB 4.46Å; F72-H140 AromaticContact CD2-CD2 3.47Å; F72-H140 VanDerWaalsContact CD2-CD2 3.47Å; F72-H140 WeakPolarHBondContact CD2-CD2 3.2Å; F72-H140 AromaticContact CD2-NE2 3.84Å; F72-H140 AromaticContact CE2-CD2 3.65Å; F72-H140 AromaticContact CE2-NE2 3.93Å; F72-H140 AromaticContact CG-CD2 3.68Å; F72-H140 PolarHBondContact N-CD2 2.62Å; F72-F150 HydrophobicContact CD1-CZ 4.3Å; F72-F150 HydrophobicContact CE1-CD1 4.39Å; F72-F150 HydrophobicContact CE1-CD2 4.44Å; F72-F150 AromaticContact CE1-CE1 3.96Å; F72-F150 HydrophobicContact CE1-CE1 3.96Å; F72-F150 HydrophobicContact CE1-CE2 4.03Å; F72-F150 AromaticContact CE1-CZ 3.73Å; F72-F150 HydrophobicContact CE1-CZ 3.73Å; F72-F150 VanDerWaalsContact CZ-O 3.3Å; F72-F150 WeakPolarHBondContact CZ-O 3.41Å; F72-F153 HydrophobicContact CE1-CD1 4.36Å; F72-F153 HydrophobicContact CE1-CE1 4.27Å; F72-F153 AromaticContact CZ-CD1 3.82Å; F72-F153 HydrophobicContact CZ-CD1 3.82Å; F72-F153 HydrophobicContact CZ-CE1 4.16Å |
| 73 | I | 98.8 | Very high | 97.5 | Very high | 42 Ų | 42 | 39.3 Ų | 39.3 | 22% | 0.215 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 108 | 175.5 | -55 | 171.7 | 0 | 0 | 0 | 107.8 | Y65 V66 N139 Q141 | Y65-I73 HydrophobicContact CD1-CG2 4.1Å; V66-I73 WeakPolarHBondContact O-CA 3.29Å; I73-N139 HydrophobicContact CB-CB 4.02Å; I73-N139 HydrophobicContact CD1-CB 4.47Å; I73-N139 PolarHBondContact N-O 3.47Å; I73-Q141 HydrophobicContact CD1-CG 4.43Å; I73-Q141 HydrophobicContact CG1-CG 4.43Å |
| 74 | L | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 126.7 | -175.8 | -48.4 | 178 | 0 | 0 | 0 | 109.8 | Y65 V66 T68 F72 R132 S137 D162 T166 | Y65-L74 WeakPolarHBondContact CA-O 3.49Å; V66-L74 PolarHBondContact N-O 3.12Å; V66-L74 PolarHBondContact O-N 2.98Å; T68-L74 HydrophobicContact CG2-CD1 3.6Å; T68-L74 HydrophobicContact CG2-CD2 4.5Å; T68-L74 HydrophobicContact CG2-CG 3.95Å; F72-L74 HydrophobicContact CB-CD2 4.1Å; L74-R132 HydrophobicContact CD2-CB 4.03Å; L74-S137 WeakPolarHBondContact CA-OG 3.42Å; L74-D162 HydrophobicContact CD1-CB 3.59Å; L74-T166 HydrophobicContact CB-CG2 4.5Å; L74-T166 HydrophobicContact CD1-CG2 3.77Å |
| 75 | C | 98.6 | Very high | 94.8 | Very high | 4 Ų | 4 | 49 Ų | 49 | 3% | 0.027 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 111.4 | 170.8 | -175.4 | 0 | 0 | 0 | 0 | 109.5 | H64 Y65 N130 Y136 S137 | H64-C75 WeakPolarHBondContact O-CA 3.43Å; Y65-C75 HydrophobicContact CD1-CB 4.2Å; Y65-C75 HydrophobicContact CE1-CB 3.97Å; C75-N130 WeakPolarHBondContact O-CB 3.49Å; C75-N130 PolarHBondContact O-ND2 2.82Å; C75-Y136 WeakPolarHBondContact CB-O 3.41Å; C75-S137 PolarHBondContact N-OG 3.38Å |
| 76 | I | 98.7 | Very high | 93 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 145.9 | 172.2 | 66.6 | 179.1 | 0 | 0 | 0 | 109.6 | H64 V66 W127 L128 T166 Y169 V170 | H64-I76 HydrophobicContact CB-CD1 4.42Å; H64-I76 HydrophobicContact CB-CG1 3.82Å; H64-I76 PolarHBondContact N-O 3.41Å; H64-I76 PolarHBondContact O-N 3.46Å; V66-I76 HydrophobicContact CG2-CD1 3.7Å; V66-I76 HydrophobicContact CG2-CG1 4.12Å; I76-W127 HydrophobicContact CD1-CE3 3.72Å; I76-W127 HydrophobicContact CD1-CZ3 3.75Å; I76-W127 HydrophobicContact CG1-CE3 4.11Å; I76-W127 HydrophobicContact CG1-CZ3 4.09Å; I76-L128 WeakPolarHBondContact CA-O 3.3Å; I76-L128 WeakPolarHBondContact CB-O 3.29Å; I76-T166 HydrophobicContact CG2-CG2 3.7Å; I76-Y169 HydrophobicContact CD1-CD1 4.05Å; I76-V170 HydrophobicContact CD1-CG2 3.91Å |
| 77 | I | 98.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 131.9 | -174.4 | -52.4 | -62.6 | 0 | 0 | 0 | 109.1 | I50 T51 I54 E63 W127 L128 | I50-I77 HydrophobicContact CD1-CG1 4.38Å; I50-I77 HydrophobicContact CG2-CD1 4.16Å; I50-I77 HydrophobicContact CG2-CG1 3.97Å; T51-I77 HydrophobicContact CG2-CD1 3.91Å; I54-I77 HydrophobicContact CD1-CG2 3.7Å; E63-I77 HydrophobicContact CB-CD1 4.4Å; E63-I77 HydrophobicContact CG-CD1 3.76Å; I77-W127 CarbonylContact O-C 3.5Å; I77-W127 WeakPolarHBondContact O-CA 3.39Å; I77-L128 HydrophobicContact CB-CB 4.26Å; I77-L128 HydrophobicContact CB-CD1 4.35Å; I77-L128 HydrophobicContact CB-CG 4.47Å; I77-L128 HydrophobicContact CG2-CD1 4.48Å; I77-L128 PolarHBondContact N-O 3.4Å; I77-L128 PolarHBondContact O-N 3.03Å |
| 78 | R | 98.5 | Very high | 89.5 | Confident | 36 Ų | 36 | 50.6 Ų | 50.6 | 14% | 0.136 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 126.6 | 172.8 | -172.9 | -167.6 | -171.2 | -172.1 | 4.8 | 109.4 | F61 E62 D125 V126 W127 | F61-R78 CarbonylContact C-O 3.36Å; F61-R78 WeakPolarHBondContact CA-O 3.42Å; F61-R78 WeakPolarHBondContact CB-O 3.27Å; E62-R78 HydrophobicContact CB-CB 4.21Å; E62-R78 PolarHBondContact N-O 3.38Å; E62-R78 PolarHBondContact O-N 3.06Å; E62-R78 IonicContact OE1-NH1 3.73Å; E62-R78 WeakPolarHBondContact OE2-CD 3.36Å; E62-R78 IonicContact OE2-CZ 4Å; E62-R78 IonicContact OE2-NE 3.25Å; E62-R78 IonicContact OE2-NH1 3.32Å; E62-R78 PolarHBondContact OE2-NH1 2.85Å; R78-D125 WeakPolarHBondContact CG-OD1 3.23Å; R78-D125 IonicContact CZ-OD1 2.88Å; R78-D125 IonicContact CZ-OD2 3.62Å; R78-D125 IonicContact NE-OD1 2.71Å; R78-D125 PolarHBondContact NE-OD1 2.86Å; R78-D125 IonicContact NE-OD2 3.51Å; R78-D125 PolarHBondContact NE-OD2 3.26Å; R78-D125 VanDerWaalsContact NH2-CG 3.35Å; R78-D125 IonicContact NH2-OD1 3.63Å; R78-D125 PolarHBondContact NH2-OD1 2.73Å; R78-D125 IonicContact NH2-OD2 3.07Å; R78-D125 PolarHBondContact NH2-OD2 3.12Å; R78-V126 CarbonylContact C-O 3.56Å; R78-V126 VanDerWaalsContact CA-O 3.28Å; R78-V126 WeakPolarHBondContact CA-O 3.41Å; R78-W127 HydrophobicContact CB-CD2 4.01Å; R78-W127 HydrophobicContact CB-CE3 3.99Å; R78-W127 HydrophobicContact CB-CH2 4.24Å; R78-W127 HydrophobicContact CB-CZ2 4.22Å; R78-W127 HydrophobicContact CB-CZ3 4.12Å; R78-W127 VanDerWaalsContact CD-CZ2 3.43Å; R78-W127 HydrophobicContact CG-CD2 3.94Å; R78-W127 HydrophobicContact CG-CE3 4.4Å; R78-W127 HydrophobicContact CG-CG 4.4Å; R78-W127 HydrophobicContact CG-CH2 4.37Å; R78-W127 HydrophobicContact CG-CZ2 3.86Å |
| 79 | I | 98.3 | Very high | 88 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 117.1 | 167.5 | -55 | 177.5 | 0 | 0 | 0 | 107.2 | I54 Y59 V107 F117 A120 V126 L128 | I54-I79 HydrophobicContact CD1-CD1 4.06Å; I54-I79 HydrophobicContact CD1-CG1 3.97Å; I54-I79 HydrophobicContact CG1-CD1 4.2Å; I54-I79 HydrophobicContact CG1-CG1 4.44Å; I54-I79 HydrophobicContact CG2-CG1 4.27Å; Y59-I79 HydrophobicContact CD1-CG2 3.96Å; Y59-I79 HydrophobicContact CG-CG2 4.34Å; I79-V107 HydrophobicContact CD1-CG1 3.78Å; I79-F117 HydrophobicContact CD1-CD1 4.31Å; I79-F117 HydrophobicContact CD1-CE1 4.18Å; I79-A120 HydrophobicContact CG2-CB 3.71Å; I79-V126 HydrophobicContact CB-CB 4.24Å; I79-V126 PolarHBondContact N-O 3.48Å; I79-V126 PolarHBondContact O-N 2.83Å; I79-L128 HydrophobicContact CD1-CD1 4.01Å; I79-L128 HydrophobicContact CG1-CD1 4.33Å |
| 80 | L | 96 | Very high | 87.3 | Confident | 43 Ų | 43 | 53.5 Ų | 53.5 | 23% | 0.225 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 144.2 | -176.8 | -73.1 | 83.9 | 0 | 0 | 0 | 110.5 | K60 E62 | K60-L80 HydrophobicContact CB-CB 4.19Å; K60-L80 HydrophobicContact CB-CD1 4.03Å; K60-L80 PolarHBondContact O-N 3.33Å; E62-L80 HydrophobicContact CG-CD1 4.01Å |
| 81 | P | 94.9 | Very high | 87.2 | Confident | 23 Ų | 23 | 53.3 Ų | 53.3 | 15% | 0.149 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 144.6 | 175.5 | 24.4 | -32.5 | 0 | 0 | 0 | 110.5 | C83 Q90 Y124 | P81-C83 PolarHBondContact O-N 3.19Å; P81-Q90 HydrophobicContact CB-CG 4.17Å; P81-Q90 HydrophobicContact CG-CB 4.4Å; P81-Q90 HydrophobicContact CG-CG 3.88Å; P81-Y124 WeakPolarHBondContact CB-O 3.36Å |
| 82 | K | 91.5 | Very high | 87.1 | Confident | 110 Ų | 110 | 53.4 Ų | 53.4 | 48% | 0.478 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -74 | -15.9 | 173.5 | -77.2 | -140.6 | -178.5 | 126.5 | 0 | 113.7 | Y59 A120 D121 | Y59-K82 HydrophobicContact CD1-CG 4.49Å; Y59-K82 HydrophobicContact CE1-CD 4.45Å; Y59-K82 HydrophobicContact CE1-CG 4.33Å; Y59-K82 VanDerWaalsContact CZ-NZ 3.27Å; Y59-K82 PolarHBondContact OH-NZ 3.48Å; K82-A120 PolarHBondContact N-O 3.27Å; K82-D121 VanDerWaalsContact CD-OD1 3.23Å; K82-D121 WeakPolarHBondContact CD-OD1 3.3Å; K82-D121 VanDerWaalsContact CE-OD1 3.3Å; K82-D121 WeakPolarHBondContact CE-OD1 3.4Å; K82-D121 IonicContact NZ-OD1 3.98Å; K82-D121 PolarHBondContact NZ-OD1 3.08Å |
| 83 | C | 89 | Confident | 87.1 | Confident | 32 Ų | 32 | 53 Ų | 53 | 22% | 0.216 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -85.5 | 141.1 | -178.4 | -49.6 | 0 | 0 | 0 | 0 | 110.5 | P81 C123 | P81-C83 PolarHBondContact O-N 3.19Å; C83-C123 HydrophobicContact CB-CB 3.61Å; C83-C123 WeakPolarHBondContact CB-SG 3.48Å; C83-C123 WeakPolarHBondContact SG-CA 3.49Å; C83-C123 WeakPolarHBondContact SG-CB 3.34Å; C83-C123 CovalentContact SG-SG 2.02Å; C83-C123 PolarHBondContact SG-SG 3.07Å |
| 84 | N | 76.2 | Confident | 87.1 | Confident | 131 Ų | 131 | 51 Ų | 51 | 70% | 0.701 | 28% | 0.276 | S | S | * | . | trans | -65.1 | 147.6 | 179.9 | -69.6 | -25.8 | 0 | 0 | 0 | 111.4 | A86 S87 | N84-A86 PolarHBondContact O-N 3.28Å; N84-S87 WeakPolarHBondContact O-CB 3.3Å; N84-S87 PolarHBondContact O-N 3.01Å; N84-S87 PolarHBondContact O-OG 3.28Å | ||
| 85 | E | 64.2 | Low | 87.1 | Confident | 170 Ų | 170 | 51 Ų | 51 | 79% | 0.794 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -53.9 | -22.1 | 176.3 | -66.8 | 179.4 | 174.9 | 0 | 0 | 114.1 | S87 G88 | E85-S87 PolarHBondContact O-N 2.98Å; E85-G88 PolarHBondContact O-N 3.37Å; E85-G88 VanDerWaalsContact O-N 3.12Å |
| 86 | A | 60.3 | Low | 87.2 | Confident | 103 Ų | 103 | 51.1 Ų | 51.1 | 85% | 0.851 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -58.8 | -14.3 | 175 | 0 | 0 | 0 | 0 | 0 | 114 | N84 G88 | N84-A86 PolarHBondContact O-N 3.28Å; A86-G88 PolarHBondContact O-N 3.08Å |
| 87 | S | 61.7 | Low | 87.2 | Confident | 94 Ų | 94 | 51.3 Ų | 51.3 | 66% | 0.657 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -77.9 | -0.1 | 176.3 | -59.8 | 0 | 0 | 0 | 0 | 114.6 | N84 E85 | N84-S87 WeakPolarHBondContact O-CB 3.3Å; N84-S87 PolarHBondContact O-N 3.01Å; N84-S87 PolarHBondContact O-OG 3.28Å; E85-S87 PolarHBondContact O-N 2.98Å |
| 88 | G | 62.8 | Low | 87.1 | Confident | 41 Ų | 41 | 51.3 Ų | 51.3 | 42% | 0.423 | 28% | 0.278 | S | S | . | . | trans | 94.6 | 175.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E85 A86 Q90 | E85-G88 PolarHBondContact O-N 3.37Å; E85-G88 VanDerWaalsContact O-N 3.12Å; A86-G88 PolarHBondContact O-N 3.08Å; G88-Q90 PolarHBondContact O-N 3.35Å; G88-Q90 VanDerWaalsContact O-N 3.08Å | ||
| 89 | R | 67.7 | Low | 87 | Confident | 191 Ų | 191 | 50.3 Ų | 50.3 | 72% | 0.721 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -57.4 | 114.9 | 178.3 | -87.8 | -175.9 | 170.9 | 150.4 | -4 | 109.7 | D175 | R89-D175 IonicContact NH2-OD2 2.74Š|
| 90 | Q | 84.5 | Confident | 86.9 | Confident | 46 Ų | 46 | 50.4 Ų | 50.4 | 22% | 0.215 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 141.7 | 178.2 | -63.5 | 94.4 | -13.2 | 0 | 0 | 110.5 | P81 G88 V92 C123 D125 | P81-Q90 HydrophobicContact CB-CG 4.17Å; P81-Q90 HydrophobicContact CG-CB 4.4Å; P81-Q90 HydrophobicContact CG-CG 3.88Å; G88-Q90 PolarHBondContact O-N 3.35Å; G88-Q90 VanDerWaalsContact O-N 3.08Å; Q90-V92 PolarHBondContact O-N 2.57Å; Q90-C123 WeakPolarHBondContact CB-O 3.39Å; Q90-C123 WeakPolarHBondContact CG-O 3.36Å; Q90-D125 HydrophobicContact CB-CB 4.27Å |
| 91 | K | 94.3 | Very high | 86.8 | Confident | 45 Ų | 45 | 48.4 Ų | 48.4 | 20% | 0.196 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 130.3 | 178.8 | -177.7 | 164.6 | -176.9 | 165.2 | 0 | 110.4 | Y124 D125 S180 D206 L408 V411 | K91-Y124 HydrophobicContact CB-CD1 3.96Å; K91-Y124 HydrophobicContact CB-CE1 4.12Å; K91-Y124 HydrophobicContact CD-CE1 4.14Å; K91-Y124 HydrophobicContact CG-CD1 4.27Å; K91-Y124 HydrophobicContact CG-CE1 4.27Å; K91-D125 PolarHBondContact O-N 3.25Å; K91-S180 VanDerWaalsContact CE-OG 3.24Å; K91-S180 WeakPolarHBondContact CE-OG 3.35Å; K91-D206 WeakPolarHBondContact CE-OD2 3.4Å; K91-D206 IonicContact NZ-OD2 3.4Å; K91-D206 PolarHBondContact NZ-OD2 3.45Å; K91-L408 PolarHBondContact NZ-O 2.91Å; K91-V411 PolarHBondContact NZ-O 3.18Å |
| 92 | V | 97.8 | Very high | 86.9 | Confident | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.012 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 130.6 | -179.3 | 179.7 | 0 | 0 | 0 | 0 | 110.4 | Q90 D125 V170 T174 A176 L179 S180 | Q90-V92 PolarHBondContact O-N 2.57Å; V92-D125 WeakPolarHBondContact CA-O 3.41Å; V92-D125 HydrophobicContact CG2-CB 4.27Å; V92-V170 HydrophobicContact CG1-CG1 3.57Å; V92-T174 HydrophobicContact CG2-CG2 4.06Å; V92-A176 HydrophobicContact CG2-CB 3.75Å; V92-L179 HydrophobicContact CB-CB 3.81Å; V92-L179 HydrophobicContact CG1-CB 3.76Å; V92-L179 HydrophobicContact CG1-CD2 4.28Å; V92-L179 WeakPolarHBondContact O-CA 3.49Å; V92-S180 PolarHBondContact O-N 2.95Å |
| 93 | V | 98.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 121.9 | 174 | -177 | 0 | 0 | 0 | 0 | 109.3 | L95 L119 Y124 D125 W127 S180 I182 L408 | V93-L95 HydrophobicContact CG1-CD2 3.8Å; V93-L119 HydrophobicContact CB-CD1 4.46Å; V93-L119 HydrophobicContact CG1-CD1 3.9Å; V93-Y124 HydrophobicContact CG2-CD1 3.51Å; V93-Y124 HydrophobicContact CG2-CE1 4.21Å; V93-Y124 HydrophobicContact CG2-CG 3.95Å; V93-D125 PolarHBondContact N-O 3.18Å; V93-W127 PolarHBondContact O-N 2.89Å; V93-S180 WeakPolarHBondContact CA-O 3.41Å; V93-I182 HydrophobicContact CG1-CD1 3.81Å; V93-I182 HydrophobicContact CG1-CG1 3.91Å; V93-L408 HydrophobicContact CG2-CD1 4.24Å; V93-L408 HydrophobicContact CG2-CD2 4.28Å |
| 94 | F | 98.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 125.7 | 177.5 | -168.1 | -83.8 | 0 | 0 | 0 | 110.7 | Q96 W127 L163 L167 V170 L179 S180 Y181 I182 | F94-Q96 HydrophobicContact CE1-CB 4.18Å; F94-W127 CarbonylContact C-O 3.55Å; F94-W127 WeakPolarHBondContact CA-O 3.43Å; F94-W127 HydrophobicContact CD2-CB 3.72Å; F94-W127 HydrophobicContact CE2-CB 4.33Å; F94-W127 HydrophobicContact CG-CB 4.5Å; F94-L163 HydrophobicContact CE1-CD1 4.12Å; F94-L167 HydrophobicContact CB-CD2 4.12Å; F94-L167 HydrophobicContact CD1-CD2 4.05Å; F94-L167 HydrophobicContact CD2-CD2 3.92Å; F94-L167 HydrophobicContact CE1-CD2 4.43Å; F94-L167 HydrophobicContact CE2-CD2 4.32Å; F94-L167 HydrophobicContact CG-CD2 3.76Å; F94-V170 HydrophobicContact CD2-CG2 4.25Å; F94-V170 HydrophobicContact CE2-CG2 4.31Å; F94-L179 HydrophobicContact CB-CD1 4.09Å; F94-S180 PolarHBondContact N-O 3.35Å; F94-Y181 HydrophobicContact CB-CD2 4.32Å; F94-Y181 AromaticContact CD1-CD2 3.7Å; F94-Y181 HydrophobicContact CD1-CD2 3.7Å; F94-Y181 AromaticContact CD1-CE2 3.56Å; F94-Y181 HydrophobicContact CD1-CE2 3.56Å; F94-Y181 AromaticContact CE1-CE2 3.96Å; F94-Y181 HydrophobicContact CE1-CE2 3.96Å; F94-Y181 HydrophobicContact CG-CD2 4.39Å; F94-I182 PolarHBondContact O-N 2.72Å |
| 95 | L | 99 | Very high | 88.5 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 121.3 | -178.4 | -52.5 | -174 | 0 | 0 | 0 | 110.6 | V93 W106 L115 L119 V126 W127 L128 G129 I182 | V93-L95 HydrophobicContact CG1-CD2 3.8Å; L95-W106 HydrophobicContact CB-CD2 3.81Å; L95-W106 HydrophobicContact CB-CG 3.92Å; L95-W106 HydrophobicContact CB-CZ2 4.07Å; L95-W106 HydrophobicContact CD1-CB 3.92Å; L95-W106 HydrophobicContact CD1-CD2 3.87Å; L95-W106 HydrophobicContact CD1-CE3 4.12Å; L95-W106 HydrophobicContact CD1-CG 3.78Å; L95-W106 HydrophobicContact CG-CD2 4.4Å; L95-L115 HydrophobicContact CD2-CD2 4.36Å; L95-L119 HydrophobicContact CD1-CD1 3.99Å; L95-L119 HydrophobicContact CD2-CD1 3.83Å; L95-L119 HydrophobicContact CG-CD1 4.36Å; L95-V126 HydrophobicContact CD1-CG1 3.86Å; L95-V126 HydrophobicContact CG-CG1 4.19Å; L95-W127 PolarHBondContact N-O 2.99Å; L95-L128 HydrophobicContact CB-CD2 3.96Å; L95-L128 HydrophobicContact CD1-CD2 3.6Å; L95-L128 HydrophobicContact CG-CD2 4.03Å; L95-G129 PolarHBondContact O-N 3.45Å; L95-I182 CarbonylContact C-O 3.48Å; L95-I182 WeakPolarHBondContact CA-O 3.5Å; L95-I182 HydrophobicContact CD2-CB 3.58Å; L95-I182 HydrophobicContact CD2-CD1 3.74Å; L95-I182 HydrophobicContact CD2-CG1 3.8Å; L95-I182 HydrophobicContact CD2-CG2 4.32Å |
| 96 | Q | 98.9 | Very high | 90.1 | Very high | 7 Ų | 7 | 26.5 Ų | 26.5 | 3% | 0.033 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 120.7 | -179.9 | -172.2 | 63.5 | 61.4 | 0 | 0 | 112.5 | F94 W106 S131 Y181 I182 H184 | F94-Q96 HydrophobicContact CE1-CB 4.18Å; Q96-W106 WeakPolarHBondContact O-CZ2 3.44Å; Q96-S131 PolarHBondContact NE2-OG 3.27Å; Q96-Y181 HydrophobicContact CB-CE1 4.42Å; Q96-Y181 HydrophobicContact CB-CE2 3.93Å; Q96-Y181 WeakPolarHBondContact CB-OH 3.36Å; Q96-Y181 VanDerWaalsContact CG-OH 3.26Å; Q96-Y181 WeakPolarHBondContact CG-OH 3.44Å; Q96-I182 PolarHBondContact N-O 2.9Å; Q96-H184 PolarHBondContact O-N 2.8Å |
| 97 | H | 98.6 | Very high | 91.9 | Very high | 3 Ų | 3 | 21.6 Ų | 21.6 | 1% | 0.014 | 12% | 0.115 | C | C | . | . | trans | -69.4 | 173.1 | -178.5 | 68.4 | 74.2 | 0 | 0 | 0 | 113.9 | D101 S102 T105 G129 N130 S131 H184 G187 | H97-D101 HydrophobicContact CB-CB 3.98Å; H97-D101 PolarHBondContact CE1-O 3.18Å; H97-D101 VanDerWaalsContact ND1-C 3.32Å; H97-D101 PolarHBondContact ND1-O 3.21Å; H97-D101 VanDerWaalsContact ND1-O 3.17Å; H97-S102 VanDerWaalsContact CB-O 3.26Å; H97-S102 WeakPolarHBondContact CB-O 3.33Å; H97-S102 WeakPolarHBondContact CD2-CA 3.41Å; H97-T105 HydrophobicContact CB-CG2 3.84Å; H97-G129 PolarHBondContact CD2-O 2.93Å; H97-N130 WeakPolarHBondContact NE2-CA 3.32Å; H97-S131 PolarHBondContact NE2-N 3.05Å; H97-S131 VanDerWaalsContact NE2-N 3.11Å; H97-H184 CarbonylContact C-O 3.54Å; H97-G187 WeakPolarHBondContact O-CA 3.25Å; H97-G187 PolarHBondContact O-N 3.17Å; H97-G187 VanDerWaalsContact O-N 3.14Å | ||
| 98 | G | 97.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.01 | 8% | 0.083 | C | C | . | . | trans | -88.7 | -166.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | D101 H184 | G98-D101 PolarHBondContact O-N 3.27Å; G98-H184 WeakPolarHBondContact CA-O 3.3Å; G98-H184 PolarHBondContact N-O 3.45Å | ||
| 99 | L | 96.7 | Very high | 94.8 | Very high | 14 Ų | 14 | 15.3 Ų | 15.3 | 7% | 0.073 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 136.8 | 174.9 | 172.2 | 66 | 0 | 0 | 0 | 110 | D101 Q186 M274 T301 N305 M306 Y309 | L99-D101 PolarHBondContact O-N 3.1Å; L99-D101 VanDerWaalsContact O-N 3.09Å; L99-Q186 HydrophobicContact CB-CB 4.24Å; L99-M274 VanDerWaalsContact O-CE 3.27Å; L99-M274 WeakPolarHBondContact O-CE 3.4Å; L99-T301 HydrophobicContact CD1-CG2 4.41Å; L99-N305 WeakPolarHBondContact CD1-ND2 3.26Å; L99-M306 HydrophobicContact CD1-SD 3.92Å; L99-M306 HydrophobicContact CD2-SD 4.27Å; L99-Y309 HydrophobicContact CD1-CD2 4.28Å; L99-Y309 HydrophobicContact CD1-CE2 3.86Å; L99-Y309 HydrophobicContact CD2-CD1 4.34Å; L99-Y309 HydrophobicContact CD2-CD2 4.31Å; L99-Y309 HydrophobicContact CD2-CE1 4.14Å; L99-Y309 HydrophobicContact CD2-CE2 4.13Å; L99-Y309 HydrophobicContact CD2-CG 4.42Å; L99-Y309 HydrophobicContact CG-CE2 4.41Å |
| 100 | L | 94.5 | Very high | 96.1 | Very high | 3 Ų | 3 | 9.5 Ų | 9.5 | 2% | 0.016 | 5% | 0.047 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 17.7 | 179 | -68.1 | 166.5 | 0 | 0 | 0 | 114.6 | F246 I273 M274 L277 T297 P298 A299 T301 M306 | L100-F246 HydrophobicContact CD1-CD1 4.33Å; L100-F246 HydrophobicContact CD1-CE1 3.95Å; L100-F246 HydrophobicContact CD2-CD1 3.7Å; L100-F246 HydrophobicContact CD2-CE1 4.14Å; L100-I273 HydrophobicContact CD1-CG1 4.44Å; L100-I273 HydrophobicContact CD1-CG2 4.13Å; L100-M274 HydrophobicContact CB-SD 3.57Å; L100-M274 VanDerWaalsContact CB-SD 3.57Å; L100-M274 HydrophobicContact CD1-SD 4.35Å; L100-L277 HydrophobicContact CD1-CD1 3.8Å; L100-T297 VanDerWaalsContact O-CG2 3.3Å; L100-T297 WeakPolarHBondContact O-CG2 3.41Å; L100-P298 HydrophobicContact CB-CB 3.99Å; L100-P298 HydrophobicContact CD2-CB 4.04Å; L100-P298 HydrophobicContact CG-CB 4.46Å; L100-P298 CarbonylContact O-C 3.56Å; L100-P298 VanDerWaalsContact O-CA 3.24Å; L100-P298 WeakPolarHBondContact O-CA 3.36Å; L100-A299 PolarHBondContact O-N 3.35Å; L100-T301 HydrophobicContact CD2-CG2 3.36Å; L100-T301 HydrophobicContact CG-CG2 4.03Å; L100-M306 HydrophobicContact CD1-SD 4.42Å |
| 101 | D | 95.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 8.6 Ų | 8.6 | 1% | 0.005 | 5% | 0.045 | C | C | . | . | trans | -111.7 | 179.4 | -175.4 | -159.2 | 1 | 0 | 0 | 0 | 110.8 | H97 G98 L99 T105 | H97-D101 HydrophobicContact CB-CB 3.98Å; H97-D101 PolarHBondContact CE1-O 3.18Å; H97-D101 VanDerWaalsContact ND1-C 3.32Å; H97-D101 PolarHBondContact ND1-O 3.21Å; H97-D101 VanDerWaalsContact ND1-O 3.17Å; G98-D101 PolarHBondContact O-N 3.27Å; L99-D101 PolarHBondContact O-N 3.1Å; L99-D101 VanDerWaalsContact O-N 3.09Å; D101-T105 WeakPolarHBondContact OD2-CB 2.92Å; D101-T105 PolarHBondContact OD2-OG1 3.06Å | ||
| 102 | S | 96.7 | Very high | 96.8 | Very high | 2 Ų | 2 | 12.4 Ų | 12.4 | 1% | 0.014 | 6% | 0.063 | C | C | . | . | trans | -141.5 | 178.4 | 173 | 66 | 0 | 0 | 0 | 0 | 111 | H97 H104 T105 N130 | H97-S102 VanDerWaalsContact CB-O 3.26Å; H97-S102 WeakPolarHBondContact CB-O 3.33Å; H97-S102 WeakPolarHBondContact CD2-CA 3.41Å; S102-H104 PolarHBondContact O-N 2.88Å; S102-H104 VanDerWaalsContact OG-CB 3.23Å; S102-H104 WeakPolarHBondContact OG-CB 3.45Å; S102-H104 PolarHBondContact OG-N 3.06Å; S102-T105 WeakPolarHBondContact O-CB 3.23Å; S102-T105 PolarHBondContact O-N 3.07Å; S102-T105 VanDerWaalsContact O-N 3.13Å; S102-N130 WeakPolarHBondContact CB-OD1 3.39Å | ||
| 103 | A | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.071 | C | C | . | . | G | 310 helix | trans | -50.7 | -22.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | I50 T105 W106 L128 N130 | I50-A103 VanDerWaalsContact CD1-C 3.45Å; I50-A103 HydrophobicContact CD1-CB 3.42Å; I50-A103 VanDerWaalsContact CD1-CB 3.42Å; A103-T105 PolarHBondContact O-N 3.06Å; A103-T105 VanDerWaalsContact O-N 3.12Å; A103-W106 PolarHBondContact O-N 2.96Å; A103-W106 VanDerWaalsContact O-N 3.15Å; A103-L128 HydrophobicContact CB-CB 3.65Å; A103-L128 HydrophobicContact CB-CD1 4.27Å; A103-N130 WeakPolarHBondContact CB-OD1 3.46Å; A103-N130 PolarHBondContact N-OD1 2.64Å |
| 104 | H | 95.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.072 | C | C | . | . | G | 310 helix | trans | -55.6 | -29.5 | 178.4 | -158.9 | -76.6 | 0 | 0 | 0 | 113.2 | I53 S102 W106 V107 N108 H296 | I53-H104 WeakPolarHBondContact CD1-NE2 3.41Å; S102-H104 PolarHBondContact O-N 2.88Å; S102-H104 VanDerWaalsContact OG-CB 3.23Å; S102-H104 WeakPolarHBondContact OG-CB 3.45Å; S102-H104 PolarHBondContact OG-N 3.06Å; H104-W106 PolarHBondContact O-N 3.28Å; H104-W106 VanDerWaalsContact O-N 3.1Å; H104-V107 CarbonylContact O-C 3.26Å; H104-V107 WeakPolarHBondContact O-CG2 3.28Å; H104-V107 PolarHBondContact O-N 2.94Å; H104-N108 PolarHBondContact CE1-OD1 3.17Å; H104-N108 PolarHBondContact ND1-OD1 2.98Å; H104-N108 WeakPolarHBondContact O-CB 3.43Å; H104-N108 PolarHBondContact O-N 3.41Å; H104-H296 HydrophobicContact CB-CB 4.3Å; H104-H296 AromaticContact CD2-CD2 3.82Å; H104-H296 AromaticContact CD2-CE1 3.99Å; H104-H296 AromaticContact CD2-CG 3.53Å; H104-H296 AromaticContact CD2-ND1 3.68Å; H104-H296 AromaticContact CE1-CD2 3.15Å; H104-H296 PolarHBondContact CE1-CD2 2.87Å; H104-H296 AromaticContact CE1-CG 3.51Å; H104-H296 AromaticContact CE1-NE2 3.78Å; H104-H296 AromaticContact CG-CG 3.75Å; H104-H296 AromaticContact ND1-CD2 3.79Å; H104-H296 AromaticContact ND1-CG 3.71Å; H104-H296 AromaticContact NE2-CD2 3.16Å; H104-H296 PolarHBondContact NE2-CD2 3.41Å; H104-H296 AromaticContact NE2-CE1 3.69Å; H104-H296 AromaticContact NE2-CG 3.39Å; H104-H296 AromaticContact NE2-ND1 3.75Å; H104-H296 AromaticContact NE2-NE2 3.33Å; H104-H296 PolarHBondContact NE2-NE2 2.81Å |
| 105 | T | 96.3 | Very high | 96.8 | Very high | 2 Ų | 2 | 14.3 Ų | 14.3 | 1% | 0.012 | 7% | 0.072 | C | C | . | . | G | 310 helix | trans | -54.4 | -31.5 | 178.6 | -147 | 0 | 0 | 0 | 0 | 113.4 | H97 D101 S102 A103 V391 W392 | H97-T105 HydrophobicContact CB-CG2 3.84Å; D101-T105 WeakPolarHBondContact OD2-CB 2.92Å; D101-T105 PolarHBondContact OD2-OG1 3.06Å; S102-T105 WeakPolarHBondContact O-CB 3.23Å; S102-T105 PolarHBondContact O-N 3.07Å; S102-T105 VanDerWaalsContact O-N 3.13Å; A103-T105 PolarHBondContact O-N 3.06Å; A103-T105 VanDerWaalsContact O-N 3.12Å; T105-V391 HydrophobicContact CG2-CG1 4.47Å; T105-W392 PolarHBondContact OG1-NE1 3.18Å |
| 106 | W | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 0% | 0.004 | 7% | 0.072 | C | C | . | . | G | 310 helix | trans | -85 | -8.2 | -176.3 | -53.9 | 116.8 | 0 | 0 | 0 | 114.3 | L95 Q96 A103 H104 S114 L115 G116 L128 I182 H184 L211 V391 | L95-W106 HydrophobicContact CB-CD2 3.81Å; L95-W106 HydrophobicContact CB-CG 3.92Å; L95-W106 HydrophobicContact CB-CZ2 4.07Å; L95-W106 HydrophobicContact CD1-CB 3.92Å; L95-W106 HydrophobicContact CD1-CD2 3.87Å; L95-W106 HydrophobicContact CD1-CE3 4.12Å; L95-W106 HydrophobicContact CD1-CG 3.78Å; L95-W106 HydrophobicContact CG-CD2 4.4Å; Q96-W106 WeakPolarHBondContact O-CZ2 3.44Å; A103-W106 PolarHBondContact O-N 2.96Å; A103-W106 VanDerWaalsContact O-N 3.15Å; H104-W106 PolarHBondContact O-N 3.28Å; H104-W106 VanDerWaalsContact O-N 3.1Å; W106-S114 VanDerWaalsContact O-CB 3.3Å; W106-S114 WeakPolarHBondContact O-CB 3.49Å; W106-L115 HydrophobicContact CE3-CB 4.22Å; W106-L115 HydrophobicContact CE3-CD2 4.06Å; W106-L115 HydrophobicContact CZ3-CD2 3.78Å; W106-G116 PolarHBondContact O-N 3.36Å; W106-L128 HydrophobicContact CB-CD2 4.03Å; W106-L128 HydrophobicContact CG-CD2 4.23Å; W106-I182 HydrophobicContact CH2-CG2 4.45Å; W106-H184 HydrophobicContact CH2-CB 3.77Å; W106-H184 HydrophobicContact CZ2-CB 4.09Å; W106-L211 HydrophobicContact CH2-CD1 4.2Å; W106-L211 HydrophobicContact CZ3-CD1 4.18Å; W106-V391 HydrophobicContact CE3-CG1 4.17Å; W106-V391 HydrophobicContact CH2-CG1 3.96Å; W106-V391 HydrophobicContact CZ3-CG1 3.63Å |
| 107 | V | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.9 | 11.5 | -176 | -63.3 | 0 | 0 | 0 | 0 | 112.9 | I50 I54 I79 H104 N109 F117 L128 | I50-V107 HydrophobicContact CD1-CG2 4.05Å; I50-V107 HydrophobicContact CG1-CG2 3.72Å; I54-V107 HydrophobicContact CG1-CG1 4.12Å; I79-V107 HydrophobicContact CD1-CG1 3.78Å; H104-V107 CarbonylContact O-C 3.26Å; H104-V107 WeakPolarHBondContact O-CG2 3.28Å; H104-V107 PolarHBondContact O-N 2.94Å; V107-N109 VanDerWaalsContact C-N 3.28Å; V107-N109 PolarHBondContact O-N 3.45Å; V107-F117 HydrophobicContact CB-CD2 4.41Å; V107-F117 HydrophobicContact CB-CE1 4.47Å; V107-F117 HydrophobicContact CB-CE2 3.54Å; V107-F117 HydrophobicContact CB-CZ 3.57Å; V107-F117 HydrophobicContact CG1-CD2 4.38Å; V107-F117 HydrophobicContact CG1-CE1 3.97Å; V107-F117 HydrophobicContact CG1-CE2 3.8Å; V107-F117 HydrophobicContact CG1-CZ 3.55Å; V107-L128 HydrophobicContact CG1-CD1 4.28Å |
| 108 | N | 90.7 | Very high | 96.7 | Very high | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.005 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -71 | -16 | -169.7 | -116.1 | -28.4 | 0 | 0 | 0 | 114.5 | H104 R289 Y293 W392 | H104-N108 PolarHBondContact CE1-OD1 3.17Å; H104-N108 PolarHBondContact ND1-OD1 2.98Å; H104-N108 WeakPolarHBondContact O-CB 3.43Å; H104-N108 PolarHBondContact O-N 3.41Å; N108-R289 VanDerWaalsContact O-CZ 3.26Å; N108-R289 PolarHBondContact O-NE 3.36Å; N108-R289 PolarHBondContact O-NH2 3.42Å; N108-Y293 HydrophobicContact CB-CD1 4.23Å; N108-Y293 HydrophobicContact CB-CE1 4.09Å; N108-W392 PolarHBondContact ND2-NE1 2.99Å |
| 109 | N | 94.7 | Very high | 96.7 | Very high | 3 Ų | 3 | 14.6 Ų | 14.6 | 2% | 0.016 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -113 | -164.6 | -176.1 | -70.2 | -29.2 | 0 | 0 | 0 | 111.3 | K57 V107 E113 S114 Y293 | K57-N109 PolarHBondContact NZ-O 3.21Å; V107-N109 VanDerWaalsContact C-N 3.28Å; V107-N109 PolarHBondContact O-N 3.45Å; N109-E113 HydrophobicContact CB-CB 3.64Å; N109-S114 VanDerWaalsContact CA-OG 3.3Å; N109-S114 WeakPolarHBondContact CA-OG 3.47Å; N109-S114 WeakPolarHBondContact CB-OG 3.39Å; N109-S114 PolarHBondContact N-OG 3.13Å; N109-S114 VanDerWaalsContact N-OG 3.07Å; N109-S114 PolarHBondContact O-OG 2.78Å; N109-Y293 WeakPolarHBondContact OD1-CE1 3.24Å; N109-Y293 PolarHBondContact OD1-OH 3.47Å |
| 110 | L | 95.9 | Very high | 96.8 | Very high | 68 Ų | 68 | 14 Ų | 14 | 36% | 0.356 | 7% | 0.071 | S | C | . | . | trans | -65.4 | 158.4 | 168.9 | -60.3 | 178.4 | 0 | 0 | 0 | 110.6 | E112 E113 S114 | L110-E112 VanDerWaalsContact C-N 3.29Å; L110-E112 HydrophobicContact CB-CG 4.48Å; L110-E112 PolarHBondContact O-N 3.25Å; L110-E113 HydrophobicContact CB-CB 4.25Å; L110-E113 HydrophobicContact CB-CG 4.24Å; L110-E113 CarbonylContact O-C 3.49Å; L110-E113 WeakPolarHBondContact O-CA 3.46Å; L110-E113 PolarHBondContact O-N 3.19Å; L110-S114 PolarHBondContact O-N 3.09Å; L110-S114 PolarHBondContact O-OG 3.42Å | ||
| 111 | P | 97.2 | Very high | 96.8 | Very high | 27 Ų | 27 | 16.8 Ų | 16.8 | 18% | 0.175 | 9% | 0.086 | C | C | . | . | G | 310 helix | trans | -48.7 | -48.2 | 176.2 | -30.5 | 38.1 | 0 | 0 | 0 | 113.9 | K57 Y59 E113 S114 F117 | K57-P111 HydrophobicContact CB-CG 4.11Å; K57-P111 HydrophobicContact CD-CG 4.14Å; K57-P111 HydrophobicContact CG-CG 4.18Å; Y59-P111 HydrophobicContact CE2-CB 4.1Å; Y59-P111 HydrophobicContact CE2-CG 4.31Å; P111-E113 PolarHBondContact O-N 3.16Å; P111-S114 PolarHBondContact O-N 3.33Å; P111-F117 HydrophobicContact CB-CB 4.27Å; P111-F117 HydrophobicContact CB-CD2 4.39Å; P111-F117 HydrophobicContact CB-CG 4.43Å; P111-F117 WeakPolarHBondContact O-CB 3.37Å |
| 112 | E | 96.8 | Very high | 96.8 | Very high | 125 Ų | 125 | 20.5 Ų | 20.5 | 58% | 0.584 | 11% | 0.106 | S | C | * | . | G | 310 helix | trans | -72.7 | -2.9 | 178.3 | 64.3 | -89.4 | -148.8 | 0 | 0 | 114.4 | L110 A397 | L110-E112 VanDerWaalsContact C-N 3.29Å; L110-E112 HydrophobicContact CB-CG 4.48Å; L110-E112 PolarHBondContact O-N 3.25Å; E112-A397 WeakPolarHBondContact O-CB 3.5Å |
| 113 | E | 97.3 | Very high | 96.7 | Very high | 39 Ų | 39 | 22.8 Ų | 22.8 | 18% | 0.182 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -119.5 | -3.2 | -178.2 | -68.4 | -178.3 | 152.2 | 0 | 0 | 113.6 | N109 L110 P111 Y401 | N109-E113 HydrophobicContact CB-CB 3.64Å; L110-E113 HydrophobicContact CB-CB 4.25Å; L110-E113 HydrophobicContact CB-CG 4.24Å; L110-E113 CarbonylContact O-C 3.49Å; L110-E113 WeakPolarHBondContact O-CA 3.46Å; L110-E113 PolarHBondContact O-N 3.19Å; P111-E113 PolarHBondContact O-N 3.16Å; E113-Y401 WeakPolarHBondContact O-CE2 3.09Å |
| 114 | S | 98.3 | Very high | 96.7 | Very high | 3 Ų | 3 | 23.9 Ų | 23.9 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | trans | -117.2 | 126.4 | -174.6 | -44.8 | 0 | 0 | 0 | 0 | 110.8 | W106 N109 L110 P111 G116 F117 I118 | W106-S114 VanDerWaalsContact O-CB 3.3Å; W106-S114 WeakPolarHBondContact O-CB 3.49Å; N109-S114 VanDerWaalsContact CA-OG 3.3Å; N109-S114 WeakPolarHBondContact CA-OG 3.47Å; N109-S114 WeakPolarHBondContact CB-OG 3.39Å; N109-S114 PolarHBondContact N-OG 3.13Å; N109-S114 VanDerWaalsContact N-OG 3.07Å; N109-S114 PolarHBondContact O-OG 2.78Å; L110-S114 PolarHBondContact O-N 3.09Å; L110-S114 PolarHBondContact O-OG 3.42Å; P111-S114 PolarHBondContact O-N 3.33Å; S114-G116 VanDerWaalsContact C-N 3.27Å; S114-G116 PolarHBondContact O-N 2.81Å; S114-F117 PolarHBondContact O-N 3.16Å; S114-F117 VanDerWaalsContact O-N 3.13Å; S114-I118 WeakPolarHBondContact O-CG1 3.18Å; S114-I118 PolarHBondContact O-N 2.94Å | ||
| 115 | L | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.4 | -38 | -173 | -177 | 60.7 | 0 | 0 | 0 | 112.8 | L95 W106 F117 I118 L119 I182 Y401 I404 | L95-L115 HydrophobicContact CD2-CD2 4.36Å; W106-L115 HydrophobicContact CE3-CB 4.22Å; W106-L115 HydrophobicContact CE3-CD2 4.06Å; W106-L115 HydrophobicContact CZ3-CD2 3.78Å; L115-F117 PolarHBondContact O-N 3.15Å; L115-I118 PolarHBondContact O-N 3.42Å; L115-L119 HydrophobicContact CD1-CD1 4.05Å; L115-L119 HydrophobicContact CD1-CG 3.98Å; L115-L119 HydrophobicContact CG-CD1 3.85Å; L115-L119 HydrophobicContact CG-CG 4.27Å; L115-L119 WeakPolarHBondContact O-CB 3.32Å; L115-L119 VanDerWaalsContact O-CG 3.26Å; L115-L119 WeakPolarHBondContact O-CG 3.25Å; L115-L119 PolarHBondContact O-N 3.03Å; L115-I182 HydrophobicContact CD2-CD1 4.27Å; L115-I182 HydrophobicContact CD2-CG2 4.38Å; L115-Y401 HydrophobicContact CB-CD1 4.34Å; L115-Y401 HydrophobicContact CB-CD2 4.36Å; L115-Y401 HydrophobicContact CB-CE1 4.09Å; L115-Y401 HydrophobicContact CB-CE2 4.13Å; L115-Y401 HydrophobicContact CB-CG 4.49Å; L115-Y401 HydrophobicContact CD1-CD1 3.89Å; L115-Y401 HydrophobicContact CD1-CD2 4.42Å; L115-Y401 HydrophobicContact CD1-CE1 4.45Å; L115-Y401 HydrophobicContact CD1-CG 3.89Å; L115-Y401 HydrophobicContact CD2-CD1 4.49Å; L115-Y401 HydrophobicContact CD2-CE1 4.42Å; L115-Y401 HydrophobicContact CG-CD1 4.47Å; L115-I404 HydrophobicContact CD1-CD1 4.46Å; L115-I404 HydrophobicContact CD1-CG2 4.37Å; L115-I404 HydrophobicContact CD2-CD1 4.17Å |
| 116 | G | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61 | -43.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | W106 S114 A120 | W106-G116 PolarHBondContact O-N 3.36Å; S114-G116 VanDerWaalsContact C-N 3.27Å; S114-G116 PolarHBondContact O-N 2.81Å; G116-A120 PolarHBondContact O-N 3Å |
| 117 | F | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -71.8 | -43.2 | 177.2 | -65.1 | -47 | 0 | 0 | 0 | 112.3 | I54 K57 Y59 I79 V107 P111 S114 L115 L119 A120 D121 | I54-F117 HydrophobicContact CB-CE1 4.39Å; I54-F117 HydrophobicContact CG1-CE1 4.1Å; I54-F117 HydrophobicContact CG1-CZ 4.13Å; I54-F117 HydrophobicContact CG2-CE1 4.24Å; K57-F117 HydrophobicContact CB-CZ 4.29Å; K57-F117 HydrophobicContact CD-CD2 4.1Å; K57-F117 HydrophobicContact CD-CE1 4.41Å; K57-F117 HydrophobicContact CD-CE2 3.24Å; K57-F117 HydrophobicContact CD-CZ 3.44Å; K57-F117 VanDerWaalsContact CD-CZ 3.44Å; K57-F117 HydrophobicContact CG-CZ 4.47Å; Y59-F117 AromaticContact CD1-CD1 3.79Å; Y59-F117 HydrophobicContact CD1-CD1 3.79Å; Y59-F117 HydrophobicContact CD1-CE1 4.43Å; Y59-F117 AromaticContact CD2-CD1 3.39Å; Y59-F117 HydrophobicContact CD2-CD1 3.39Å; Y59-F117 AromaticContact CD2-CE1 3.54Å; Y59-F117 HydrophobicContact CD2-CE1 3.54Å; Y59-F117 HydrophobicContact CD2-CG 4.27Å; Y59-F117 HydrophobicContact CE1-CB 4.11Å; Y59-F117 AromaticContact CE1-CD1 3.8Å; Y59-F117 HydrophobicContact CE1-CD1 3.8Å; Y59-F117 HydrophobicContact CE1-CG 4.37Å; Y59-F117 HydrophobicContact CE2-CB 4.19Å; Y59-F117 AromaticContact CE2-CD1 3.42Å; Y59-F117 HydrophobicContact CE2-CD1 3.42Å; Y59-F117 VanDerWaalsContact CE2-CD1 3.42Å; Y59-F117 AromaticContact CE2-CE1 3.98Å; Y59-F117 HydrophobicContact CE2-CE1 3.98Å; Y59-F117 AromaticContact CE2-CG 3.87Å; Y59-F117 HydrophobicContact CE2-CG 3.87Å; Y59-F117 AromaticContact CG-CD1 3.61Å; Y59-F117 HydrophobicContact CG-CD1 3.61Å; Y59-F117 AromaticContact CG-CE1 3.82Å; Y59-F117 HydrophobicContact CG-CE1 3.82Å; Y59-F117 AromaticContact CZ-CD1 3.64Å; Y59-F117 AromaticContact CZ-CG 3.92Å; I79-F117 HydrophobicContact CD1-CD1 4.31Å; I79-F117 HydrophobicContact CD1-CE1 4.18Å; V107-F117 HydrophobicContact CB-CD2 4.41Å; V107-F117 HydrophobicContact CB-CE1 4.47Å; V107-F117 HydrophobicContact CB-CE2 3.54Å; V107-F117 HydrophobicContact CB-CZ 3.57Å; V107-F117 HydrophobicContact CG1-CD2 4.38Å; V107-F117 HydrophobicContact CG1-CE1 3.97Å; V107-F117 HydrophobicContact CG1-CE2 3.8Å; V107-F117 HydrophobicContact CG1-CZ 3.55Å; P111-F117 HydrophobicContact CB-CB 4.27Å; P111-F117 HydrophobicContact CB-CD2 4.39Å; P111-F117 HydrophobicContact CB-CG 4.43Å; P111-F117 WeakPolarHBondContact O-CB 3.37Å; S114-F117 PolarHBondContact O-N 3.16Å; S114-F117 VanDerWaalsContact O-N 3.13Å; L115-F117 PolarHBondContact O-N 3.15Å; F117-L119 VanDerWaalsContact C-N 3.29Å; F117-L119 PolarHBondContact O-N 2.86Å; F117-A120 PolarHBondContact O-N 3.24Å; F117-D121 PolarHBondContact O-N 2.93Å |
| 118 | I | 98.2 | Very high | 96.9 | Very high | 18 Ų | 18 | 24 Ų | 24 | 9% | 0.092 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.3 | -41.5 | 177.8 | -69.5 | 164.4 | 0 | 0 | 0 | 111.1 | S114 L115 D121 N122 A397 Y401 L405 | S114-I118 WeakPolarHBondContact O-CG1 3.18Å; S114-I118 PolarHBondContact O-N 2.94Å; L115-I118 PolarHBondContact O-N 3.42Å; I118-D121 PolarHBondContact O-N 3.47Å; I118-N122 PolarHBondContact O-N 3.15Å; I118-N122 VanDerWaalsContact O-N 3.08Å; I118-N122 PolarHBondContact O-ND2 2.84Å; I118-A397 HydrophobicContact CD1-CB 3.87Å; I118-Y401 HydrophobicContact CD1-CD2 3.51Å; I118-Y401 HydrophobicContact CD1-CE2 4.23Å; I118-Y401 HydrophobicContact CD1-CG 4.41Å; I118-L405 HydrophobicContact CG2-CD1 3.84Å; I118-L405 HydrophobicContact CG2-CG 4.48Å |
| 119 | L | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.5 | -45.4 | 175.8 | -73.4 | 168 | 0 | 0 | 0 | 111.7 | V93 L95 L115 F117 D121 N122 C123 Y124 V126 I182 L405 L408 | V93-L119 HydrophobicContact CB-CD1 4.46Å; V93-L119 HydrophobicContact CG1-CD1 3.9Å; L95-L119 HydrophobicContact CD1-CD1 3.99Å; L95-L119 HydrophobicContact CD2-CD1 3.83Å; L95-L119 HydrophobicContact CG-CD1 4.36Å; L115-L119 HydrophobicContact CD1-CD1 4.05Å; L115-L119 HydrophobicContact CD1-CG 3.98Å; L115-L119 HydrophobicContact CG-CD1 3.85Å; L115-L119 HydrophobicContact CG-CG 4.27Å; L115-L119 WeakPolarHBondContact O-CB 3.32Å; L115-L119 VanDerWaalsContact O-CG 3.26Å; L115-L119 WeakPolarHBondContact O-CG 3.25Å; L115-L119 PolarHBondContact O-N 3.03Å; F117-L119 VanDerWaalsContact C-N 3.29Å; F117-L119 PolarHBondContact O-N 2.86Å; L119-D121 VanDerWaalsContact C-N 3.3Å; L119-D121 PolarHBondContact O-N 3.43Å; L119-N122 CarbonylContact O-C 3.58Å; L119-N122 WeakPolarHBondContact O-CA 3.07Å; L119-N122 PolarHBondContact O-N 3.01Å; L119-C123 PolarHBondContact O-N 3.11Å; L119-Y124 HydrophobicContact CB-CD2 4.35Å; L119-Y124 HydrophobicContact CD2-CD2 3.74Å; L119-Y124 HydrophobicContact CD2-CE2 4.15Å; L119-Y124 HydrophobicContact CD2-CG 4.16Å; L119-Y124 WeakPolarHBondContact O-CB 3.25Å; L119-Y124 WeakPolarHBondContact O-CD2 3.28Å; L119-Y124 PolarHBondContact O-N 3.24Å; L119-Y124 VanDerWaalsContact O-N 3.09Å; L119-V126 HydrophobicContact CB-CG2 3.49Å; L119-V126 VanDerWaalsContact CB-CG2 3.49Å; L119-V126 HydrophobicContact CD1-CG1 4.49Å; L119-I182 HydrophobicContact CD1-CD1 4.44Å; L119-L405 HydrophobicContact CD2-CD2 3.86Å; L119-L408 HydrophobicContact CD2-CD1 3.47Å; L119-L408 VanDerWaalsContact CD2-CD1 3.47Å |
| 120 | A | 97.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.5 | -37.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y59 I79 K82 G116 F117 N122 C123 V126 | Y59-A120 HydrophobicContact CD1-CB 4.08Å; Y59-A120 HydrophobicContact CE1-CB 4.07Å; I79-A120 HydrophobicContact CG2-CB 3.71Å; K82-A120 PolarHBondContact N-O 3.27Å; G116-A120 PolarHBondContact O-N 3Å; F117-A120 PolarHBondContact O-N 3.24Å; A120-N122 VanDerWaalsContact C-N 3.27Å; A120-N122 PolarHBondContact O-N 3.33Å; A120-C123 PolarHBondContact O-N 2.79Å; A120-V126 HydrophobicContact CB-CG2 4.21Å |
| 121 | D | 96.2 | Very high | 97.7 | Very high | 62 Ų | 62 | 20.9 Ų | 20.9 | 33% | 0.332 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -69.3 | -24 | 174 | -71.5 | -31 | 0 | 0 | 0 | 112.7 | Y59 K82 F117 I118 L119 C123 | Y59-D121 WeakPolarHBondContact CE1-OD1 3.38Å; Y59-D121 VanDerWaalsContact OH-CG 3.22Å; Y59-D121 PolarHBondContact OH-OD1 2.75Å; Y59-D121 VanDerWaalsContact OH-OD1 3.13Å; Y59-D121 PolarHBondContact OH-OD2 3.43Å; K82-D121 VanDerWaalsContact CD-OD1 3.23Å; K82-D121 WeakPolarHBondContact CD-OD1 3.3Å; K82-D121 VanDerWaalsContact CE-OD1 3.3Å; K82-D121 WeakPolarHBondContact CE-OD1 3.4Å; K82-D121 IonicContact NZ-OD1 3.98Å; K82-D121 PolarHBondContact NZ-OD1 3.08Å; F117-D121 PolarHBondContact O-N 2.93Å; I118-D121 PolarHBondContact O-N 3.47Å; L119-D121 VanDerWaalsContact C-N 3.3Å; L119-D121 PolarHBondContact O-N 3.43Å; D121-C123 VanDerWaalsContact C-N 3.3Å |
| 122 | N | 95.1 | Very high | 97.7 | Very high | 80 Ų | 80 | 19.7 Ų | 19.7 | 43% | 0.428 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 27.8 | 173.8 | -75.3 | -90.5 | 0 | 0 | 0 | 112.7 | I118 L119 A120 Y124 L405 | I118-N122 PolarHBondContact O-N 3.15Å; I118-N122 VanDerWaalsContact O-N 3.08Å; I118-N122 PolarHBondContact O-ND2 2.84Å; L119-N122 CarbonylContact O-C 3.58Å; L119-N122 WeakPolarHBondContact O-CA 3.07Å; L119-N122 PolarHBondContact O-N 3.01Å; A120-N122 VanDerWaalsContact C-N 3.27Å; A120-N122 PolarHBondContact O-N 3.33Å; N122-Y124 VanDerWaalsContact C-N 3.27Å; N122-Y124 HydrophobicContact CB-CD2 3.93Å; N122-Y124 HydrophobicContact CB-CE2 3.91Å; N122-Y124 WeakPolarHBondContact O-CD2 3.47Å; N122-Y124 PolarHBondContact O-N 3.35Å; N122-L405 HydrophobicContact CB-CD2 3.86Å |
| 123 | C | 94.7 | Very high | 97.7 | Very high | 50 Ų | 50 | 13.8 Ų | 13.8 | 34% | 0.338 | 7% | 0.074 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 17.5 | 174.5 | -46.2 | 0 | 0 | 0 | 0 | 116.3 | C83 Q90 L119 A120 D121 | C83-C123 HydrophobicContact CB-CB 3.61Å; C83-C123 WeakPolarHBondContact CB-SG 3.48Å; C83-C123 WeakPolarHBondContact SG-CA 3.49Å; C83-C123 WeakPolarHBondContact SG-CB 3.34Å; C83-C123 CovalentContact SG-SG 2.02Å; C83-C123 PolarHBondContact SG-SG 3.07Å; Q90-C123 WeakPolarHBondContact CB-O 3.39Å; Q90-C123 WeakPolarHBondContact CG-O 3.36Å; L119-C123 PolarHBondContact O-N 3.11Å; A120-C123 PolarHBondContact O-N 2.79Å; D121-C123 VanDerWaalsContact C-N 3.3Å |
| 124 | Y | 96.5 | Very high | 97.7 | Very high | 23 Ų | 23 | 12 Ų | 12 | 9% | 0.09 | 7% | 0.066 | C | C | . | . | trans | -82.5 | 146.4 | 173.4 | -66 | -82.3 | 0 | 0 | 0 | 111.3 | P81 K91 V93 L119 N122 L405 L408 S409 | P81-Y124 WeakPolarHBondContact CB-O 3.36Å; K91-Y124 HydrophobicContact CB-CD1 3.96Å; K91-Y124 HydrophobicContact CB-CE1 4.12Å; K91-Y124 HydrophobicContact CD-CE1 4.14Å; K91-Y124 HydrophobicContact CG-CD1 4.27Å; K91-Y124 HydrophobicContact CG-CE1 4.27Å; V93-Y124 HydrophobicContact CG2-CD1 3.51Å; V93-Y124 HydrophobicContact CG2-CE1 4.21Å; V93-Y124 HydrophobicContact CG2-CG 3.95Å; L119-Y124 HydrophobicContact CB-CD2 4.35Å; L119-Y124 HydrophobicContact CD2-CD2 3.74Å; L119-Y124 HydrophobicContact CD2-CE2 4.15Å; L119-Y124 HydrophobicContact CD2-CG 4.16Å; L119-Y124 WeakPolarHBondContact O-CB 3.25Å; L119-Y124 WeakPolarHBondContact O-CD2 3.28Å; L119-Y124 PolarHBondContact O-N 3.24Å; L119-Y124 VanDerWaalsContact O-N 3.09Å; N122-Y124 VanDerWaalsContact C-N 3.27Å; N122-Y124 HydrophobicContact CB-CD2 3.93Å; N122-Y124 HydrophobicContact CB-CE2 3.91Å; N122-Y124 WeakPolarHBondContact O-CD2 3.47Å; N122-Y124 PolarHBondContact O-N 3.35Å; Y124-L405 HydrophobicContact CD2-CD2 4.37Å; Y124-L405 HydrophobicContact CE2-CD2 3.79Å; Y124-L408 HydrophobicContact CE1-CB 3.98Å; Y124-L408 HydrophobicContact CE1-CD1 4.42Å; Y124-L408 VanDerWaalsContact OH-CB 3.29Å; Y124-L408 WeakPolarHBondContact OH-CB 3.42Å; Y124-S409 PolarHBondContact OH-N 3.27Å | ||
| 125 | D | 96.9 | Very high | 97.4 | Very high | 4 Ų | 4 | 16.2 Ų | 16.2 | 2% | 0.021 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 107.3 | 166.9 | -177.6 | 18.7 | 0 | 0 | 0 | 109.1 | R78 Q90 K91 V92 V93 W127 T174 | R78-D125 WeakPolarHBondContact CG-OD1 3.23Å; R78-D125 IonicContact CZ-OD1 2.88Å; R78-D125 IonicContact CZ-OD2 3.62Å; R78-D125 IonicContact NE-OD1 2.71Å; R78-D125 PolarHBondContact NE-OD1 2.86Å; R78-D125 IonicContact NE-OD2 3.51Å; R78-D125 PolarHBondContact NE-OD2 3.26Å; R78-D125 VanDerWaalsContact NH2-CG 3.35Å; R78-D125 IonicContact NH2-OD1 3.63Å; R78-D125 PolarHBondContact NH2-OD1 2.73Å; R78-D125 IonicContact NH2-OD2 3.07Å; R78-D125 PolarHBondContact NH2-OD2 3.12Å; Q90-D125 HydrophobicContact CB-CB 4.27Å; K91-D125 PolarHBondContact O-N 3.25Å; V92-D125 WeakPolarHBondContact CA-O 3.41Å; V92-D125 HydrophobicContact CG2-CB 4.27Å; V93-D125 PolarHBondContact N-O 3.18Å; D125-W127 PolarHBondContact OD1-NE1 3.46Å; D125-W127 PolarHBondContact OD2-NE1 3.42Å; D125-T174 WeakPolarHBondContact OD2-CG2 3.49Å |
| 126 | V | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 123.3 | -164.9 | -172.9 | 0 | 0 | 0 | 0 | 110.7 | R78 I79 L95 L119 A120 L128 | R78-V126 CarbonylContact C-O 3.56Å; R78-V126 VanDerWaalsContact CA-O 3.28Å; R78-V126 WeakPolarHBondContact CA-O 3.41Å; I79-V126 HydrophobicContact CB-CB 4.24Å; I79-V126 PolarHBondContact N-O 3.48Å; I79-V126 PolarHBondContact O-N 2.83Å; L95-V126 HydrophobicContact CD1-CG1 3.86Å; L95-V126 HydrophobicContact CG-CG1 4.19Å; L119-V126 HydrophobicContact CB-CG2 3.49Å; L119-V126 VanDerWaalsContact CB-CG2 3.49Å; L119-V126 HydrophobicContact CD1-CG1 4.49Å; A120-V126 HydrophobicContact CB-CG2 4.21Å; V126-L128 HydrophobicContact CG1-CD2 3.79Å |
| 127 | W | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 131.6 | 177.2 | -70 | 76.9 | 0 | 0 | 0 | 110.4 | H64 I76 I77 R78 V93 F94 L95 D125 Y169 V170 H173 T174 | H64-W127 HydrophobicContact CB-CZ3 4.2Å; H64-W127 AromaticContact CD2-CH2 3.65Å; H64-W127 AromaticContact CD2-CZ3 3.42Å; H64-W127 VanDerWaalsContact CD2-CZ3 3.42Å; H64-W127 WeakPolarHBondContact CD2-CZ3 3.45Å; H64-W127 AromaticContact CE1-CH2 3.71Å; H64-W127 AromaticContact CG-CH2 3.95Å; H64-W127 AromaticContact CG-CZ3 3.71Å; H64-W127 AromaticContact ND1-CH2 3.98Å; H64-W127 AromaticContact NE2-CH2 3.48Å; H64-W127 WeakPolarHBondContact NE2-CH2 3.34Å; H64-W127 AromaticContact NE2-CZ3 3.78Å; I76-W127 HydrophobicContact CD1-CE3 3.72Å; I76-W127 HydrophobicContact CD1-CZ3 3.75Å; I76-W127 HydrophobicContact CG1-CE3 4.11Å; I76-W127 HydrophobicContact CG1-CZ3 4.09Å; I77-W127 CarbonylContact O-C 3.5Å; I77-W127 WeakPolarHBondContact O-CA 3.39Å; R78-W127 HydrophobicContact CB-CD2 4.01Å; R78-W127 HydrophobicContact CB-CE3 3.99Å; R78-W127 HydrophobicContact CB-CH2 4.24Å; R78-W127 HydrophobicContact CB-CZ2 4.22Å; R78-W127 HydrophobicContact CB-CZ3 4.12Å; R78-W127 VanDerWaalsContact CD-CZ2 3.43Å; R78-W127 HydrophobicContact CG-CD2 3.94Å; R78-W127 HydrophobicContact CG-CE3 4.4Å; R78-W127 HydrophobicContact CG-CG 4.4Å; R78-W127 HydrophobicContact CG-CH2 4.37Å; R78-W127 HydrophobicContact CG-CZ2 3.86Å; V93-W127 PolarHBondContact O-N 2.89Å; F94-W127 CarbonylContact C-O 3.55Å; F94-W127 WeakPolarHBondContact CA-O 3.43Å; F94-W127 HydrophobicContact CD2-CB 3.72Å; F94-W127 HydrophobicContact CE2-CB 4.33Å; F94-W127 HydrophobicContact CG-CB 4.5Å; L95-W127 PolarHBondContact N-O 2.99Å; D125-W127 PolarHBondContact OD1-NE1 3.46Å; D125-W127 PolarHBondContact OD2-NE1 3.42Å; W127-Y169 HydrophobicContact CH2-CE1 4.2Å; W127-Y169 HydrophobicContact CZ3-CD1 4.42Å; W127-Y169 HydrophobicContact CZ3-CE1 4.2Å; W127-V170 HydrophobicContact CB-CG2 4.35Å; W127-V170 HydrophobicContact CD2-CB 4.31Å; W127-V170 HydrophobicContact CD2-CG1 3.89Å; W127-V170 HydrophobicContact CD2-CG2 3.49Å; W127-V170 VanDerWaalsContact CD2-CG2 3.49Å; W127-V170 HydrophobicContact CE3-CG2 3.42Å; W127-V170 VanDerWaalsContact CE3-CG2 3.42Å; W127-V170 HydrophobicContact CG-CG1 3.88Å; W127-V170 HydrophobicContact CG-CG2 3.93Å; W127-V170 HydrophobicContact CH2-CG2 4.32Å; W127-V170 HydrophobicContact CZ2-CG1 4.36Å; W127-V170 HydrophobicContact CZ2-CG2 4.41Å; W127-V170 HydrophobicContact CZ3-CG2 3.86Å; W127-H173 HydrophobicContact CH2-CB 4.42Å; W127-H173 AromaticContact CH2-CD2 3.76Å; W127-H173 AromaticContact CZ2-CD2 3.72Å; W127-T174 HydrophobicContact CZ2-CG2 3.85Å |
| 128 | L | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 113.2 | -178.5 | -43.1 | -177.6 | 0 | 0 | 0 | 108.8 | I50 I76 I77 I79 L95 A103 W106 V107 V126 | I50-L128 HydrophobicContact CD1-CD1 3.98Å; I76-L128 WeakPolarHBondContact CA-O 3.3Å; I76-L128 WeakPolarHBondContact CB-O 3.29Å; I77-L128 HydrophobicContact CB-CB 4.26Å; I77-L128 HydrophobicContact CB-CD1 4.35Å; I77-L128 HydrophobicContact CB-CG 4.47Å; I77-L128 HydrophobicContact CG2-CD1 4.48Å; I77-L128 PolarHBondContact N-O 3.4Å; I77-L128 PolarHBondContact O-N 3.03Å; I79-L128 HydrophobicContact CD1-CD1 4.01Å; I79-L128 HydrophobicContact CG1-CD1 4.33Å; L95-L128 HydrophobicContact CB-CD2 3.96Å; L95-L128 HydrophobicContact CD1-CD2 3.6Å; L95-L128 HydrophobicContact CG-CD2 4.03Å; A103-L128 HydrophobicContact CB-CB 3.65Å; A103-L128 HydrophobicContact CB-CD1 4.27Å; W106-L128 HydrophobicContact CB-CD2 4.03Å; W106-L128 HydrophobicContact CG-CD2 4.23Å; V107-L128 HydrophobicContact CG1-CD1 4.28Å; V126-L128 HydrophobicContact CG1-CD2 3.79Å |
| 129 | G | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 148.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L95 H97 | L95-G129 PolarHBondContact O-N 3.45Å; H97-G129 PolarHBondContact CD2-O 2.93Å |
| 130 | N | 98.7 | Very high | 97.1 | Very high | 3 Ų | 3 | 24.6 Ų | 24.6 | 2% | 0.016 | 14% | 0.136 | C | C | . | . | trans | -125.9 | 124.8 | 166.3 | -75.9 | -64.4 | 0 | 0 | 0 | 109.9 | C75 H97 S102 A103 Y136 S137 | C75-N130 WeakPolarHBondContact O-CB 3.49Å; C75-N130 PolarHBondContact O-ND2 2.82Å; H97-N130 WeakPolarHBondContact NE2-CA 3.32Å; S102-N130 WeakPolarHBondContact CB-OD1 3.39Å; A103-N130 WeakPolarHBondContact CB-OD1 3.46Å; A103-N130 PolarHBondContact N-OD1 2.64Å; N130-Y136 WeakPolarHBondContact ND2-CB 3.36Å; N130-S137 VanDerWaalsContact CB-OG 3.24Å; N130-S137 WeakPolarHBondContact CB-OG 3.45Å; N130-S137 PolarHBondContact O-OG 2.91Å; N130-S137 VanDerWaalsContact O-OG 3.05Å | ||
| 131 | S | 98.8 | Very high | 97.1 | Very high | 5 Ų | 5 | 29.4 Ų | 29.4 | 4% | 0.035 | 16% | 0.158 | C | C | . | . | trans | -72.4 | 149.5 | 177.9 | -59.4 | 0 | 0 | 0 | 0 | 112.2 | Q96 H97 S134 S137 | Q96-S131 PolarHBondContact NE2-OG 3.27Å; H97-S131 PolarHBondContact NE2-N 3.05Å; H97-S131 VanDerWaalsContact NE2-N 3.11Å; S131-S134 VanDerWaalsContact O-CB 3.25Å; S131-S134 WeakPolarHBondContact O-CB 3.26Å; S131-S134 PolarHBondContact O-N 3.36Å; S131-S134 VanDerWaalsContact O-N 3.11Å; S131-S134 PolarHBondContact O-OG 2.93Å; S131-S137 VanDerWaalsContact O-CB 3.27Å; S131-S137 WeakPolarHBondContact O-CB 3.4Å | ||
| 132 | R | 98.7 | Very high | 97.1 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.4 | 138.8 | 172.7 | 63 | -179 | 62.6 | -155.5 | -9.1 | 113 | D70 F72 L74 S134 F153 M158 Y161 D162 | D70-R132 IonicContact OD1-CZ 3.35Å; D70-R132 IonicContact OD1-NH1 3.89Å; D70-R132 IonicContact OD1-NH2 3.77Å; D70-R132 PolarHBondContact OD1-NH2 3.42Å; D70-R132 IonicContact OD2-CZ 2.75Å; D70-R132 IonicContact OD2-NH1 2.84Å; D70-R132 PolarHBondContact OD2-NH1 2.86Å; D70-R132 IonicContact OD2-NH2 3.79Å; D70-R132 PolarHBondContact OD2-NH2 2.91Å; F72-R132 HydrophobicContact CB-CB 4.46Å; F72-R132 HydrophobicContact CD1-CB 3.54Å; F72-R132 VanDerWaalsContact CD2-NH1 3.31Å; F72-R132 HydrophobicContact CE1-CB 3.83Å; F72-R132 VanDerWaalsContact CE2-NH1 3.26Å; F72-R132 HydrophobicContact CG-CB 3.93Å; F72-R132 HydrophobicContact CZ-CB 4.46Å; L74-R132 HydrophobicContact CD2-CB 4.03Å; R132-S134 PolarHBondContact O-N 3.11Å; R132-F153 VanDerWaalsContact CD-CG 3.41Å; R132-F153 HydrophobicContact CG-CD1 4.25Å; R132-F153 HydrophobicContact CG-CD2 3.65Å; R132-F153 HydrophobicContact CG-CE1 4.25Å; R132-F153 HydrophobicContact CG-CE2 3.68Å; R132-F153 HydrophobicContact CG-CG 3.97Å; R132-F153 HydrophobicContact CG-CZ 3.98Å; R132-F153 WeakPolarHBondContact O-CZ 3.42Å; R132-M158 HydrophobicContact CG-CE 4.04Å; R132-M158 HydrophobicContact CG-CG 3.98Å; R132-Y161 VanDerWaalsContact NH2-CB 3.29Å; R132-D162 WeakPolarHBondContact CB-OD2 3.17Å; R132-D162 WeakPolarHBondContact CG-OD2 3.48Å; R132-D162 IonicContact CZ-OD1 3.32Å; R132-D162 PolarHBondContact N-OD2 3.43Å; R132-D162 IonicContact NE-OD1 3.91Å; R132-D162 PolarHBondContact NE-OD1 3.49Å; R132-D162 IonicContact NE-OD2 3.17Å; R132-D162 PolarHBondContact NE-OD2 3Å; R132-D162 IonicContact NH2-OD1 3.82Å; R132-D162 PolarHBondContact NH2-OD1 2.92Å |
| 133 | G | 97 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 2.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | S137 S138 G300 | G133-S137 PolarHBondContact N-O 3.03Å; G133-S138 WeakPolarHBondContact CA-OG 3.32Å; G133-S138 PolarHBondContact O-OG 3.13Å; G133-G300 CarbonylContact O-C 3.59Å |
| 134 | S | 96.1 | Very high | 97.3 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.014 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -77.6 | 167.2 | 164.2 | 69.7 | 0 | 0 | 0 | 0 | 110.9 | S131 R132 Y136 S137 S138 A299 | S131-S134 VanDerWaalsContact O-CB 3.25Å; S131-S134 WeakPolarHBondContact O-CB 3.26Å; S131-S134 PolarHBondContact O-N 3.36Å; S131-S134 VanDerWaalsContact O-N 3.11Å; S131-S134 PolarHBondContact O-OG 2.93Å; R132-S134 PolarHBondContact O-N 3.11Å; S134-Y136 PolarHBondContact O-N 2.85Å; S134-S137 CarbonylContact O-C 3.5Å; S134-S137 PolarHBondContact O-N 3.21Å; S134-S138 PolarHBondContact O-N 3Å; S134-S138 PolarHBondContact O-OG 3.34Å; S134-A299 CarbonylContact C-O 3.6Å; S134-A299 VanDerWaalsContact C-O 3.31Å; S134-A299 VanDerWaalsContact CA-O 3.25Å; S134-A299 WeakPolarHBondContact CA-O 3.09Å |
| 135 | T | 93.2 | Very high | 97.2 | Very high | 91 Ų | 91 | 39.5 Ų | 39.5 | 56% | 0.558 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -48.9 | -35.7 | -174.4 | -59.2 | 0 | 0 | 0 | 0 | 113.3 | A299 | T135-A299 PolarHBondContact N-O 3.36Å; T135-A299 WeakPolarHBondContact OG1-CA 3.1Å; T135-A299 PolarHBondContact OG1-O 2.98Å |
| 136 | Y | 95.5 | Very high | 96.9 | Very high | 42 Ų | 42 | 44.8 Ų | 44.8 | 17% | 0.165 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -8.1 | -177.1 | -57.6 | -78.7 | 0 | 0 | 0 | 113.8 | N49 I50 C75 N130 S134 | N49-Y136 HydrophobicContact CB-CE1 4.46Å; I50-Y136 HydrophobicContact CB-CE1 4.3Å; I50-Y136 HydrophobicContact CB-CE2 4.44Å; I50-Y136 HydrophobicContact CG2-CD1 4.3Å; I50-Y136 HydrophobicContact CG2-CE1 3.65Å; I50-Y136 HydrophobicContact CG2-CE2 4.34Å; I50-Y136 PolarHBondContact N-OH 3.38Å; C75-Y136 WeakPolarHBondContact CB-O 3.41Å; N130-Y136 WeakPolarHBondContact ND2-CB 3.36Å; S134-Y136 PolarHBondContact O-N 2.85Å |
| 137 | S | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -132.4 | 40.5 | -172.3 | -66.4 | 0 | 0 | 0 | 0 | 112.2 | L74 C75 N130 S131 G133 S134 | L74-S137 WeakPolarHBondContact CA-OG 3.42Å; C75-S137 PolarHBondContact N-OG 3.38Å; N130-S137 VanDerWaalsContact CB-OG 3.24Å; N130-S137 WeakPolarHBondContact CB-OG 3.45Å; N130-S137 PolarHBondContact O-OG 2.91Å; N130-S137 VanDerWaalsContact O-OG 3.05Å; S131-S137 VanDerWaalsContact O-CB 3.27Å; S131-S137 WeakPolarHBondContact O-CB 3.4Å; G133-S137 PolarHBondContact N-O 3.03Å; S134-S137 CarbonylContact O-C 3.5Å; S134-S137 PolarHBondContact O-N 3.21Å | ||
| 138 | S | 95.5 | Very high | 96.3 | Very high | 31 Ų | 31 | 51.9 Ų | 51.9 | 22% | 0.217 | 25% | 0.252 | C | S | . | . | trans | -102.5 | 36.7 | 178.6 | -70.3 | 0 | 0 | 0 | 0 | 113.1 | G133 S134 P145 | G133-S138 WeakPolarHBondContact CA-OG 3.32Å; G133-S138 PolarHBondContact O-OG 3.13Å; S134-S138 PolarHBondContact O-N 3Å; S134-S138 PolarHBondContact O-OG 3.34Å; S138-P145 VanDerWaalsContact O-CG 3.29Å; S138-P145 WeakPolarHBondContact O-CG 3.42Å | ||
| 139 | N | 96.9 | Very high | 96.2 | Very high | 96 Ų | 96 | 57.3 Ų | 57.3 | 51% | 0.513 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 152.3 | 175.6 | -80.8 | -27.8 | 0 | 0 | 0 | 111.3 | I73 | I73-N139 HydrophobicContact CB-CB 4.02Å; I73-N139 HydrophobicContact CD1-CB 4.47Å; I73-N139 PolarHBondContact N-O 3.47Å |
| 140 | H | 98.4 | Very high | 96.1 | Very high | 26 Ų | 26 | 57.3 Ų | 57.3 | 12% | 0.12 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 152.5 | 179.7 | -165.7 | -87.1 | 0 | 0 | 0 | 110.5 | D70 G71 F72 Y142 L143 F150 | D70-H140 PolarHBondContact O-CE1 3.28Å; D70-H140 VanDerWaalsContact O-CE1 3.31Å; D70-H140 PolarHBondContact O-NE2 3.42Å; G71-H140 CarbonylContact O-C 3.56Å; G71-H140 VanDerWaalsContact O-CA 3.28Å; G71-H140 WeakPolarHBondContact O-CA 3.47Å; G71-H140 PolarHBondContact O-CD2 3.14Å; F72-H140 AromaticContact CD2-CD2 3.47Å; F72-H140 VanDerWaalsContact CD2-CD2 3.47Å; F72-H140 WeakPolarHBondContact CD2-CD2 3.2Å; F72-H140 AromaticContact CD2-NE2 3.84Å; F72-H140 AromaticContact CE2-CD2 3.65Å; F72-H140 AromaticContact CE2-NE2 3.93Å; F72-H140 AromaticContact CG-CD2 3.68Å; F72-H140 PolarHBondContact N-CD2 2.62Å; H140-Y142 VanDerWaalsContact C-N 3.3Å; H140-Y142 PolarHBondContact ND1-N 3.16Å; H140-Y142 VanDerWaalsContact ND1-N 3.19Å; H140-Y142 PolarHBondContact O-N 3.04Å; H140-L143 HydrophobicContact CB-CB 4.08Å; H140-L143 WeakPolarHBondContact CB-O 3.29Å; H140-L143 PolarHBondContact ND1-N 3.23Å; H140-L143 VanDerWaalsContact ND1-N 3.18Å; H140-F150 HydrophobicContact CB-CD2 3.97Å; H140-F150 HydrophobicContact CB-CE2 3.7Å |
| 141 | Q | 98 | Very high | 96 | Very high | 100 Ų | 100 | 57.9 Ų | 57.9 | 47% | 0.467 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -65.9 | -32.3 | -178.7 | -71.1 | -173 | -56.2 | 0 | 0 | 113.2 | T67 G71 I73 | T67-Q141 VanDerWaalsContact CG2-CD 3.45Å; T67-Q141 HydrophobicContact CG2-CG 3.9Å; G71-Q141 PolarHBondContact O-N 2.97Å; I73-Q141 HydrophobicContact CD1-CG 4.43Å; I73-Q141 HydrophobicContact CG1-CG 4.43Å |
| 142 | Y | 97.2 | Very high | 95.9 | Very high | 182 Ų | 182 | 61.3 Ų | 61.3 | 71% | 0.714 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -127.1 | -20.4 | -170.6 | -48.9 | -64.9 | 0 | 0 | 0 | 114.9 | H140 | H140-Y142 VanDerWaalsContact C-N 3.3Å; H140-Y142 PolarHBondContact ND1-N 3.16Å; H140-Y142 VanDerWaalsContact ND1-N 3.19Å; H140-Y142 PolarHBondContact O-N 3.04Å |
| 143 | L | 97 | Very high | 95.8 | Very high | 49 Ų | 49 | 61.3 Ų | 61.3 | 26% | 0.257 | 30% | 0.295 | S | S | . | . | trans | -112.4 | 153.2 | -172.7 | -61.3 | 175.3 | 0 | 0 | 0 | 108.3 | H140 E149 F150 | H140-L143 HydrophobicContact CB-CB 4.08Å; H140-L143 WeakPolarHBondContact CB-O 3.29Å; H140-L143 PolarHBondContact ND1-N 3.23Å; H140-L143 VanDerWaalsContact ND1-N 3.18Å; L143-E149 HydrophobicContact CD1-CB 4.16Å; L143-E149 HydrophobicContact CD2-CB 4.27Å; L143-F150 HydrophobicContact CB-CB 4.32Å; L143-F150 HydrophobicContact CB-CD2 4Å | ||
| 144 | R | 95.7 | Very high | 95.9 | Very high | 135 Ų | 135 | 61.3 Ų | 61.3 | 51% | 0.509 | 30% | 0.295 | S | S | . | . | trans | -110.8 | 154.8 | 174.1 | -57.9 | 174 | -59.6 | 145.9 | 18.5 | 109.3 | D146 D147 F150 | R144-D146 WeakPolarHBondContact CB-OD1 3.5Å; R144-D146 IonicContact CZ-OD1 3.7Å; R144-D146 VanDerWaalsContact CZ-OD1 3.25Å; R144-D146 IonicContact CZ-OD2 3.7Å; R144-D146 IonicContact NE-OD1 2.59Å; R144-D146 PolarHBondContact NE-OD1 2.82Å; R144-D146 IonicContact NE-OD2 2.86Å; R144-D146 IonicContact NH1-OD1 2.91Å; R144-D146 IonicContact NH1-OD2 3.28Å; R144-D146 PolarHBondContact NH1-OD2 3.27Å; R144-D146 VanDerWaalsContact NH2-CG 3.29Å; R144-D146 IonicContact NH2-OD1 2.64Å; R144-D146 PolarHBondContact NH2-OD1 3.19Å; R144-D146 IonicContact NH2-OD2 3.39Å; R144-D146 PolarHBondContact NH2-OD2 2.95Å; R144-D146 PolarHBondContact O-N 3.4Å; R144-D147 WeakPolarHBondContact CB-OD2 3.23Å; R144-D147 IonicContact CZ-OD1 2.76Å; R144-D147 PolarHBondContact N-OD2 2.99Å; R144-D147 IonicContact NE-OD1 3.52Å; R144-D147 IonicContact NE-OD2 3.43Å; R144-D147 IonicContact NH2-OD1 3.8Å; R144-D147 PolarHBondContact NH2-OD1 3.39Å; R144-D147 WeakPolarHBondContact O-CB 3.28Å; R144-D147 PolarHBondContact O-N 2.95Å; R144-F150 WeakPolarHBondContact O-CB 3.35Å | ||
| 145 | P | 93.8 | Very high | 96 | Very high | 62 Ų | 62 | 61.5 Ų | 61.5 | 40% | 0.403 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -17.8 | 177.8 | -28.2 | 37.4 | 0 | 0 | 0 | 115.2 | S138 F150 W151 | S138-P145 VanDerWaalsContact O-CG 3.29Å; S138-P145 WeakPolarHBondContact O-CG 3.42Å; P145-F150 HydrophobicContact CG-CE2 4.26Å; P145-F150 HydrophobicContact CG-CZ 4.28Å; P145-W151 PolarHBondContact O-NE1 2.86Å |
| 146 | D | 92.3 | Very high | 96.2 | Very high | 114 Ų | 114 | 57.4 Ų | 57.4 | 61% | 0.61 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -12.7 | 173.4 | 62.7 | -43.7 | 0 | 0 | 0 | 113.9 | R144 | R144-D146 WeakPolarHBondContact CB-OD1 3.5Å; R144-D146 IonicContact CZ-OD1 3.7Å; R144-D146 VanDerWaalsContact CZ-OD1 3.25Å; R144-D146 IonicContact CZ-OD2 3.7Å; R144-D146 IonicContact NE-OD1 2.59Å; R144-D146 PolarHBondContact NE-OD1 2.82Å; R144-D146 IonicContact NE-OD2 2.86Å; R144-D146 IonicContact NH1-OD1 2.91Å; R144-D146 IonicContact NH1-OD2 3.28Å; R144-D146 PolarHBondContact NH1-OD2 3.27Å; R144-D146 VanDerWaalsContact NH2-CG 3.29Å; R144-D146 IonicContact NH2-OD1 2.64Å; R144-D146 PolarHBondContact NH2-OD1 3.19Å; R144-D146 IonicContact NH2-OD2 3.39Å; R144-D146 PolarHBondContact NH2-OD2 2.95Å; R144-D146 PolarHBondContact O-N 3.4Å |
| 147 | D | 93.6 | Very high | 96.4 | Very high | 38 Ų | 38 | 56.6 Ų | 56.6 | 20% | 0.203 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -79.9 | 137 | 175.7 | -55.3 | -35.3 | 0 | 0 | 0 | 109.7 | R144 E149 F150 | R144-D147 WeakPolarHBondContact CB-OD2 3.23Å; R144-D147 IonicContact CZ-OD1 2.76Å; R144-D147 PolarHBondContact N-OD2 2.99Å; R144-D147 IonicContact NE-OD1 3.52Å; R144-D147 IonicContact NE-OD2 3.43Å; R144-D147 IonicContact NH2-OD1 3.8Å; R144-D147 PolarHBondContact NH2-OD1 3.39Å; R144-D147 WeakPolarHBondContact O-CB 3.28Å; R144-D147 PolarHBondContact O-N 2.95Å; D147-E149 VanDerWaalsContact C-N 3.3Å; D147-E149 PolarHBondContact O-N 3.12Å; D147-F150 VanDerWaalsContact O-CB 3.22Å; D147-F150 WeakPolarHBondContact O-CB 3.38Å; D147-F150 PolarHBondContact O-N 3.12Å |
| 148 | K | 91.5 | Very high | 96.4 | Very high | 112 Ų | 112 | 56.7 Ų | 56.7 | 49% | 0.487 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -65.4 | -38.5 | -175.7 | -175.4 | -173.9 | 173.1 | -167.3 | 0 | 111.5 | F150 W151 N243 | K148-F150 PolarHBondContact O-N 3.17Å; K148-W151 PolarHBondContact O-N 3.29Å; K148-N243 WeakPolarHBondContact CE-OD1 3.16Å |
| 149 | E | 94.9 | Very high | 96.5 | Very high | 113 Ų | 113 | 55.2 Ų | 55.2 | 53% | 0.528 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -59.3 | -28.4 | 179.5 | -65.7 | 79.2 | -178.7 | 0 | 0 | 111.9 | L143 D147 W151 E152 | L143-E149 HydrophobicContact CD1-CB 4.16Å; L143-E149 HydrophobicContact CD2-CB 4.27Å; D147-E149 VanDerWaalsContact C-N 3.3Å; D147-E149 PolarHBondContact O-N 3.12Å; E149-W151 PolarHBondContact O-N 3.38Å; E149-E152 PolarHBondContact O-N 3.05Å |
| 150 | F | 97.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -58.2 | -30.1 | 174.9 | -174.6 | -81.4 | 0 | 0 | 0 | 112 | F72 H140 L143 R144 P145 D147 K148 F153 | F72-F150 HydrophobicContact CD1-CZ 4.3Å; F72-F150 HydrophobicContact CE1-CD1 4.39Å; F72-F150 HydrophobicContact CE1-CD2 4.44Å; F72-F150 AromaticContact CE1-CE1 3.96Å; F72-F150 HydrophobicContact CE1-CE1 3.96Å; F72-F150 HydrophobicContact CE1-CE2 4.03Å; F72-F150 AromaticContact CE1-CZ 3.73Å; F72-F150 HydrophobicContact CE1-CZ 3.73Å; F72-F150 VanDerWaalsContact CZ-O 3.3Å; F72-F150 WeakPolarHBondContact CZ-O 3.41Å; H140-F150 HydrophobicContact CB-CD2 3.97Å; H140-F150 HydrophobicContact CB-CE2 3.7Å; L143-F150 HydrophobicContact CB-CB 4.32Å; L143-F150 HydrophobicContact CB-CD2 4Å; R144-F150 WeakPolarHBondContact O-CB 3.35Å; P145-F150 HydrophobicContact CG-CE2 4.26Å; P145-F150 HydrophobicContact CG-CZ 4.28Å; D147-F150 VanDerWaalsContact O-CB 3.22Å; D147-F150 WeakPolarHBondContact O-CB 3.38Å; D147-F150 PolarHBondContact O-N 3.12Å; K148-F150 PolarHBondContact O-N 3.17Å; F150-F153 VanDerWaalsContact O-CD1 3.28Å; F150-F153 WeakPolarHBondContact O-CD1 3.48Å; F150-F153 WeakPolarHBondContact O-CE1 3.38Å |
| 151 | W | 97 | Very high | 96.6 | Very high | 15 Ų | 15 | 55.2 Ų | 55.2 | 6% | 0.057 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -103.1 | 9.1 | -175.3 | -60.5 | 99.8 | 0 | 0 | 0 | 113.5 | P145 K148 E149 F153 G244 E245 S302 | P145-W151 PolarHBondContact O-NE1 2.86Å; K148-W151 PolarHBondContact O-N 3.29Å; E149-W151 PolarHBondContact O-N 3.38Å; W151-F153 AromaticContact CE3-CE1 3.8Å; W151-F153 HydrophobicContact CE3-CE1 3.8Å; W151-F153 AromaticContact CE3-CZ 3.88Å; W151-F153 HydrophobicContact CE3-CZ 3.88Å; W151-F153 HydrophobicContact CZ3-CE1 4.35Å; W151-F153 HydrophobicContact CZ3-CZ 4.14Å; W151-F153 PolarHBondContact O-N 2.98Å; W151-G244 VanDerWaalsContact CB-C 3.42Å; W151-E245 HydrophobicContact CD2-CB 3.95Å; W151-E245 HydrophobicContact CE3-CB 4.13Å; W151-E245 HydrophobicContact CE3-CG 4.41Å; W151-E245 HydrophobicContact CH2-CB 3.76Å; W151-E245 HydrophobicContact CH2-CG 3.54Å; W151-E245 HydrophobicContact CZ2-CB 3.57Å; W151-E245 HydrophobicContact CZ2-CG 3.85Å; W151-E245 HydrophobicContact CZ3-CB 4.03Å; W151-E245 HydrophobicContact CZ3-CG 3.85Å; W151-S302 WeakPolarHBondContact O-CB 3.22Å |
| 152 | E | 96 | Very high | 96.7 | Very high | 78 Ų | 78 | 50.7 Ų | 50.7 | 36% | 0.364 | 23% | 0.231 | S | C | . | . | trans | -80.5 | 52.9 | 176.9 | -66.8 | -163.3 | 176.7 | 0 | 0 | 112.5 | E149 Q304 K327 | E149-E152 PolarHBondContact O-N 3.05Å; E152-Q304 PolarHBondContact O-NE2 3.19Å; E152-K327 IonicContact OE2-NZ 3.57Å | ||
| 153 | F | 97.7 | Very high | 96.7 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.009 | 20% | 0.197 | C | C | . | . | trans | -135 | 162 | 177.6 | 67.5 | -100.1 | 0 | 0 | 0 | 112.2 | F72 R132 F150 W151 E157 M158 S302 Q304 N305 | F72-F153 HydrophobicContact CE1-CD1 4.36Å; F72-F153 HydrophobicContact CE1-CE1 4.27Å; F72-F153 AromaticContact CZ-CD1 3.82Å; F72-F153 HydrophobicContact CZ-CD1 3.82Å; F72-F153 HydrophobicContact CZ-CE1 4.16Å; R132-F153 VanDerWaalsContact CD-CG 3.41Å; R132-F153 HydrophobicContact CG-CD1 4.25Å; R132-F153 HydrophobicContact CG-CD2 3.65Å; R132-F153 HydrophobicContact CG-CE1 4.25Å; R132-F153 HydrophobicContact CG-CE2 3.68Å; R132-F153 HydrophobicContact CG-CG 3.97Å; R132-F153 HydrophobicContact CG-CZ 3.98Å; R132-F153 WeakPolarHBondContact O-CZ 3.42Å; F150-F153 VanDerWaalsContact O-CD1 3.28Å; F150-F153 WeakPolarHBondContact O-CD1 3.48Å; F150-F153 WeakPolarHBondContact O-CE1 3.38Å; W151-F153 AromaticContact CE3-CE1 3.8Å; W151-F153 HydrophobicContact CE3-CE1 3.8Å; W151-F153 AromaticContact CE3-CZ 3.88Å; W151-F153 HydrophobicContact CE3-CZ 3.88Å; W151-F153 HydrophobicContact CZ3-CE1 4.35Å; W151-F153 HydrophobicContact CZ3-CZ 4.14Å; W151-F153 PolarHBondContact O-N 2.98Å; F153-E157 WeakPolarHBondContact CA-OE2 3.42Å; F153-E157 HydrophobicContact CB-CB 4.01Å; F153-E157 HydrophobicContact CB-CG 4.14Å; F153-M158 HydrophobicContact CD2-CE 3.87Å; F153-M158 HydrophobicContact CE2-CE 3.58Å; F153-S302 WeakPolarHBondContact CE2-OG 3.49Å; F153-S302 PolarHBondContact O-OG 3.38Å; F153-Q304 VanDerWaalsContact O-CB 3.29Å; F153-Q304 WeakPolarHBondContact O-CB 3.38Å; F153-Q304 WeakPolarHBondContact O-CG 3.38Å; F153-N305 PolarHBondContact O-N 3.03Å | ||
| 154 | S | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -135.3 | -169.8 | 167.7 | 72.3 | 0 | 0 | 0 | 0 | 110.5 | D156 E157 M158 H308 | S154-D156 PolarHBondContact O-N 3.1Å; S154-D156 VanDerWaalsContact O-N 3.16Å; S154-D156 WeakPolarHBondContact OG-CB 3.06Å; S154-D156 PolarHBondContact OG-N 3.15Å; S154-E157 PolarHBondContact N-OE2 3.48Å; S154-E157 PolarHBondContact O-N 3.44Å; S154-E157 PolarHBondContact OG-OE2 2.95Å; S154-M158 PolarHBondContact O-N 2.86Å; S154-H308 PolarHBondContact OG-ND1 2.78Å | ||
| 155 | W | 98.4 | Very high | 97 | Very high | 6 Ų | 6 | 35.3 Ų | 35.3 | 2% | 0.023 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.5 | -17.7 | 170.2 | 60.7 | -98.6 | 0 | 0 | 0 | 113.2 | M158 G159 Q186 Q189 I190 A193 N305 H308 Y309 F318 Q319 Y340 | W155-M158 HydrophobicContact CB-SD 4.42Å; W155-M158 PolarHBondContact O-N 3.13Å; W155-G159 PolarHBondContact O-N 3.13Å; W155-Q186 HydrophobicContact CB-CG 4.05Å; W155-Q189 HydrophobicContact CD2-CG 4.01Å; W155-Q189 HydrophobicContact CE3-CG 3.91Å; W155-Q189 VanDerWaalsContact CZ2-NE2 3.26Å; W155-Q189 HydrophobicContact CZ3-CG 4.22Å; W155-I190 HydrophobicContact CB-CG1 4.31Å; W155-A193 HydrophobicContact CE3-CB 4.39Å; W155-A193 HydrophobicContact CZ3-CB 4.04Å; W155-N305 VanDerWaalsContact CD1-OD1 3.29Å; W155-N305 PolarHBondContact N-OD1 2.69Å; W155-H308 AromaticContact CD1-ND1 3.82Å; W155-H308 AromaticContact CE2-CE1 3.33Å; W155-H308 AromaticContact CE2-CG 3.87Å; W155-H308 AromaticContact CE2-ND1 3.38Å; W155-H308 AromaticContact CE2-NE2 3.82Å; W155-H308 AromaticContact CH2-CE1 3.87Å; W155-H308 AromaticContact CZ2-CE1 3.16Å; W155-H308 WeakPolarHBondContact CZ2-CE1 3.48Å; W155-H308 AromaticContact CZ2-ND1 3.73Å; W155-H308 AromaticContact CZ2-NE2 3.36Å; W155-H308 WeakPolarHBondContact CZ2-NE2 3.38Å; W155-H308 AromaticContact NE1-CD2 3.81Å; W155-H308 AromaticContact NE1-CE1 3.58Å; W155-H308 AromaticContact NE1-CG 3.29Å; W155-H308 VanDerWaalsContact NE1-CG 3.29Å; W155-H308 AromaticContact NE1-ND1 3.17Å; W155-H308 PolarHBondContact NE1-ND1 3.12Å; W155-H308 VanDerWaalsContact NE1-ND1 3.17Å; W155-H308 AromaticContact NE1-NE2 3.97Å; W155-Y309 AromaticContact CD1-CE2 3.83Å; W155-F318 HydrophobicContact CE3-CE2 4.49Å; W155-F318 AromaticContact CH2-CD2 3.95Å; W155-F318 HydrophobicContact CH2-CD2 3.95Å; W155-F318 AromaticContact CH2-CE2 3.5Å; W155-F318 HydrophobicContact CH2-CE2 3.5Å; W155-F318 HydrophobicContact CH2-CZ 4.28Å; W155-F318 HydrophobicContact CZ2-CE2 4.33Å; W155-F318 HydrophobicContact CZ3-CD2 4.47Å; W155-F318 AromaticContact CZ3-CE2 3.59Å; W155-F318 HydrophobicContact CZ3-CE2 3.59Å; W155-F318 HydrophobicContact CZ3-CZ 4.02Å; W155-Q319 WeakPolarHBondContact CH2-O 3.43Å; W155-Q319 WeakPolarHBondContact CZ2-O 3.23Å; W155-Y340 AromaticContact CH2-CD2 3.92Å; W155-Y340 HydrophobicContact CH2-CD2 3.92Å; W155-Y340 AromaticContact CH2-CE2 3.5Å; W155-Y340 HydrophobicContact CH2-CE2 3.5Å; W155-Y340 HydrophobicContact CZ3-CD2 4.03Å; W155-Y340 AromaticContact CZ3-CE2 3.39Å; W155-Y340 HydrophobicContact CZ3-CE2 3.39Å |
| 156 | D | 98 | Very high | 97.2 | Very high | 4 Ų | 4 | 32.5 Ų | 32.5 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.8 | -54.9 | 171.3 | -78.7 | -4.3 | 0 | 0 | 0 | 111.4 | S154 M158 G159 K160 H308 K320 Y321 Y340 | S154-D156 PolarHBondContact O-N 3.1Å; S154-D156 VanDerWaalsContact O-N 3.16Å; S154-D156 WeakPolarHBondContact OG-CB 3.06Å; S154-D156 PolarHBondContact OG-N 3.15Å; D156-M158 PolarHBondContact O-N 2.88Å; D156-G159 PolarHBondContact O-N 2.73Å; D156-G159 VanDerWaalsContact O-N 3.12Å; D156-K160 VanDerWaalsContact O-CB 3.27Å; D156-K160 WeakPolarHBondContact O-CB 3.43Å; D156-K160 PolarHBondContact O-N 3.02Å; D156-H308 VanDerWaalsContact CG-CE1 3.42Å; D156-H308 IonicContact OD1-CE1 2.62Å; D156-H308 PolarHBondContact OD1-CE1 2.92Å; D156-H308 IonicContact OD1-ND1 3.42Å; D156-H308 IonicContact OD2-CE1 3.91Å; D156-H308 PolarHBondContact OD2-CE1 3.31Å; D156-H308 IonicContact OD2-ND1 2.76Å; D156-K320 WeakPolarHBondContact OD2-CA 3.39Å; D156-K320 WeakPolarHBondContact OD2-CB 3.39Å; D156-Y321 PolarHBondContact OD2-N 3.18Å; D156-Y340 PolarHBondContact OD1-OH 3.47Å |
| 157 | E | 98.6 | Very high | 97.5 | Very high | 25 Ų | 25 | 27.1 Ų | 27.1 | 12% | 0.117 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.4 | -31.4 | 179.3 | -71.9 | 67.7 | -139.2 | 0 | 0 | 111.3 | F153 S154 K160 Y161 D162 Y323 | F153-E157 WeakPolarHBondContact CA-OE2 3.42Å; F153-E157 HydrophobicContact CB-CB 4.01Å; F153-E157 HydrophobicContact CB-CG 4.14Å; S154-E157 PolarHBondContact N-OE2 3.48Å; S154-E157 PolarHBondContact O-N 3.44Å; S154-E157 PolarHBondContact OG-OE2 2.95Å; E157-K160 PolarHBondContact O-N 2.88Å; E157-Y161 HydrophobicContact CB-CD2 4.07Å; E157-Y161 HydrophobicContact CG-CD2 4.29Å; E157-Y161 HydrophobicContact CG-CE2 4.28Å; E157-Y161 WeakPolarHBondContact O-CB 2.92Å; E157-Y161 PolarHBondContact O-N 3.29Å; E157-D162 PolarHBondContact O-N 3.34Å; E157-Y323 PolarHBondContact OE1-OH 3.03Å |
| 158 | M | 98.9 | Very high | 97.8 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | I | π-helix | trans | -63.4 | -43.4 | 171.9 | -61.3 | 171.6 | -171.4 | 0 | 0 | 111.6 | R132 F153 S154 W155 D156 D162 L163 Q186 I190 | R132-M158 HydrophobicContact CG-CE 4.04Å; R132-M158 HydrophobicContact CG-CG 3.98Å; F153-M158 HydrophobicContact CD2-CE 3.87Å; F153-M158 HydrophobicContact CE2-CE 3.58Å; S154-M158 PolarHBondContact O-N 2.86Å; W155-M158 HydrophobicContact CB-SD 4.42Å; W155-M158 PolarHBondContact O-N 3.13Å; D156-M158 PolarHBondContact O-N 2.88Å; M158-D162 HydrophobicContact CB-CB 4.42Å; M158-D162 WeakPolarHBondContact O-CB 2.9Å; M158-D162 PolarHBondContact O-N 3.34Å; M158-L163 PolarHBondContact O-N 3.49Å; M158-Q186 PolarHBondContact SD-NE2 3.01Å; M158-I190 HydrophobicContact CB-CD1 3.77Å; M158-I190 HydrophobicContact CB-CG1 3.81Å; M158-I190 HydrophobicContact CB-CG2 4.21Å; M158-I190 HydrophobicContact CG-CD1 4.35Å; M158-I190 HydrophobicContact SD-CD1 3.74Å; M158-I190 HydrophobicContact SD-CG1 4.4Å |
| 159 | G | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | I | π-helix | trans | -69.6 | -34.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | W155 D156 P164 C194 | W155-G159 PolarHBondContact O-N 3.13Å; D156-G159 PolarHBondContact O-N 2.73Å; D156-G159 VanDerWaalsContact O-N 3.12Å; G159-P164 WeakPolarHBondContact O-CD 3.46Å; G159-C194 WeakPolarHBondContact O-CA 3.39Å; G159-C194 WeakPolarHBondContact O-CB 3.31Å; G159-C194 PolarHBondContact O-SG 3.42Å |
| 160 | K | 98.2 | Very high | 98.3 | Very high | 79 Ų | 79 | 21 Ų | 21 | 34% | 0.343 | 10% | 0.099 | S | C | . | . | I | π-helix | trans | -80 | -35.8 | -176.8 | -171.7 | 179.8 | 178.1 | -163 | 0 | 113.6 | D156 E157 P164 | D156-K160 VanDerWaalsContact O-CB 3.27Å; D156-K160 WeakPolarHBondContact O-CB 3.43Å; D156-K160 PolarHBondContact O-N 3.02Å; E157-K160 PolarHBondContact O-N 2.88Å; K160-P164 WeakPolarHBondContact O-CG 3.39Å |
| 161 | Y | 98.7 | Very high | 98.3 | Very high | 43 Ų | 43 | 21.6 Ų | 21.6 | 17% | 0.169 | 10% | 0.102 | C | C | . | . | I | π-helix | trans | -125.9 | -49.2 | -169.3 | -60.8 | -60.4 | 0 | 0 | 0 | 113.3 | E69 D70 R132 E157 A165 | E69-Y161 HydrophobicContact CB-CD1 4.02Å; E69-Y161 HydrophobicContact CB-CE1 4.26Å; D70-Y161 HydrophobicContact CB-CD2 4.29Å; D70-Y161 HydrophobicContact CB-CE2 4.23Å; D70-Y161 HydrophobicContact CB-CG 4.5Å; R132-Y161 VanDerWaalsContact NH2-CB 3.29Å; E157-Y161 HydrophobicContact CB-CD2 4.07Å; E157-Y161 HydrophobicContact CG-CD2 4.29Å; E157-Y161 HydrophobicContact CG-CE2 4.28Å; E157-Y161 WeakPolarHBondContact O-CB 2.92Å; E157-Y161 PolarHBondContact O-N 3.29Å; Y161-A165 VanDerWaalsContact O-CB 3.24Å; Y161-A165 WeakPolarHBondContact O-CB 3.18Å; Y161-A165 PolarHBondContact O-N 3.21Å |
| 162 | D | 98.9 | Very high | 98.3 | Very high | 6 Ų | 6 | 26.4 Ų | 26.4 | 3% | 0.032 | 13% | 0.129 | C | C | . | . | I | π-helix | trans | -63.9 | -51.7 | -175.4 | -67.4 | 6.7 | 0 | 0 | 0 | 111.2 | L74 R132 E157 M158 A165 T166 | L74-D162 HydrophobicContact CD1-CB 3.59Å; R132-D162 WeakPolarHBondContact CB-OD2 3.17Å; R132-D162 WeakPolarHBondContact CG-OD2 3.48Å; R132-D162 IonicContact CZ-OD1 3.32Å; R132-D162 PolarHBondContact N-OD2 3.43Å; R132-D162 IonicContact NE-OD1 3.91Å; R132-D162 PolarHBondContact NE-OD1 3.49Å; R132-D162 IonicContact NE-OD2 3.17Å; R132-D162 PolarHBondContact NE-OD2 3Å; R132-D162 IonicContact NH2-OD1 3.82Å; R132-D162 PolarHBondContact NH2-OD1 2.92Å; E157-D162 PolarHBondContact O-N 3.34Å; M158-D162 HydrophobicContact CB-CB 4.42Å; M158-D162 WeakPolarHBondContact O-CB 2.9Å; M158-D162 PolarHBondContact O-N 3.34Å; D162-A165 PolarHBondContact O-N 2.76Å; D162-T166 WeakPolarHBondContact O-CB 3.28Å; D162-T166 WeakPolarHBondContact O-CG2 3.33Å; D162-T166 PolarHBondContact O-N 3.25Å; D162-T166 PolarHBondContact O-OG1 3.03Å |
| 163 | L | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68.7 | -46.2 | -173.8 | -171.8 | 61.1 | 0 | 0 | 0 | 112.5 | F94 M158 A165 T166 L167 Y181 I190 A191 C194 F195 | F94-L163 HydrophobicContact CE1-CD1 4.12Å; M158-L163 PolarHBondContact O-N 3.49Å; L163-A165 PolarHBondContact O-N 3.02Å; L163-T166 PolarHBondContact O-N 3.17Å; L163-T166 PolarHBondContact O-OG1 3.34Å; L163-L167 HydrophobicContact CD1-CD1 3.77Å; L163-L167 HydrophobicContact CD1-CD2 3.98Å; L163-L167 HydrophobicContact CD1-CG 3.63Å; L163-L167 HydrophobicContact CD2-CD1 4.39Å; L163-L167 HydrophobicContact CG-CD1 3.79Å; L163-L167 HydrophobicContact CG-CG 4.07Å; L163-L167 WeakPolarHBondContact O-CB 3.46Å; L163-L167 VanDerWaalsContact O-CG 3.26Å; L163-L167 WeakPolarHBondContact O-CG 3.03Å; L163-L167 PolarHBondContact O-N 2.91Å; L163-Y181 HydrophobicContact CD1-CD2 4.28Å; L163-Y181 HydrophobicContact CD1-CE2 3.5Å; L163-Y181 HydrophobicContact CD2-CE2 4.05Å; L163-Y181 HydrophobicContact CG-CE2 4.46Å; L163-I190 HydrophobicContact CB-CG2 3.84Å; L163-I190 HydrophobicContact CD2-CG2 3.93Å; L163-I190 HydrophobicContact CG-CG2 4.43Å; L163-A191 HydrophobicContact CD2-CB 4.14Å; L163-C194 HydrophobicContact CB-CB 4.29Å; L163-C194 HydrophobicContact CD2-CB 3.69Å; L163-C194 HydrophobicContact CG-CB 4.31Å; L163-F195 HydrophobicContact CD2-CE1 4.39Å; L163-F195 HydrophobicContact CD2-CZ 4.47Å |
| 164 | P | 98.7 | Very high | 98.3 | Very high | 17 Ų | 17 | 27.7 Ų | 27.7 | 11% | 0.11 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.2 | -45.1 | 173.6 | -28.1 | 37.4 | 0 | 0 | 0 | 113.3 | G159 K160 M168 I201 | G159-P164 WeakPolarHBondContact O-CD 3.46Å; K160-P164 WeakPolarHBondContact O-CG 3.39Å; P164-M168 WeakPolarHBondContact O-CB 3.49Å; P164-M168 VanDerWaalsContact O-CG 3.27Å; P164-M168 WeakPolarHBondContact O-CG 3.34Å; P164-M168 PolarHBondContact O-N 3.06Å; P164-I201 HydrophobicContact CB-CD1 4.34Å; P164-I201 HydrophobicContact CB-CG1 4.2Å |
| 165 | A | 98.8 | Very high | 98.1 | Very high | 24 Ų | 24 | 32.8 Ų | 32.8 | 20% | 0.198 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.7 | -46.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V66 T68 Y161 D162 L163 Y169 | V66-A165 HydrophobicContact CG1-CB 3.9Å; T68-A165 HydrophobicContact CG2-CB 4.22Å; Y161-A165 VanDerWaalsContact O-CB 3.24Å; Y161-A165 WeakPolarHBondContact O-CB 3.18Å; Y161-A165 PolarHBondContact O-N 3.21Å; D162-A165 PolarHBondContact O-N 2.76Å; L163-A165 PolarHBondContact O-N 3.02Å; A165-Y169 VanDerWaalsContact O-CB 3.32Å; A165-Y169 WeakPolarHBondContact O-CB 3.44Å; A165-Y169 PolarHBondContact O-N 2.75Å |
| 166 | T | 98.9 | Very high | 97.9 | Very high | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.018 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69 | -44.5 | -178.6 | 50.8 | 0 | 0 | 0 | 0 | 112.3 | V66 L74 I76 D162 L163 M168 Y169 V170 | V66-T166 HydrophobicContact CB-CG2 4.29Å; V66-T166 HydrophobicContact CG1-CG2 4.3Å; V66-T166 HydrophobicContact CG2-CG2 4.44Å; L74-T166 HydrophobicContact CB-CG2 4.5Å; L74-T166 HydrophobicContact CD1-CG2 3.77Å; I76-T166 HydrophobicContact CG2-CG2 3.7Å; D162-T166 WeakPolarHBondContact O-CB 3.28Å; D162-T166 WeakPolarHBondContact O-CG2 3.33Å; D162-T166 PolarHBondContact O-N 3.25Å; D162-T166 PolarHBondContact O-OG1 3.03Å; L163-T166 PolarHBondContact O-N 3.17Å; L163-T166 PolarHBondContact O-OG1 3.34Å; T166-M168 PolarHBondContact O-N 3.11Å; T166-Y169 PolarHBondContact O-N 3.36Å; T166-V170 VanDerWaalsContact O-CG2 3.31Å; T166-V170 WeakPolarHBondContact O-CG2 3.31Å; T166-V170 PolarHBondContact O-N 3.12Å |
| 167 | L | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.7 | -43.5 | 178.2 | -65.7 | -176.8 | 0 | 0 | 0 | 112.1 | F94 L163 Y169 V170 L171 L179 Y181 F195 I201 I205 | F94-L167 HydrophobicContact CB-CD2 4.12Å; F94-L167 HydrophobicContact CD1-CD2 4.05Å; F94-L167 HydrophobicContact CD2-CD2 3.92Å; F94-L167 HydrophobicContact CE1-CD2 4.43Å; F94-L167 HydrophobicContact CE2-CD2 4.32Å; F94-L167 HydrophobicContact CG-CD2 3.76Å; L163-L167 HydrophobicContact CD1-CD1 3.77Å; L163-L167 HydrophobicContact CD1-CD2 3.98Å; L163-L167 HydrophobicContact CD1-CG 3.63Å; L163-L167 HydrophobicContact CD2-CD1 4.39Å; L163-L167 HydrophobicContact CG-CD1 3.79Å; L163-L167 HydrophobicContact CG-CG 4.07Å; L163-L167 WeakPolarHBondContact O-CB 3.46Å; L163-L167 VanDerWaalsContact O-CG 3.26Å; L163-L167 WeakPolarHBondContact O-CG 3.03Å; L163-L167 PolarHBondContact O-N 2.91Å; L167-Y169 VanDerWaalsContact C-N 3.34Å; L167-Y169 PolarHBondContact O-N 2.72Å; L167-V170 PolarHBondContact O-N 2.02Å; L167-L171 VanDerWaalsContact O-CG 3.31Å; L167-L171 WeakPolarHBondContact O-CG 3.3Å; L167-L171 PolarHBondContact O-N 2.89Å; L167-L179 HydrophobicContact CD2-CD1 3.94Å; L167-L179 HydrophobicContact CD2-CD2 3.99Å; L167-Y181 HydrophobicContact CD2-CD2 4.34Å; L167-F195 HydrophobicContact CD1-CE1 4.19Å; L167-I201 HydrophobicContact CD1-CG2 3.76Å; L167-I205 HydrophobicContact CD1-CD1 4.01Å |
| 168 | M | 98.5 | Very high | 97.7 | Very high | 60 Ų | 60 | 45.3 Ų | 45.3 | 30% | 0.296 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.6 | -38.6 | 177.4 | -71.5 | -55.8 | -56.1 | 0 | 0 | 112.2 | P164 T166 V170 L171 N172 I201 F204 | P164-M168 WeakPolarHBondContact O-CB 3.49Å; P164-M168 VanDerWaalsContact O-CG 3.27Å; P164-M168 WeakPolarHBondContact O-CG 3.34Å; P164-M168 PolarHBondContact O-N 3.06Å; T166-M168 PolarHBondContact O-N 3.11Å; M168-V170 VanDerWaalsContact C-N 3.35Å; M168-L171 HydrophobicContact SD-CD1 4.28Å; M168-N172 WeakPolarHBondContact O-CB 3.38Å; M168-N172 VanDerWaalsContact O-CG 3.24Å; M168-N172 PolarHBondContact O-N 2.78Å; M168-N172 PolarHBondContact O-ND2 2.99Å; M168-I201 HydrophobicContact CG-CD1 3.47Å; M168-I201 VanDerWaalsContact CG-CD1 3.47Å; M168-I201 HydrophobicContact SD-CD1 3.49Å; M168-I201 WeakPolarHBondContact SD-CD1 3.23Å; M168-F204 HydrophobicContact CE-CE2 4.35Å; M168-F204 HydrophobicContact SD-CD2 4.02Å; M168-F204 HydrophobicContact SD-CE2 3.76Å |
| 169 | Y | 98.8 | Very high | 97.7 | Very high | 76 Ų | 76 | 45.2 Ų | 45.2 | 30% | 0.298 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.3 | -48.8 | 173.3 | -179.4 | -85.1 | 0 | 0 | 0 | 111 | H64 V66 I76 W127 A165 T166 L167 N172 H173 | H64-Y169 HydrophobicContact CB-CE1 3.63Å; H64-Y169 AromaticContact CG-CE1 3.75Å; H64-Y169 AromaticContact ND1-CE1 3.48Å; H64-Y169 WeakPolarHBondContact ND1-CE1 3.48Å; H64-Y169 AromaticContact ND1-CZ 3.63Å; H64-Y169 PolarHBondContact ND1-OH 3.48Å; V66-Y169 HydrophobicContact CG1-CG 4.5Å; V66-Y169 HydrophobicContact CG2-CD1 3.82Å; V66-Y169 HydrophobicContact CG2-CD2 3.86Å; V66-Y169 HydrophobicContact CG2-CE1 4.36Å; V66-Y169 HydrophobicContact CG2-CE2 4.37Å; V66-Y169 HydrophobicContact CG2-CG 3.55Å; I76-Y169 HydrophobicContact CD1-CD1 4.05Å; W127-Y169 HydrophobicContact CH2-CE1 4.2Å; W127-Y169 HydrophobicContact CZ3-CD1 4.42Å; W127-Y169 HydrophobicContact CZ3-CE1 4.2Å; A165-Y169 VanDerWaalsContact O-CB 3.32Å; A165-Y169 WeakPolarHBondContact O-CB 3.44Å; A165-Y169 PolarHBondContact O-N 2.75Å; T166-Y169 PolarHBondContact O-N 3.36Å; L167-Y169 VanDerWaalsContact C-N 3.34Å; L167-Y169 PolarHBondContact O-N 2.72Å; Y169-N172 PolarHBondContact O-N 3.1Å; Y169-H173 HydrophobicContact CE1-CB 4.27Å; Y169-H173 VanDerWaalsContact O-CB 3.27Å; Y169-H173 WeakPolarHBondContact O-CB 3.37Å; Y169-H173 PolarHBondContact O-N 3.12Å |
| 170 | V | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.6 | -47.6 | -178.9 | 170.8 | 0 | 0 | 0 | 0 | 111.9 | I76 V92 F94 W127 T166 L167 M168 N172 H173 T174 L179 | I76-V170 HydrophobicContact CD1-CG2 3.91Å; V92-V170 HydrophobicContact CG1-CG1 3.57Å; F94-V170 HydrophobicContact CD2-CG2 4.25Å; F94-V170 HydrophobicContact CE2-CG2 4.31Å; W127-V170 HydrophobicContact CB-CG2 4.35Å; W127-V170 HydrophobicContact CD2-CB 4.31Å; W127-V170 HydrophobicContact CD2-CG1 3.89Å; W127-V170 HydrophobicContact CD2-CG2 3.49Å; W127-V170 VanDerWaalsContact CD2-CG2 3.49Å; W127-V170 HydrophobicContact CE3-CG2 3.42Å; W127-V170 VanDerWaalsContact CE3-CG2 3.42Å; W127-V170 HydrophobicContact CG-CG1 3.88Å; W127-V170 HydrophobicContact CG-CG2 3.93Å; W127-V170 HydrophobicContact CH2-CG2 4.32Å; W127-V170 HydrophobicContact CZ2-CG1 4.36Å; W127-V170 HydrophobicContact CZ2-CG2 4.41Å; W127-V170 HydrophobicContact CZ3-CG2 3.86Å; T166-V170 VanDerWaalsContact O-CG2 3.31Å; T166-V170 WeakPolarHBondContact O-CG2 3.31Å; T166-V170 PolarHBondContact O-N 3.12Å; L167-V170 PolarHBondContact O-N 2.02Å; M168-V170 VanDerWaalsContact C-N 3.35Å; V170-N172 VanDerWaalsContact C-N 3.33Å; V170-N172 PolarHBondContact O-N 3.07Å; V170-H173 PolarHBondContact O-N 3.37Å; V170-T174 HydrophobicContact CG1-CG2 4.43Å; V170-T174 WeakPolarHBondContact O-CB 3.24Å; V170-T174 WeakPolarHBondContact O-CG2 3.46Å; V170-T174 PolarHBondContact O-N 3.35Å; V170-T174 PolarHBondContact O-OG1 3.1Å; V170-L179 HydrophobicContact CG1-CD2 4.09Å |
| 171 | L | 97.8 | Very high | 97.8 | Very high | 11 Ų | 11 | 41.4 Ų | 41.4 | 6% | 0.058 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59 | -45.2 | 178.4 | -69.4 | 163 | 0 | 0 | 0 | 111.3 | L167 M168 T174 D175 A176 L179 F204 | L167-L171 VanDerWaalsContact O-CG 3.31Å; L167-L171 WeakPolarHBondContact O-CG 3.3Å; L167-L171 PolarHBondContact O-N 2.89Å; M168-L171 HydrophobicContact SD-CD1 4.28Å; L171-T174 PolarHBondContact O-N 3.38Å; L171-D175 WeakPolarHBondContact O-CA 3.26Å; L171-D175 PolarHBondContact O-N 3.36Å; L171-A176 HydrophobicContact CD2-CB 4.34Å; L171-A176 VanDerWaalsContact CD2-O 3.26Å; L171-A176 WeakPolarHBondContact CD2-O 3.41Å; L171-A176 PolarHBondContact O-N 3.27Å; L171-L179 HydrophobicContact CD2-CB 4.47Å; L171-L179 HydrophobicContact CD2-CD2 3.88Å; L171-L179 HydrophobicContact CD2-CG 4.21Å; L171-L179 HydrophobicContact CG-CD2 3.91Å; L171-F204 HydrophobicContact CD1-CB 3.56Å; L171-F204 HydrophobicContact CD1-CD1 4.37Å; L171-F204 HydrophobicContact CD1-CD2 3.81Å; L171-F204 HydrophobicContact CD1-CG 3.68Å; L171-F204 HydrophobicContact CD2-CB 4.45Å |
| 172 | N | 97.5 | Very high | 97.8 | Very high | 117 Ų | 117 | 39.4 Ų | 39.4 | 63% | 0.626 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -69 | -34.7 | 178.3 | -71.2 | -19.3 | 0 | 0 | 0 | 112.9 | M168 Y169 V170 | M168-N172 WeakPolarHBondContact O-CB 3.38Å; M168-N172 VanDerWaalsContact O-CG 3.24Å; M168-N172 PolarHBondContact O-N 2.78Å; M168-N172 PolarHBondContact O-ND2 2.99Å; Y169-N172 PolarHBondContact O-N 3.1Å; V170-N172 VanDerWaalsContact C-N 3.33Å; V170-N172 PolarHBondContact O-N 3.07Å |
| 173 | H | 97.1 | Very high | 97.8 | Very high | 82 Ų | 82 | 39.1 Ų | 39.1 | 38% | 0.38 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -72 | -32.8 | 179.7 | -173.9 | 81.3 | 0 | 0 | 0 | 112.3 | H64 W127 Y169 V170 | H64-H173 AromaticContact CE1-CE1 3.56Å; H64-H173 AromaticContact CE1-NE2 3.55Å; W127-H173 HydrophobicContact CH2-CB 4.42Å; W127-H173 AromaticContact CH2-CD2 3.76Å; W127-H173 AromaticContact CZ2-CD2 3.72Å; Y169-H173 HydrophobicContact CE1-CB 4.27Å; Y169-H173 VanDerWaalsContact O-CB 3.27Å; Y169-H173 WeakPolarHBondContact O-CB 3.37Å; Y169-H173 PolarHBondContact O-N 3.12Å; V170-H173 PolarHBondContact O-N 3.37Å |
| 174 | T | 95.2 | Very high | 97.8 | Very high | 25 Ų | 25 | 39.1 Ų | 39.1 | 15% | 0.153 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -99.8 | -8.6 | -173.7 | 57.6 | 0 | 0 | 0 | 0 | 113.9 | V92 D125 W127 V170 L171 A176 | V92-T174 HydrophobicContact CG2-CG2 4.06Å; D125-T174 WeakPolarHBondContact OD2-CG2 3.49Å; W127-T174 HydrophobicContact CZ2-CG2 3.85Å; V170-T174 HydrophobicContact CG1-CG2 4.43Å; V170-T174 WeakPolarHBondContact O-CB 3.24Å; V170-T174 WeakPolarHBondContact O-CG2 3.46Å; V170-T174 PolarHBondContact O-N 3.35Å; V170-T174 PolarHBondContact O-OG1 3.1Å; L171-T174 PolarHBondContact O-N 3.38Å; T174-A176 PolarHBondContact O-N 2.88Å; T174-A176 VanDerWaalsContact O-N 3.17Å; T174-A176 VanDerWaalsContact OG1-CB 3.3Å; T174-A176 WeakPolarHBondContact OG1-CB 3.46Å; T174-A176 PolarHBondContact OG1-N 3.04Å |
| 175 | D | 94.6 | Very high | 97.8 | Very high | 107 Ų | 107 | 38.5 Ų | 38.5 | 57% | 0.572 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 24.6 | -166.6 | -61.1 | -45.8 | 0 | 0 | 0 | 113.4 | R89 L171 | R89-D175 IonicContact NH2-OD2 2.74Å; L171-D175 WeakPolarHBondContact O-CA 3.26Å; L171-D175 PolarHBondContact O-N 3.36Å |
| 176 | A | 94.7 | Very high | 97.8 | Very high | 21 Ų | 21 | 37.5 Ų | 37.5 | 17% | 0.174 | 19% | 0.185 | C | C | . | . | trans | -76 | 132.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | V92 L171 T174 K178 | V92-A176 HydrophobicContact CG2-CB 3.75Å; L171-A176 HydrophobicContact CD2-CB 4.34Å; L171-A176 VanDerWaalsContact CD2-O 3.26Å; L171-A176 WeakPolarHBondContact CD2-O 3.41Å; L171-A176 PolarHBondContact O-N 3.27Å; T174-A176 PolarHBondContact O-N 2.88Å; T174-A176 VanDerWaalsContact O-N 3.17Å; T174-A176 VanDerWaalsContact OG1-CB 3.3Å; T174-A176 WeakPolarHBondContact OG1-CB 3.46Å; T174-A176 PolarHBondContact OG1-N 3.04Å; A176-K178 VanDerWaalsContact C-N 3.31Å | ||
| 177 | E | 95.6 | Very high | 97.8 | Very high | 169 Ų | 169 | 37.3 Ų | 37.3 | 79% | 0.79 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -69.6 | -33.6 | 175.4 | -65.7 | -176.2 | -178.3 | 0 | 0 | 111.9 | ||
| 178 | K | 97.4 | Very high | 97.7 | Very high | 107 Ų | 107 | 37.3 Ų | 37.3 | 47% | 0.465 | 18% | 0.184 | S | C | . | . | trans | -147.6 | 161.6 | 179.5 | -63.5 | -164.3 | 177.6 | -161.2 | 0 | 110.9 | A176 S203 F204 D206 | A176-K178 VanDerWaalsContact C-N 3.31Å; K178-S203 WeakPolarHBondContact CE-O 3.37Å; K178-S203 PolarHBondContact NZ-O 3.44Å; K178-F204 CarbonylContact C-O 3.6Å; K178-F204 WeakPolarHBondContact CA-O 3.4Å; K178-F204 VanDerWaalsContact CB-O 3.29Å; K178-F204 WeakPolarHBondContact CB-O 3.35Å; K178-D206 HydrophobicContact CB-CB 4.18Å; K178-D206 HydrophobicContact CD-CB 4.03Å | ||
| 179 | L | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 159.6 | 171.2 | 61.2 | 82.9 | 0 | 0 | 0 | 111.1 | V92 F94 L167 V170 L171 F204 I205 D206 | V92-L179 HydrophobicContact CB-CB 3.81Å; V92-L179 HydrophobicContact CG1-CB 3.76Å; V92-L179 HydrophobicContact CG1-CD2 4.28Å; V92-L179 WeakPolarHBondContact O-CA 3.49Å; F94-L179 HydrophobicContact CB-CD1 4.09Å; L167-L179 HydrophobicContact CD2-CD1 3.94Å; L167-L179 HydrophobicContact CD2-CD2 3.99Å; V170-L179 HydrophobicContact CG1-CD2 4.09Å; L171-L179 HydrophobicContact CD2-CB 4.47Å; L171-L179 HydrophobicContact CD2-CD2 3.88Å; L171-L179 HydrophobicContact CD2-CG 4.21Å; L171-L179 HydrophobicContact CG-CD2 3.91Å; L179-F204 PolarHBondContact N-O 3.25Å; L179-I205 HydrophobicContact CD1-CD1 3.57Å; L179-I205 HydrophobicContact CG-CD1 4.3Å; L179-I205 WeakPolarHBondContact O-CA 3.3Å; L179-D206 VanDerWaalsContact C-OD1 3.23Å; L179-D206 PolarHBondContact O-N 3.31Å; L179-D206 VanDerWaalsContact O-N 3.09Å |
| 180 | S | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 139.4 | 167.9 | -60.9 | 0 | 0 | 0 | 0 | 110.1 | K91 V92 V93 F94 D206 L207 L408 | K91-S180 VanDerWaalsContact CE-OG 3.24Å; K91-S180 WeakPolarHBondContact CE-OG 3.35Å; V92-S180 PolarHBondContact O-N 2.95Å; V93-S180 WeakPolarHBondContact CA-O 3.41Å; F94-S180 PolarHBondContact N-O 3.35Å; S180-D206 WeakPolarHBondContact CA-OD1 3.47Å; S180-D206 WeakPolarHBondContact CB-OD1 3.4Å; S180-D206 PolarHBondContact N-OD1 2.93Å; S180-D206 PolarHBondContact OG-OD1 3.38Å; S180-D206 PolarHBondContact OG-OD2 2.92Å; S180-L207 CarbonylContact C-O 3.54Å; S180-L207 WeakPolarHBondContact CA-O 3.41Å; S180-L408 VanDerWaalsContact CB-CD2 3.44Å; S180-L408 WeakPolarHBondContact OG-CD2 3.27Å |
| 181 | Y | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 130.6 | 177.7 | -175.7 | -86.9 | 0 | 0 | 0 | 110.6 | F94 Q96 L163 L167 G187 A191 L207 F208 I209 | F94-Y181 HydrophobicContact CB-CD2 4.32Å; F94-Y181 AromaticContact CD1-CD2 3.7Å; F94-Y181 HydrophobicContact CD1-CD2 3.7Å; F94-Y181 AromaticContact CD1-CE2 3.56Å; F94-Y181 HydrophobicContact CD1-CE2 3.56Å; F94-Y181 AromaticContact CE1-CE2 3.96Å; F94-Y181 HydrophobicContact CE1-CE2 3.96Å; F94-Y181 HydrophobicContact CG-CD2 4.39Å; Q96-Y181 HydrophobicContact CB-CE1 4.42Å; Q96-Y181 HydrophobicContact CB-CE2 3.93Å; Q96-Y181 WeakPolarHBondContact CB-OH 3.36Å; Q96-Y181 VanDerWaalsContact CG-OH 3.26Å; Q96-Y181 WeakPolarHBondContact CG-OH 3.44Å; L163-Y181 HydrophobicContact CD1-CD2 4.28Å; L163-Y181 HydrophobicContact CD1-CE2 3.5Å; L163-Y181 HydrophobicContact CD2-CE2 4.05Å; L163-Y181 HydrophobicContact CG-CE2 4.46Å; L167-Y181 HydrophobicContact CD2-CD2 4.34Å; Y181-G187 PolarHBondContact OH-O 2.72Å; Y181-A191 HydrophobicContact CD1-CB 4.03Å; Y181-A191 HydrophobicContact CE1-CB 3.43Å; Y181-A191 VanDerWaalsContact CE1-CB 3.43Å; Y181-L207 PolarHBondContact N-O 2.89Å; Y181-F208 AromaticContact CD1-CD2 3.55Å; Y181-F208 HydrophobicContact CD1-CD2 3.55Å; Y181-F208 AromaticContact CD1-CE2 3.67Å; Y181-F208 HydrophobicContact CD1-CE2 3.67Å; Y181-F208 HydrophobicContact CD1-CG 4.45Å; Y181-F208 HydrophobicContact CE1-CD2 4.24Å; Y181-F208 AromaticContact CE1-CE2 3.88Å; Y181-F208 HydrophobicContact CE1-CE2 3.88Å; Y181-F208 CarbonylContact O-C 3.59Å; Y181-F208 WeakPolarHBondContact O-CA 3.22Å; Y181-I209 PolarHBondContact O-N 3.14Å |
| 182 | I | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 115.4 | 171.6 | -45.4 | -169.8 | 0 | 0 | 0 | 108.5 | V93 F94 L95 Q96 W106 L115 L119 I209 L211 I404 L408 | V93-I182 HydrophobicContact CG1-CD1 3.81Å; V93-I182 HydrophobicContact CG1-CG1 3.91Å; F94-I182 PolarHBondContact O-N 2.72Å; L95-I182 CarbonylContact C-O 3.48Å; L95-I182 WeakPolarHBondContact CA-O 3.5Å; L95-I182 HydrophobicContact CD2-CB 3.58Å; L95-I182 HydrophobicContact CD2-CD1 3.74Å; L95-I182 HydrophobicContact CD2-CG1 3.8Å; L95-I182 HydrophobicContact CD2-CG2 4.32Å; Q96-I182 PolarHBondContact N-O 2.9Å; W106-I182 HydrophobicContact CH2-CG2 4.45Å; L115-I182 HydrophobicContact CD2-CD1 4.27Å; L115-I182 HydrophobicContact CD2-CG2 4.38Å; L119-I182 HydrophobicContact CD1-CD1 4.44Å; I182-I209 VanDerWaalsContact CA-O 3.31Å; I182-I209 WeakPolarHBondContact CA-O 3.14Å; I182-I209 HydrophobicContact CB-CB 4.39Å; I182-I209 HydrophobicContact CD1-CD1 4.14Å; I182-I209 HydrophobicContact CG1-CB 4.07Å; I182-I209 HydrophobicContact CG1-CD1 4.34Å; I182-I209 HydrophobicContact CG2-CB 4.13Å; I182-I209 HydrophobicContact CG2-CG2 4.06Å; I182-L211 HydrophobicContact CG2-CD1 3.85Å; I182-L211 HydrophobicContact CG2-CG 4.03Å; I182-I404 HydrophobicContact CD1-CG2 3.76Å; I182-L408 HydrophobicContact CD1-CD1 4.31Å |
| 183 | G | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 144.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | C188 I209 L211 | G183-C188 PolarHBondContact O-SG 3.49Å; G183-I209 PolarHBondContact N-O 3.24Å; G183-L211 WeakPolarHBondContact O-CB 3.33Å; G183-L211 PolarHBondContact O-N 3.48Å |
| 184 | H | 98.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 21.1 Ų | 21.1 | 1% | 0.009 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 133.9 | 162.9 | 171.5 | -104.4 | 0 | 0 | 0 | 110.4 | Q96 H97 G98 W106 Q186 G187 L211 H387 V391 | Q96-H184 PolarHBondContact O-N 2.8Å; H97-H184 CarbonylContact C-O 3.54Å; G98-H184 WeakPolarHBondContact CA-O 3.3Å; G98-H184 PolarHBondContact N-O 3.45Å; W106-H184 HydrophobicContact CH2-CB 3.77Å; W106-H184 HydrophobicContact CZ2-CB 4.09Å; H184-Q186 PolarHBondContact O-N 2.66Å; H184-G187 PolarHBondContact O-N 2.85Å; H184-L211 WeakPolarHBondContact CA-O 3.37Å; H184-L211 HydrophobicContact CB-CB 4.43Å; H184-H387 AromaticContact CE1-NE2 3.88Å; H184-H387 AromaticContact NE2-NE2 3.97Å; H184-H387 PolarHBondContact NE2-O 3.3Å; H184-V391 HydrophobicContact CB-CG1 3.99Å |
| 185 | S | 98.5 | Very high | 98 | Very high | 3 Ų | 3 | 19.9 Ų | 19.9 | 2% | 0.021 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | -108.4 | 174.6 | -173.3 | 0 | 0 | 0 | 0 | 113.7 | G187 C188 Q189 L211 A212 A214 H387 | S185-G187 VanDerWaalsContact C-N 3.28Å; S185-G187 PolarHBondContact O-N 3.11Å; S185-C188 WeakPolarHBondContact O-CB 3.49Å; S185-C188 PolarHBondContact O-N 2.93Å; S185-Q189 PolarHBondContact O-N 2.68Å; S185-L211 PolarHBondContact N-O 3.32Å; S185-A212 WeakPolarHBondContact CA-O 3.22Å; S185-A214 PolarHBondContact O-N 3Å; S185-H387 VanDerWaalsContact CB-CE1 3.49Å; S185-H387 WeakPolarHBondContact CB-CE1 3.46Å; S185-H387 WeakPolarHBondContact CB-NE2 3.42Å; S185-H387 PolarHBondContact OG-CE1 3.25Å; S185-H387 VanDerWaalsContact OG-CE1 3.3Å; S185-H387 PolarHBondContact OG-NE2 3.13Å |
| 186 | Q | 98.7 | Very high | 98 | Very high | 3 Ų | 3 | 16.7 Ų | 16.7 | 1% | 0.014 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -66.3 | -30.1 | 178 | -168.9 | 177.7 | -85.9 | 0 | 0 | 111.5 | L99 W155 M158 H184 C188 Q189 I190 N305 Y309 | L99-Q186 HydrophobicContact CB-CB 4.24Å; W155-Q186 HydrophobicContact CB-CG 4.05Å; M158-Q186 PolarHBondContact SD-NE2 3.01Å; H184-Q186 PolarHBondContact O-N 2.66Å; Q186-C188 PolarHBondContact O-N 2.76Å; Q186-Q189 CarbonylContact O-C 3.47Å; Q186-Q189 WeakPolarHBondContact O-CA 3.37Å; Q186-Q189 VanDerWaalsContact O-CB 3.29Å; Q186-Q189 WeakPolarHBondContact O-CB 3.48Å; Q186-Q189 PolarHBondContact O-N 2.57Å; Q186-I190 HydrophobicContact CG-CD1 3.98Å; Q186-I190 HydrophobicContact CG-CG1 4.14Å; Q186-I190 WeakPolarHBondContact O-CB 2.88Å; Q186-I190 VanDerWaalsContact O-CG1 3.24Å; Q186-I190 WeakPolarHBondContact O-CG1 3.24Å; Q186-I190 PolarHBondContact O-N 2.81Å; Q186-N305 PolarHBondContact OE1-ND2 3.04Å; Q186-Y309 VanDerWaalsContact CB-OH 3.26Å; Q186-Y309 WeakPolarHBondContact CB-OH 3.3Å; Q186-Y309 VanDerWaalsContact CG-OH 3.26Å; Q186-Y309 WeakPolarHBondContact CG-OH 3.47Å; Q186-Y309 PolarHBondContact OE1-OH 2.95Å; Q186-Y309 VanDerWaalsContact OE1-OH 3.08Å |
| 187 | G | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -56 | -39.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | H97 Y181 H184 S185 A191 | H97-G187 WeakPolarHBondContact O-CA 3.25Å; H97-G187 PolarHBondContact O-N 3.17Å; H97-G187 VanDerWaalsContact O-N 3.14Å; Y181-G187 PolarHBondContact OH-O 2.72Å; H184-G187 PolarHBondContact O-N 2.85Å; S185-G187 VanDerWaalsContact C-N 3.28Å; S185-G187 PolarHBondContact O-N 3.11Å; G187-A191 WeakPolarHBondContact O-CB 3.25Å; G187-A191 PolarHBondContact O-N 3.18Å |
| 188 | C | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -65.8 | -40.1 | 172.4 | -58.5 | 0 | 0 | 0 | 0 | 112.8 | G183 S185 Q186 A191 L192 F208 A210 P213 | G183-C188 PolarHBondContact O-SG 3.49Å; S185-C188 WeakPolarHBondContact O-CB 3.49Å; S185-C188 PolarHBondContact O-N 2.93Å; Q186-C188 PolarHBondContact O-N 2.76Å; C188-A191 PolarHBondContact O-N 2.85Å; C188-L192 VanDerWaalsContact O-CG 3.27Å; C188-L192 WeakPolarHBondContact O-CG 3.24Å; C188-L192 PolarHBondContact O-N 3Å; C188-F208 HydrophobicContact CB-CZ 3.99Å; C188-A210 HydrophobicContact CB-CB 4.45Å; C188-A210 VanDerWaalsContact SG-CA 3.54Å; C188-P213 HydrophobicContact CB-CB 3.52Å |
| 189 | Q | 98.5 | Very high | 98 | Very high | 4 Ų | 4 | 12.4 Ų | 12.4 | 2% | 0.019 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -63.8 | -45.7 | -179.8 | -168.4 | -177.3 | 17.8 | 0 | 0 | 111.5 | W155 S185 Q186 A191 L192 A193 Y309 F318 | W155-Q189 HydrophobicContact CD2-CG 4.01Å; W155-Q189 HydrophobicContact CE3-CG 3.91Å; W155-Q189 VanDerWaalsContact CZ2-NE2 3.26Å; W155-Q189 HydrophobicContact CZ3-CG 4.22Å; S185-Q189 PolarHBondContact O-N 2.68Å; Q186-Q189 CarbonylContact O-C 3.47Å; Q186-Q189 WeakPolarHBondContact O-CA 3.37Å; Q186-Q189 VanDerWaalsContact O-CB 3.29Å; Q186-Q189 WeakPolarHBondContact O-CB 3.48Å; Q186-Q189 PolarHBondContact O-N 2.57Å; Q189-A191 VanDerWaalsContact C-N 3.33Å; Q189-A191 PolarHBondContact O-N 2.96Å; Q189-L192 PolarHBondContact O-N 2.87Å; Q189-A193 PolarHBondContact O-N 3.2Å; Q189-Y309 PolarHBondContact OE1-OH 2.81Å; Q189-F318 HydrophobicContact CG-CE2 3.59Å; Q189-F318 HydrophobicContact CG-CZ 4.26Å |
| 190 | I | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -57.7 | -46.9 | 174.3 | -68.4 | 166.4 | 0 | 0 | 0 | 109.9 | W155 M158 L163 Q186 A193 C194 | W155-I190 HydrophobicContact CB-CG1 4.31Å; M158-I190 HydrophobicContact CB-CD1 3.77Å; M158-I190 HydrophobicContact CB-CG1 3.81Å; M158-I190 HydrophobicContact CB-CG2 4.21Å; M158-I190 HydrophobicContact CG-CD1 4.35Å; M158-I190 HydrophobicContact SD-CD1 3.74Å; M158-I190 HydrophobicContact SD-CG1 4.4Å; L163-I190 HydrophobicContact CB-CG2 3.84Å; L163-I190 HydrophobicContact CD2-CG2 3.93Å; L163-I190 HydrophobicContact CG-CG2 4.43Å; Q186-I190 HydrophobicContact CG-CD1 3.98Å; Q186-I190 HydrophobicContact CG-CG1 4.14Å; Q186-I190 WeakPolarHBondContact O-CB 2.88Å; Q186-I190 VanDerWaalsContact O-CG1 3.24Å; Q186-I190 WeakPolarHBondContact O-CG1 3.24Å; Q186-I190 PolarHBondContact O-N 2.81Å; I190-A193 PolarHBondContact O-N 2.85Å; I190-C194 VanDerWaalsContact O-CB 3.22Å; I190-C194 WeakPolarHBondContact O-CB 3.39Å; I190-C194 PolarHBondContact O-N 2.7Å |
| 191 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.9 | -46.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L163 Y181 G187 C188 Q189 A193 C194 F195 F208 | L163-A191 HydrophobicContact CD2-CB 4.14Å; Y181-A191 HydrophobicContact CD1-CB 4.03Å; Y181-A191 HydrophobicContact CE1-CB 3.43Å; Y181-A191 VanDerWaalsContact CE1-CB 3.43Å; G187-A191 WeakPolarHBondContact O-CB 3.25Å; G187-A191 PolarHBondContact O-N 3.18Å; C188-A191 PolarHBondContact O-N 2.85Å; Q189-A191 VanDerWaalsContact C-N 3.33Å; Q189-A191 PolarHBondContact O-N 2.96Å; A191-A193 VanDerWaalsContact C-N 3.34Å; A191-A193 PolarHBondContact O-N 2.67Å; A191-C194 PolarHBondContact O-N 2.94Å; A191-F195 HydrophobicContact CB-CD2 4.23Å; A191-F195 HydrophobicContact CB-CE2 3.69Å; A191-F195 HydrophobicContact CB-CZ 4.09Å; A191-F195 WeakPolarHBondContact O-CB 3.3Å; A191-F195 WeakPolarHBondContact O-CD2 3.02Å; A191-F195 WeakPolarHBondContact O-CG 3.36Å; A191-F195 PolarHBondContact O-N 3.36Å; A191-F208 HydrophobicContact CB-CE1 4.13Å; A191-F208 HydrophobicContact CB-CE2 4.18Å; A191-F208 HydrophobicContact CB-CZ 3.82Å |
| 192 | L | 98.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.6 | -44.1 | 177.7 | -72.5 | 168.9 | 0 | 0 | 0 | 112 | C188 Q189 D196 F208 A215 F318 I342 L345 L368 I372 | C188-L192 VanDerWaalsContact O-CG 3.27Å; C188-L192 WeakPolarHBondContact O-CG 3.24Å; C188-L192 PolarHBondContact O-N 3Å; Q189-L192 PolarHBondContact O-N 2.87Å; L192-D196 WeakPolarHBondContact O-CB 3.41Å; L192-D196 PolarHBondContact O-N 2.83Å; L192-F208 HydrophobicContact CD2-CE1 4.11Å; L192-F208 HydrophobicContact CG-CE1 4.22Å; L192-A215 HydrophobicContact CD1-CB 3.81Å; L192-F318 HydrophobicContact CB-CE1 3.93Å; L192-F318 HydrophobicContact CB-CZ 3.91Å; L192-I342 HydrophobicContact CB-CG2 4.23Å; L192-I342 HydrophobicContact CD2-CG2 4.48Å; L192-L345 HydrophobicContact CD2-CD1 3.65Å; L192-L368 HydrophobicContact CD1-CD1 3.98Å; L192-L368 HydrophobicContact CD1-CD2 4.22Å; L192-I372 HydrophobicContact CD2-CD1 4.41Å |
| 193 | A | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.8 | -48.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | W155 Q189 I190 A191 F195 D196 E197 F318 Y340 | W155-A193 HydrophobicContact CE3-CB 4.39Å; W155-A193 HydrophobicContact CZ3-CB 4.04Å; Q189-A193 PolarHBondContact O-N 3.2Å; I190-A193 PolarHBondContact O-N 2.85Å; A191-A193 VanDerWaalsContact C-N 3.34Å; A191-A193 PolarHBondContact O-N 2.67Å; A193-F195 PolarHBondContact O-N 3.39Å; A193-D196 PolarHBondContact O-N 2.98Å; A193-E197 PolarHBondContact O-N 3.2Å; A193-F318 HydrophobicContact CB-CZ 4.2Å; A193-Y340 HydrophobicContact CB-CD1 4.06Å; A193-Y340 HydrophobicContact CB-CE1 3.56Å; A193-Y340 HydrophobicContact CB-CE2 4.21Å |
| 194 | C | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.6 | -49 | 179.2 | -179.3 | 0 | 0 | 0 | 0 | 111.9 | G159 L163 I190 A191 D196 E197 H198 | G159-C194 WeakPolarHBondContact O-CA 3.39Å; G159-C194 WeakPolarHBondContact O-CB 3.31Å; G159-C194 PolarHBondContact O-SG 3.42Å; L163-C194 HydrophobicContact CB-CB 4.29Å; L163-C194 HydrophobicContact CD2-CB 3.69Å; L163-C194 HydrophobicContact CG-CB 4.31Å; I190-C194 VanDerWaalsContact O-CB 3.22Å; I190-C194 WeakPolarHBondContact O-CB 3.39Å; I190-C194 PolarHBondContact O-N 2.7Å; A191-C194 PolarHBondContact O-N 2.94Å; C194-D196 VanDerWaalsContact C-N 3.33Å; C194-D196 PolarHBondContact O-N 2.97Å; C194-E197 PolarHBondContact O-N 2.87Å; C194-H198 WeakPolarHBondContact O-CB 3.27Å; C194-H198 PolarHBondContact O-N 2.85Å; C194-H198 PolarHBondContact O-ND1 2.71Å |
| 195 | F | 97.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -74 | -23.5 | -174.5 | -59.2 | -26.2 | 0 | 0 | 0 | 113.5 | L163 L167 A191 A193 I201 Q202 I205 F208 L345 L347 | L163-F195 HydrophobicContact CD2-CE1 4.39Å; L163-F195 HydrophobicContact CD2-CZ 4.47Å; L167-F195 HydrophobicContact CD1-CE1 4.19Å; A191-F195 HydrophobicContact CB-CD2 4.23Å; A191-F195 HydrophobicContact CB-CE2 3.69Å; A191-F195 HydrophobicContact CB-CZ 4.09Å; A191-F195 WeakPolarHBondContact O-CB 3.3Å; A191-F195 WeakPolarHBondContact O-CD2 3.02Å; A191-F195 WeakPolarHBondContact O-CG 3.36Å; A191-F195 PolarHBondContact O-N 3.36Å; A193-F195 PolarHBondContact O-N 3.39Å; F195-I201 HydrophobicContact CD1-CG2 4.4Å; F195-I201 HydrophobicContact CE1-CG2 4.2Å; F195-Q202 HydrophobicContact CB-CB 4.17Å; F195-Q202 HydrophobicContact CB-CG 4.01Å; F195-Q202 HydrophobicContact CD1-CB 4.38Å; F195-Q202 HydrophobicContact CG-CB 4.45Å; F195-Q202 HydrophobicContact CG-CG 4.35Å; F195-Q202 PolarHBondContact O-NE2 3.06Å; F195-I205 HydrophobicContact CE1-CD1 4.16Å; F195-I205 HydrophobicContact CE1-CG1 3.71Å; F195-I205 HydrophobicContact CE2-CG1 4.34Å; F195-I205 HydrophobicContact CZ-CD1 4.01Å; F195-I205 HydrophobicContact CZ-CG1 3.62Å; F195-F208 HydrophobicContact CD2-CD1 4.48Å; F195-F208 HydrophobicContact CE2-CD1 4.18Å; F195-F208 HydrophobicContact CE2-CG 4.38Å; F195-L345 HydrophobicContact CB-CD2 3.55Å; F195-L347 HydrophobicContact CD2-CD1 3.41Å; F195-L347 VanDerWaalsContact CD2-CD1 3.41Å; F195-L347 HydrophobicContact CD2-CD2 4.3Å; F195-L347 HydrophobicContact CE2-CD1 3.48Å; F195-L347 VanDerWaalsContact CE2-CD1 3.48Å; F195-L347 HydrophobicContact CG-CD1 4.17Å; F195-L347 HydrophobicContact CZ-CD1 4.3Å |
| 196 | D | 96.2 | Very high | 97.5 | Very high | 39 Ų | 39 | 26.5 Ų | 26.5 | 21% | 0.209 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.5 | -47.5 | 168.7 | -176.4 | 53.2 | 0 | 0 | 0 | 110.8 | L192 A193 C194 Y340 N341 | L192-D196 WeakPolarHBondContact O-CB 3.41Å; L192-D196 PolarHBondContact O-N 2.83Å; A193-D196 PolarHBondContact O-N 2.98Å; C194-D196 VanDerWaalsContact C-N 3.33Å; C194-D196 PolarHBondContact O-N 2.97Å; D196-Y340 HydrophobicContact CB-CD1 4.3Å; D196-Y340 WeakPolarHBondContact OD2-CA 3.4Å; D196-Y340 WeakPolarHBondContact OD2-CD1 3.37Å; D196-N341 VanDerWaalsContact CG-N 3.33Å; D196-N341 WeakPolarHBondContact OD1-CA 3.47Å; D196-N341 PolarHBondContact OD1-N 3.3Å; D196-N341 PolarHBondContact OD2-N 3.39Å |
| 197 | E | 95.4 | Very high | 97.5 | Very high | 64 Ų | 64 | 26.4 Ų | 26.4 | 30% | 0.299 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -82.5 | -24.4 | -175 | -63.7 | -160.8 | 104.1 | 0 | 0 | 114.2 | A193 C194 P199 K320 Y340 | A193-E197 PolarHBondContact O-N 3.2Å; C194-E197 PolarHBondContact O-N 2.87Å; E197-P199 WeakPolarHBondContact O-CD 3.44Å; E197-K320 VanDerWaalsContact OE1-CE 3.3Å; E197-K320 WeakPolarHBondContact OE1-CE 3.38Å; E197-K320 IonicContact OE1-NZ 3.86Å; E197-K320 PolarHBondContact OE1-NZ 3.37Å; E197-K320 IonicContact OE2-NZ 3.25Å; E197-Y340 HydrophobicContact CG-CD1 4.35Å; E197-Y340 HydrophobicContact CG-CE1 3.91Å |
| 198 | H | 96 | Very high | 97.5 | Very high | 56 Ų | 56 | 26.4 Ų | 26.4 | 26% | 0.259 | 14% | 0.142 | S | C | . | . | trans | -124.1 | 78.1 | -174.9 | -56.6 | 87.5 | 0 | 0 | 0 | 112 | C194 I200 I201 Q202 | C194-H198 WeakPolarHBondContact O-CB 3.27Å; C194-H198 PolarHBondContact O-N 2.85Å; C194-H198 PolarHBondContact O-ND1 2.71Å; H198-I200 PolarHBondContact O-N 3.24Å; H198-I200 VanDerWaalsContact O-N 3.12Å; H198-I201 HydrophobicContact CB-CB 3.83Å; H198-I201 HydrophobicContact CB-CG1 3.65Å; H198-I201 PolarHBondContact O-N 3.29Å; H198-Q202 PolarHBondContact O-N 3Å | ||
| 199 | P | 94.6 | Very high | 97.5 | Very high | 88 Ų | 88 | 26.4 Ų | 26.4 | 57% | 0.571 | 14% | 0.142 | S | C | * | . | H | α-helix | trans | -56.8 | -28.8 | 178.3 | -26.5 | 34.5 | 0 | 0 | 0 | 114.4 | E197 Q202 S203 | E197-P199 WeakPolarHBondContact O-CD 3.44Å; P199-Q202 WeakPolarHBondContact O-CB 3.49Å; P199-S203 PolarHBondContact O-N 3.37Å |
| 200 | I | 96.2 | Very high | 97.5 | Very high | 123 Ų | 123 | 26.3 Ų | 26.3 | 63% | 0.631 | 14% | 0.142 | S | C | * | . | H | α-helix | trans | -67.2 | -48.7 | 175.3 | -63.4 | 174.1 | 0 | 0 | 0 | 110.2 | H198 Q202 S203 F204 | H198-I200 PolarHBondContact O-N 3.24Å; H198-I200 VanDerWaalsContact O-N 3.12Å; I200-Q202 VanDerWaalsContact C-N 3.28Å; I200-Q202 PolarHBondContact O-N 2.87Å; I200-S203 WeakPolarHBondContact O-CB 3.5Å; I200-S203 PolarHBondContact O-N 3.31Å; I200-S203 PolarHBondContact O-OG 2.72Å; I200-F204 HydrophobicContact CG2-CE2 3.77Å; I200-F204 HydrophobicContact CG2-CZ 4.2Å; I200-F204 WeakPolarHBondContact O-CD2 3.46Å |
| 201 | I | 97.3 | Very high | 97.5 | Very high | 13 Ų | 13 | 26.3 Ų | 26.3 | 7% | 0.067 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.2 | -42.5 | 177.4 | -59.2 | -61.4 | 0 | 0 | 0 | 110.5 | P164 L167 M168 F195 H198 S203 F204 | P164-I201 HydrophobicContact CB-CD1 4.34Å; P164-I201 HydrophobicContact CB-CG1 4.2Å; L167-I201 HydrophobicContact CD1-CG2 3.76Å; M168-I201 HydrophobicContact CG-CD1 3.47Å; M168-I201 VanDerWaalsContact CG-CD1 3.47Å; M168-I201 HydrophobicContact SD-CD1 3.49Å; M168-I201 WeakPolarHBondContact SD-CD1 3.23Å; F195-I201 HydrophobicContact CD1-CG2 4.4Å; F195-I201 HydrophobicContact CE1-CG2 4.2Å; H198-I201 HydrophobicContact CB-CB 3.83Å; H198-I201 HydrophobicContact CB-CG1 3.65Å; H198-I201 PolarHBondContact O-N 3.29Å; I201-S203 PolarHBondContact O-N 3.45Å; I201-F204 PolarHBondContact O-N 3.44Å; I201-F204 VanDerWaalsContact O-N 3.11Å |
| 202 | Q | 97 | Very high | 97.5 | Very high | 18 Ų | 18 | 26.3 Ų | 26.3 | 8% | 0.084 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -55 | -35.4 | 175.1 | -168.8 | -167.9 | 137.4 | 0 | 0 | 112.9 | F195 H198 P199 I200 F204 I205 L347 | F195-Q202 HydrophobicContact CB-CB 4.17Å; F195-Q202 HydrophobicContact CB-CG 4.01Å; F195-Q202 HydrophobicContact CD1-CB 4.38Å; F195-Q202 HydrophobicContact CG-CB 4.45Å; F195-Q202 HydrophobicContact CG-CG 4.35Å; F195-Q202 PolarHBondContact O-NE2 3.06Å; H198-Q202 PolarHBondContact O-N 3Å; P199-Q202 WeakPolarHBondContact O-CB 3.49Å; I200-Q202 VanDerWaalsContact C-N 3.28Å; I200-Q202 PolarHBondContact O-N 2.87Å; Q202-F204 PolarHBondContact O-N 3.4Å; Q202-I205 PolarHBondContact O-N 3.47Å; Q202-L347 HydrophobicContact CG-CB 4.1Å; Q202-L347 HydrophobicContact CG-CD1 4.36Å; Q202-L347 HydrophobicContact CG-CD2 3.9Å; Q202-L347 HydrophobicContact CG-CG 4.33Å |
| 203 | S | 97.1 | Very high | 97.5 | Very high | 61 Ų | 61 | 26.4 Ų | 26.4 | 43% | 0.427 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -68.4 | -20.6 | -177.9 | 78.9 | 0 | 0 | 0 | 0 | 114 | K178 P199 I200 I201 I205 | K178-S203 WeakPolarHBondContact CE-O 3.37Å; K178-S203 PolarHBondContact NZ-O 3.44Å; P199-S203 PolarHBondContact O-N 3.37Å; I200-S203 WeakPolarHBondContact O-CB 3.5Å; I200-S203 PolarHBondContact O-N 3.31Å; I200-S203 PolarHBondContact O-OG 2.72Å; I201-S203 PolarHBondContact O-N 3.45Å; S203-I205 VanDerWaalsContact C-N 3.33Å |
| 204 | F | 98 | Very high | 97.3 | Very high | 57 Ų | 57 | 26.5 Ų | 26.5 | 25% | 0.25 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -1.5 | 176.5 | -57.2 | -55.8 | 0 | 0 | 0 | 113.6 | M168 L171 K178 L179 I200 I201 Q202 | M168-F204 HydrophobicContact CE-CE2 4.35Å; M168-F204 HydrophobicContact SD-CD2 4.02Å; M168-F204 HydrophobicContact SD-CE2 3.76Å; L171-F204 HydrophobicContact CD1-CB 3.56Å; L171-F204 HydrophobicContact CD1-CD1 4.37Å; L171-F204 HydrophobicContact CD1-CD2 3.81Å; L171-F204 HydrophobicContact CD1-CG 3.68Å; L171-F204 HydrophobicContact CD2-CB 4.45Å; K178-F204 CarbonylContact C-O 3.6Å; K178-F204 WeakPolarHBondContact CA-O 3.4Å; K178-F204 VanDerWaalsContact CB-O 3.29Å; K178-F204 WeakPolarHBondContact CB-O 3.35Å; L179-F204 PolarHBondContact N-O 3.25Å; I200-F204 HydrophobicContact CG2-CE2 3.77Å; I200-F204 HydrophobicContact CG2-CZ 4.2Å; I200-F204 WeakPolarHBondContact O-CD2 3.46Å; I201-F204 PolarHBondContact O-N 3.44Å; I201-F204 VanDerWaalsContact O-N 3.11Å; Q202-F204 PolarHBondContact O-N 3.4Å |
| 205 | I | 98.3 | Very high | 97.2 | Very high | 5 Ų | 5 | 26.7 Ų | 26.7 | 3% | 0.026 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 120.6 | 176.5 | -50.3 | -58.3 | 0 | 0 | 0 | 109.7 | L167 L179 F195 Q202 S203 L207 F208 L347 | L167-I205 HydrophobicContact CD1-CD1 4.01Å; L179-I205 HydrophobicContact CD1-CD1 3.57Å; L179-I205 HydrophobicContact CG-CD1 4.3Å; L179-I205 WeakPolarHBondContact O-CA 3.3Å; F195-I205 HydrophobicContact CE1-CD1 4.16Å; F195-I205 HydrophobicContact CE1-CG1 3.71Å; F195-I205 HydrophobicContact CE2-CG1 4.34Å; F195-I205 HydrophobicContact CZ-CD1 4.01Å; F195-I205 HydrophobicContact CZ-CG1 3.62Å; Q202-I205 PolarHBondContact O-N 3.47Å; S203-I205 VanDerWaalsContact C-N 3.33Å; I205-L207 WeakPolarHBondContact CG2-O 3.11Å; I205-F208 HydrophobicContact CG2-CB 4.4Å; I205-L347 HydrophobicContact CB-CD1 3.91Å; I205-L347 HydrophobicContact CG1-CD1 4.34Å; I205-L347 HydrophobicContact CG2-CD1 3.77Å |
| 206 | D | 97.4 | Very high | 97.2 | Very high | 23 Ų | 23 | 27.1 Ų | 27.1 | 12% | 0.123 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | -29.5 | 175.2 | 67.4 | -3.2 | 0 | 0 | 0 | 112.8 | K91 K178 L179 S180 P348 | K91-D206 WeakPolarHBondContact CE-OD2 3.4Å; K91-D206 IonicContact NZ-OD2 3.4Å; K91-D206 PolarHBondContact NZ-OD2 3.45Å; K178-D206 HydrophobicContact CB-CB 4.18Å; K178-D206 HydrophobicContact CD-CB 4.03Å; L179-D206 VanDerWaalsContact C-OD1 3.23Å; L179-D206 PolarHBondContact O-N 3.31Å; L179-D206 VanDerWaalsContact O-N 3.09Å; S180-D206 WeakPolarHBondContact CA-OD1 3.47Å; S180-D206 WeakPolarHBondContact CB-OD1 3.4Å; S180-D206 PolarHBondContact N-OD1 2.93Å; S180-D206 PolarHBondContact OG-OD1 3.38Å; S180-D206 PolarHBondContact OG-OD2 2.92Å; D206-P348 WeakPolarHBondContact O-CD 3.49Å; D206-P348 WeakPolarHBondContact O-CG 3.49Å |
| 207 | L | 98.2 | Very high | 97.2 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 130.7 | 178 | -178 | 62.1 | 0 | 0 | 0 | 110.3 | S180 Y181 I205 I209 P348 I350 Q407 L408 V411 | S180-L207 CarbonylContact C-O 3.54Å; S180-L207 WeakPolarHBondContact CA-O 3.41Å; Y181-L207 PolarHBondContact N-O 2.89Å; I205-L207 WeakPolarHBondContact CG2-O 3.11Å; L207-I209 HydrophobicContact CD2-CD1 3.87Å; L207-I209 HydrophobicContact CD2-CG1 3.83Å; L207-I209 HydrophobicContact CG-CD1 4.49Å; L207-I209 HydrophobicContact CG-CG1 3.93Å; L207-P348 HydrophobicContact CD1-CB 4.18Å; L207-I350 HydrophobicContact CD1-CD1 3.93Å; L207-I350 HydrophobicContact CD1-CG1 4Å; L207-I350 HydrophobicContact CD2-CD1 4.41Å; L207-Q407 HydrophobicContact CD2-CB 4.07Å; L207-L408 HydrophobicContact CD2-CD2 4.27Å; L207-V411 HydrophobicContact CB-CG1 4.41Å; L207-V411 HydrophobicContact CB-CG2 3.99Å; L207-V411 HydrophobicContact CD2-CG2 3.94Å |
| 208 | F | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 0% | 0.004 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 112.5 | 167.4 | 172.7 | -158.2 | 0 | 0 | 0 | 110.2 | Y181 C188 A191 L192 F195 I205 A210 L347 P348 I349 I350 | Y181-F208 AromaticContact CD1-CD2 3.55Å; Y181-F208 HydrophobicContact CD1-CD2 3.55Å; Y181-F208 AromaticContact CD1-CE2 3.67Å; Y181-F208 HydrophobicContact CD1-CE2 3.67Å; Y181-F208 HydrophobicContact CD1-CG 4.45Å; Y181-F208 HydrophobicContact CE1-CD2 4.24Å; Y181-F208 AromaticContact CE1-CE2 3.88Å; Y181-F208 HydrophobicContact CE1-CE2 3.88Å; Y181-F208 CarbonylContact O-C 3.59Å; Y181-F208 WeakPolarHBondContact O-CA 3.22Å; C188-F208 HydrophobicContact CB-CZ 3.99Å; A191-F208 HydrophobicContact CB-CE1 4.13Å; A191-F208 HydrophobicContact CB-CE2 4.18Å; A191-F208 HydrophobicContact CB-CZ 3.82Å; L192-F208 HydrophobicContact CD2-CE1 4.11Å; L192-F208 HydrophobicContact CG-CE1 4.22Å; F195-F208 HydrophobicContact CD2-CD1 4.48Å; F195-F208 HydrophobicContact CE2-CD1 4.18Å; F195-F208 HydrophobicContact CE2-CG 4.38Å; I205-F208 HydrophobicContact CG2-CB 4.4Å; F208-A210 HydrophobicContact CD2-CB 4.45Å; F208-A210 HydrophobicContact CE1-CB 4.39Å; F208-A210 HydrophobicContact CE2-CB 3.79Å; F208-A210 HydrophobicContact CZ-CB 3.75Å; F208-L347 HydrophobicContact CB-CD1 3.78Å; F208-L347 HydrophobicContact CB-CG 4.43Å; F208-L347 HydrophobicContact CD1-CD1 4.38Å; F208-P348 PolarHBondContact N-O 3.03Å; F208-I349 HydrophobicContact CB-CG1 4.27Å; F208-I349 HydrophobicContact CD1-CD1 3.96Å; F208-I349 HydrophobicContact CD1-CG1 3.89Å; F208-I349 HydrophobicContact CD1-CG2 3.98Å; F208-I349 HydrophobicContact CE1-CD1 4.47Å; F208-I349 HydrophobicContact CE1-CG2 4.39Å; F208-I349 HydrophobicContact CG-CG1 4.48Å; F208-I349 HydrophobicContact CG-CG2 4.39Å; F208-I349 CarbonylContact O-C 3.49Å; F208-I349 VanDerWaalsContact O-CA 3.29Å; F208-I349 WeakPolarHBondContact O-CA 3.27Å; F208-I350 PolarHBondContact O-N 3.26Å |
| 209 | I | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 113.3 | 171.2 | -59.5 | 179.9 | 0 | 0 | 0 | 109 | Y181 I182 G183 L207 L211 Y352 I404 L408 | Y181-I209 PolarHBondContact O-N 3.14Å; I182-I209 VanDerWaalsContact CA-O 3.31Å; I182-I209 WeakPolarHBondContact CA-O 3.14Å; I182-I209 HydrophobicContact CB-CB 4.39Å; I182-I209 HydrophobicContact CD1-CD1 4.14Å; I182-I209 HydrophobicContact CG1-CB 4.07Å; I182-I209 HydrophobicContact CG1-CD1 4.34Å; I182-I209 HydrophobicContact CG2-CB 4.13Å; I182-I209 HydrophobicContact CG2-CG2 4.06Å; G183-I209 PolarHBondContact N-O 3.24Å; L207-I209 HydrophobicContact CD2-CD1 3.87Å; L207-I209 HydrophobicContact CD2-CG1 3.83Å; L207-I209 HydrophobicContact CG-CD1 4.49Å; L207-I209 HydrophobicContact CG-CG1 3.93Å; I209-L211 HydrophobicContact CG2-CD2 3.8Å; I209-L211 HydrophobicContact CG2-CG 4.43Å; I209-Y352 HydrophobicContact CG2-CD2 3.82Å; I209-Y352 HydrophobicContact CG2-CE2 3.7Å; I209-I404 HydrophobicContact CD1-CB 4.47Å; I209-I404 HydrophobicContact CD1-CG2 3.8Å; I209-I404 HydrophobicContact CG2-CD1 4.45Å; I209-I404 HydrophobicContact CG2-CG1 4.35Å; I209-L408 HydrophobicContact CD1-CD2 4.1Å; I209-L408 HydrophobicContact CD1-CG 4.1Å |
| 210 | A | 98.8 | Very high | 97.3 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 2% | 0.017 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 110.7 | -179 | 0 | 0 | 0 | 0 | 0 | 110.7 | C188 F208 P213 I349 I350 I351 Y352 | C188-A210 HydrophobicContact CB-CB 4.45Å; C188-A210 VanDerWaalsContact SG-CA 3.54Å; F208-A210 HydrophobicContact CD2-CB 4.45Å; F208-A210 HydrophobicContact CE1-CB 4.39Å; F208-A210 HydrophobicContact CE2-CB 3.79Å; F208-A210 HydrophobicContact CZ-CB 3.75Å; A210-P213 HydrophobicContact CB-CB 4.18Å; A210-P213 HydrophobicContact CB-CG 4.13Å; A210-I349 HydrophobicContact CB-CG2 4.5Å; A210-I350 PolarHBondContact N-O 3.23Å; A210-I351 HydrophobicContact CB-CG1 4.29Å; A210-Y352 PolarHBondContact O-N 2.83Å |
| 211 | L | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 115.4 | 175.7 | -49.4 | -178.3 | 0 | 0 | 0 | 109.3 | W106 I182 G183 H184 S185 I209 Y352 F390 L400 I404 | W106-L211 HydrophobicContact CH2-CD1 4.2Å; W106-L211 HydrophobicContact CZ3-CD1 4.18Å; I182-L211 HydrophobicContact CG2-CD1 3.85Å; I182-L211 HydrophobicContact CG2-CG 4.03Å; G183-L211 WeakPolarHBondContact O-CB 3.33Å; G183-L211 PolarHBondContact O-N 3.48Å; H184-L211 WeakPolarHBondContact CA-O 3.37Å; H184-L211 HydrophobicContact CB-CB 4.43Å; S185-L211 PolarHBondContact N-O 3.32Å; I209-L211 HydrophobicContact CG2-CD2 3.8Å; I209-L211 HydrophobicContact CG2-CG 4.43Å; L211-Y352 HydrophobicContact CD2-CD2 3.71Å; L211-Y352 HydrophobicContact CD2-CG 3.96Å; L211-F390 HydrophobicContact CB-CB 4.13Å; L211-F390 HydrophobicContact CB-CD1 4.3Å; L211-F390 HydrophobicContact CB-CG 4.37Å; L211-L400 HydrophobicContact CD2-CD1 4.48Å; L211-I404 HydrophobicContact CD1-CD1 4.36Å; L211-I404 HydrophobicContact CD2-CD1 4.02Å |
| 212 | A | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | S | Bend | trans | 48 | 57.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114 | S185 A214 Y352 D357 A360 F390 | S185-A212 WeakPolarHBondContact CA-O 3.22Å; A212-A214 PolarHBondContact O-N 2.88Å; A212-Y352 PolarHBondContact N-O 2.9Å; A212-D357 WeakPolarHBondContact CB-OD2 3.4Å; A212-A360 HydrophobicContact CB-CB 4.1Å; A212-A360 WeakPolarHBondContact O-CB 3.4Å; A212-F390 HydrophobicContact CB-CD2 3.74Å; A212-F390 HydrophobicContact CB-CE2 3.85Å; A212-F390 HydrophobicContact CB-CG 4.36Å |
| 213 | P | 98.2 | Very high | 96.6 | Very high | 4 Ų | 4 | 16.3 Ų | 16.3 | 3% | 0.026 | 10% | 0.097 | C | C | . | . | trans | -65.4 | 122.1 | -171.2 | 24.6 | -32.8 | 0 | 0 | 0 | 113.5 | C188 A210 A215 I351 I365 L368 | C188-P213 HydrophobicContact CB-CB 3.52Å; A210-P213 HydrophobicContact CB-CB 4.18Å; A210-P213 HydrophobicContact CB-CG 4.13Å; P213-A215 PolarHBondContact O-N 2.94Å; P213-I351 HydrophobicContact CG-CG2 3.88Å; P213-I365 HydrophobicContact CG-CD1 3.5Å; P213-I365 VanDerWaalsContact CG-CD1 3.5Å; P213-I365 WeakPolarHBondContact O-CD1 3.39Å; P213-L368 HydrophobicContact CB-CD2 3.82Å; P213-L368 HydrophobicContact CG-CD2 3.75Å | ||
| 214 | A | 94.5 | Very high | 96.3 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.008 | 8% | 0.079 | C | C | . | . | trans | -94.4 | 57.9 | -176 | 0 | 0 | 0 | 0 | 0 | 113.2 | S185 A212 L217 | S185-A214 PolarHBondContact O-N 3Å; A212-A214 PolarHBondContact O-N 2.88Å; A214-L217 HydrophobicContact CB-CD2 4.38Å | ||
| 215 | A | 95.5 | Very high | 96.1 | Very high | 4 Ų | 4 | 15.8 Ų | 15.8 | 3% | 0.033 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -86.9 | -41 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114 | L192 P213 F318 L368 | L192-A215 HydrophobicContact CD1-CB 3.81Å; P213-A215 PolarHBondContact O-N 2.94Å; A215-F318 HydrophobicContact CB-CD2 4.32Å; A215-F318 WeakPolarHBondContact O-CD2 3.49Å; A215-L368 HydrophobicContact CB-CD1 3.93Å; A215-L368 HydrophobicContact CB-CD2 4.1Å; A215-L368 HydrophobicContact CB-CG 4.48Å |
| 216 | Y | 97.1 | Very high | 95.7 | Very high | 9 Ų | 9 | 21 Ų | 21 | 4% | 0.035 | 11% | 0.105 | C | C | . | . | trans | -112.7 | 144.4 | 174.2 | -65.3 | -77.1 | 0 | 0 | 0 | 109.3 | F318 D364 K367 L368 Q371 | Y216-F318 HydrophobicContact CE1-CB 3.88Å; Y216-D364 VanDerWaalsContact O-CB 3.26Å; Y216-D364 WeakPolarHBondContact O-CB 3.2Å; Y216-K367 HydrophobicContact CD1-CD 3.81Å; Y216-K367 HydrophobicContact CD1-CG 4.42Å; Y216-K367 HydrophobicContact CD2-CB 4.15Å; Y216-K367 HydrophobicContact CD2-CD 4.17Å; Y216-K367 HydrophobicContact CD2-CG 4.01Å; Y216-K367 HydrophobicContact CE1-CD 4.21Å; Y216-K367 HydrophobicContact CE2-CG 4.14Å; Y216-K367 HydrophobicContact CG-CB 4.48Å; Y216-K367 HydrophobicContact CG-CD 3.81Å; Y216-K367 HydrophobicContact CG-CG 4.18Å; Y216-L368 HydrophobicContact CD2-CB 4.07Å; Y216-L368 HydrophobicContact CE2-CB 4.17Å; Y216-L368 HydrophobicContact CE2-CD1 4.34Å; Y216-Q371 PolarHBondContact OH-NE2 2.84Å; Y216-Q371 PolarHBondContact OH-OE1 3.19Å | ||
| 217 | L | 96.6 | Very high | 95.3 | Very high | 6 Ų | 6 | 20.3 Ų | 20.3 | 3% | 0.031 | 10% | 0.101 | C | C | . | . | trans | -134 | 11 | -173.7 | -56.1 | 170.6 | 0 | 0 | 0 | 112.6 | A214 S219 I220 Y309 I313 | A214-L217 HydrophobicContact CB-CD2 4.38Å; L217-S219 PolarHBondContact O-N 2.86Å; L217-I220 HydrophobicContact CB-CG2 3.93Å; L217-I220 HydrophobicContact CD2-CG2 3.91Å; L217-I220 WeakPolarHBondContact O-CG2 3.43Å; L217-Y309 HydrophobicContact CD1-CD1 3.4Å; L217-Y309 VanDerWaalsContact CD1-CD1 3.4Å; L217-Y309 HydrophobicContact CD1-CE1 3.9Å; L217-Y309 HydrophobicContact CD1-CG 4.23Å; L217-I313 HydrophobicContact CB-CG1 3.74Å; L217-I313 HydrophobicContact CD1-CG1 4.38Å | ||
| 218 | G | 96.3 | Very high | 95 | Very high | 34 Ų | 34 | 20.3 Ų | 20.3 | 35% | 0.351 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -21.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | D316 D364 | G218-D316 PolarHBondContact N-OD1 3.11Å; G218-D364 PolarHBondContact N-OD1 3.16Å |
| 219 | S | 97.1 | Very high | 94.7 | Very high | 40 Ų | 40 | 22.9 Ų | 22.9 | 28% | 0.28 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 18.7 | -178.3 | -62.3 | 0 | 0 | 0 | 0 | 114.3 | L217 S361 D364 | L217-S219 PolarHBondContact O-N 2.86Å; S219-S361 WeakPolarHBondContact CB-OG 3.29Å; S219-S361 WeakPolarHBondContact O-CB 3.32Å; S219-S361 PolarHBondContact O-OG 3.22Å; S219-D364 VanDerWaalsContact C-OD2 3.28Å; S219-D364 WeakPolarHBondContact CA-OD2 3.47Å; S219-D364 WeakPolarHBondContact CB-OD1 3.44Å; S219-D364 WeakPolarHBondContact CB-OD2 3.13Å; S219-D364 PolarHBondContact N-OD1 3.38Å; S219-D364 PolarHBondContact N-OD2 2.82Å |
| 220 | I | 96.1 | Very high | 94.1 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.015 | 15% | 0.147 | C | C | . | . | trans | -59.7 | 149.4 | 179.6 | 69.8 | 171.6 | 0 | 0 | 0 | 112.5 | L217 I224 R225 I313 W358 L359 D364 | L217-I220 HydrophobicContact CB-CG2 3.93Å; L217-I220 HydrophobicContact CD2-CG2 3.91Å; L217-I220 WeakPolarHBondContact O-CG2 3.43Å; I220-I224 HydrophobicContact CD1-CG2 3.69Å; I220-R225 HydrophobicContact CD1-CB 4.08Å; I220-R225 HydrophobicContact CG1-CB 3.89Å; I220-R225 WeakPolarHBondContact O-CD 3.18Å; I220-R225 PolarHBondContact O-NH1 3.33Å; I220-I313 HydrophobicContact CD1-CD1 3.42Å; I220-I313 VanDerWaalsContact CD1-CD1 3.42Å; I220-I313 HydrophobicContact CD1-CG1 3.61Å; I220-I313 HydrophobicContact CG1-CG1 4.34Å; I220-W358 WeakPolarHBondContact CB-O 3.37Å; I220-L359 WeakPolarHBondContact CG2-O 3.43Å; I220-D364 PolarHBondContact N-OD2 2.82Å | ||
| 221 | K | 93.7 | Very high | 93.3 | Very high | 86 Ų | 86 | 29.6 Ų | 29.6 | 37% | 0.374 | 15% | 0.147 | S | C | . | . | trans | -93.3 | -20.8 | 174.5 | -55.2 | 172.8 | -172.2 | 154.8 | 0 | 111.8 | G355 D357 W358 | K221-G355 PolarHBondContact NZ-O 3.38Å; K221-D357 PolarHBondContact NZ-O 3.08Å; K221-W358 HydrophobicContact CB-CB 4.22Å; K221-W358 HydrophobicContact CB-CG 4.04Å; K221-W358 PolarHBondContact N-O 3.35Å | ||
| 222 | S | 92.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -53.5 | 134.8 | -178.9 | -175.3 | 0 | 0 | 0 | 0 | 111.7 | I224 R225 L277 W358 | S222-I224 PolarHBondContact O-N 3.45Å; S222-I224 VanDerWaalsContact O-N 3.07Å; S222-R225 WeakPolarHBondContact O-CB 3.48Å; S222-R225 WeakPolarHBondContact O-CD 3.49Å; S222-R225 VanDerWaalsContact O-CG 3.28Å; S222-R225 WeakPolarHBondContact O-CG 3.34Å; S222-R225 PolarHBondContact O-N 3.18Å; S222-R225 VanDerWaalsContact O-N 3.17Å; S222-L277 WeakPolarHBondContact CB-O 3.29Å; S222-L277 PolarHBondContact OG-O 2.79Å; S222-W358 PolarHBondContact N-O 2.94Å; S222-W358 VanDerWaalsContact N-O 3.16Å |
| 223 | P | 89.4 | Confident | 90.7 | Very high | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.032 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -62.3 | -17.6 | -177.2 | -20.4 | 30.3 | 0 | 0 | 0 | 114.5 | R225 Y226 F255 L256 F259 W358 | P223-R225 PolarHBondContact O-N 2.91Å; P223-Y226 HydrophobicContact CB-CD2 4.31Å; P223-Y226 VanDerWaalsContact O-CD2 3.25Å; P223-Y226 WeakPolarHBondContact O-CD2 3.35Å; P223-Y226 PolarHBondContact O-N 3.23Å; P223-F255 HydrophobicContact CB-CE1 4.26Å; P223-F255 WeakPolarHBondContact O-CE1 3.24Å; P223-L256 HydrophobicContact CB-CD2 3.88Å; P223-L256 HydrophobicContact CG-CD2 4.44Å; P223-F259 HydrophobicContact CB-CB 4.11Å; P223-F259 HydrophobicContact CB-CD1 4.06Å; P223-F259 HydrophobicContact CB-CD2 3.49Å; P223-F259 VanDerWaalsContact CB-CD2 3.49Å; P223-F259 HydrophobicContact CB-CE1 4.37Å; P223-F259 HydrophobicContact CB-CE2 3.86Å; P223-F259 HydrophobicContact CB-CG 3.61Å; P223-F259 HydrophobicContact CB-CZ 4.28Å; P223-F259 HydrophobicContact CG-CB 3.48Å; P223-F259 VanDerWaalsContact CG-CB 3.48Å; P223-F259 HydrophobicContact CG-CD1 4.09Å; P223-F259 HydrophobicContact CG-CD2 3.87Å; P223-F259 HydrophobicContact CG-CG 3.54Å; P223-W358 HydrophobicContact CG-CZ3 4.33Å |
| 224 | I | 90.5 | Very high | 89.7 | Confident | 9 Ų | 9 | 45.8 Ų | 45.8 | 5% | 0.046 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -52 | -27.8 | 173.8 | -163 | 78.4 | 0 | 0 | 0 | 112.3 | I220 S222 Y226 I227 A228 F241 I252 L256 L277 I313 | I220-I224 HydrophobicContact CD1-CG2 3.69Å; S222-I224 PolarHBondContact O-N 3.45Å; S222-I224 VanDerWaalsContact O-N 3.07Å; I224-Y226 PolarHBondContact O-N 2.77Å; I224-Y226 VanDerWaalsContact O-N 3.11Å; I224-I227 HydrophobicContact CD1-CD1 3.71Å; I224-I227 HydrophobicContact CD1-CG1 4Å; I224-I227 HydrophobicContact CG1-CG1 4.34Å; I224-I227 VanDerWaalsContact O-CG1 3.26Å; I224-I227 WeakPolarHBondContact O-CG1 3.41Å; I224-I227 PolarHBondContact O-N 2.97Å; I224-A228 PolarHBondContact O-N 3.49Å; I224-F241 HydrophobicContact CD1-CE1 4.39Å; I224-I252 HydrophobicContact CD1-CD1 3.66Å; I224-L256 HydrophobicContact CB-CD2 4.43Å; I224-L277 HydrophobicContact CB-CD2 3.98Å; I224-L277 HydrophobicContact CD1-CD2 4.02Å; I224-L277 HydrophobicContact CG1-CD2 4.22Å; I224-L277 HydrophobicContact CG2-CD2 4.41Å; I224-I313 HydrophobicContact CG2-CD1 3.92Å |
| 225 | R | 92.8 | Very high | 88.7 | Confident | 99 Ų | 99 | 53.5 Ų | 53.5 | 37% | 0.374 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -57.6 | -26.3 | 177.4 | 76.1 | -170.5 | -174.4 | 162.7 | 2 | 114.6 | I220 S222 P223 P229 I313 | I220-R225 HydrophobicContact CD1-CB 4.08Å; I220-R225 HydrophobicContact CG1-CB 3.89Å; I220-R225 WeakPolarHBondContact O-CD 3.18Å; I220-R225 PolarHBondContact O-NH1 3.33Å; S222-R225 WeakPolarHBondContact O-CB 3.48Å; S222-R225 WeakPolarHBondContact O-CD 3.49Å; S222-R225 VanDerWaalsContact O-CG 3.28Å; S222-R225 WeakPolarHBondContact O-CG 3.34Å; S222-R225 PolarHBondContact O-N 3.18Å; S222-R225 VanDerWaalsContact O-N 3.17Å; P223-R225 PolarHBondContact O-N 2.91Å; R225-P229 WeakPolarHBondContact O-CD 3.13Å; R225-I313 HydrophobicContact CB-CG2 4.07Å |
| 226 | Y | 91.4 | Very high | 87.9 | Confident | 113 Ų | 113 | 54.5 Ų | 54.5 | 44% | 0.443 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -76.8 | -26.6 | -179.9 | -64.6 | -64.7 | 0 | 0 | 0 | 112.3 | P223 I224 F230 F255 F259 | P223-Y226 HydrophobicContact CB-CD2 4.31Å; P223-Y226 VanDerWaalsContact O-CD2 3.25Å; P223-Y226 WeakPolarHBondContact O-CD2 3.35Å; P223-Y226 PolarHBondContact O-N 3.23Å; I224-Y226 PolarHBondContact O-N 2.77Å; I224-Y226 VanDerWaalsContact O-N 3.11Å; Y226-F230 VanDerWaalsContact O-CE2 3.32Å; Y226-F230 WeakPolarHBondContact O-CE2 3.36Å; Y226-F255 HydrophobicContact CD2-CZ 4.29Å; Y226-F259 AromaticContact CD2-CE1 3.99Å; Y226-F259 HydrophobicContact CD2-CE1 3.99Å; Y226-F259 AromaticContact CD2-CZ 3.8Å; Y226-F259 HydrophobicContact CD2-CZ 3.8Å; Y226-F259 HydrophobicContact CE2-CD1 4.44Å; Y226-F259 AromaticContact CE2-CE1 3.62Å; Y226-F259 HydrophobicContact CE2-CE1 3.62Å; Y226-F259 AromaticContact CE2-CZ 3.93Å; Y226-F259 HydrophobicContact CE2-CZ 3.93Å |
| 227 | I | 89.2 | Confident | 87.2 | Confident | 9 Ų | 9 | 55 Ų | 55 | 5% | 0.046 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -21.1 | 177.7 | 66.9 | 167.3 | 0 | 0 | 0 | 112.8 | I224 P229 F230 W240 F241 I252 F255 | I224-I227 HydrophobicContact CD1-CD1 3.71Å; I224-I227 HydrophobicContact CD1-CG1 4Å; I224-I227 HydrophobicContact CG1-CG1 4.34Å; I224-I227 VanDerWaalsContact O-CG1 3.26Å; I224-I227 WeakPolarHBondContact O-CG1 3.41Å; I224-I227 PolarHBondContact O-N 2.97Å; I227-P229 VanDerWaalsContact C-CD 3.4Å; I227-P229 VanDerWaalsContact C-N 3.32Å; I227-F230 PolarHBondContact O-N 2.97Å; I227-W240 HydrophobicContact CD1-CD2 4Å; I227-W240 HydrophobicContact CD1-CE3 3.57Å; I227-W240 HydrophobicContact CD1-CZ3 3.97Å; I227-W240 HydrophobicContact CG2-CH2 3.84Å; I227-W240 HydrophobicContact CG2-CZ2 4.07Å; I227-W240 HydrophobicContact CG2-CZ3 4.07Å; I227-F241 HydrophobicContact CD1-CE1 4.33Å; I227-I252 HydrophobicContact CD1-CD1 4.14Å; I227-F255 HydrophobicContact CG2-CD1 4.06Å; I227-F255 HydrophobicContact CG2-CE1 3.75Å; I227-F255 HydrophobicContact CG2-CE2 4.22Å; I227-F255 HydrophobicContact CG2-CG 4.45Å; I227-F255 HydrophobicContact CG2-CZ 3.87Å |
| 228 | A | 91.9 | Very high | 86.4 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.008 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | -39.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | I224 F230 V231 C310 I313 V314 | I224-A228 PolarHBondContact O-N 3.49Å; A228-F230 PolarHBondContact O-N 3.3Å; A228-V231 WeakPolarHBondContact O-CG2 3.27Å; A228-C310 HydrophobicContact CB-CB 3.82Å; A228-I313 HydrophobicContact CB-CB 3.9Å; A228-I313 HydrophobicContact CB-CD1 3.94Å; A228-I313 HydrophobicContact CB-CG2 3.76Å; A228-V314 HydrophobicContact CB-CG2 4.22Å |
| 229 | P | 91.8 | Very high | 85.6 | Confident | 56 Ų | 56 | 61 Ų | 61 | 36% | 0.364 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -18 | 177.3 | -23.9 | 35.6 | 0 | 0 | 0 | 115.4 | R225 I227 K232 V314 | R225-P229 WeakPolarHBondContact O-CD 3.13Å; I227-P229 VanDerWaalsContact C-CD 3.4Å; I227-P229 VanDerWaalsContact C-N 3.32Å; P229-K232 VanDerWaalsContact O-CD 3.31Å; P229-K232 WeakPolarHBondContact O-CD 3.33Å; P229-K232 WeakPolarHBondContact O-CE 3.38Å; P229-V314 HydrophobicContact CB-CG2 4.32Å; P229-V314 HydrophobicContact CG-CG2 4.2Å |
| 230 | F | 86 | Confident | 84.9 | Confident | 139 Ų | 139 | 61.3 Ų | 61.3 | 61% | 0.61 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | -23.2 | -172.9 | -57 | -74.8 | 0 | 0 | 0 | 113.4 | Y226 I227 A228 K232 P236 | Y226-F230 VanDerWaalsContact O-CE2 3.32Å; Y226-F230 WeakPolarHBondContact O-CE2 3.36Å; I227-F230 PolarHBondContact O-N 2.97Å; A228-F230 PolarHBondContact O-N 3.3Å; F230-K232 PolarHBondContact O-N 2.89Å; F230-P236 VanDerWaalsContact O-CB 3.25Å; F230-P236 WeakPolarHBondContact O-CB 3.41Å; F230-P236 WeakPolarHBondContact O-CG 3.46Å |
| 231 | V | 82.2 | Confident | 84.3 | Confident | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.018 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 53.3 | 177.8 | -67.9 | 0 | 0 | 0 | 0 | 111.8 | A228 P236 V237 W240 F241 C310 | A228-V231 WeakPolarHBondContact O-CG2 3.27Å; V231-P236 HydrophobicContact CG1-CB 4.45Å; V231-V237 HydrophobicContact CB-CG2 4.19Å; V231-W240 HydrophobicContact CG1-CB 4.14Å; V231-W240 HydrophobicContact CG1-CG 4.25Å; V231-F241 HydrophobicContact CB-CE2 3.82Å; V231-F241 HydrophobicContact CB-CZ 4.39Å; V231-F241 HydrophobicContact CG1-CD2 4.33Å; V231-F241 HydrophobicContact CG1-CE2 3.71Å; V231-F241 HydrophobicContact CG1-CZ 3.96Å; V231-F241 HydrophobicContact CG2-CE2 3.86Å; V231-F241 HydrophobicContact CG2-CZ 4.15Å; V231-C310 HydrophobicContact CG2-CB 3.32Å; V231-C310 WeakPolarHBondContact CG2-SG 3.49Å |
| 232 | K | 72.4 | Confident | 83.9 | Confident | 146 Ų | 146 | 58.3 Ų | 58.3 | 64% | 0.635 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | -16.4 | 179.1 | -66.3 | -178.9 | 178.4 | 176 | 0 | 113.4 | P229 F230 | P229-K232 VanDerWaalsContact O-CD 3.31Å; P229-K232 WeakPolarHBondContact O-CD 3.33Å; P229-K232 WeakPolarHBondContact O-CE 3.38Å; F230-K232 PolarHBondContact O-N 2.89Å |
| 233 | T | 70.8 | Confident | 83.5 | Confident | 83 Ų | 83 | 63.4 Ų | 63.4 | 51% | 0.509 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -125.4 | 159.4 | -177 | 54.2 | 0 | 0 | 0 | 0 | 110.3 | E235 P236 V237 | T233-E235 VanDerWaalsContact C-N 3.31Å; T233-E235 PolarHBondContact O-N 2.85Å; T233-P236 WeakPolarHBondContact O-CD 3.4Å; T233-P236 WeakPolarHBondContact OG1-CD 3.26Å; T233-P236 WeakPolarHBondContact OG1-CG 3.32Å; T233-V237 VanDerWaalsContact O-CG2 3.25Å; T233-V237 WeakPolarHBondContact O-CG2 3Å; T233-V237 PolarHBondContact O-N 3.09Å; T233-V237 VanDerWaalsContact O-N 3.13Å |
| 234 | V | 75.8 | Confident | 83.5 | Confident | 115 Ų | 115 | 63.7 Ų | 63.7 | 70% | 0.697 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -56.9 | -43.3 | -173.3 | 178.7 | 0 | 0 | 0 | 0 | 112 | V237 V238 | V234-V237 PolarHBondContact O-N 2.95Å; V234-V238 HydrophobicContact CG1-CG2 4.09Å; V234-V238 VanDerWaalsContact O-CG2 3.32Å; V234-V238 WeakPolarHBondContact O-CG2 3.48Å; V234-V238 PolarHBondContact O-N 3.47Å |
| 235 | E | 73.9 | Confident | 83.6 | Confident | 163 Ų | 163 | 66.8 Ų | 66.8 | 76% | 0.762 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -59.5 | -57.9 | -177.9 | -80.4 | 171.8 | 178.7 | 0 | 0 | 113.1 | T233 V237 V238 E239 | T233-E235 VanDerWaalsContact C-N 3.31Å; T233-E235 PolarHBondContact O-N 2.85Å; E235-V237 VanDerWaalsContact C-N 3.28Å; E235-V237 PolarHBondContact O-N 2.8Å; E235-V238 PolarHBondContact O-N 2.82Å; E235-E239 WeakPolarHBondContact O-CB 3.41Å; E235-E239 PolarHBondContact O-N 3.14Å |
| 236 | P | 77.9 | Confident | 83.4 | Confident | 25 Ų | 25 | 62.2 Ų | 62.2 | 16% | 0.162 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -55.6 | -38.8 | 171.6 | -28.2 | 34 | 0 | 0 | 0 | 113.8 | F230 V231 T233 E239 W240 | F230-P236 VanDerWaalsContact O-CB 3.25Å; F230-P236 WeakPolarHBondContact O-CB 3.41Å; F230-P236 WeakPolarHBondContact O-CG 3.46Å; V231-P236 HydrophobicContact CG1-CB 4.45Å; T233-P236 WeakPolarHBondContact O-CD 3.4Å; T233-P236 WeakPolarHBondContact OG1-CD 3.26Å; T233-P236 WeakPolarHBondContact OG1-CG 3.32Å; P236-E239 PolarHBondContact O-N 2.87Å; P236-W240 WeakPolarHBondContact O-CB 3.27Å; P236-W240 PolarHBondContact O-N 2.97Å |
| 237 | V | 83.5 | Confident | 82.9 | Confident | 21 Ų | 21 | 62.3 Ų | 62.3 | 13% | 0.127 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.8 | -49.5 | 178.6 | 169.4 | 0 | 0 | 0 | 0 | 110.4 | V231 T233 V234 E235 E239 W240 F241 G242 V303 V307 | V231-V237 HydrophobicContact CB-CG2 4.19Å; T233-V237 VanDerWaalsContact O-CG2 3.25Å; T233-V237 WeakPolarHBondContact O-CG2 3Å; T233-V237 PolarHBondContact O-N 3.09Å; T233-V237 VanDerWaalsContact O-N 3.13Å; V234-V237 PolarHBondContact O-N 2.95Å; E235-V237 VanDerWaalsContact C-N 3.28Å; E235-V237 PolarHBondContact O-N 2.8Å; V237-E239 VanDerWaalsContact C-N 3.31Å; V237-E239 PolarHBondContact O-N 2.99Å; V237-W240 PolarHBondContact O-N 3.01Å; V237-F241 HydrophobicContact CG1-CD2 4.48Å; V237-F241 WeakPolarHBondContact O-CA 3.26Å; V237-F241 WeakPolarHBondContact O-CB 3.42Å; V237-F241 PolarHBondContact O-N 3.09Å; V237-G242 PolarHBondContact O-N 2.8Å; V237-V303 HydrophobicContact CG1-CG1 3.35Å; V237-V307 HydrophobicContact CB-CG2 4.32Å; V237-V307 HydrophobicContact CG1-CG2 3.7Å; V237-V307 HydrophobicContact CG2-CG2 3.6Å |
| 238 | V | 80.2 | Confident | 82.2 | Confident | 73 Ų | 73 | 63.8 Ų | 63.8 | 44% | 0.442 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.1 | -41 | 177.4 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | V234 E235 G242 | V234-V238 HydrophobicContact CG1-CG2 4.09Å; V234-V238 VanDerWaalsContact O-CG2 3.32Å; V234-V238 WeakPolarHBondContact O-CG2 3.48Å; V234-V238 PolarHBondContact O-N 3.47Å; E235-V238 PolarHBondContact O-N 2.82Å; V238-G242 WeakPolarHBondContact CA-O 3.4Å; V238-G242 VanDerWaalsContact O-CA 3.31Å; V238-G242 WeakPolarHBondContact O-CA 3.47Å; V238-G242 PolarHBondContact O-N 3.46Å; V238-G242 VanDerWaalsContact O-N 3.08Å |
| 239 | E | 79.9 | Confident | 81.3 | Confident | 92 Ų | 92 | 65.1 Ų | 65.1 | 43% | 0.43 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 179.5 | -176.7 | -176.1 | 179.1 | 0 | 0 | 113.1 | E235 P236 V237 K251 | E235-E239 WeakPolarHBondContact O-CB 3.41Å; E235-E239 PolarHBondContact O-N 3.14Å; P236-E239 PolarHBondContact O-N 2.87Å; V237-E239 VanDerWaalsContact C-N 3.31Å; V237-E239 PolarHBondContact O-N 2.99Å; E239-K251 HydrophobicContact CG-CD 3.96Å; E239-K251 IonicContact OE1-NZ 3.85Å; E239-K251 PolarHBondContact OE1-NZ 2.86Å |
| 240 | W | 80.7 | Confident | 80.3 | Confident | 46 Ų | 46 | 64.7 Ų | 64.7 | 17% | 0.174 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -89.2 | -39.8 | -173 | -76.4 | 93.6 | 0 | 0 | 0 | 112.8 | I227 V231 P236 V237 S249 K251 I252 F255 | I227-W240 HydrophobicContact CD1-CD2 4Å; I227-W240 HydrophobicContact CD1-CE3 3.57Å; I227-W240 HydrophobicContact CD1-CZ3 3.97Å; I227-W240 HydrophobicContact CG2-CH2 3.84Å; I227-W240 HydrophobicContact CG2-CZ2 4.07Å; I227-W240 HydrophobicContact CG2-CZ3 4.07Å; V231-W240 HydrophobicContact CG1-CB 4.14Å; V231-W240 HydrophobicContact CG1-CG 4.25Å; P236-W240 WeakPolarHBondContact O-CB 3.27Å; P236-W240 PolarHBondContact O-N 2.97Å; V237-W240 PolarHBondContact O-N 3.01Å; W240-S249 PolarHBondContact O-OG 3.44Å; W240-K251 HydrophobicContact CZ3-CB 4.45Å; W240-I252 HydrophobicContact CE3-CB 4.1Å; W240-F255 HydrophobicContact CH2-CB 4.15Å; W240-F255 HydrophobicContact CH2-CD2 4.47Å; W240-F255 HydrophobicContact CH2-CG 4.2Å; W240-F255 HydrophobicContact CZ3-CB 3.83Å; W240-F255 HydrophobicContact CZ3-CD1 4.38Å; W240-F255 HydrophobicContact CZ3-CG 4.08Å |
| 241 | F | 84.4 | Confident | 79.9 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 0% | 0.004 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -117.4 | -18.4 | -168.2 | -56.9 | -32.2 | 0 | 0 | 0 | 113.8 | I224 I227 V231 V237 F246 I252 V303 M306 V307 | I224-F241 HydrophobicContact CD1-CE1 4.39Å; I227-F241 HydrophobicContact CD1-CE1 4.33Å; V231-F241 HydrophobicContact CB-CE2 3.82Å; V231-F241 HydrophobicContact CB-CZ 4.39Å; V231-F241 HydrophobicContact CG1-CD2 4.33Å; V231-F241 HydrophobicContact CG1-CE2 3.71Å; V231-F241 HydrophobicContact CG1-CZ 3.96Å; V231-F241 HydrophobicContact CG2-CE2 3.86Å; V231-F241 HydrophobicContact CG2-CZ 4.15Å; V237-F241 HydrophobicContact CG1-CD2 4.48Å; V237-F241 WeakPolarHBondContact O-CA 3.26Å; V237-F241 WeakPolarHBondContact O-CB 3.42Å; V237-F241 PolarHBondContact O-N 3.09Å; F241-F246 HydrophobicContact CB-CD2 3.86Å; F241-F246 HydrophobicContact CB-CE2 4.1Å; F241-F246 HydrophobicContact CD1-CD2 4.21Å; F241-F246 AromaticContact CD1-CE2 3.63Å; F241-F246 HydrophobicContact CD1-CE2 3.63Å; F241-F246 HydrophobicContact CE1-CE2 4.43Å; F241-F246 HydrophobicContact CG-CD2 4.3Å; F241-F246 HydrophobicContact CG-CE2 4.18Å; F241-I252 HydrophobicContact CD1-CD1 3.95Å; F241-I252 HydrophobicContact CE1-CD1 3.57Å; F241-V303 HydrophobicContact CB-CB 4.45Å; F241-V303 HydrophobicContact CB-CG1 3.77Å; F241-V303 HydrophobicContact CB-CG2 4.07Å; F241-V303 HydrophobicContact CD2-CG1 4.48Å; F241-V303 VanDerWaalsContact O-CG2 3.24Å; F241-V303 WeakPolarHBondContact O-CG2 3.29Å; F241-M306 HydrophobicContact CD2-CB 4.16Å; F241-M306 HydrophobicContact CE2-CB 4.21Å; F241-M306 HydrophobicContact CG-CB 4.37Å; F241-M306 HydrophobicContact CZ-CB 4.45Å; F241-V307 HydrophobicContact CD2-CG2 4.02Å; F241-V307 HydrophobicContact CE2-CG2 4.23Å |
| 242 | G | 85 | Confident | 79.8 | Confident | 25 Ų | 25 | 63 Ų | 63 | 26% | 0.258 | 35% | 0.346 | S | S | . | . | trans | 88.9 | -157.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V237 V238 | V237-G242 PolarHBondContact O-N 2.8Å; V238-G242 WeakPolarHBondContact CA-O 3.4Å; V238-G242 VanDerWaalsContact O-CA 3.31Å; V238-G242 WeakPolarHBondContact O-CA 3.47Å; V238-G242 PolarHBondContact O-N 3.46Å; V238-G242 VanDerWaalsContact O-N 3.08Å | ||
| 243 | N | 83 | Confident | 80.3 | Confident | 107 Ų | 107 | 57.8 Ų | 57.8 | 57% | 0.572 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -137.3 | 127.3 | -179.4 | -178.8 | 41.6 | 0 | 0 | 0 | 109.1 | K148 | K148-N243 WeakPolarHBondContact CE-OD1 3.16Š|
| 244 | G | 90.9 | Very high | 80.7 | Confident | 11 Ų | 11 | 60.4 Ų | 60.4 | 11% | 0.113 | 33% | 0.33 | C | S | . | . | S | Bend | trans | 90.4 | -119.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | W151 V303 | W151-G244 VanDerWaalsContact CB-C 3.42Å; G244-V303 WeakPolarHBondContact O-CG2 3.47Å; G244-V303 PolarHBondContact O-N 3.04Å |
| 245 | E | 91.2 | Very high | 81 | Confident | 74 Ų | 74 | 56.9 Ų | 56.9 | 35% | 0.346 | 31% | 0.306 | S | S | . | . | B | Isolated β-bridge | trans | -61.4 | 136.8 | 171.9 | -169.6 | 175.3 | -177.6 | 0 | 0 | 110.8 | W151 L247 | W151-E245 HydrophobicContact CD2-CB 3.95Å; W151-E245 HydrophobicContact CE3-CB 4.13Å; W151-E245 HydrophobicContact CE3-CG 4.41Å; W151-E245 HydrophobicContact CH2-CB 3.76Å; W151-E245 HydrophobicContact CH2-CG 3.54Å; W151-E245 HydrophobicContact CZ2-CB 3.57Å; W151-E245 HydrophobicContact CZ2-CG 3.85Å; W151-E245 HydrophobicContact CZ3-CB 4.03Å; W151-E245 HydrophobicContact CZ3-CG 3.85Å; E245-L247 HydrophobicContact CG-CD2 4.18Å; E245-L247 HydrophobicContact CG-CG 4.36Å; E245-L247 PolarHBondContact O-N 2.88Å; E245-L247 VanDerWaalsContact O-N 3.16Å |
| 246 | F | 89.7 | Confident | 81.3 | Confident | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | trans | -77.9 | 101.4 | 171.1 | 174.2 | -105.1 | 0 | 0 | 0 | 110.2 | L100 F241 P248 I252 I273 T301 V303 M306 | L100-F246 HydrophobicContact CD1-CD1 4.33Å; L100-F246 HydrophobicContact CD1-CE1 3.95Å; L100-F246 HydrophobicContact CD2-CD1 3.7Å; L100-F246 HydrophobicContact CD2-CE1 4.14Å; F241-F246 HydrophobicContact CB-CD2 3.86Å; F241-F246 HydrophobicContact CB-CE2 4.1Å; F241-F246 HydrophobicContact CD1-CD2 4.21Å; F241-F246 AromaticContact CD1-CE2 3.63Å; F241-F246 HydrophobicContact CD1-CE2 3.63Å; F241-F246 HydrophobicContact CE1-CE2 4.43Å; F241-F246 HydrophobicContact CG-CD2 4.3Å; F241-F246 HydrophobicContact CG-CE2 4.18Å; F246-P248 HydrophobicContact CD1-CG 4.34Å; F246-P248 HydrophobicContact CE1-CB 4.32Å; F246-P248 HydrophobicContact CE1-CG 3.67Å; F246-P248 HydrophobicContact CZ-CB 4.13Å; F246-P248 HydrophobicContact CZ-CG 3.99Å; F246-I252 HydrophobicContact CZ-CD1 4.34Å; F246-I273 HydrophobicContact CE1-CG1 4.46Å; F246-T301 HydrophobicContact CB-CG2 3.9Å; F246-T301 HydrophobicContact CD1-CG2 4.24Å; F246-T301 HydrophobicContact CG-CG2 4.42Å; F246-T301 PolarHBondContact N-O 3.12Å; F246-V303 HydrophobicContact CB-CG2 4.21Å; F246-M306 HydrophobicContact CB-CG 3.97Å; F246-M306 HydrophobicContact CD1-CG 3.96Å; F246-M306 HydrophobicContact CD1-SD 4.25Å; F246-M306 HydrophobicContact CD2-CB 4.46Å; F246-M306 HydrophobicContact CD2-CG 3.71Å; F246-M306 HydrophobicContact CE1-CE 4.27Å; F246-M306 HydrophobicContact CE1-CG 4.34Å; F246-M306 HydrophobicContact CE1-SD 4.32Å; F246-M306 HydrophobicContact CE2-CG 4.16Å; F246-M306 HydrophobicContact CG-CG 3.58Å; F246-M306 HydrophobicContact CG-SD 4.46Å; F246-M306 HydrophobicContact CZ-CE 4.18Å; F246-M306 HydrophobicContact CZ-CG 4.42Å | ||
| 247 | L | 81.4 | Confident | 81.4 | Confident | 114 Ų | 114 | 48.9 Ų | 48.9 | 60% | 0.597 | 27% | 0.27 | S | S | * | . | trans | -103.6 | 112.4 | 167.2 | -60.8 | 178.2 | 0 | 0 | 0 | 107.9 | E245 S249 | E245-L247 HydrophobicContact CG-CD2 4.18Å; E245-L247 HydrophobicContact CG-CG 4.36Å; E245-L247 PolarHBondContact O-N 2.88Å; E245-L247 VanDerWaalsContact O-N 3.16Å; L247-S249 PolarHBondContact O-N 2.86Å | ||
| 248 | P | 74.4 | Confident | 81.4 | Confident | 40 Ų | 40 | 54 Ų | 54 | 26% | 0.26 | 30% | 0.296 | S | S | . | . | trans | -53.2 | 111.4 | -175.5 | -22.7 | 28.3 | 0 | 0 | 0 | 111.5 | F246 I252 M253 I273 | F246-P248 HydrophobicContact CD1-CG 4.34Å; F246-P248 HydrophobicContact CE1-CB 4.32Å; F246-P248 HydrophobicContact CE1-CG 3.67Å; F246-P248 HydrophobicContact CZ-CB 4.13Å; F246-P248 HydrophobicContact CZ-CG 3.99Å; P248-I252 HydrophobicContact CB-CG2 4.06Å; P248-M253 HydrophobicContact CB-CG 3.82Å; P248-M253 HydrophobicContact CB-SD 3.71Å; P248-I273 HydrophobicContact CB-CB 4.45Å; P248-I273 HydrophobicContact CB-CD1 4.46Å; P248-I273 HydrophobicContact CB-CG1 4.37Å; P248-I273 HydrophobicContact CG-CB 4Å; P248-I273 HydrophobicContact CG-CG1 4.1Å; P248-I273 HydrophobicContact CG-CG2 3.98Å | ||
| 249 | S | 73.3 | Confident | 81.4 | Confident | 30 Ų | 30 | 54.8 Ų | 54.8 | 21% | 0.21 | 29% | 0.293 | C | S | . | . | trans | -62.3 | 155.9 | 178.8 | 71.9 | 0 | 0 | 0 | 0 | 111.7 | W240 L247 K251 I252 M253 | W240-S249 PolarHBondContact O-OG 3.44Å; L247-S249 PolarHBondContact O-N 2.86Å; S249-K251 PolarHBondContact O-N 3.33Å; S249-K251 VanDerWaalsContact O-N 3.13Å; S249-I252 VanDerWaalsContact N-CG2 3.32Å; S249-I252 WeakPolarHBondContact O-CG2 3.26Å; S249-I252 PolarHBondContact O-N 3.09Å; S249-I252 PolarHBondContact OG-N 3.18Å; S249-M253 WeakPolarHBondContact O-CG 3.21Å; S249-M253 PolarHBondContact O-N 3.21Å | ||
| 250 | G | 70.7 | Confident | 81.1 | Confident | 46 Ų | 46 | 50.8 Ų | 50.8 | 47% | 0.474 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -55.1 | -32.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q254 | G250-Q254 VanDerWaalsContact O-CB 3.28Å; G250-Q254 WeakPolarHBondContact O-CB 3.36Å; G250-Q254 WeakPolarHBondContact O-CG 3.45Å; G250-Q254 PolarHBondContact O-N 3.27Å |
| 251 | K | 77.6 | Confident | 80.9 | Confident | 108 Ų | 108 | 50.1 Ų | 50.1 | 47% | 0.47 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.7 | -51 | 177.2 | -79.5 | -177.9 | 177.7 | 175.3 | 0 | 112.3 | E239 W240 S249 Q254 F255 | E239-K251 HydrophobicContact CG-CD 3.96Å; E239-K251 IonicContact OE1-NZ 3.85Å; E239-K251 PolarHBondContact OE1-NZ 2.86Å; W240-K251 HydrophobicContact CZ3-CB 4.45Å; S249-K251 PolarHBondContact O-N 3.33Å; S249-K251 VanDerWaalsContact O-N 3.13Å; K251-Q254 PolarHBondContact O-N 3.11Å; K251-F255 VanDerWaalsContact O-CB 3.29Å; K251-F255 WeakPolarHBondContact O-CB 3.32Å; K251-F255 PolarHBondContact O-N 3.05Å |
| 252 | I | 79 | Confident | 80.1 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.2 | -41.7 | 179.5 | -173.3 | 158.8 | 0 | 0 | 0 | 111.6 | I224 I227 W240 F241 F246 P248 S249 Q254 F255 L256 | I224-I252 HydrophobicContact CD1-CD1 3.66Å; I227-I252 HydrophobicContact CD1-CD1 4.14Å; W240-I252 HydrophobicContact CE3-CB 4.1Å; F241-I252 HydrophobicContact CD1-CD1 3.95Å; F241-I252 HydrophobicContact CE1-CD1 3.57Å; F246-I252 HydrophobicContact CZ-CD1 4.34Å; P248-I252 HydrophobicContact CB-CG2 4.06Å; S249-I252 VanDerWaalsContact N-CG2 3.32Å; S249-I252 WeakPolarHBondContact O-CG2 3.26Å; S249-I252 PolarHBondContact O-N 3.09Å; S249-I252 PolarHBondContact OG-N 3.18Å; I252-Q254 PolarHBondContact O-N 3.49Å; I252-F255 PolarHBondContact O-N 3.15Å; I252-L256 HydrophobicContact CD1-CD1 4.4Å; I252-L256 HydrophobicContact CG1-CD1 3.77Å; I252-L256 HydrophobicContact CG1-CG 4.11Å; I252-L256 WeakPolarHBondContact O-CG 3.36Å; I252-L256 PolarHBondContact O-N 2.78Å |
| 253 | M | 82.5 | Confident | 78.8 | Confident | 36 Ų | 36 | 62 Ų | 62 | 18% | 0.177 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.3 | -47.5 | 178.1 | -69.9 | -60 | -68.6 | 0 | 0 | 111.3 | P248 S249 A257 S271 I273 L276 | P248-M253 HydrophobicContact CB-CG 3.82Å; P248-M253 HydrophobicContact CB-SD 3.71Å; S249-M253 WeakPolarHBondContact O-CG 3.21Å; S249-M253 PolarHBondContact O-N 3.21Å; M253-A257 WeakPolarHBondContact O-CB 3.35Å; M253-A257 PolarHBondContact O-N 3.4Å; M253-S271 WeakPolarHBondContact CE-O 3.4Å; M253-I273 HydrophobicContact SD-CB 3.9Å; M253-I273 HydrophobicContact SD-CD1 3.7Å; M253-I273 HydrophobicContact SD-CG1 4.29Å; M253-L276 HydrophobicContact CE-CD1 3.63Å; M253-L276 HydrophobicContact SD-CD1 3.99Å |
| 254 | Q | 80 | Confident | 77.3 | Confident | 138 Ų | 138 | 65.6 Ų | 65.6 | 65% | 0.645 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61.7 | -46.9 | 176.3 | -74.4 | 170.9 | 29.3 | 0 | 0 | 111.5 | G250 K251 I252 L256 A257 L258 | G250-Q254 VanDerWaalsContact O-CB 3.28Å; G250-Q254 WeakPolarHBondContact O-CB 3.36Å; G250-Q254 WeakPolarHBondContact O-CG 3.45Å; G250-Q254 PolarHBondContact O-N 3.27Å; K251-Q254 PolarHBondContact O-N 3.11Å; I252-Q254 PolarHBondContact O-N 3.49Å; Q254-L256 PolarHBondContact O-N 2.88Å; Q254-A257 PolarHBondContact O-N 2.98Å; Q254-L258 WeakPolarHBondContact O-CG 2.92Å; Q254-L258 PolarHBondContact O-N 2.84Å; Q254-L258 VanDerWaalsContact O-N 3.14Å |
| 255 | F | 82.6 | Confident | 75.9 | Confident | 40 Ų | 40 | 70.9 Ų | 70.9 | 18% | 0.175 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -57 | -52.4 | 179.7 | 170.6 | -101.7 | 0 | 0 | 0 | 111.9 | P223 Y226 I227 W240 K251 I252 A257 L258 F259 | P223-F255 HydrophobicContact CB-CE1 4.26Å; P223-F255 WeakPolarHBondContact O-CE1 3.24Å; Y226-F255 HydrophobicContact CD2-CZ 4.29Å; I227-F255 HydrophobicContact CG2-CD1 4.06Å; I227-F255 HydrophobicContact CG2-CE1 3.75Å; I227-F255 HydrophobicContact CG2-CE2 4.22Å; I227-F255 HydrophobicContact CG2-CG 4.45Å; I227-F255 HydrophobicContact CG2-CZ 3.87Å; W240-F255 HydrophobicContact CH2-CB 4.15Å; W240-F255 HydrophobicContact CH2-CD2 4.47Å; W240-F255 HydrophobicContact CH2-CG 4.2Å; W240-F255 HydrophobicContact CZ3-CB 3.83Å; W240-F255 HydrophobicContact CZ3-CD1 4.38Å; W240-F255 HydrophobicContact CZ3-CG 4.08Å; K251-F255 VanDerWaalsContact O-CB 3.29Å; K251-F255 WeakPolarHBondContact O-CB 3.32Å; K251-F255 PolarHBondContact O-N 3.05Å; I252-F255 PolarHBondContact O-N 3.15Å; F255-A257 VanDerWaalsContact C-N 3.34Å; F255-A257 PolarHBondContact O-N 3.44Å; F255-L258 WeakPolarHBondContact O-CB 3.31Å; F255-L258 PolarHBondContact O-N 2.88Å; F255-F259 HydrophobicContact CD2-CE2 4.18Å; F255-F259 HydrophobicContact CE1-CE2 4.08Å; F255-F259 AromaticContact CE2-CE2 3.57Å; F255-F259 HydrophobicContact CE2-CE2 3.57Å; F255-F259 HydrophobicContact CE2-CZ 4.06Å; F255-F259 HydrophobicContact CZ-CD2 4.47Å; F255-F259 AromaticContact CZ-CE2 3.47Å; F255-F259 HydrophobicContact CZ-CE2 3.47Å; F255-F259 VanDerWaalsContact CZ-CE2 3.47Å; F255-F259 AromaticContact CZ-CZ 3.93Å; F255-F259 HydrophobicContact CZ-CZ 3.93Å; F255-F259 VanDerWaalsContact O-CD2 3.29Å; F255-F259 WeakPolarHBondContact O-CD2 3.29Å |
| 256 | L | 79.8 | Confident | 74.7 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -68 | -36.9 | -179 | -62.1 | 173.1 | 0 | 0 | 0 | 111.6 | P223 I224 I252 Q254 L258 F259 L260 I273 L276 L277 | P223-L256 HydrophobicContact CB-CD2 3.88Å; P223-L256 HydrophobicContact CG-CD2 4.44Å; I224-L256 HydrophobicContact CB-CD2 4.43Å; I252-L256 HydrophobicContact CD1-CD1 4.4Å; I252-L256 HydrophobicContact CG1-CD1 3.77Å; I252-L256 HydrophobicContact CG1-CG 4.11Å; I252-L256 WeakPolarHBondContact O-CG 3.36Å; I252-L256 PolarHBondContact O-N 2.78Å; Q254-L256 PolarHBondContact O-N 2.88Å; L256-L258 PolarHBondContact O-N 2.81Å; L256-F259 PolarHBondContact O-N 3.46Å; L256-F259 VanDerWaalsContact O-N 3.1Å; L256-L260 PolarHBondContact O-N 3.33Å; L256-I273 HydrophobicContact CD1-CD1 3.34Å; L256-L276 HydrophobicContact CB-CB 3.83Å; L256-L276 HydrophobicContact CB-CD1 4.09Å; L256-L276 HydrophobicContact CB-CD2 4.33Å; L256-L276 HydrophobicContact CB-CG 4.31Å; L256-L276 HydrophobicContact CD1-CB 4.01Å; L256-L277 HydrophobicContact CD1-CD2 3.9Å; L256-L277 HydrophobicContact CD1-CG 4.39Å |
| 257 | A | 80 | Confident | 73.8 | Confident | 21 Ų | 21 | 72.8 Ų | 72.8 | 17% | 0.174 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60 | -27.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | M253 Q254 F255 F259 L260 C261 L276 | M253-A257 WeakPolarHBondContact O-CB 3.35Å; M253-A257 PolarHBondContact O-N 3.4Å; Q254-A257 PolarHBondContact O-N 2.98Å; F255-A257 VanDerWaalsContact C-N 3.34Å; F255-A257 PolarHBondContact O-N 3.44Å; A257-F259 PolarHBondContact O-N 3Å; A257-L260 PolarHBondContact O-N 3.49Å; A257-C261 HydrophobicContact CB-CB 4.06Å; A257-C261 CarbonylContact O-C 3.4Å; A257-C261 VanDerWaalsContact O-CA 3.23Å; A257-C261 WeakPolarHBondContact O-CA 3.43Å; A257-C261 WeakPolarHBondContact O-CB 3.28Å; A257-C261 PolarHBondContact O-N 3Å; A257-L276 HydrophobicContact CB-CD2 4.44Å |
| 258 | L | 82.8 | Confident | 73.2 | Confident | 128 Ų | 128 | 69.6 Ų | 69.6 | 67% | 0.67 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -60.7 | -29.9 | 175.8 | -68.2 | 170.4 | 0 | 0 | 0 | 113.4 | Q254 F255 L256 | Q254-L258 WeakPolarHBondContact O-CG 2.92Å; Q254-L258 PolarHBondContact O-N 2.84Å; Q254-L258 VanDerWaalsContact O-N 3.14Å; F255-L258 WeakPolarHBondContact O-CB 3.31Å; F255-L258 PolarHBondContact O-N 2.88Å; L256-L258 PolarHBondContact O-N 2.81Å |
| 259 | F | 80.7 | Confident | 73.3 | Confident | 90 Ų | 90 | 67.7 Ų | 67.7 | 40% | 0.395 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -87.3 | -38.2 | -177 | -65.9 | -94.5 | 0 | 0 | 0 | 112.3 | P223 Y226 F255 L256 A257 | P223-F259 HydrophobicContact CB-CB 4.11Å; P223-F259 HydrophobicContact CB-CD1 4.06Å; P223-F259 HydrophobicContact CB-CD2 3.49Å; P223-F259 VanDerWaalsContact CB-CD2 3.49Å; P223-F259 HydrophobicContact CB-CE1 4.37Å; P223-F259 HydrophobicContact CB-CE2 3.86Å; P223-F259 HydrophobicContact CB-CG 3.61Å; P223-F259 HydrophobicContact CB-CZ 4.28Å; P223-F259 HydrophobicContact CG-CB 3.48Å; P223-F259 VanDerWaalsContact CG-CB 3.48Å; P223-F259 HydrophobicContact CG-CD1 4.09Å; P223-F259 HydrophobicContact CG-CD2 3.87Å; P223-F259 HydrophobicContact CG-CG 3.54Å; Y226-F259 AromaticContact CD2-CE1 3.99Å; Y226-F259 HydrophobicContact CD2-CE1 3.99Å; Y226-F259 AromaticContact CD2-CZ 3.8Å; Y226-F259 HydrophobicContact CD2-CZ 3.8Å; Y226-F259 HydrophobicContact CE2-CD1 4.44Å; Y226-F259 AromaticContact CE2-CE1 3.62Å; Y226-F259 HydrophobicContact CE2-CE1 3.62Å; Y226-F259 AromaticContact CE2-CZ 3.93Å; Y226-F259 HydrophobicContact CE2-CZ 3.93Å; F255-F259 HydrophobicContact CD2-CE2 4.18Å; F255-F259 HydrophobicContact CE1-CE2 4.08Å; F255-F259 AromaticContact CE2-CE2 3.57Å; F255-F259 HydrophobicContact CE2-CE2 3.57Å; F255-F259 HydrophobicContact CE2-CZ 4.06Å; F255-F259 HydrophobicContact CZ-CD2 4.47Å; F255-F259 AromaticContact CZ-CE2 3.47Å; F255-F259 HydrophobicContact CZ-CE2 3.47Å; F255-F259 VanDerWaalsContact CZ-CE2 3.47Å; F255-F259 AromaticContact CZ-CZ 3.93Å; F255-F259 HydrophobicContact CZ-CZ 3.93Å; F255-F259 VanDerWaalsContact O-CD2 3.29Å; F255-F259 WeakPolarHBondContact O-CD2 3.29Å; L256-F259 PolarHBondContact O-N 3.46Å; L256-F259 VanDerWaalsContact O-N 3.1Å; A257-F259 PolarHBondContact O-N 3Å |
| 260 | L | 74.6 | Confident | 73.6 | Confident | 7 Ų | 7 | 67.8 Ų | 67.8 | 4% | 0.037 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -95.5 | -41.1 | -176.1 | -163 | 77.8 | 0 | 0 | 0 | 111.9 | L256 A257 K262 R265 V269 L276 W358 | L256-L260 PolarHBondContact O-N 3.33Å; A257-L260 PolarHBondContact O-N 3.49Å; L260-K262 PolarHBondContact O-N 3.5Å; L260-R265 WeakPolarHBondContact O-CD 3.49Å; L260-R265 PolarHBondContact O-NE 3.07Å; L260-R265 PolarHBondContact O-NH1 2.71Å; L260-R265 PolarHBondContact O-NH2 3.23Å; L260-V269 HydrophobicContact CD2-CG1 3.67Å; L260-L276 HydrophobicContact CB-CD2 3.86Å; L260-L276 HydrophobicContact CD2-CD2 3.79Å; L260-L276 HydrophobicContact CG-CD2 4.45Å; L260-W358 HydrophobicContact CD1-CH2 3.54Å; L260-W358 HydrophobicContact CD1-CZ2 4.34Å; L260-W358 HydrophobicContact CD1-CZ3 4.03Å |
| 261 | C | 74.7 | Confident | 73.8 | Confident | 32 Ų | 32 | 68.5 Ų | 68.5 | 22% | 0.216 | 35% | 0.346 | C | S | . | . | trans | -102.8 | 76.6 | -164.7 | -65.1 | 0 | 0 | 0 | 0 | 112.6 | A257 C270 | A257-C261 HydrophobicContact CB-CB 4.06Å; A257-C261 CarbonylContact O-C 3.4Å; A257-C261 VanDerWaalsContact O-CA 3.23Å; A257-C261 WeakPolarHBondContact O-CA 3.43Å; A257-C261 WeakPolarHBondContact O-CB 3.28Å; A257-C261 PolarHBondContact O-N 3Å; C261-C270 HydrophobicContact CB-CB 3.8Å; C261-C270 WeakPolarHBondContact CB-SG 3.23Å; C261-C270 WeakPolarHBondContact SG-CA 3.46Å; C261-C270 WeakPolarHBondContact SG-CB 3.18Å; C261-C270 CovalentContact SG-SG 2.02Å; C261-C270 PolarHBondContact SG-SG 3.21Å | ||
| 262 | K | 69 | Low | 73.8 | Confident | 149 Ų | 149 | 63.4 Ų | 63.4 | 65% | 0.648 | 32% | 0.324 | S | S | * | . | trans | -80.6 | 169.3 | 167.7 | -73.8 | -171.1 | -179.9 | -177.9 | 0 | 111.5 | L260 H264 | L260-K262 PolarHBondContact O-N 3.5Å; K262-H264 PolarHBondContact O-N 3.29Å | ||
| 263 | P | 56.5 | Low | 74.1 | Confident | 126 Ų | 126 | 63.5 Ų | 63.5 | 82% | 0.818 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -60.9 | 2 | -161.5 | -16.3 | 22.5 | 0 | 0 | 0 | 118.6 | ||
| 264 | H | 51.2 | Low | 74.1 | Confident | 184 Ų | 184 | 62.4 Ų | 62.4 | 85% | 0.852 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -123.5 | 49.5 | -173.7 | -66.9 | -28 | 0 | 0 | 0 | 112.7 | K262 | K262-H264 PolarHBondContact O-N 3.29Š|
| 265 | R | 61.6 | Low | 74.3 | Confident | 121 Ų | 121 | 55.9 Ų | 55.9 | 46% | 0.457 | 29% | 0.288 | S | S | . | . | trans | -132 | 156.9 | -171.7 | -69.9 | -152.2 | -177.1 | -168.4 | 6.8 | 118 | L260 | L260-R265 WeakPolarHBondContact O-CD 3.49Å; L260-R265 PolarHBondContact O-NE 3.07Å; L260-R265 PolarHBondContact O-NH1 2.71Å; L260-R265 PolarHBondContact O-NH2 3.23Å | ||
| 266 | I | 67.1 | Low | 74.4 | Confident | 62 Ų | 62 | 54 Ų | 54 | 32% | 0.318 | 28% | 0.28 | S | S | . | . | trans | -66.7 | 114.8 | 178.8 | -57.8 | 169.1 | 0 | 0 | 0 | 108.5 | F268 V269 Y280 V287 L290 | I266-F268 HydrophobicContact CG2-CB 4.39Å; I266-F268 PolarHBondContact O-N 3.37Å; I266-F268 VanDerWaalsContact O-N 3.11Å; I266-V269 HydrophobicContact CB-CG2 4.22Å; I266-V269 HydrophobicContact CG2-CG2 4.33Å; I266-V269 PolarHBondContact O-N 3.42Å; I266-V269 VanDerWaalsContact O-N 3.13Å; I266-Y280 HydrophobicContact CD1-CE1 4.46Å; I266-V287 HydrophobicContact CD1-CG1 4.49Å; I266-L290 HydrophobicContact CG2-CD1 3.83Å | ||
| 267 | P | 70.1 | Confident | 74.7 | Confident | 56 Ų | 56 | 54.3 Ų | 54.3 | 36% | 0.364 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -50.5 | -40.8 | -173.6 | -30.2 | 35.2 | 0 | 0 | 0 | 114.3 | W9 V269 C270 S271 | W9-P267 HydrophobicContact CB-CG 4.34Å; W9-P267 HydrophobicContact CD2-CG 4.39Å; W9-P267 HydrophobicContact CE3-CG 4.2Å; W9-P267 HydrophobicContact CG-CG 4.46Å; P267-V269 PolarHBondContact O-N 2.84Å; P267-C270 PolarHBondContact O-N 3.41Å; P267-C270 VanDerWaalsContact O-N 3.1Å; P267-S271 PolarHBondContact O-N 3.32Å; P267-S271 PolarHBondContact O-OG 3.3Å |
| 268 | F | 70.3 | Confident | 75.1 | Confident | 48 Ų | 48 | 53.4 Ų | 53.4 | 21% | 0.211 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.7 | -40.6 | -178.5 | -73.8 | -72.7 | 0 | 0 | 0 | 114.2 | I266 C270 S271 N272 L290 P291 V294 | I266-F268 HydrophobicContact CG2-CB 4.39Å; I266-F268 PolarHBondContact O-N 3.37Å; I266-F268 VanDerWaalsContact O-N 3.11Å; F268-C270 PolarHBondContact O-N 3.1Å; F268-S271 WeakPolarHBondContact CA-OG 3.42Å; F268-S271 PolarHBondContact O-N 3.05Å; F268-S271 PolarHBondContact O-OG 2.97Å; F268-N272 VanDerWaalsContact O-CB 3.3Å; F268-N272 WeakPolarHBondContact O-CB 3.26Å; F268-N272 PolarHBondContact O-N 2.86Å; F268-L290 HydrophobicContact CB-CB 4.33Å; F268-P291 HydrophobicContact CE2-CG 4.35Å; F268-P291 HydrophobicContact CZ-CB 4.46Å; F268-P291 HydrophobicContact CZ-CG 4.16Å; F268-V294 HydrophobicContact CB-CG2 4.12Å; F268-V294 HydrophobicContact CD1-CB 4.21Å; F268-V294 HydrophobicContact CD1-CG1 4.24Å; F268-V294 HydrophobicContact CD1-CG2 4.05Å |
| 269 | V | 75.7 | Confident | 75.2 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65 | -35.5 | 179.4 | 175.3 | 0 | 0 | 0 | 0 | 110.6 | L260 I266 P267 Y275 Y280 L290 | L260-V269 HydrophobicContact CD2-CG1 3.67Å; I266-V269 HydrophobicContact CB-CG2 4.22Å; I266-V269 HydrophobicContact CG2-CG2 4.33Å; I266-V269 PolarHBondContact O-N 3.42Å; I266-V269 VanDerWaalsContact O-N 3.13Å; P267-V269 PolarHBondContact O-N 2.84Å; V269-Y275 HydrophobicContact CB-CD2 4.42Å; V269-Y275 HydrophobicContact CG1-CD2 4.4Å; V269-Y275 HydrophobicContact CG1-CG 4.24Å; V269-Y275 HydrophobicContact CG2-CD2 4.39Å; V269-Y280 HydrophobicContact CB-CG 4.46Å; V269-Y280 HydrophobicContact CG1-CD1 3.83Å; V269-Y280 HydrophobicContact CG1-CD2 3.96Å; V269-Y280 HydrophobicContact CG1-CE1 4.42Å; V269-Y280 HydrophobicContact CG1-CG 3.56Å; V269-Y280 HydrophobicContact CG2-CD1 4.06Å; V269-Y280 HydrophobicContact CG2-CD2 3.73Å; V269-Y280 HydrophobicContact CG2-CE1 3.83Å; V269-Y280 HydrophobicContact CG2-CE2 3.52Å; V269-Y280 HydrophobicContact CG2-CG 4Å; V269-L290 HydrophobicContact CG2-CD1 4.42Å; V269-L290 HydrophobicContact CG2-CD2 4.46Å |
| 270 | C | 79 | Confident | 75.4 | Confident | 32 Ų | 32 | 44.8 Ų | 44.8 | 22% | 0.216 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -86 | -18.9 | -175.8 | -63.6 | 0 | 0 | 0 | 0 | 113.8 | C261 P267 F268 | C261-C270 HydrophobicContact CB-CB 3.8Å; C261-C270 WeakPolarHBondContact CB-SG 3.23Å; C261-C270 WeakPolarHBondContact SG-CA 3.46Å; C261-C270 WeakPolarHBondContact SG-CB 3.18Å; C261-C270 CovalentContact SG-SG 2.02Å; C261-C270 PolarHBondContact SG-SG 3.21Å; P267-C270 PolarHBondContact O-N 3.41Å; P267-C270 VanDerWaalsContact O-N 3.1Å; F268-C270 PolarHBondContact O-N 3.1Å |
| 271 | S | 75.5 | Confident | 76 | Confident | 60 Ų | 60 | 45.8 Ų | 45.8 | 42% | 0.42 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -92 | -4.3 | 174 | 61.6 | 0 | 0 | 0 | 0 | 113.2 | M253 P267 F268 | M253-S271 WeakPolarHBondContact CE-O 3.4Å; P267-S271 PolarHBondContact O-N 3.32Å; P267-S271 PolarHBondContact O-OG 3.3Å; F268-S271 WeakPolarHBondContact CA-OG 3.42Å; F268-S271 PolarHBondContact O-N 3.05Å; F268-S271 PolarHBondContact O-OG 2.97Å |
| 272 | N | 78.3 | Confident | 76.5 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.011 | 25% | 0.252 | C | S | . | . | trans | -112.5 | 119.4 | -175 | -172.3 | -69.8 | 0 | 0 | 0 | 111.7 | F268 M274 Y275 L276 V294 T297 | F268-N272 VanDerWaalsContact O-CB 3.3Å; F268-N272 WeakPolarHBondContact O-CB 3.26Å; F268-N272 PolarHBondContact O-N 2.86Å; N272-M274 VanDerWaalsContact C-N 3.25Å; N272-M274 PolarHBondContact O-N 3.48Å; N272-M274 WeakPolarHBondContact OD1-CA 3.34Å; N272-M274 WeakPolarHBondContact OD1-CB 3.14Å; N272-M274 PolarHBondContact OD1-N 2.94Å; N272-Y275 HydrophobicContact CB-CD2 3.9Å; N272-Y275 HydrophobicContact CB-CE2 4.49Å; N272-Y275 PolarHBondContact O-N 3.16Å; N272-L276 WeakPolarHBondContact O-CG 3.29Å; N272-L276 PolarHBondContact O-N 3.49Å; N272-V294 HydrophobicContact CB-CG2 3.96Å; N272-T297 PolarHBondContact ND2-O 3.4Å | ||
| 273 | I | 83.4 | Confident | 77.4 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.1 | -30 | -177 | -171.7 | 61.8 | 0 | 0 | 0 | 112.9 | L100 F246 P248 M253 L256 L276 L277 P298 | L100-I273 HydrophobicContact CD1-CG1 4.44Å; L100-I273 HydrophobicContact CD1-CG2 4.13Å; F246-I273 HydrophobicContact CE1-CG1 4.46Å; P248-I273 HydrophobicContact CB-CB 4.45Å; P248-I273 HydrophobicContact CB-CD1 4.46Å; P248-I273 HydrophobicContact CB-CG1 4.37Å; P248-I273 HydrophobicContact CG-CB 4Å; P248-I273 HydrophobicContact CG-CG1 4.1Å; P248-I273 HydrophobicContact CG-CG2 3.98Å; M253-I273 HydrophobicContact SD-CB 3.9Å; M253-I273 HydrophobicContact SD-CD1 3.7Å; M253-I273 HydrophobicContact SD-CG1 4.29Å; L256-I273 HydrophobicContact CD1-CD1 3.34Å; I273-L276 HydrophobicContact CD1-CB 4.49Å; I273-L276 WeakPolarHBondContact O-CB 3.4Å; I273-L276 PolarHBondContact O-N 3.33Å; I273-L277 HydrophobicContact CD1-CD1 4.34Å; I273-L277 HydrophobicContact CD1-CG 4.12Å; I273-L277 HydrophobicContact CG1-CD1 3.86Å; I273-L277 HydrophobicContact CG1-CG 4.09Å; I273-L277 WeakPolarHBondContact O-CG 3.12Å; I273-L277 PolarHBondContact O-N 2.78Å; I273-P298 HydrophobicContact CG2-CB 3.81Å; I273-P298 HydrophobicContact CG2-CG 3.67Å |
| 274 | M | 84.6 | Confident | 79.2 | Confident | 12 Ų | 12 | 44.3 Ų | 44.3 | 6% | 0.059 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.9 | -49.1 | 179.4 | -66.5 | -62.7 | -75.1 | 0 | 0 | 111.6 | L99 L100 N272 L276 L277 A278 T297 L388 W392 | L99-M274 VanDerWaalsContact O-CE 3.27Å; L99-M274 WeakPolarHBondContact O-CE 3.4Å; L100-M274 HydrophobicContact CB-SD 3.57Å; L100-M274 VanDerWaalsContact CB-SD 3.57Å; L100-M274 HydrophobicContact CD1-SD 4.35Å; N272-M274 VanDerWaalsContact C-N 3.25Å; N272-M274 PolarHBondContact O-N 3.48Å; N272-M274 WeakPolarHBondContact OD1-CA 3.34Å; N272-M274 WeakPolarHBondContact OD1-CB 3.14Å; N272-M274 PolarHBondContact OD1-N 2.94Å; M274-L276 PolarHBondContact O-N 2.8Å; M274-L277 PolarHBondContact O-N 3.07Å; M274-A278 WeakPolarHBondContact O-CB 3.45Å; M274-A278 PolarHBondContact O-N 2.72Å; M274-T297 HydrophobicContact CE-CG2 4.19Å; M274-T297 HydrophobicContact CG-CG2 3.37Å; M274-T297 HydrophobicContact SD-CG2 4.02Å; M274-L388 HydrophobicContact CE-CD2 4.24Å; M274-W392 HydrophobicContact CB-CH2 4.32Å; M274-W392 HydrophobicContact CG-CH2 4.43Å |
| 275 | Y | 83.7 | Confident | 81 | Confident | 1 Ų | 1 | 36 Ų | 36 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.3 | -32.4 | 177.4 | -68 | -54.8 | 0 | 0 | 0 | 112.4 | V269 N272 G279 Y280 L290 Y293 L388 W392 | V269-Y275 HydrophobicContact CB-CD2 4.42Å; V269-Y275 HydrophobicContact CG1-CD2 4.4Å; V269-Y275 HydrophobicContact CG1-CG 4.24Å; V269-Y275 HydrophobicContact CG2-CD2 4.39Å; N272-Y275 HydrophobicContact CB-CD2 3.9Å; N272-Y275 HydrophobicContact CB-CE2 4.49Å; N272-Y275 PolarHBondContact O-N 3.16Å; Y275-G279 CarbonylContact O-C 3.55Å; Y275-G279 VanDerWaalsContact O-C 3.26Å; Y275-G279 VanDerWaalsContact O-CA 3.22Å; Y275-G279 WeakPolarHBondContact O-CA 3.44Å; Y275-G279 PolarHBondContact O-N 2.86Å; Y275-Y280 AromaticContact CD1-CD2 3.75Å; Y275-Y280 HydrophobicContact CD1-CD2 3.75Å; Y275-Y280 AromaticContact CE1-CD2 3.91Å; Y275-Y280 HydrophobicContact CE1-CD2 3.91Å; Y275-Y280 HydrophobicContact CE1-CE2 4.44Å; Y275-Y280 HydrophobicContact CG-CD2 4.23Å; Y275-L290 HydrophobicContact CE2-CD2 3.75Å; Y275-L290 VanDerWaalsContact OH-CD2 3.28Å; Y275-L290 WeakPolarHBondContact OH-CD2 3.24Å; Y275-Y293 VanDerWaalsContact OH-CD2 3.29Å; Y275-Y293 WeakPolarHBondContact OH-CD2 3.44Å; Y275-L388 HydrophobicContact CD1-CD1 3.55Å; Y275-L388 HydrophobicContact CE1-CD1 3.62Å; Y275-W392 HydrophobicContact CE1-CE3 4.19Å; Y275-W392 HydrophobicContact CE1-CZ3 4.01Å |
| 276 | L | 83.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.2 | -33.4 | 176.7 | -68.6 | 179.3 | 0 | 0 | 0 | 112.5 | M253 L256 A257 L260 N272 I273 M274 | M253-L276 HydrophobicContact CE-CD1 3.63Å; M253-L276 HydrophobicContact SD-CD1 3.99Å; L256-L276 HydrophobicContact CB-CB 3.83Å; L256-L276 HydrophobicContact CB-CD1 4.09Å; L256-L276 HydrophobicContact CB-CD2 4.33Å; L256-L276 HydrophobicContact CB-CG 4.31Å; L256-L276 HydrophobicContact CD1-CB 4.01Å; A257-L276 HydrophobicContact CB-CD2 4.44Å; L260-L276 HydrophobicContact CB-CD2 3.86Å; L260-L276 HydrophobicContact CD2-CD2 3.79Å; L260-L276 HydrophobicContact CG-CD2 4.45Å; N272-L276 WeakPolarHBondContact O-CG 3.29Å; N272-L276 PolarHBondContact O-N 3.49Å; I273-L276 HydrophobicContact CD1-CB 4.49Å; I273-L276 WeakPolarHBondContact O-CB 3.4Å; I273-L276 PolarHBondContact O-N 3.33Å; M274-L276 PolarHBondContact O-N 2.8Å |
| 277 | L | 85.9 | Confident | 83.2 | Confident | 8 Ų | 8 | 32.3 Ų | 32.3 | 4% | 0.042 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -83.8 | -50.2 | 176.9 | -68.9 | 175.3 | 0 | 0 | 0 | 112.4 | L100 S222 I224 L256 I273 M274 M306 | L100-L277 HydrophobicContact CD1-CD1 3.8Å; S222-L277 WeakPolarHBondContact CB-O 3.29Å; S222-L277 PolarHBondContact OG-O 2.79Å; I224-L277 HydrophobicContact CB-CD2 3.98Å; I224-L277 HydrophobicContact CD1-CD2 4.02Å; I224-L277 HydrophobicContact CG1-CD2 4.22Å; I224-L277 HydrophobicContact CG2-CD2 4.41Å; L256-L277 HydrophobicContact CD1-CD2 3.9Å; L256-L277 HydrophobicContact CD1-CG 4.39Å; I273-L277 HydrophobicContact CD1-CD1 4.34Å; I273-L277 HydrophobicContact CD1-CG 4.12Å; I273-L277 HydrophobicContact CG1-CD1 3.86Å; I273-L277 HydrophobicContact CG1-CG 4.09Å; I273-L277 WeakPolarHBondContact O-CG 3.12Å; I273-L277 PolarHBondContact O-N 2.78Å; M274-L277 PolarHBondContact O-N 3.07Å; L277-M306 HydrophobicContact CD1-CE 4.41Å |
| 278 | A | 89 | Confident | 83.9 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -85.3 | -15.6 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114 | M274 L359 H387 L388 | M274-A278 WeakPolarHBondContact O-CB 3.45Å; M274-A278 PolarHBondContact O-N 2.72Å; A278-L359 HydrophobicContact CB-CD1 3.95Å; A278-H387 HydrophobicContact CB-CB 3.99Å; A278-L388 HydrophobicContact CB-CD1 3.87Å; A278-L388 HydrophobicContact CB-CD2 4.16Å; A278-L388 HydrophobicContact CB-CG 3.77Å |
| 279 | G | 85.5 | Confident | 84.8 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | trans | 88.1 | 165.1 | -167.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y275 | Y275-G279 CarbonylContact O-C 3.55Å; Y275-G279 VanDerWaalsContact O-C 3.26Å; Y275-G279 VanDerWaalsContact O-CA 3.22Å; Y275-G279 WeakPolarHBondContact O-CA 3.44Å; Y275-G279 PolarHBondContact O-N 2.86Å | ||
| 280 | Y | 84.1 | Confident | 85.3 | Confident | 36 Ų | 36 | 32.6 Ų | 32.6 | 14% | 0.141 | 19% | 0.185 | C | C | . | . | trans | -124.8 | 119.8 | 178 | 175.8 | -117 | 0 | 0 | 0 | 110.2 | I266 V269 Y275 T285 L290 | I266-Y280 HydrophobicContact CD1-CE1 4.46Å; V269-Y280 HydrophobicContact CB-CG 4.46Å; V269-Y280 HydrophobicContact CG1-CD1 3.83Å; V269-Y280 HydrophobicContact CG1-CD2 3.96Å; V269-Y280 HydrophobicContact CG1-CE1 4.42Å; V269-Y280 HydrophobicContact CG1-CG 3.56Å; V269-Y280 HydrophobicContact CG2-CD1 4.06Å; V269-Y280 HydrophobicContact CG2-CD2 3.73Å; V269-Y280 HydrophobicContact CG2-CE1 3.83Å; V269-Y280 HydrophobicContact CG2-CE2 3.52Å; V269-Y280 HydrophobicContact CG2-CG 4Å; Y275-Y280 AromaticContact CD1-CD2 3.75Å; Y275-Y280 HydrophobicContact CD1-CD2 3.75Å; Y275-Y280 AromaticContact CE1-CD2 3.91Å; Y275-Y280 HydrophobicContact CE1-CD2 3.91Å; Y275-Y280 HydrophobicContact CE1-CE2 4.44Å; Y275-Y280 HydrophobicContact CG-CD2 4.23Å; Y280-T285 HydrophobicContact CE2-CG2 4.03Å; Y280-L290 HydrophobicContact CE2-CD2 4.46Å | ||
| 281 | D | 86.6 | Confident | 85.6 | Confident | 29 Ų | 29 | 32.1 Ų | 32.1 | 16% | 0.155 | 18% | 0.182 | C | C | . | . | trans | -99.5 | 100.4 | 169.2 | -177.4 | 13.4 | 0 | 0 | 0 | 110.3 | K283 N284 T285 N386 | D281-K283 PolarHBondContact O-N 3.05Å; D281-K283 WeakPolarHBondContact OD1-CB 3.33Å; D281-K283 PolarHBondContact OD1-N 3.23Å; D281-N284 PolarHBondContact O-N 2.91Å; D281-N284 WeakPolarHBondContact OD2-CB 3.29Å; D281-N284 PolarHBondContact OD2-N 3.23Å; D281-T285 VanDerWaalsContact O-CB 3.3Å; D281-T285 WeakPolarHBondContact O-CB 3.35Å; D281-T285 PolarHBondContact O-N 3.13Å; D281-T285 VanDerWaalsContact O-N 3.07Å; D281-T285 PolarHBondContact O-OG1 3.32Å; D281-N386 HydrophobicContact CB-CB 4.33Å; D281-N386 WeakPolarHBondContact CB-ND2 3.28Å; D281-N386 PolarHBondContact N-ND2 3.13Å | ||
| 282 | S | 84.8 | Confident | 86.2 | Confident | 78 Ų | 78 | 29.3 Ų | 29.3 | 55% | 0.545 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -18.5 | 176.7 | 57.1 | 0 | 0 | 0 | 0 | 114.1 | ||
| 283 | K | 89.1 | Confident | 86.7 | Confident | 187 Ų | 187 | 29.2 Ų | 29.2 | 81% | 0.813 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -28.1 | -177.2 | -62.9 | 179 | -178.9 | 175.4 | 0 | 112.4 | D281 | D281-K283 PolarHBondContact O-N 3.05Å; D281-K283 WeakPolarHBondContact OD1-CB 3.33Å; D281-K283 PolarHBondContact OD1-N 3.23Å |
| 284 | N | 93.1 | Very high | 86.8 | Confident | 10 Ų | 10 | 30 Ų | 30 | 5% | 0.053 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | -0.8 | -173.8 | -159.3 | 36.9 | 0 | 0 | 0 | 113.8 | D281 D389 G393 L394 N395 | D281-N284 PolarHBondContact O-N 2.91Å; D281-N284 WeakPolarHBondContact OD2-CB 3.29Å; D281-N284 PolarHBondContact OD2-N 3.23Å; N284-D389 WeakPolarHBondContact CB-OD1 3.45Å; N284-D389 VanDerWaalsContact ND2-CG 3.27Å; N284-D389 PolarHBondContact ND2-OD1 3.27Å; N284-G393 WeakPolarHBondContact ND2-CA 3.21Å; N284-G393 WeakPolarHBondContact O-CA 3.43Å; N284-L394 WeakPolarHBondContact O-CG 3.3Å; N284-L394 PolarHBondContact O-N 3.32Å; N284-L394 PolarHBondContact OD1-N 3.31Å; N284-N395 VanDerWaalsContact CG-OD1 3.28Å; N284-N395 PolarHBondContact ND2-OD1 3.37Å; N284-N395 PolarHBondContact OD1-N 3.19Å; N284-N395 VanDerWaalsContact OD1-N 3.12Å; N284-N395 PolarHBondContact OD1-ND2 2.8Å; N284-N395 PolarHBondContact OD1-OD1 2.95Å |
| 285 | T | 89.6 | Confident | 86.8 | Confident | 9 Ų | 9 | 31.1 Ų | 31.1 | 6% | 0.055 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -88.3 | 132.3 | 171.7 | -56 | 0 | 0 | 0 | 0 | 111 | Y280 D281 V287 L290 Y293 | Y280-T285 HydrophobicContact CE2-CG2 4.03Å; D281-T285 VanDerWaalsContact O-CB 3.3Å; D281-T285 WeakPolarHBondContact O-CB 3.35Å; D281-T285 PolarHBondContact O-N 3.13Å; D281-T285 VanDerWaalsContact O-N 3.07Å; D281-T285 PolarHBondContact O-OG1 3.32Å; T285-V287 PolarHBondContact O-N 2.99Å; T285-L290 HydrophobicContact CG2-CD2 3.86Å; T285-Y293 HydrophobicContact CG2-CE2 4.09Å |
| 286 | N | 89.4 | Confident | 87 | Confident | 32 Ų | 32 | 32.2 Ų | 32.2 | 17% | 0.171 | 18% | 0.183 | C | C | . | . | trans | -70.3 | 100.6 | 170.2 | -166.9 | -23.6 | 0 | 0 | 0 | 111 | S288 R289 L290 L394 | N286-S288 PolarHBondContact O-N 3.39Å; N286-S288 PolarHBondContact OD1-N 3.28Å; N286-S288 VanDerWaalsContact OD1-N 3.15Å; N286-S288 PolarHBondContact OD1-OG 3.18Å; N286-R289 HydrophobicContact CB-CB 4.17Å; N286-R289 HydrophobicContact CB-CG 4.28Å; N286-R289 PolarHBondContact O-N 2.84Å; N286-L290 PolarHBondContact O-N 2.93Å; N286-L394 HydrophobicContact CB-CD2 3.59Å; N286-L394 HydrophobicContact CB-CG 4.15Å | ||
| 287 | V | 85.9 | Confident | 87.2 | Confident | 75 Ų | 75 | 32.3 Ų | 32.3 | 46% | 0.455 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -61.6 | -31.8 | -176.4 | -178.4 | 0 | 0 | 0 | 0 | 112.3 | I266 T285 R289 L290 | I266-V287 HydrophobicContact CD1-CG1 4.49Å; T285-V287 PolarHBondContact O-N 2.99Å; V287-R289 VanDerWaalsContact C-N 3.26Å; V287-R289 PolarHBondContact O-N 3.08Å; V287-L290 HydrophobicContact CB-CD1 4.4Å; V287-L290 HydrophobicContact CG1-CD1 3.92Å; V287-L290 WeakPolarHBondContact O-CB 3.42Å; V287-L290 WeakPolarHBondContact O-CG 3.32Å; V287-L290 PolarHBondContact O-N 2.95Å |
| 288 | S | 85.5 | Confident | 87.4 | Confident | 95 Ų | 95 | 34.6 Ų | 34.6 | 66% | 0.664 | 20% | 0.198 | S | C | * | . | G | 310 helix | trans | -73 | -19.9 | 179 | 67.8 | 0 | 0 | 0 | 0 | 113 | N286 | N286-S288 PolarHBondContact O-N 3.39Å; N286-S288 PolarHBondContact OD1-N 3.28Å; N286-S288 VanDerWaalsContact OD1-N 3.15Å; N286-S288 PolarHBondContact OD1-OG 3.18Å |
| 289 | R | 88.8 | Confident | 87.6 | Confident | 12 Ų | 12 | 34.8 Ų | 34.8 | 5% | 0.045 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -95.3 | -3.5 | 177.2 | -64.4 | -165.6 | 67.7 | 80.1 | -0.1 | 114 | D43 E45 N108 N286 V287 P291 I292 Y293 | D43-R289 IonicContact OD2-NH1 3.92Å; E45-R289 IonicContact OE1-NH1 3.86Å; E45-R289 IonicContact OE1-NH2 3.85Å; E45-R289 IonicContact OE2-CZ 3.65Å; E45-R289 IonicContact OE2-NH1 3.81Å; E45-R289 IonicContact OE2-NH2 2.63Å; E45-R289 PolarHBondContact OE2-NH2 3.16Å; N108-R289 VanDerWaalsContact O-CZ 3.26Å; N108-R289 PolarHBondContact O-NE 3.36Å; N108-R289 PolarHBondContact O-NH2 3.42Å; N286-R289 HydrophobicContact CB-CB 4.17Å; N286-R289 HydrophobicContact CB-CG 4.28Å; N286-R289 PolarHBondContact O-N 2.84Å; V287-R289 VanDerWaalsContact C-N 3.26Å; V287-R289 PolarHBondContact O-N 3.08Å; R289-P291 VanDerWaalsContact C-N 3.28Å; R289-P291 VanDerWaalsContact O-N 3.15Å; R289-I292 HydrophobicContact CB-CD1 4.4Å; R289-I292 HydrophobicContact CG-CD1 4.35Å; R289-I292 VanDerWaalsContact NH2-CD1 3.3Å; R289-I292 WeakPolarHBondContact O-CA 3.26Å; R289-I292 WeakPolarHBondContact O-CB 3.26Å; R289-I292 PolarHBondContact O-N 2.82Å; R289-Y293 HydrophobicContact CB-CE1 3.97Å; R289-Y293 HydrophobicContact CB-CE2 3.81Å; R289-Y293 VanDerWaalsContact CB-CZ 3.47Å; R289-Y293 WeakPolarHBondContact CB-OH 3.44Å; R289-Y293 PolarHBondContact O-N 2.94Å |
| 290 | L | 86.4 | Confident | 87.9 | Confident | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -47.4 | -42.3 | 175 | -75.5 | 174 | 0 | 0 | 0 | 114.1 | I266 F268 V269 Y275 Y280 T285 N286 V287 I292 Y293 V294 | I266-L290 HydrophobicContact CG2-CD1 3.83Å; F268-L290 HydrophobicContact CB-CB 4.33Å; V269-L290 HydrophobicContact CG2-CD1 4.42Å; V269-L290 HydrophobicContact CG2-CD2 4.46Å; Y275-L290 HydrophobicContact CE2-CD2 3.75Å; Y275-L290 VanDerWaalsContact OH-CD2 3.28Å; Y275-L290 WeakPolarHBondContact OH-CD2 3.24Å; Y280-L290 HydrophobicContact CE2-CD2 4.46Å; T285-L290 HydrophobicContact CG2-CD2 3.86Å; N286-L290 PolarHBondContact O-N 2.93Å; V287-L290 HydrophobicContact CB-CD1 4.4Å; V287-L290 HydrophobicContact CG1-CD1 3.92Å; V287-L290 WeakPolarHBondContact O-CB 3.42Å; V287-L290 WeakPolarHBondContact O-CG 3.32Å; V287-L290 PolarHBondContact O-N 2.95Å; L290-I292 PolarHBondContact O-N 3.28Å; L290-Y293 HydrophobicContact CD2-CD2 4.23Å; L290-Y293 PolarHBondContact O-N 3.2Å; L290-V294 WeakPolarHBondContact O-CB 3.29Å; L290-V294 VanDerWaalsContact O-CG2 3.29Å; L290-V294 WeakPolarHBondContact O-CG2 3.43Å; L290-V294 PolarHBondContact O-N 2.98Å |
| 291 | P | 83.9 | Confident | 88.5 | Confident | 22 Ų | 22 | 33.6 Ų | 33.6 | 14% | 0.143 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.6 | -33.4 | 177.5 | -25.1 | 36.2 | 0 | 0 | 0 | 113.5 | W12 V46 F268 R289 A295 | W12-P291 HydrophobicContact CZ3-CB 4.39Å; V46-P291 HydrophobicContact CG2-CB 3.97Å; F268-P291 HydrophobicContact CE2-CG 4.35Å; F268-P291 HydrophobicContact CZ-CB 4.46Å; F268-P291 HydrophobicContact CZ-CG 4.16Å; R289-P291 VanDerWaalsContact C-N 3.28Å; R289-P291 VanDerWaalsContact O-N 3.15Å; P291-A295 VanDerWaalsContact O-CB 3.32Å; P291-A295 WeakPolarHBondContact O-CB 3.48Å; P291-A295 PolarHBondContact O-N 2.99Å |
| 292 | I | 87.9 | Confident | 89 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -72.7 | -49.8 | 179.6 | -57.7 | 165.5 | 0 | 0 | 0 | 109.2 | D43 E45 V46 R289 L290 V294 A295 H296 | D43-I292 HydrophobicContact CB-CD1 3.99Å; D43-I292 HydrophobicContact CB-CG1 4.31Å; E45-I292 HydrophobicContact CB-CD1 4.08Å; E45-I292 HydrophobicContact CB-CG1 4.25Å; E45-I292 HydrophobicContact CB-CG2 4.16Å; V46-I292 HydrophobicContact CG2-CG1 3.77Å; R289-I292 HydrophobicContact CB-CD1 4.4Å; R289-I292 HydrophobicContact CG-CD1 4.35Å; R289-I292 VanDerWaalsContact NH2-CD1 3.3Å; R289-I292 WeakPolarHBondContact O-CA 3.26Å; R289-I292 WeakPolarHBondContact O-CB 3.26Å; R289-I292 PolarHBondContact O-N 2.82Å; L290-I292 PolarHBondContact O-N 3.28Å; I292-V294 VanDerWaalsContact C-N 3.26Å; I292-V294 PolarHBondContact O-N 3.31Å; I292-A295 PolarHBondContact O-N 3.06Å; I292-A295 VanDerWaalsContact O-N 3.1Å; I292-H296 PolarHBondContact O-CD2 2.9Å; I292-H296 PolarHBondContact O-N 3.32Å |
| 293 | Y | 89.3 | Confident | 89.5 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.1 | -40.3 | 177.5 | -49.1 | -37.1 | 0 | 0 | 0 | 112 | N108 N109 Y275 T285 R289 L290 H296 T297 | N108-Y293 HydrophobicContact CB-CD1 4.23Å; N108-Y293 HydrophobicContact CB-CE1 4.09Å; N109-Y293 WeakPolarHBondContact OD1-CE1 3.24Å; N109-Y293 PolarHBondContact OD1-OH 3.47Å; Y275-Y293 VanDerWaalsContact OH-CD2 3.29Å; Y275-Y293 WeakPolarHBondContact OH-CD2 3.44Å; T285-Y293 HydrophobicContact CG2-CE2 4.09Å; R289-Y293 HydrophobicContact CB-CE1 3.97Å; R289-Y293 HydrophobicContact CB-CE2 3.81Å; R289-Y293 VanDerWaalsContact CB-CZ 3.47Å; R289-Y293 WeakPolarHBondContact CB-OH 3.44Å; R289-Y293 PolarHBondContact O-N 2.94Å; L290-Y293 HydrophobicContact CD2-CD2 4.23Å; L290-Y293 PolarHBondContact O-N 3.2Å; Y293-H296 PolarHBondContact O-N 3.33Å; Y293-T297 WeakPolarHBondContact O-CB 3.27Å; Y293-T297 PolarHBondContact O-N 2.58Å; Y293-T297 PolarHBondContact O-OG1 3.43Å; Y293-T297 VanDerWaalsContact O-OG1 3.13Å |
| 294 | V | 85.2 | Confident | 89.8 | Confident | 20 Ų | 20 | 21.2 Ų | 21.2 | 12% | 0.121 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -73.6 | -28.5 | 179.4 | 176 | 0 | 0 | 0 | 0 | 112.7 | F268 N272 L290 I292 H296 T297 | F268-V294 HydrophobicContact CB-CG2 4.12Å; F268-V294 HydrophobicContact CD1-CB 4.21Å; F268-V294 HydrophobicContact CD1-CG1 4.24Å; F268-V294 HydrophobicContact CD1-CG2 4.05Å; N272-V294 HydrophobicContact CB-CG2 3.96Å; L290-V294 WeakPolarHBondContact O-CB 3.29Å; L290-V294 VanDerWaalsContact O-CG2 3.29Å; L290-V294 WeakPolarHBondContact O-CG2 3.43Å; L290-V294 PolarHBondContact O-N 2.98Å; I292-V294 VanDerWaalsContact C-N 3.26Å; I292-V294 PolarHBondContact O-N 3.31Å; V294-H296 VanDerWaalsContact C-N 3.32Å; V294-T297 VanDerWaalsContact O-O 3.14Å |
| 295 | A | 84.7 | Confident | 90 | Very high | 34 Ų | 34 | 20.7 Ų | 20.7 | 28% | 0.281 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -70.4 | -30.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F16 V46 P291 I292 | F16-A295 HydrophobicContact CZ-CB 4.09Å; V46-A295 HydrophobicContact CG1-CB 3.98Å; V46-A295 WeakPolarHBondContact O-CB 3.27Å; P291-A295 VanDerWaalsContact O-CB 3.32Å; P291-A295 WeakPolarHBondContact O-CB 3.48Å; P291-A295 PolarHBondContact O-N 2.99Å; I292-A295 PolarHBondContact O-N 3.06Å; I292-A295 VanDerWaalsContact O-N 3.1Å |
| 296 | H | 89 | Confident | 90.2 | Very high | 25 Ų | 25 | 20.5 Ų | 20.5 | 12% | 0.116 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -106 | -2.8 | -174.5 | -65.3 | -59.8 | 0 | 0 | 0 | 114.4 | E45 Q48 H104 I292 Y293 V294 | E45-H296 PolarHBondContact O-NE2 2.86Å; Q48-H296 PolarHBondContact O-CE1 3.3Å; H104-H296 HydrophobicContact CB-CB 4.3Å; H104-H296 AromaticContact CD2-CD2 3.82Å; H104-H296 AromaticContact CD2-CE1 3.99Å; H104-H296 AromaticContact CD2-CG 3.53Å; H104-H296 AromaticContact CD2-ND1 3.68Å; H104-H296 AromaticContact CE1-CD2 3.15Å; H104-H296 PolarHBondContact CE1-CD2 2.87Å; H104-H296 AromaticContact CE1-CG 3.51Å; H104-H296 AromaticContact CE1-NE2 3.78Å; H104-H296 AromaticContact CG-CG 3.75Å; H104-H296 AromaticContact ND1-CD2 3.79Å; H104-H296 AromaticContact ND1-CG 3.71Å; H104-H296 AromaticContact NE2-CD2 3.16Å; H104-H296 PolarHBondContact NE2-CD2 3.41Å; H104-H296 AromaticContact NE2-CE1 3.69Å; H104-H296 AromaticContact NE2-CG 3.39Å; H104-H296 AromaticContact NE2-ND1 3.75Å; H104-H296 AromaticContact NE2-NE2 3.33Å; H104-H296 PolarHBondContact NE2-NE2 2.81Å; I292-H296 PolarHBondContact O-CD2 2.9Å; I292-H296 PolarHBondContact O-N 3.32Å; Y293-H296 PolarHBondContact O-N 3.33Å; V294-H296 VanDerWaalsContact C-N 3.32Å |
| 297 | T | 87.5 | Confident | 90.5 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.012 | 12% | 0.124 | C | C | . | . | trans | -145 | 132.9 | -178.6 | -30.3 | 0 | 0 | 0 | 0 | 110.2 | L100 N272 M274 Y293 V294 W392 | L100-T297 VanDerWaalsContact O-CG2 3.3Å; L100-T297 WeakPolarHBondContact O-CG2 3.41Å; N272-T297 PolarHBondContact ND2-O 3.4Å; M274-T297 HydrophobicContact CE-CG2 4.19Å; M274-T297 HydrophobicContact CG-CG2 3.37Å; M274-T297 HydrophobicContact SD-CG2 4.02Å; Y293-T297 WeakPolarHBondContact O-CB 3.27Å; Y293-T297 PolarHBondContact O-N 2.58Å; Y293-T297 PolarHBondContact O-OG1 3.43Å; Y293-T297 VanDerWaalsContact O-OG1 3.13Å; V294-T297 VanDerWaalsContact O-O 3.14Å; T297-W392 HydrophobicContact CG2-CH2 4.21Å; T297-W392 HydrophobicContact CG2-CZ2 4.4Å | ||
| 298 | P | 90.5 | Very high | 91 | Very high | 55 Ų | 55 | 15.9 Ų | 15.9 | 36% | 0.357 | 10% | 0.103 | S | C | . | . | S | Bend | cis | -69.5 | 144.7 | 3.2 | 32.3 | -36.3 | 0 | 0 | 0 | 112.9 | L100 I273 | L100-P298 HydrophobicContact CB-CB 3.99Å; L100-P298 HydrophobicContact CD2-CB 4.04Å; L100-P298 HydrophobicContact CG-CB 4.46Å; L100-P298 CarbonylContact O-C 3.56Å; L100-P298 VanDerWaalsContact O-CA 3.24Å; L100-P298 WeakPolarHBondContact O-CA 3.36Å; I273-P298 HydrophobicContact CG2-CB 3.81Å; I273-P298 HydrophobicContact CG2-CG 3.67Å |
| 299 | A | 92.8 | Very high | 91.5 | Very high | 5 Ų | 5 | 12.2 Ų | 12.2 | 4% | 0.041 | 8% | 0.075 | C | C | . | . | trans | -98.5 | 2.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L100 S134 T135 | L100-A299 PolarHBondContact O-N 3.35Å; S134-A299 CarbonylContact C-O 3.6Å; S134-A299 VanDerWaalsContact C-O 3.31Å; S134-A299 VanDerWaalsContact CA-O 3.25Å; S134-A299 WeakPolarHBondContact CA-O 3.09Å; T135-A299 PolarHBondContact N-O 3.36Å; T135-A299 WeakPolarHBondContact OG1-CA 3.1Å; T135-A299 PolarHBondContact OG1-O 2.98Å | ||
| 300 | G | 92.4 | Very high | 91.9 | Very high | 10 Ų | 10 | 11.7 Ų | 11.7 | 10% | 0.103 | 7% | 0.073 | C | C | . | . | trans | 107.9 | 146 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | G133 | G133-G300 CarbonylContact O-C 3.59Š| ||
| 301 | T | 96.3 | Very high | 92.3 | Very high | 3 Ų | 3 | 13.2 Ų | 13.2 | 2% | 0.018 | 8% | 0.08 | C | C | . | . | trans | -166.1 | 171.1 | 170.4 | -157.5 | 0 | 0 | 0 | 0 | 108.8 | L99 L100 F246 N305 M306 | L99-T301 HydrophobicContact CD1-CG2 4.41Å; L100-T301 HydrophobicContact CD2-CG2 3.36Å; L100-T301 HydrophobicContact CG-CG2 4.03Å; F246-T301 HydrophobicContact CB-CG2 3.9Å; F246-T301 HydrophobicContact CD1-CG2 4.24Å; F246-T301 HydrophobicContact CG-CG2 4.42Å; F246-T301 PolarHBondContact N-O 3.12Å; T301-N305 PolarHBondContact OG1-ND2 3.19Å; T301-M306 HydrophobicContact CG2-CG 4.1Å; T301-M306 HydrophobicContact CG2-SD 3.99Å | ||
| 302 | S | 96.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 8% | 0.079 | C | C | . | . | B | Isolated β-bridge | trans | -84.6 | 154.6 | 175.4 | 64 | 0 | 0 | 0 | 0 | 112.8 | W151 F153 Q304 N305 M306 | W151-S302 WeakPolarHBondContact O-CB 3.22Å; F153-S302 WeakPolarHBondContact CE2-OG 3.49Å; F153-S302 PolarHBondContact O-OG 3.38Å; S302-Q304 PolarHBondContact O-N 3.2Å; S302-N305 WeakPolarHBondContact O-CB 3.19Å; S302-N305 PolarHBondContact O-N 3.5Å; S302-N305 VanDerWaalsContact OG-CB 3.27Å; S302-N305 WeakPolarHBondContact OG-CB 3.38Å; S302-N305 PolarHBondContact OG-N 3.23Å; S302-M306 PolarHBondContact O-N 3.02Å |
| 303 | V | 95.2 | Very high | 93.3 | Very high | 10 Ų | 10 | 13.7 Ų | 13.7 | 6% | 0.061 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -58.9 | -39 | 166.7 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | V237 F241 G244 F246 N305 M306 V307 | V237-V303 HydrophobicContact CG1-CG1 3.35Å; F241-V303 HydrophobicContact CB-CB 4.45Å; F241-V303 HydrophobicContact CB-CG1 3.77Å; F241-V303 HydrophobicContact CB-CG2 4.07Å; F241-V303 HydrophobicContact CD2-CG1 4.48Å; F241-V303 VanDerWaalsContact O-CG2 3.24Å; F241-V303 WeakPolarHBondContact O-CG2 3.29Å; G244-V303 WeakPolarHBondContact O-CG2 3.47Å; G244-V303 PolarHBondContact O-N 3.04Å; F246-V303 HydrophobicContact CB-CG2 4.21Å; V303-N305 VanDerWaalsContact C-N 3.26Å; V303-N305 PolarHBondContact O-N 3.11Å; V303-M306 PolarHBondContact O-N 2.65Å; V303-M306 VanDerWaalsContact O-N 3.1Å; V303-V307 HydrophobicContact CG1-CG2 4.27Å; V303-V307 WeakPolarHBondContact O-CG2 3.37Å; V303-V307 PolarHBondContact O-N 2.64Å |
| 304 | Q | 95.5 | Very high | 93.6 | Very high | 23 Ų | 23 | 16.4 Ų | 16.4 | 11% | 0.107 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.4 | -38 | 177 | 175.5 | 169.6 | -45.4 | 0 | 0 | 111.7 | E152 F153 S302 V307 H308 Y321 Y323 | E152-Q304 PolarHBondContact O-NE2 3.19Å; F153-Q304 VanDerWaalsContact O-CB 3.29Å; F153-Q304 WeakPolarHBondContact O-CB 3.38Å; F153-Q304 WeakPolarHBondContact O-CG 3.38Å; S302-Q304 PolarHBondContact O-N 3.2Å; Q304-V307 PolarHBondContact O-N 3.18Å; Q304-H308 PolarHBondContact O-N 3.24Å; Q304-Y321 HydrophobicContact CG-CD2 4.17Å; Q304-Y321 HydrophobicContact CG-CE1 4.11Å; Q304-Y321 HydrophobicContact CG-CE2 3.73Å; Q304-Y321 WeakPolarHBondContact O-CE2 3.18Å; Q304-Y323 PolarHBondContact NE2-OH 3.36Å |
| 305 | N | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63 | -45.2 | 173.7 | -165.7 | 35.3 | 0 | 0 | 0 | 111.6 | L99 F153 W155 Q186 T301 S302 V303 V307 H308 Y309 | L99-N305 WeakPolarHBondContact CD1-ND2 3.26Å; F153-N305 PolarHBondContact O-N 3.03Å; W155-N305 VanDerWaalsContact CD1-OD1 3.29Å; W155-N305 PolarHBondContact N-OD1 2.69Å; Q186-N305 PolarHBondContact OE1-ND2 3.04Å; T301-N305 PolarHBondContact OG1-ND2 3.19Å; S302-N305 WeakPolarHBondContact O-CB 3.19Å; S302-N305 PolarHBondContact O-N 3.5Å; S302-N305 VanDerWaalsContact OG-CB 3.27Å; S302-N305 WeakPolarHBondContact OG-CB 3.38Å; S302-N305 PolarHBondContact OG-N 3.23Å; V303-N305 VanDerWaalsContact C-N 3.26Å; V303-N305 PolarHBondContact O-N 3.11Å; N305-V307 VanDerWaalsContact C-N 3.34Å; N305-V307 PolarHBondContact O-N 2.89Å; N305-H308 VanDerWaalsContact O-CB 3.32Å; N305-H308 WeakPolarHBondContact O-CB 3.36Å; N305-H308 PolarHBondContact O-N 3.39Å; N305-H308 VanDerWaalsContact O-N 3.08Å; N305-Y309 WeakPolarHBondContact O-CD2 3.28Å; N305-Y309 PolarHBondContact O-N 3.18Å |
| 306 | M | 95.2 | Very high | 94.7 | Very high | 5 Ų | 5 | 18.8 Ų | 18.8 | 3% | 0.025 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.6 | -39.8 | 177 | -63 | -55 | -62.2 | 0 | 0 | 112.7 | L99 L100 F241 F246 L277 T301 S302 V303 H308 Y309 C310 | L99-M306 HydrophobicContact CD1-SD 3.92Å; L99-M306 HydrophobicContact CD2-SD 4.27Å; L100-M306 HydrophobicContact CD1-SD 4.42Å; F241-M306 HydrophobicContact CD2-CB 4.16Å; F241-M306 HydrophobicContact CE2-CB 4.21Å; F241-M306 HydrophobicContact CG-CB 4.37Å; F241-M306 HydrophobicContact CZ-CB 4.45Å; F246-M306 HydrophobicContact CB-CG 3.97Å; F246-M306 HydrophobicContact CD1-CG 3.96Å; F246-M306 HydrophobicContact CD1-SD 4.25Å; F246-M306 HydrophobicContact CD2-CB 4.46Å; F246-M306 HydrophobicContact CD2-CG 3.71Å; F246-M306 HydrophobicContact CE1-CE 4.27Å; F246-M306 HydrophobicContact CE1-CG 4.34Å; F246-M306 HydrophobicContact CE1-SD 4.32Å; F246-M306 HydrophobicContact CE2-CG 4.16Å; F246-M306 HydrophobicContact CG-CG 3.58Å; F246-M306 HydrophobicContact CG-SD 4.46Å; F246-M306 HydrophobicContact CZ-CE 4.18Å; F246-M306 HydrophobicContact CZ-CG 4.42Å; L277-M306 HydrophobicContact CD1-CE 4.41Å; T301-M306 HydrophobicContact CG2-CG 4.1Å; T301-M306 HydrophobicContact CG2-SD 3.99Å; S302-M306 PolarHBondContact O-N 3.02Å; V303-M306 PolarHBondContact O-N 2.65Å; V303-M306 VanDerWaalsContact O-N 3.1Å; M306-H308 VanDerWaalsContact C-N 3.29Å; M306-H308 PolarHBondContact O-N 2.72Å; M306-Y309 WeakPolarHBondContact O-CB 3.39Å; M306-Y309 PolarHBondContact O-N 3.28Å; M306-C310 PolarHBondContact O-N 2.86Å; M306-C310 VanDerWaalsContact O-N 3.15Å |
| 307 | V | 95.4 | Very high | 95 | Very high | 7 Ų | 7 | 24.3 Ų | 24.3 | 4% | 0.042 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.6 | -40.8 | 172.8 | 174.7 | 0 | 0 | 0 | 0 | 110.5 | V237 F241 V303 Q304 N305 Y309 C310 Q311 Y321 | V237-V307 HydrophobicContact CB-CG2 4.32Å; V237-V307 HydrophobicContact CG1-CG2 3.7Å; V237-V307 HydrophobicContact CG2-CG2 3.6Å; F241-V307 HydrophobicContact CD2-CG2 4.02Å; F241-V307 HydrophobicContact CE2-CG2 4.23Å; V303-V307 HydrophobicContact CG1-CG2 4.27Å; V303-V307 WeakPolarHBondContact O-CG2 3.37Å; V303-V307 PolarHBondContact O-N 2.64Å; Q304-V307 PolarHBondContact O-N 3.18Å; N305-V307 VanDerWaalsContact C-N 3.34Å; N305-V307 PolarHBondContact O-N 2.89Å; V307-Y309 VanDerWaalsContact C-N 3.32Å; V307-Y309 PolarHBondContact O-N 3.19Å; V307-C310 WeakPolarHBondContact O-CB 3.46Å; V307-C310 PolarHBondContact O-N 3.34Å; V307-Q311 HydrophobicContact CG1-CG 4.42Å; V307-Q311 WeakPolarHBondContact O-CG 3.36Å; V307-Q311 PolarHBondContact O-N 2.56Å; V307-Y321 HydrophobicContact CB-CE2 4.15Å; V307-Y321 HydrophobicContact CG1-CE2 3.93Å; V307-Y321 WeakPolarHBondContact CG1-OH 3.5Å |
| 308 | H | 96.5 | Very high | 95.5 | Very high | 3 Ų | 3 | 24.5 Ų | 24.5 | 1% | 0.014 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.8 | -41.9 | 177.6 | -156.6 | 169.6 | 0 | 0 | 0 | 111.9 | S154 W155 D156 Q304 N305 M306 C310 Q311 G312 Q319 K320 Y321 | S154-H308 PolarHBondContact OG-ND1 2.78Å; W155-H308 AromaticContact CD1-ND1 3.82Å; W155-H308 AromaticContact CE2-CE1 3.33Å; W155-H308 AromaticContact CE2-CG 3.87Å; W155-H308 AromaticContact CE2-ND1 3.38Å; W155-H308 AromaticContact CE2-NE2 3.82Å; W155-H308 AromaticContact CH2-CE1 3.87Å; W155-H308 AromaticContact CZ2-CE1 3.16Å; W155-H308 WeakPolarHBondContact CZ2-CE1 3.48Å; W155-H308 AromaticContact CZ2-ND1 3.73Å; W155-H308 AromaticContact CZ2-NE2 3.36Å; W155-H308 WeakPolarHBondContact CZ2-NE2 3.38Å; W155-H308 AromaticContact NE1-CD2 3.81Å; W155-H308 AromaticContact NE1-CE1 3.58Å; W155-H308 AromaticContact NE1-CG 3.29Å; W155-H308 VanDerWaalsContact NE1-CG 3.29Å; W155-H308 AromaticContact NE1-ND1 3.17Å; W155-H308 PolarHBondContact NE1-ND1 3.12Å; W155-H308 VanDerWaalsContact NE1-ND1 3.17Å; W155-H308 AromaticContact NE1-NE2 3.97Å; D156-H308 VanDerWaalsContact CG-CE1 3.42Å; D156-H308 IonicContact OD1-CE1 2.62Å; D156-H308 PolarHBondContact OD1-CE1 2.92Å; D156-H308 IonicContact OD1-ND1 3.42Å; D156-H308 IonicContact OD2-CE1 3.91Å; D156-H308 PolarHBondContact OD2-CE1 3.31Å; D156-H308 IonicContact OD2-ND1 2.76Å; Q304-H308 PolarHBondContact O-N 3.24Å; N305-H308 VanDerWaalsContact O-CB 3.32Å; N305-H308 WeakPolarHBondContact O-CB 3.36Å; N305-H308 PolarHBondContact O-N 3.39Å; N305-H308 VanDerWaalsContact O-N 3.08Å; M306-H308 VanDerWaalsContact C-N 3.29Å; M306-H308 PolarHBondContact O-N 2.72Å; H308-C310 VanDerWaalsContact C-N 3.31Å; H308-C310 PolarHBondContact O-N 2.99Å; H308-Q311 WeakPolarHBondContact O-CB 3.22Å; H308-Q311 PolarHBondContact O-N 3.23Å; H308-G312 PolarHBondContact O-N 3.28Å; H308-Q319 PolarHBondContact NE2-O 3.34Å; H308-Q319 VanDerWaalsContact NE2-O 3.15Å; H308-K320 VanDerWaalsContact CE1-C 3.49Å; H308-Y321 HydrophobicContact CB-CD2 3.59Å; H308-Y321 HydrophobicContact CB-CE2 4.02Å; H308-Y321 VanDerWaalsContact CE1-CA 3.46Å; H308-Y321 WeakPolarHBondContact CE1-CA 3.4Å; H308-Y321 PolarHBondContact CE1-N 3.03Å; H308-Y321 AromaticContact CG-CD2 3.57Å; H308-Y321 AromaticContact ND1-CD2 3.85Å; H308-Y321 WeakPolarHBondContact NE2-CA 3.25Å; H308-Y321 PolarHBondContact NE2-N 3.37Å |
| 309 | Y | 96.2 | Very high | 95.8 | Very high | 17 Ų | 17 | 22.4 Ų | 22.4 | 7% | 0.067 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.4 | -43.6 | 172.4 | -89.8 | -95 | 0 | 0 | 0 | 112.2 | L99 W155 Q186 Q189 L217 N305 M306 V307 Q311 G312 I313 | L99-Y309 HydrophobicContact CD1-CD2 4.28Å; L99-Y309 HydrophobicContact CD1-CE2 3.86Å; L99-Y309 HydrophobicContact CD2-CD1 4.34Å; L99-Y309 HydrophobicContact CD2-CD2 4.31Å; L99-Y309 HydrophobicContact CD2-CE1 4.14Å; L99-Y309 HydrophobicContact CD2-CE2 4.13Å; L99-Y309 HydrophobicContact CD2-CG 4.42Å; L99-Y309 HydrophobicContact CG-CE2 4.41Å; W155-Y309 AromaticContact CD1-CE2 3.83Å; Q186-Y309 VanDerWaalsContact CB-OH 3.26Å; Q186-Y309 WeakPolarHBondContact CB-OH 3.3Å; Q186-Y309 VanDerWaalsContact CG-OH 3.26Å; Q186-Y309 WeakPolarHBondContact CG-OH 3.47Å; Q186-Y309 PolarHBondContact OE1-OH 2.95Å; Q186-Y309 VanDerWaalsContact OE1-OH 3.08Å; Q189-Y309 PolarHBondContact OE1-OH 2.81Å; L217-Y309 HydrophobicContact CD1-CD1 3.4Å; L217-Y309 VanDerWaalsContact CD1-CD1 3.4Å; L217-Y309 HydrophobicContact CD1-CE1 3.9Å; L217-Y309 HydrophobicContact CD1-CG 4.23Å; N305-Y309 WeakPolarHBondContact O-CD2 3.28Å; N305-Y309 PolarHBondContact O-N 3.18Å; M306-Y309 WeakPolarHBondContact O-CB 3.39Å; M306-Y309 PolarHBondContact O-N 3.28Å; V307-Y309 VanDerWaalsContact C-N 3.32Å; V307-Y309 PolarHBondContact O-N 3.19Å; Y309-Q311 PolarHBondContact O-N 3.38Å; Y309-G312 PolarHBondContact O-N 3.4Å; Y309-I313 VanDerWaalsContact O-CG1 3.3Å; Y309-I313 WeakPolarHBondContact O-CG1 3.43Å; Y309-I313 PolarHBondContact O-N 3.3Å |
| 310 | C | 95.7 | Very high | 96.1 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.014 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.3 | -36.7 | 177.1 | -68.6 | 0 | 0 | 0 | 0 | 113.1 | A228 V231 M306 V307 H308 G312 I313 V314 | A228-C310 HydrophobicContact CB-CB 3.82Å; V231-C310 HydrophobicContact CG2-CB 3.32Å; V231-C310 WeakPolarHBondContact CG2-SG 3.49Å; M306-C310 PolarHBondContact O-N 2.86Å; M306-C310 VanDerWaalsContact O-N 3.15Å; V307-C310 WeakPolarHBondContact O-CB 3.46Å; V307-C310 PolarHBondContact O-N 3.34Å; H308-C310 VanDerWaalsContact C-N 3.31Å; H308-C310 PolarHBondContact O-N 2.99Å; C310-G312 VanDerWaalsContact C-N 3.35Å; C310-I313 PolarHBondContact O-N 3.08Å; C310-V314 VanDerWaalsContact O-CG2 3.27Å; C310-V314 WeakPolarHBondContact O-CG2 3.27Å; C310-V314 PolarHBondContact O-N 3.06Å; C310-V314 VanDerWaalsContact O-N 3.08Å |
| 311 | Q | 95.8 | Very high | 96.3 | Very high | 33 Ų | 33 | 24.7 Ų | 24.7 | 15% | 0.154 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.1 | -45.8 | 170.6 | -67.1 | 172.5 | -5.2 | 0 | 0 | 111.1 | V307 H308 Y309 I313 V314 T315 D322 | V307-Q311 HydrophobicContact CG1-CG 4.42Å; V307-Q311 WeakPolarHBondContact O-CG 3.36Å; V307-Q311 PolarHBondContact O-N 2.56Å; H308-Q311 WeakPolarHBondContact O-CB 3.22Å; H308-Q311 PolarHBondContact O-N 3.23Å; Y309-Q311 PolarHBondContact O-N 3.38Å; Q311-I313 VanDerWaalsContact C-N 3.35Å; Q311-I313 PolarHBondContact O-N 3.5Å; Q311-V314 PolarHBondContact O-N 2.82Å; Q311-T315 WeakPolarHBondContact O-CB 3.3Å; Q311-T315 WeakPolarHBondContact O-CG2 3.35Å; Q311-T315 PolarHBondContact O-N 3.02Å; Q311-T315 PolarHBondContact O-OG1 2.91Å; Q311-D322 PolarHBondContact NE2-O 3.19Å |
| 312 | G | 96.3 | Very high | 96.3 | Very high | 11 Ų | 11 | 27.4 Ų | 27.4 | 11% | 0.113 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.8 | -40.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | H308 Y309 C310 D316 | H308-G312 PolarHBondContact O-N 3.28Å; Y309-G312 PolarHBondContact O-N 3.4Å; C310-G312 VanDerWaalsContact C-N 3.35Å; G312-D316 VanDerWaalsContact O-CA 3.31Å; G312-D316 WeakPolarHBondContact O-CA 3.45Å; G312-D316 PolarHBondContact O-N 2.99Å |
| 313 | I | 96.4 | Very high | 96.2 | Very high | 22 Ų | 22 | 29.6 Ų | 29.6 | 11% | 0.113 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.4 | -43.8 | 175.6 | -67.2 | 161.8 | 0 | 0 | 0 | 111.5 | L217 I220 I224 R225 A228 Y309 C310 Q311 | L217-I313 HydrophobicContact CB-CG1 3.74Å; L217-I313 HydrophobicContact CD1-CG1 4.38Å; I220-I313 HydrophobicContact CD1-CD1 3.42Å; I220-I313 VanDerWaalsContact CD1-CD1 3.42Å; I220-I313 HydrophobicContact CD1-CG1 3.61Å; I220-I313 HydrophobicContact CG1-CG1 4.34Å; I224-I313 HydrophobicContact CG2-CD1 3.92Å; R225-I313 HydrophobicContact CB-CG2 4.07Å; A228-I313 HydrophobicContact CB-CB 3.9Å; A228-I313 HydrophobicContact CB-CD1 3.94Å; A228-I313 HydrophobicContact CB-CG2 3.76Å; Y309-I313 VanDerWaalsContact O-CG1 3.3Å; Y309-I313 WeakPolarHBondContact O-CG1 3.43Å; Y309-I313 PolarHBondContact O-N 3.3Å; C310-I313 PolarHBondContact O-N 3.08Å; Q311-I313 VanDerWaalsContact C-N 3.35Å; Q311-I313 PolarHBondContact O-N 3.5Å |
| 314 | V | 96 | Very high | 96 | Very high | 58 Ų | 58 | 30.6 Ų | 30.6 | 35% | 0.352 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -74.7 | -40.3 | -175.4 | 172.4 | 0 | 0 | 0 | 0 | 111.8 | A228 P229 C310 Q311 | A228-V314 HydrophobicContact CB-CG2 4.22Å; P229-V314 HydrophobicContact CB-CG2 4.32Å; P229-V314 HydrophobicContact CG-CG2 4.2Å; C310-V314 VanDerWaalsContact O-CG2 3.27Å; C310-V314 WeakPolarHBondContact O-CG2 3.27Å; C310-V314 PolarHBondContact O-N 3.06Å; C310-V314 VanDerWaalsContact O-N 3.08Å; Q311-V314 PolarHBondContact O-N 2.82Å |
| 315 | T | 95.7 | Very high | 95.9 | Very high | 52 Ų | 52 | 34.7 Ų | 34.7 | 32% | 0.319 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -87.8 | -24.4 | -174.5 | 58.2 | 0 | 0 | 0 | 0 | 113 | Q311 R317 | Q311-T315 WeakPolarHBondContact O-CB 3.3Å; Q311-T315 WeakPolarHBondContact O-CG2 3.35Å; Q311-T315 PolarHBondContact O-N 3.02Å; Q311-T315 PolarHBondContact O-OG1 2.91Å; T315-R317 WeakPolarHBondContact O-CG 3.46Å; T315-R317 PolarHBondContact O-N 3.17Å |
| 316 | D | 96.4 | Very high | 95.9 | Very high | 51 Ų | 51 | 40.7 Ų | 40.7 | 27% | 0.273 | 21% | 0.209 | S | C | . | . | trans | 51.6 | 45 | -171.3 | -171.9 | 23.6 | 0 | 0 | 0 | 111.9 | G218 G312 K367 | G218-D316 PolarHBondContact N-OD1 3.11Å; G312-D316 VanDerWaalsContact O-CA 3.31Å; G312-D316 WeakPolarHBondContact O-CA 3.45Å; G312-D316 PolarHBondContact O-N 2.99Å; D316-K367 PolarHBondContact O-NZ 3.24Å; D316-K367 IonicContact OD1-NZ 2.61Å; D316-K367 PolarHBondContact OD1-NZ 3.01Å; D316-K367 IonicContact OD2-NZ 3.45Å; D316-K367 PolarHBondContact OD2-NZ 3.34Å | ||
| 317 | R | 96.3 | Very high | 95.9 | Very high | 141 Ų | 141 | 44 Ų | 44 | 53% | 0.532 | 22% | 0.223 | S | C | . | . | trans | -130.4 | 145.7 | -178.8 | -71 | 173.1 | -174.8 | -161 | 2.2 | 110.8 | T315 Q319 L339 | T315-R317 WeakPolarHBondContact O-CG 3.46Å; T315-R317 PolarHBondContact O-N 3.17Å; R317-Q319 HydrophobicContact CB-CB 4.35Å; R317-Q319 HydrophobicContact CB-CG 4.06Å; R317-Q319 VanDerWaalsContact CB-OE1 3.28Å; R317-L339 HydrophobicContact CB-CD2 4.21Å; R317-L339 HydrophobicContact CG-CD2 4.43Å | ||
| 318 | F | 97.4 | Very high | 95.9 | Very high | 6 Ų | 6 | 43.7 Ų | 43.7 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | trans | -94.2 | 96.8 | 169.2 | -170.3 | -127.3 | 0 | 0 | 0 | 107.9 | W155 Q189 L192 A193 A215 Y216 Y340 I342 | W155-F318 HydrophobicContact CE3-CE2 4.49Å; W155-F318 AromaticContact CH2-CD2 3.95Å; W155-F318 HydrophobicContact CH2-CD2 3.95Å; W155-F318 AromaticContact CH2-CE2 3.5Å; W155-F318 HydrophobicContact CH2-CE2 3.5Å; W155-F318 HydrophobicContact CH2-CZ 4.28Å; W155-F318 HydrophobicContact CZ2-CE2 4.33Å; W155-F318 HydrophobicContact CZ3-CD2 4.47Å; W155-F318 AromaticContact CZ3-CE2 3.59Å; W155-F318 HydrophobicContact CZ3-CE2 3.59Å; W155-F318 HydrophobicContact CZ3-CZ 4.02Å; Q189-F318 HydrophobicContact CG-CE2 3.59Å; Q189-F318 HydrophobicContact CG-CZ 4.26Å; L192-F318 HydrophobicContact CB-CE1 3.93Å; L192-F318 HydrophobicContact CB-CZ 3.91Å; A193-F318 HydrophobicContact CB-CZ 4.2Å; A215-F318 HydrophobicContact CB-CD2 4.32Å; A215-F318 WeakPolarHBondContact O-CD2 3.49Å; Y216-F318 HydrophobicContact CE1-CB 3.88Å; F318-Y340 VanDerWaalsContact CD1-CB 3.46Å; F318-Y340 HydrophobicContact CD1-CD2 4.25Å; F318-Y340 HydrophobicContact CD1-CG 4.15Å; F318-Y340 VanDerWaalsContact CE1-CB 3.49Å; F318-Y340 HydrophobicContact CE1-CD2 4.03Å; F318-Y340 AromaticContact CE1-CG 3.83Å; F318-Y340 HydrophobicContact CE1-CG 3.83Å; F318-Y340 HydrophobicContact CE2-CD2 4.37Å; F318-Y340 HydrophobicContact CZ-CD2 4.09Å; F318-Y340 HydrophobicContact CZ-CG 4.26Å; F318-Y340 PolarHBondContact O-N 3.07Å; F318-Y340 VanDerWaalsContact O-N 3.09Å; F318-I342 HydrophobicContact CD1-CD1 4.15Å; F318-I342 HydrophobicContact CD1-CG2 3.85Å; F318-I342 HydrophobicContact CE1-CG2 3.58Å | ||
| 319 | Q | 97.4 | Very high | 96 | Very high | 11 Ų | 11 | 47.7 Ų | 47.7 | 5% | 0.051 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -147.4 | 163.5 | -166.6 | 65.8 | 176.4 | 48.2 | 0 | 0 | 110.4 | W155 H308 R317 P337 P338 L339 | W155-Q319 WeakPolarHBondContact CH2-O 3.43Å; W155-Q319 WeakPolarHBondContact CZ2-O 3.23Å; H308-Q319 PolarHBondContact NE2-O 3.34Å; H308-Q319 VanDerWaalsContact NE2-O 3.15Å; R317-Q319 HydrophobicContact CB-CB 4.35Å; R317-Q319 HydrophobicContact CB-CG 4.06Å; R317-Q319 VanDerWaalsContact CB-OE1 3.28Å; Q319-P337 HydrophobicContact CG-CG 4.46Å; Q319-P338 WeakPolarHBondContact CA-O 3.41Å; Q319-L339 HydrophobicContact CB-CD2 3.61Å |
| 320 | K | 97.8 | Very high | 96.1 | Very high | 36 Ų | 36 | 53.8 Ų | 53.8 | 16% | 0.157 | 27% | 0.272 | C | S | . | . | trans | -68.3 | 168.3 | 173.7 | -57.8 | -163.5 | -176.7 | -171.7 | 0 | 112.3 | D156 E197 H308 D322 Y332 P337 P338 Y340 | D156-K320 WeakPolarHBondContact OD2-CA 3.39Å; D156-K320 WeakPolarHBondContact OD2-CB 3.39Å; E197-K320 VanDerWaalsContact OE1-CE 3.3Å; E197-K320 WeakPolarHBondContact OE1-CE 3.38Å; E197-K320 IonicContact OE1-NZ 3.86Å; E197-K320 PolarHBondContact OE1-NZ 3.37Å; E197-K320 IonicContact OE2-NZ 3.25Å; H308-K320 VanDerWaalsContact CE1-C 3.49Å; K320-D322 PolarHBondContact O-N 3.25Å; K320-Y332 HydrophobicContact CB-CE1 4.3Å; K320-Y332 WeakPolarHBondContact CB-OH 3.45Å; K320-Y332 HydrophobicContact CD-CE1 3.8Å; K320-P337 HydrophobicContact CB-CB 4.22Å; K320-P337 WeakPolarHBondContact O-CB 3.37Å; K320-P337 WeakPolarHBondContact O-CG 3.22Å; K320-P338 HydrophobicContact CB-CG 4.34Å; K320-P338 HydrophobicContact CD-CG 3.7Å; K320-P338 HydrophobicContact CG-CG 3.97Å; K320-P338 PolarHBondContact N-O 2.58Å; K320-Y340 HydrophobicContact CG-CE2 3.76Å | ||
| 321 | Y | 97 | Very high | 96 | Very high | 28 Ų | 28 | 57.6 Ų | 57.6 | 11% | 0.11 | 29% | 0.291 | C | S | . | . | trans | -61.9 | 130 | -178.4 | -173.7 | -99.9 | 0 | 0 | 0 | 111.3 | D156 Q304 V307 H308 Y323 Y332 | D156-Y321 PolarHBondContact OD2-N 3.18Å; Q304-Y321 HydrophobicContact CG-CD2 4.17Å; Q304-Y321 HydrophobicContact CG-CE1 4.11Å; Q304-Y321 HydrophobicContact CG-CE2 3.73Å; Q304-Y321 WeakPolarHBondContact O-CE2 3.18Å; V307-Y321 HydrophobicContact CB-CE2 4.15Å; V307-Y321 HydrophobicContact CG1-CE2 3.93Å; V307-Y321 WeakPolarHBondContact CG1-OH 3.5Å; H308-Y321 HydrophobicContact CB-CD2 3.59Å; H308-Y321 HydrophobicContact CB-CE2 4.02Å; H308-Y321 VanDerWaalsContact CE1-CA 3.46Å; H308-Y321 WeakPolarHBondContact CE1-CA 3.4Å; H308-Y321 PolarHBondContact CE1-N 3.03Å; H308-Y321 AromaticContact CG-CD2 3.57Å; H308-Y321 AromaticContact ND1-CD2 3.85Å; H308-Y321 WeakPolarHBondContact NE2-CA 3.25Å; H308-Y321 PolarHBondContact NE2-N 3.37Å; Y321-Y323 AromaticContact CD1-CD1 3.56Å; Y321-Y323 HydrophobicContact CD1-CD1 3.56Å; Y321-Y323 AromaticContact CD1-CD2 3.74Å; Y321-Y323 HydrophobicContact CD1-CD2 3.74Å; Y321-Y323 AromaticContact CD1-CE1 3.56Å; Y321-Y323 HydrophobicContact CD1-CE1 3.56Å; Y321-Y323 AromaticContact CD1-CE2 3.74Å; Y321-Y323 HydrophobicContact CD1-CE2 3.74Å; Y321-Y323 AromaticContact CD1-CG 3.65Å; Y321-Y323 HydrophobicContact CD1-CG 3.65Å; Y321-Y323 AromaticContact CD1-CZ 3.64Å; Y321-Y323 AromaticContact CE1-CD1 3.68Å; Y321-Y323 HydrophobicContact CE1-CD1 3.68Å; Y321-Y323 AromaticContact CE1-CE1 3.89Å; Y321-Y323 HydrophobicContact CE1-CE1 3.89Å; Y321-Y323 HydrophobicContact CE1-CG 4.05Å; Y321-Y323 HydrophobicContact CG-CE2 4.4Å; Y321-Y323 WeakPolarHBondContact O-CD2 3.28Å; Y321-Y323 PolarHBondContact O-N 3.02Å; Y321-Y332 WeakPolarHBondContact O-CE2 3.26Å; Y321-Y332 PolarHBondContact O-OH 3.01Å; Y321-Y332 VanDerWaalsContact O-OH 3.04Å | ||
| 322 | D | 96.2 | Very high | 96.1 | Very high | 59 Ų | 59 | 57.8 Ų | 57.8 | 32% | 0.316 | 29% | 0.29 | S | S | . | . | trans | -83.2 | 105.6 | 173.2 | -167.3 | -14.1 | 0 | 0 | 0 | 109.7 | Q311 K320 G324 N328 P337 | Q311-D322 PolarHBondContact NE2-O 3.19Å; K320-D322 PolarHBondContact O-N 3.25Å; D322-G324 PolarHBondContact O-N 2.9Å; D322-G324 WeakPolarHBondContact OD1-CA 3.17Å; D322-G324 PolarHBondContact OD1-N 3.23Å; D322-N328 PolarHBondContact OD1-ND2 2.98Å; D322-P337 HydrophobicContact CB-CG 3.97Å | ||
| 323 | Y | 94.2 | Very high | 96.1 | Very high | 47 Ų | 47 | 64.4 Ų | 64.4 | 18% | 0.184 | 32% | 0.323 | C | S | . | . | trans | -82.3 | -0.1 | 175.3 | -67.2 | -85.7 | 0 | 0 | 0 | 113.2 | E157 Q304 Y321 K327 N328 I331 Y332 | E157-Y323 PolarHBondContact OE1-OH 3.03Å; Q304-Y323 PolarHBondContact NE2-OH 3.36Å; Y321-Y323 AromaticContact CD1-CD1 3.56Å; Y321-Y323 HydrophobicContact CD1-CD1 3.56Å; Y321-Y323 AromaticContact CD1-CD2 3.74Å; Y321-Y323 HydrophobicContact CD1-CD2 3.74Å; Y321-Y323 AromaticContact CD1-CE1 3.56Å; Y321-Y323 HydrophobicContact CD1-CE1 3.56Å; Y321-Y323 AromaticContact CD1-CE2 3.74Å; Y321-Y323 HydrophobicContact CD1-CE2 3.74Å; Y321-Y323 AromaticContact CD1-CG 3.65Å; Y321-Y323 HydrophobicContact CD1-CG 3.65Å; Y321-Y323 AromaticContact CD1-CZ 3.64Å; Y321-Y323 AromaticContact CE1-CD1 3.68Å; Y321-Y323 HydrophobicContact CE1-CD1 3.68Å; Y321-Y323 AromaticContact CE1-CE1 3.89Å; Y321-Y323 HydrophobicContact CE1-CE1 3.89Å; Y321-Y323 HydrophobicContact CE1-CG 4.05Å; Y321-Y323 HydrophobicContact CG-CE2 4.4Å; Y321-Y323 WeakPolarHBondContact O-CD2 3.28Å; Y321-Y323 PolarHBondContact O-N 3.02Å; Y323-K327 HydrophobicContact CD1-CD 3.7Å; Y323-K327 HydrophobicContact CD1-CG 4.06Å; Y323-K327 HydrophobicContact CG-CD 4.1Å; Y323-K327 HydrophobicContact CG-CG 3.94Å; Y323-N328 PolarHBondContact N-OD1 3.49Å; Y323-I331 HydrophobicContact CD1-CD1 4.06Å; Y323-I331 HydrophobicContact CD2-CD1 3.58Å; Y323-I331 HydrophobicContact CE1-CD1 4.05Å; Y323-I331 HydrophobicContact CE2-CD1 3.56Å; Y323-I331 HydrophobicContact CE2-CG2 4.47Å; Y323-I331 HydrophobicContact CG-CD1 3.83Å; Y323-Y332 AromaticContact CD2-CE2 3.96Å; Y323-Y332 HydrophobicContact CD2-CE2 3.96Å; Y323-Y332 HydrophobicContact CE2-CE2 4.34Å; Y323-Y332 AromaticContact CE2-CZ 3.93Å; Y323-Y332 VanDerWaalsContact CE2-OH 3.27Å; Y323-Y332 WeakPolarHBondContact CE2-OH 3.5Å | ||
| 324 | G | 92.9 | Very high | 96.2 | Very high | 30 Ų | 30 | 66.1 Ų | 66.1 | 31% | 0.309 | 33% | 0.331 | S | S | . | . | trans | 82.9 | 164.3 | -168.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D322 I326 K327 N328 | D322-G324 PolarHBondContact O-N 2.9Å; D322-G324 WeakPolarHBondContact OD1-CA 3.17Å; D322-G324 PolarHBondContact OD1-N 3.23Å; G324-I326 PolarHBondContact O-N 3.34Å; G324-I326 VanDerWaalsContact O-N 3.14Å; G324-K327 PolarHBondContact O-N 2.85Å; G324-N328 WeakPolarHBondContact O-CB 3.43Å; G324-N328 PolarHBondContact O-N 3.39Å; G324-N328 PolarHBondContact O-ND2 2.92Å | ||
| 325 | L | 93.4 | Very high | 96.2 | Very high | 110 Ų | 110 | 66 Ų | 66 | 58% | 0.576 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -46.1 | -51.9 | -167.9 | 176.8 | 61.7 | 0 | 0 | 0 | 114.7 | L329 S335 | L325-L329 HydrophobicContact CD1-CD1 4.25Å; L325-L329 WeakPolarHBondContact O-CG 3.38Å; L325-L329 PolarHBondContact O-N 3.15Å; L325-S335 VanDerWaalsContact CD1-CB 3.41Å |
| 326 | I | 95.7 | Very high | 96.2 | Very high | 125 Ų | 125 | 70.3 Ų | 70.3 | 64% | 0.641 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -70 | -48.8 | -172.8 | -61.6 | 174.9 | 0 | 0 | 0 | 110.7 | G324 L329 Q330 | G324-I326 PolarHBondContact O-N 3.34Å; G324-I326 VanDerWaalsContact O-N 3.14Å; I326-L329 PolarHBondContact O-N 2.87Å; I326-Q330 WeakPolarHBondContact O-CG 3.34Å; I326-Q330 PolarHBondContact O-N 3.43Å |
| 327 | K | 94.8 | Very high | 96.2 | Very high | 75 Ų | 75 | 68.1 Ų | 68.1 | 33% | 0.326 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -75.4 | -28 | -175.9 | -172.4 | 167.8 | 179.3 | 179.2 | 0 | 111.3 | E152 Y323 G324 Q330 I331 | E152-K327 IonicContact OE2-NZ 3.57Å; Y323-K327 HydrophobicContact CD1-CD 3.7Å; Y323-K327 HydrophobicContact CD1-CG 4.06Å; Y323-K327 HydrophobicContact CG-CD 4.1Å; Y323-K327 HydrophobicContact CG-CG 3.94Å; G324-K327 PolarHBondContact O-N 2.85Å; K327-Q330 PolarHBondContact O-N 3.33Å; K327-I331 HydrophobicContact CD-CD1 4.28Å; K327-I331 HydrophobicContact CG-CD1 3.63Å; K327-I331 HydrophobicContact CG-CG1 4.22Å; K327-I331 WeakPolarHBondContact O-CB 3.41Å; K327-I331 VanDerWaalsContact O-CG1 3.32Å; K327-I331 WeakPolarHBondContact O-CG1 3.41Å; K327-I331 PolarHBondContact O-N 3Å |
| 328 | N | 97 | Very high | 96.3 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 167.4 | -71.9 | -16 | 0 | 0 | 0 | 112.1 | D322 Y323 G324 Q330 I331 Y332 N333 Q334 S335 | D322-N328 PolarHBondContact OD1-ND2 2.98Å; Y323-N328 PolarHBondContact N-OD1 3.49Å; G324-N328 WeakPolarHBondContact O-CB 3.43Å; G324-N328 PolarHBondContact O-N 3.39Å; G324-N328 PolarHBondContact O-ND2 2.92Å; N328-Q330 VanDerWaalsContact C-N 3.25Å; N328-Q330 PolarHBondContact O-N 3.34Å; N328-I331 PolarHBondContact O-N 3.05Å; N328-Y332 HydrophobicContact CB-CD2 4.13Å; N328-Y332 WeakPolarHBondContact O-CA 3.38Å; N328-Y332 WeakPolarHBondContact O-CB 3.29Å; N328-Y332 PolarHBondContact O-N 3.06Å; N328-N333 PolarHBondContact O-N 3.16Å; N328-Q334 CarbonylContact C-O 3.5Å; N328-Q334 WeakPolarHBondContact CB-O 3.3Å; N328-Q334 VanDerWaalsContact O-O 3.09Å; N328-S335 PolarHBondContact ND2-O 3.4Å |
| 329 | L | 97.6 | Very high | 96.3 | Very high | 87 Ų | 87 | 67.5 Ų | 67.5 | 46% | 0.455 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.1 | -36.2 | 176.4 | -76.1 | 167.5 | 0 | 0 | 0 | 111.7 | L325 I326 N333 Q334 | L325-L329 HydrophobicContact CD1-CD1 4.25Å; L325-L329 WeakPolarHBondContact O-CG 3.38Å; L325-L329 PolarHBondContact O-N 3.15Å; I326-L329 PolarHBondContact O-N 2.87Å; L329-N333 VanDerWaalsContact O-CA 3.27Å; L329-N333 WeakPolarHBondContact O-CA 3.26Å; L329-N333 PolarHBondContact O-N 3.04Å; L329-Q334 PolarHBondContact N-O 2.91Å |
| 330 | Q | 97.3 | Very high | 96.3 | Very high | 146 Ų | 146 | 67.4 Ų | 67.4 | 68% | 0.682 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -70.8 | -42.2 | 177.3 | -69.3 | 173 | -24.2 | 0 | 0 | 113 | I326 K327 N328 | I326-Q330 WeakPolarHBondContact O-CG 3.34Å; I326-Q330 PolarHBondContact O-N 3.43Å; K327-Q330 PolarHBondContact O-N 3.33Å; N328-Q330 VanDerWaalsContact C-N 3.25Å; N328-Q330 PolarHBondContact O-N 3.34Å |
| 331 | I | 95.6 | Very high | 96.2 | Very high | 81 Ų | 81 | 69 Ų | 69 | 42% | 0.415 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -87.9 | -40.5 | -173.1 | -63.6 | 176 | 0 | 0 | 0 | 111.9 | Y323 K327 N328 | Y323-I331 HydrophobicContact CD1-CD1 4.06Å; Y323-I331 HydrophobicContact CD2-CD1 3.58Å; Y323-I331 HydrophobicContact CE1-CD1 4.05Å; Y323-I331 HydrophobicContact CE2-CD1 3.56Å; Y323-I331 HydrophobicContact CE2-CG2 4.47Å; Y323-I331 HydrophobicContact CG-CD1 3.83Å; K327-I331 HydrophobicContact CD-CD1 4.28Å; K327-I331 HydrophobicContact CG-CD1 3.63Å; K327-I331 HydrophobicContact CG-CG1 4.22Å; K327-I331 WeakPolarHBondContact O-CB 3.41Å; K327-I331 VanDerWaalsContact O-CG1 3.32Å; K327-I331 WeakPolarHBondContact O-CG1 3.41Å; K327-I331 PolarHBondContact O-N 3Å; N328-I331 PolarHBondContact O-N 3.05Å |
| 332 | Y | 96.6 | Very high | 96.1 | Very high | 38 Ų | 38 | 67.7 Ų | 67.7 | 15% | 0.149 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -110.2 | -7.5 | -171.8 | -53.2 | -48 | 0 | 0 | 0 | 114 | K320 Y321 Y323 N328 Q334 P337 P338 | K320-Y332 HydrophobicContact CB-CE1 4.3Å; K320-Y332 WeakPolarHBondContact CB-OH 3.45Å; K320-Y332 HydrophobicContact CD-CE1 3.8Å; Y321-Y332 WeakPolarHBondContact O-CE2 3.26Å; Y321-Y332 PolarHBondContact O-OH 3.01Å; Y321-Y332 VanDerWaalsContact O-OH 3.04Å; Y323-Y332 AromaticContact CD2-CE2 3.96Å; Y323-Y332 HydrophobicContact CD2-CE2 3.96Å; Y323-Y332 HydrophobicContact CE2-CE2 4.34Å; Y323-Y332 AromaticContact CE2-CZ 3.93Å; Y323-Y332 VanDerWaalsContact CE2-OH 3.27Å; Y323-Y332 WeakPolarHBondContact CE2-OH 3.5Å; N328-Y332 HydrophobicContact CB-CD2 4.13Å; N328-Y332 WeakPolarHBondContact O-CA 3.38Å; N328-Y332 WeakPolarHBondContact O-CB 3.29Å; N328-Y332 PolarHBondContact O-N 3.06Å; Y332-Q334 PolarHBondContact O-N 2.59Å; Y332-P337 HydrophobicContact CD2-CB 4.45Å; Y332-P337 HydrophobicContact CE2-CB 3.99Å; Y332-P338 HydrophobicContact CD1-CG 4.16Å; Y332-P338 HydrophobicContact CE1-CG 4.5Å; Y332-P338 HydrophobicContact CG-CG 4.32Å |
| 333 | N | 97.4 | Very high | 96 | Very high | 149 Ų | 149 | 67.4 Ų | 67.4 | 80% | 0.797 | 35% | 0.348 | S | S | * | . | S | Bend | trans | 57.8 | 25.5 | -171.6 | -163.3 | 39.8 | 0 | 0 | 0 | 113.3 | N328 L329 | N328-N333 PolarHBondContact O-N 3.16Å; L329-N333 VanDerWaalsContact O-CA 3.27Å; L329-N333 WeakPolarHBondContact O-CA 3.26Å; L329-N333 PolarHBondContact O-N 3.04Å |
| 334 | Q | 97.3 | Very high | 95.7 | Very high | 58 Ų | 58 | 71.2 Ų | 71.2 | 27% | 0.271 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -150 | 157.9 | 175 | 51.2 | 176.2 | 70.3 | 0 | 0 | 110.2 | N328 L329 Y332 Y336 | N328-Q334 CarbonylContact C-O 3.5Å; N328-Q334 WeakPolarHBondContact CB-O 3.3Å; N328-Q334 VanDerWaalsContact O-O 3.09Å; L329-Q334 PolarHBondContact N-O 2.91Å; Y332-Q334 PolarHBondContact O-N 2.59Å; Q334-Y336 VanDerWaalsContact C-N 3.33Å; Q334-Y336 VanDerWaalsContact CG-O 3.29Å; Q334-Y336 WeakPolarHBondContact CG-O 3.4Å; Q334-Y336 VanDerWaalsContact NE2-CD2 3.33Å; Q334-Y336 PolarHBondContact NE2-O 3.15Å; Q334-Y336 PolarHBondContact O-N 3.47Å |
| 335 | S | 96.4 | Very high | 95.8 | Very high | 57 Ų | 57 | 70.3 Ų | 70.3 | 40% | 0.399 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -76.8 | -16.8 | -173.2 | 50.7 | 0 | 0 | 0 | 0 | 114.9 | L325 N328 | L325-S335 VanDerWaalsContact CD1-CB 3.41Å; N328-S335 PolarHBondContact ND2-O 3.4Å |
| 336 | Y | 95.6 | Very high | 95.8 | Very high | 141 Ų | 141 | 73.7 Ų | 73.7 | 55% | 0.553 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -122.7 | 151.4 | -179.5 | 53.2 | -86.4 | 0 | 0 | 0 | 109.7 | Q334 | Q334-Y336 VanDerWaalsContact C-N 3.33Å; Q334-Y336 VanDerWaalsContact CG-O 3.29Å; Q334-Y336 WeakPolarHBondContact CG-O 3.4Å; Q334-Y336 VanDerWaalsContact NE2-CD2 3.33Å; Q334-Y336 PolarHBondContact NE2-O 3.15Å; Q334-Y336 PolarHBondContact O-N 3.47Å |
| 337 | P | 96.9 | Very high | 95.8 | Very high | 5 Ų | 5 | 68 Ų | 68 | 3% | 0.032 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 141 | 176.6 | 27.6 | -36.2 | 0 | 0 | 0 | 111.4 | Q319 K320 D322 Y332 | Q319-P337 HydrophobicContact CG-CG 4.46Å; K320-P337 HydrophobicContact CB-CB 4.22Å; K320-P337 WeakPolarHBondContact O-CB 3.37Å; K320-P337 WeakPolarHBondContact O-CG 3.22Å; D322-P337 HydrophobicContact CB-CG 3.97Å; Y332-P337 HydrophobicContact CD2-CB 4.45Å; Y332-P337 HydrophobicContact CE2-CB 3.99Å |
| 338 | P | 97.7 | Very high | 95.9 | Very high | 30 Ų | 30 | 66.7 Ų | 66.7 | 20% | 0.195 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 151.4 | 175.8 | 28.8 | -34.5 | 0 | 0 | 0 | 111.4 | Q319 K320 Y332 | Q319-P338 WeakPolarHBondContact CA-O 3.41Å; K320-P338 HydrophobicContact CB-CG 4.34Å; K320-P338 HydrophobicContact CD-CG 3.7Å; K320-P338 HydrophobicContact CG-CG 3.97Å; K320-P338 PolarHBondContact N-O 2.58Å; Y332-P338 HydrophobicContact CD1-CG 4.16Å; Y332-P338 HydrophobicContact CE1-CG 4.5Å; Y332-P338 HydrophobicContact CG-CG 4.32Å |
| 339 | L | 97.6 | Very high | 95.9 | Very high | 105 Ų | 105 | 66.7 Ų | 66.7 | 55% | 0.55 | 34% | 0.336 | S | S | . | . | B | Isolated β-bridge | trans | -81.8 | 146.4 | 173.3 | -56.7 | -177.7 | 0 | 0 | 0 | 110.2 | R317 Q319 | R317-L339 HydrophobicContact CB-CD2 4.21Å; R317-L339 HydrophobicContact CG-CD2 4.43Å; Q319-L339 HydrophobicContact CB-CD2 3.61Å |
| 340 | Y | 97.4 | Very high | 96 | Very high | 9 Ų | 9 | 62.6 Ų | 62.6 | 4% | 0.035 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 133.4 | 164.7 | -75.4 | -76.3 | 0 | 0 | 0 | 109.8 | W155 D156 A193 D196 E197 F318 K320 I342 | W155-Y340 AromaticContact CH2-CD2 3.92Å; W155-Y340 HydrophobicContact CH2-CD2 3.92Å; W155-Y340 AromaticContact CH2-CE2 3.5Å; W155-Y340 HydrophobicContact CH2-CE2 3.5Å; W155-Y340 HydrophobicContact CZ3-CD2 4.03Å; W155-Y340 AromaticContact CZ3-CE2 3.39Å; W155-Y340 HydrophobicContact CZ3-CE2 3.39Å; D156-Y340 PolarHBondContact OD1-OH 3.47Å; A193-Y340 HydrophobicContact CB-CD1 4.06Å; A193-Y340 HydrophobicContact CB-CE1 3.56Å; A193-Y340 HydrophobicContact CB-CE2 4.21Å; D196-Y340 HydrophobicContact CB-CD1 4.3Å; D196-Y340 WeakPolarHBondContact OD2-CA 3.4Å; D196-Y340 WeakPolarHBondContact OD2-CD1 3.37Å; E197-Y340 HydrophobicContact CG-CD1 4.35Å; E197-Y340 HydrophobicContact CG-CE1 3.91Å; F318-Y340 VanDerWaalsContact CD1-CB 3.46Å; F318-Y340 HydrophobicContact CD1-CD2 4.25Å; F318-Y340 HydrophobicContact CD1-CG 4.15Å; F318-Y340 VanDerWaalsContact CE1-CB 3.49Å; F318-Y340 HydrophobicContact CE1-CD2 4.03Å; F318-Y340 AromaticContact CE1-CG 3.83Å; F318-Y340 HydrophobicContact CE1-CG 3.83Å; F318-Y340 HydrophobicContact CE2-CD2 4.37Å; F318-Y340 HydrophobicContact CZ-CD2 4.09Å; F318-Y340 HydrophobicContact CZ-CG 4.26Å; F318-Y340 PolarHBondContact O-N 3.07Å; F318-Y340 VanDerWaalsContact O-N 3.09Å; K320-Y340 HydrophobicContact CG-CE2 3.76Å; Y340-I342 PolarHBondContact O-N 3.48Å |
| 341 | N | 94.8 | Very high | 96.1 | Very high | 70 Ų | 70 | 55.7 Ų | 55.7 | 37% | 0.374 | 28% | 0.282 | S | S | . | . | trans | -103.2 | 61.2 | -176.4 | -172 | 15.2 | 0 | 0 | 0 | 113.1 | D196 S343 H344 | D196-N341 VanDerWaalsContact CG-N 3.33Å; D196-N341 WeakPolarHBondContact OD1-CA 3.47Å; D196-N341 PolarHBondContact OD1-N 3.3Å; D196-N341 PolarHBondContact OD2-N 3.39Å; N341-S343 PolarHBondContact O-N 3.07Å; N341-S343 PolarHBondContact OD1-OG 2.91Å; N341-H344 PolarHBondContact ND2-CE1 3.2Å; N341-H344 VanDerWaalsContact ND2-CE1 3.25Å; N341-H344 PolarHBondContact ND2-ND1 3.07Å; N341-H344 PolarHBondContact O-N 3.42Å | ||
| 342 | I | 95.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -62.6 | -8.8 | -177.6 | 60.6 | 176.7 | 0 | 0 | 0 | 114.9 | L192 F318 Y340 H344 L345 L368 Q371 I372 | L192-I342 HydrophobicContact CB-CG2 4.23Å; L192-I342 HydrophobicContact CD2-CG2 4.48Å; F318-I342 HydrophobicContact CD1-CD1 4.15Å; F318-I342 HydrophobicContact CD1-CG2 3.85Å; F318-I342 HydrophobicContact CE1-CG2 3.58Å; Y340-I342 PolarHBondContact O-N 3.48Å; I342-H344 PolarHBondContact O-N 3.08Å; I342-L345 HydrophobicContact CB-CD1 3.97Å; I342-L345 HydrophobicContact CB-CG 4.36Å; I342-L345 HydrophobicContact CG2-CD1 4.32Å; I342-L345 VanDerWaalsContact O-CG 3.27Å; I342-L345 WeakPolarHBondContact O-CG 3.49Å; I342-L345 PolarHBondContact O-N 3.4Å; I342-L368 HydrophobicContact CD1-CD1 3.49Å; I342-L368 VanDerWaalsContact CD1-CD1 3.49Å; I342-Q371 HydrophobicContact CD1-CB 4.22Å; I342-Q371 HydrophobicContact CG1-CB 4.22Å; I342-I372 HydrophobicContact CB-CG2 3.85Å; I342-I372 HydrophobicContact CD1-CG2 3.73Å; I342-I372 HydrophobicContact CG1-CG2 3.71Å; I342-I372 WeakPolarHBondContact O-CG2 3.34Å |
| 343 | S | 93.6 | Very high | 96.3 | Very high | 53 Ų | 53 | 50.7 Ų | 50.7 | 37% | 0.371 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -64.2 | -17.6 | 176.6 | 72.7 | 0 | 0 | 0 | 0 | 113.9 | N341 Q371 | N341-S343 PolarHBondContact O-N 3.07Å; N341-S343 PolarHBondContact OD1-OG 2.91Å; S343-Q371 WeakPolarHBondContact CA-O 3.27Å |
| 344 | H | 87.9 | Confident | 96.3 | Very high | 127 Ų | 127 | 43.6 Ų | 43.6 | 59% | 0.588 | 22% | 0.22 | S | C | * | . | G | 310 helix | trans | -100.6 | 6 | -178.6 | -64.8 | 178.4 | 0 | 0 | 0 | 114.2 | N341 I342 | N341-H344 PolarHBondContact ND2-CE1 3.2Å; N341-H344 VanDerWaalsContact ND2-CE1 3.25Å; N341-H344 PolarHBondContact ND2-ND1 3.07Å; N341-H344 PolarHBondContact O-N 3.42Å; I342-H344 PolarHBondContact O-N 3.08Å |
| 345 | L | 95.1 | Very high | 96.2 | Very high | 10 Ų | 10 | 41.2 Ų | 41.2 | 5% | 0.052 | 21% | 0.211 | C | C | . | . | trans | -55.7 | 147.6 | 171.4 | -67.3 | 177.4 | 0 | 0 | 0 | 109.9 | L192 F195 I342 L347 I349 I372 T375 | L192-L345 HydrophobicContact CD2-CD1 3.65Å; F195-L345 HydrophobicContact CB-CD2 3.55Å; I342-L345 HydrophobicContact CB-CD1 3.97Å; I342-L345 HydrophobicContact CB-CG 4.36Å; I342-L345 HydrophobicContact CG2-CD1 4.32Å; I342-L345 VanDerWaalsContact O-CG 3.27Å; I342-L345 WeakPolarHBondContact O-CG 3.49Å; I342-L345 PolarHBondContact O-N 3.4Å; L345-L347 HydrophobicContact CB-CD2 3.85Å; L345-L347 HydrophobicContact CD1-CD2 4.39Å; L345-L347 HydrophobicContact CD2-CD2 4.06Å; L345-L347 HydrophobicContact CG-CD2 4.32Å; L345-I349 HydrophobicContact CD1-CD1 4.15Å; L345-I372 HydrophobicContact CD1-CG2 4.29Å; L345-T375 HydrophobicContact CB-CG2 4.15Å; L345-T375 WeakPolarHBondContact O-CG2 3.32Å | ||
| 346 | K | 94 | Very high | 96.2 | Very high | 182 Ų | 182 | 43.3 Ų | 43.3 | 79% | 0.791 | 21% | 0.214 | S | C | * | . | trans | -129.2 | -9.4 | -176.9 | -57.8 | -178.6 | -178.5 | 175 | 0 | 113.6 | ||||
| 347 | L | 95.6 | Very high | 96.3 | Very high | 6 Ų | 6 | 36.6 Ų | 36.6 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -75.8 | 151.1 | 176.5 | 75.3 | 172.8 | 0 | 0 | 0 | 112 | F195 Q202 I205 F208 L345 I349 T375 | F195-L347 HydrophobicContact CD2-CD1 3.41Å; F195-L347 VanDerWaalsContact CD2-CD1 3.41Å; F195-L347 HydrophobicContact CD2-CD2 4.3Å; F195-L347 HydrophobicContact CE2-CD1 3.48Å; F195-L347 VanDerWaalsContact CE2-CD1 3.48Å; F195-L347 HydrophobicContact CG-CD1 4.17Å; F195-L347 HydrophobicContact CZ-CD1 4.3Å; Q202-L347 HydrophobicContact CG-CB 4.1Å; Q202-L347 HydrophobicContact CG-CD1 4.36Å; Q202-L347 HydrophobicContact CG-CD2 3.9Å; Q202-L347 HydrophobicContact CG-CG 4.33Å; I205-L347 HydrophobicContact CB-CD1 3.91Å; I205-L347 HydrophobicContact CG1-CD1 4.34Å; I205-L347 HydrophobicContact CG2-CD1 3.77Å; F208-L347 HydrophobicContact CB-CD1 3.78Å; F208-L347 HydrophobicContact CB-CG 4.43Å; F208-L347 HydrophobicContact CD1-CD1 4.38Å; L345-L347 HydrophobicContact CB-CD2 3.85Å; L345-L347 HydrophobicContact CD1-CD2 4.39Å; L345-L347 HydrophobicContact CD2-CD2 4.06Å; L345-L347 HydrophobicContact CG-CD2 4.32Å; L347-I349 HydrophobicContact CD2-CD1 4.12Å; L347-I349 HydrophobicContact CD2-CG1 4.26Å; L347-I349 HydrophobicContact CG-CG1 4.15Å; L347-T375 VanDerWaalsContact O-CB 3.22Å; L347-T375 WeakPolarHBondContact O-CB 3.32Å; L347-T375 WeakPolarHBondContact O-CG2 3.4Å |
| 348 | P | 97.1 | Very high | 96.2 | Very high | 46 Ų | 46 | 39.3 Ų | 39.3 | 30% | 0.299 | 20% | 0.197 | S | C | . | . | trans | -70.7 | 129.4 | 175.9 | -15.3 | 31.4 | 0 | 0 | 0 | 111.2 | D206 L207 F208 | D206-P348 WeakPolarHBondContact O-CD 3.49Å; D206-P348 WeakPolarHBondContact O-CG 3.49Å; L207-P348 HydrophobicContact CD1-CB 4.18Å; F208-P348 PolarHBondContact N-O 3.03Å | ||
| 349 | I | 98.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 135 | -179.4 | -52.4 | 179.7 | 0 | 0 | 0 | 110.7 | F208 A210 L345 L347 I351 I372 T375 I376 R377 | F208-I349 HydrophobicContact CB-CG1 4.27Å; F208-I349 HydrophobicContact CD1-CD1 3.96Å; F208-I349 HydrophobicContact CD1-CG1 3.89Å; F208-I349 HydrophobicContact CD1-CG2 3.98Å; F208-I349 HydrophobicContact CE1-CD1 4.47Å; F208-I349 HydrophobicContact CE1-CG2 4.39Å; F208-I349 HydrophobicContact CG-CG1 4.48Å; F208-I349 HydrophobicContact CG-CG2 4.39Å; F208-I349 CarbonylContact O-C 3.49Å; F208-I349 VanDerWaalsContact O-CA 3.29Å; F208-I349 WeakPolarHBondContact O-CA 3.27Å; A210-I349 HydrophobicContact CB-CG2 4.5Å; L345-I349 HydrophobicContact CD1-CD1 4.15Å; L347-I349 HydrophobicContact CD2-CD1 4.12Å; L347-I349 HydrophobicContact CD2-CG1 4.26Å; L347-I349 HydrophobicContact CG-CG1 4.15Å; I349-I351 HydrophobicContact CG2-CG1 3.99Å; I349-I372 HydrophobicContact CD1-CD1 3.97Å; I349-T375 PolarHBondContact N-O 2.75Å; I349-I376 CarbonylContact O-C 3.06Å; I349-I376 WeakPolarHBondContact O-CA 3.39Å; I349-R377 PolarHBondContact O-N 3Å |
| 350 | I | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 127.8 | 168.5 | -60.8 | 178.9 | 0 | 0 | 0 | 108.8 | L207 F208 A210 Y352 R377 S378 Q407 | L207-I350 HydrophobicContact CD1-CD1 3.93Å; L207-I350 HydrophobicContact CD1-CG1 4Å; L207-I350 HydrophobicContact CD2-CD1 4.41Å; F208-I350 PolarHBondContact O-N 3.26Å; A210-I350 PolarHBondContact N-O 3.23Å; I350-Y352 HydrophobicContact CB-CE2 4.35Å; I350-Y352 HydrophobicContact CG2-CD2 4.02Å; I350-Y352 HydrophobicContact CG2-CE2 3.38Å; I350-R377 HydrophobicContact CG1-CB 4.05Å; I350-R377 HydrophobicContact CG1-CG 4.49Å; I350-S378 WeakPolarHBondContact CA-O 3.35Å; I350-S378 WeakPolarHBondContact CG2-OG 3.27Å; I350-Q407 HydrophobicContact CD1-CB 3.7Å; I350-Q407 HydrophobicContact CD1-CG 3.45Å; I350-Q407 VanDerWaalsContact CD1-CG 3.45Å |
| 351 | I | 98.7 | Very high | 96.2 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 126.3 | -176.7 | -58.9 | 175 | 0 | 0 | 0 | 110.3 | A210 P213 I349 Y353 I365 I369 I372 I376 S378 T379 H380 | A210-I351 HydrophobicContact CB-CG1 4.29Å; P213-I351 HydrophobicContact CG-CG2 3.88Å; I349-I351 HydrophobicContact CG2-CG1 3.99Å; I351-Y353 HydrophobicContact CG2-CD1 4.03Å; I351-I365 HydrophobicContact CG2-CG2 4.39Å; I351-I369 HydrophobicContact CD1-CG1 3.86Å; I351-I372 HydrophobicContact CD1-CD1 4.27Å; I351-I376 HydrophobicContact CD1-CD1 3.8Å; I351-I376 HydrophobicContact CD1-CG1 4.22Å; I351-S378 PolarHBondContact N-O 2.95Å; I351-S378 VanDerWaalsContact N-O 3.13Å; I351-T379 HydrophobicContact CB-CG2 4.33Å; I351-T379 CarbonylContact O-C 3.51Å; I351-T379 VanDerWaalsContact O-CA 3.29Å; I351-T379 WeakPolarHBondContact O-CA 2.89Å; I351-H380 PolarHBondContact O-N 2.73Å |
| 352 | Y | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 126.3 | 169.6 | -64.6 | -95 | 0 | 0 | 0 | 108.7 | I209 A210 L211 A212 I350 H380 F382 L400 L403 I404 | I209-Y352 HydrophobicContact CG2-CD2 3.82Å; I209-Y352 HydrophobicContact CG2-CE2 3.7Å; A210-Y352 PolarHBondContact O-N 2.83Å; L211-Y352 HydrophobicContact CD2-CD2 3.71Å; L211-Y352 HydrophobicContact CD2-CG 3.96Å; A212-Y352 PolarHBondContact N-O 2.9Å; I350-Y352 HydrophobicContact CB-CE2 4.35Å; I350-Y352 HydrophobicContact CG2-CD2 4.02Å; I350-Y352 HydrophobicContact CG2-CE2 3.38Å; Y352-H380 WeakPolarHBondContact CA-O 3.31Å; Y352-H380 HydrophobicContact CD1-CB 3.45Å; Y352-H380 VanDerWaalsContact CD1-CB 3.45Å; Y352-H380 AromaticContact CD1-CG 3.91Å; Y352-H380 HydrophobicContact CE1-CB 3.59Å; Y352-H380 AromaticContact CE1-CD2 3.55Å; Y352-H380 AromaticContact CE1-CG 3.51Å; Y352-H380 HydrophobicContact CG-CB 4.25Å; Y352-H380 AromaticContact CZ-CD2 3.68Å; Y352-F382 AromaticContact CD1-CE2 3.81Å; Y352-F382 HydrophobicContact CD1-CE2 3.81Å; Y352-F382 HydrophobicContact CE1-CE2 4.45Å; Y352-L400 HydrophobicContact CD1-CD1 3.18Å; Y352-L400 HydrophobicContact CD2-CD1 4.42Å; Y352-L400 HydrophobicContact CE1-CD1 3.59Å; Y352-L400 HydrophobicContact CG-CD1 3.68Å; Y352-L403 HydrophobicContact CE1-CB 4.17Å; Y352-L403 HydrophobicContact CE1-CD1 4.15Å; Y352-I404 HydrophobicContact CE2-CG1 4.29Å |
| 353 | Y | 98.5 | Very high | 96.3 | Very high | 14 Ų | 14 | 44.4 Ų | 44.4 | 6% | 0.055 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 152.1 | -174.4 | 67.2 | -75.5 | 0 | 0 | 0 | 113.5 | I351 Y362 I365 H366 H380 Y381 F382 F390 | I351-Y353 HydrophobicContact CG2-CD1 4.03Å; Y353-Y362 AromaticContact CE2-CD2 3.98Å; Y353-Y362 HydrophobicContact CE2-CD2 3.98Å; Y353-Y362 HydrophobicContact CE2-CE2 4.2Å; Y353-I365 HydrophobicContact CD1-CG2 4.02Å; Y353-I365 HydrophobicContact CD2-CB 4.18Å; Y353-I365 HydrophobicContact CD2-CG1 4.28Å; Y353-I365 HydrophobicContact CD2-CG2 3.72Å; Y353-I365 HydrophobicContact CE1-CG2 4.37Å; Y353-I365 HydrophobicContact CE2-CG2 4.08Å; Y353-I365 HydrophobicContact CG-CB 4.43Å; Y353-I365 HydrophobicContact CG-CG1 4.33Å; Y353-I365 HydrophobicContact CG-CG2 3.68Å; Y353-H366 AromaticContact CE2-CE1 3.89Å; Y353-H366 PolarHBondContact OH-CE1 3.43Å; Y353-H380 WeakPolarHBondContact CD1-O 3.39Å; Y353-H380 PolarHBondContact N-O 3.22Å; Y353-Y381 AromaticContact CD2-CD2 3.58Å; Y353-Y381 HydrophobicContact CD2-CD2 3.58Å; Y353-Y381 HydrophobicContact CD2-CE2 4.13Å; Y353-Y381 HydrophobicContact CE1-CD2 4.5Å; Y353-Y381 AromaticContact CE2-CD2 3.3Å; Y353-Y381 HydrophobicContact CE2-CD2 3.3Å; Y353-Y381 AromaticContact CE2-CE2 3.94Å; Y353-Y381 HydrophobicContact CE2-CE2 3.94Å; Y353-Y381 HydrophobicContact CE2-CG 4.02Å; Y353-Y381 HydrophobicContact CG-CD2 4.31Å; Y353-Y381 AromaticContact CZ-CD2 3.82Å; Y353-Y381 WeakPolarHBondContact O-CA 3.39Å; Y353-Y381 WeakPolarHBondContact O-CD2 3.37Å; Y353-F382 PolarHBondContact O-N 3.09Å; Y353-F390 VanDerWaalsContact C-CZ 3.47Å |
| 354 | G | 97.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 145.9 | -166.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | F382 Y385 | G354-F382 CarbonylContact C-O 3.57Å; G354-F382 VanDerWaalsContact CA-O 3.3Å; G354-F382 WeakPolarHBondContact CA-O 3.48Å; G354-Y385 CarbonylContact C-O 3.47Å; G354-Y385 WeakPolarHBondContact CA-O 3.44Å |
| 355 | G | 96.1 | Very high | 97 | Very high | 8 Ų | 8 | 36 Ų | 36 | 8% | 0.082 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -78.1 | -31.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | K221 D357 Y381 F382 P383 Y385 | K221-G355 PolarHBondContact NZ-O 3.38Å; G355-D357 VanDerWaalsContact C-N 3.35Å; G355-Y381 WeakPolarHBondContact CA-OH 3.25Å; G355-F382 PolarHBondContact N-O 3.47Å; G355-P383 CarbonylContact C-O 3.53Å; G355-P383 VanDerWaalsContact CA-O 3.23Å; G355-P383 WeakPolarHBondContact CA-O 3.41Å; G355-Y385 PolarHBondContact N-O 3.29Å |
| 356 | Q | 96.1 | Very high | 97.1 | Very high | 100 Ų | 100 | 38.5 Ų | 38.5 | 47% | 0.467 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -93 | 6.3 | 177.1 | -54.1 | -50.6 | -42.7 | 0 | 0 | 113 | W358 P383 D384 Y385 N386 | Q356-W358 PolarHBondContact O-N 3.1Å; Q356-P383 PolarHBondContact N-O 3.18Å; Q356-P383 PolarHBondContact NE2-O 3.34Å; Q356-D384 WeakPolarHBondContact CG-O 3.31Å; Q356-Y385 CarbonylContact C-O 3.31Å; Q356-Y385 WeakPolarHBondContact CA-O 3.48Å; Q356-Y385 WeakPolarHBondContact CB-O 3.07Å; Q356-Y385 PolarHBondContact N-O 3.27Å; Q356-N386 HydrophobicContact CB-CB 4.42Å |
| 357 | D | 97.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -63.3 | 131.7 | 178.5 | -162.3 | -38.6 | 0 | 0 | 0 | 111.4 | A212 K221 G355 L359 A360 Y385 H387 | A212-D357 WeakPolarHBondContact CB-OD2 3.4Å; K221-D357 PolarHBondContact NZ-O 3.08Å; G355-D357 VanDerWaalsContact C-N 3.35Å; D357-L359 PolarHBondContact OD1-N 3.17Å; D357-A360 PolarHBondContact OD1-N 3.02Å; D357-A360 WeakPolarHBondContact OD2-CB 3.37Å; D357-Y385 PolarHBondContact N-O 2.87Å; D357-H387 VanDerWaalsContact CG-ND1 3.35Å; D357-H387 WeakPolarHBondContact OD1-CB 3.47Å; D357-H387 IonicContact OD1-CG 2.67Å; D357-H387 IonicContact OD1-ND1 2.81Å; D357-H387 PolarHBondContact OD1-ND1 2.93Å; D357-H387 VanDerWaalsContact OD1-ND1 3.07Å; D357-H387 WeakPolarHBondContact OD2-CA 3.42Å; D357-H387 IonicContact OD2-CE1 3.11Å; D357-H387 IonicContact OD2-CG 2.72Å; D357-H387 IonicContact OD2-ND1 2.69Å; D357-H387 PolarHBondContact OD2-ND1 2.93Å | ||
| 358 | W | 95.4 | Very high | 97.4 | Very high | 62 Ų | 62 | 32.7 Ų | 32.7 | 24% | 0.235 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -94 | -22.4 | 179.1 | -76 | 20.6 | 0 | 0 | 0 | 113.8 | I220 K221 S222 P223 L260 Q356 | I220-W358 WeakPolarHBondContact CB-O 3.37Å; K221-W358 HydrophobicContact CB-CB 4.22Å; K221-W358 HydrophobicContact CB-CG 4.04Å; K221-W358 PolarHBondContact N-O 3.35Å; S222-W358 PolarHBondContact N-O 2.94Å; S222-W358 VanDerWaalsContact N-O 3.16Å; P223-W358 HydrophobicContact CG-CZ3 4.33Å; L260-W358 HydrophobicContact CD1-CH2 3.54Å; L260-W358 HydrophobicContact CD1-CZ2 4.34Å; L260-W358 HydrophobicContact CD1-CZ3 4.03Å; Q356-W358 PolarHBondContact O-N 3.1Å |
| 359 | L | 96.9 | Very high | 97.4 | Very high | 20 Ų | 20 | 31.7 Ų | 31.7 | 11% | 0.105 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -106.6 | -49.2 | -175.2 | -67.2 | 175 | 0 | 0 | 0 | 111.1 | I220 A278 D357 S361 | I220-L359 WeakPolarHBondContact CG2-O 3.43Å; A278-L359 HydrophobicContact CB-CD1 3.95Å; D357-L359 PolarHBondContact OD1-N 3.17Å; L359-S361 PolarHBondContact O-N 2.93Å |
| 360 | A | 97.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.008 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -97 | 69.2 | 175 | 0 | 0 | 0 | 0 | 0 | 109.9 | A212 D357 I365 | A212-A360 HydrophobicContact CB-CB 4.1Å; A212-A360 WeakPolarHBondContact O-CB 3.4Å; D357-A360 PolarHBondContact OD1-N 3.02Å; D357-A360 WeakPolarHBondContact OD2-CB 3.37Å; A360-I365 HydrophobicContact CB-CD1 4.06Å; A360-I365 HydrophobicContact CB-CG1 4.4Å |
| 361 | S | 96.8 | Very high | 97.1 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 3% | 0.028 | 19% | 0.189 | C | C | . | . | trans | -62.5 | 152.4 | -171.9 | 88.6 | 0 | 0 | 0 | 0 | 112.4 | S219 L359 R363 D364 I365 | S219-S361 WeakPolarHBondContact CB-OG 3.29Å; S219-S361 WeakPolarHBondContact O-CB 3.32Å; S219-S361 PolarHBondContact O-OG 3.22Å; L359-S361 PolarHBondContact O-N 2.93Å; S361-R363 PolarHBondContact O-N 3.45Å; S361-R363 VanDerWaalsContact O-N 3.08Å; S361-R363 PolarHBondContact OG-N 2.81Å; S361-D364 WeakPolarHBondContact CB-OD2 3.38Å; S361-D364 PolarHBondContact O-N 3.34Å; S361-D364 VanDerWaalsContact OG-CG 3.22Å; S361-D364 PolarHBondContact OG-N 3.41Å; S361-D364 PolarHBondContact OG-OD2 3.5Å; S361-I365 WeakPolarHBondContact O-CG1 3.29Å; S361-I365 PolarHBondContact O-N 3.22Å | ||
| 362 | Y | 96.5 | Very high | 96.9 | Very high | 110 Ų | 110 | 43.8 Ų | 43.8 | 43% | 0.431 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -48.3 | -41.4 | 176 | -179 | -84.7 | 0 | 0 | 0 | 113 | Y353 H366 Y381 | Y353-Y362 AromaticContact CE2-CD2 3.98Å; Y353-Y362 HydrophobicContact CE2-CD2 3.98Å; Y353-Y362 HydrophobicContact CE2-CE2 4.2Å; Y362-H366 AromaticContact CD1-CE1 4Å; Y362-H366 AromaticContact CD1-ND1 3.68Å; Y362-H366 AromaticContact CD2-CE1 3.78Å; Y362-H366 AromaticContact CE1-CE1 3.45Å; Y362-H366 VanDerWaalsContact CE1-CE1 3.45Å; Y362-H366 WeakPolarHBondContact CE1-CE1 3.36Å; Y362-H366 AromaticContact CE1-CG 3.99Å; Y362-H366 AromaticContact CE1-ND1 3.46Å; Y362-H366 WeakPolarHBondContact CE1-ND1 3.38Å; Y362-H366 AromaticContact CE1-NE2 3.91Å; Y362-H366 AromaticContact CE2-CE1 3.23Å; Y362-H366 WeakPolarHBondContact CE2-CE1 3.16Å; Y362-H366 AromaticContact CE2-ND1 3.86Å; Y362-H366 AromaticContact CG-ND1 3.94Å; Y362-H366 AromaticContact CZ-CE1 3.03Å; Y362-H366 AromaticContact CZ-ND1 3.57Å; Y362-H366 AromaticContact CZ-NE2 3.46Å; Y362-H366 PolarHBondContact O-N 3.44Å; Y362-H366 PolarHBondContact O-ND1 3.19Å; Y362-H366 PolarHBondContact OH-CE1 3.39Å; Y362-H366 VanDerWaalsContact OH-CE1 3.28Å; Y362-H366 PolarHBondContact OH-NE2 3.22Å; Y362-Y381 AromaticContact CD2-CE2 3.98Å; Y362-Y381 HydrophobicContact CD2-CE2 3.98Å; Y362-Y381 HydrophobicContact CE2-CE2 4.42Å |
| 363 | R | 97.4 | Very high | 96.4 | Very high | 186 Ų | 186 | 48.1 Ų | 48.1 | 70% | 0.702 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -68.9 | -43.4 | -179.6 | -72 | -177.3 | 177.9 | 172.3 | -0.6 | 111.8 | S361 H366 K367 | S361-R363 PolarHBondContact O-N 3.45Å; S361-R363 VanDerWaalsContact O-N 3.08Å; S361-R363 PolarHBondContact OG-N 2.81Å; R363-H366 PolarHBondContact O-N 2.97Å; R363-K367 PolarHBondContact O-N 2.7Å |
| 364 | D | 98.1 | Very high | 95.9 | Very high | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.9 | -40.4 | 179.5 | -64.4 | -42.7 | 0 | 0 | 0 | 111.1 | Y216 G218 S219 I220 S361 K367 L368 | Y216-D364 VanDerWaalsContact O-CB 3.26Å; Y216-D364 WeakPolarHBondContact O-CB 3.2Å; G218-D364 PolarHBondContact N-OD1 3.16Å; S219-D364 VanDerWaalsContact C-OD2 3.28Å; S219-D364 WeakPolarHBondContact CA-OD2 3.47Å; S219-D364 WeakPolarHBondContact CB-OD1 3.44Å; S219-D364 WeakPolarHBondContact CB-OD2 3.13Å; S219-D364 PolarHBondContact N-OD1 3.38Å; S219-D364 PolarHBondContact N-OD2 2.82Å; I220-D364 PolarHBondContact N-OD2 2.82Å; S361-D364 WeakPolarHBondContact CB-OD2 3.38Å; S361-D364 PolarHBondContact O-N 3.34Å; S361-D364 VanDerWaalsContact OG-CG 3.22Å; S361-D364 PolarHBondContact OG-N 3.41Å; S361-D364 PolarHBondContact OG-OD2 3.5Å; D364-K367 WeakPolarHBondContact O-CB 3.47Å; D364-K367 PolarHBondContact O-N 3.25Å; D364-L368 PolarHBondContact O-N 3.19Å |
| 365 | I | 98 | Very high | 95.6 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.3 | -45.3 | 173.3 | -65.9 | -67.4 | 0 | 0 | 0 | 111.5 | P213 I351 Y353 A360 S361 K367 L368 I369 | P213-I365 HydrophobicContact CG-CD1 3.5Å; P213-I365 VanDerWaalsContact CG-CD1 3.5Å; P213-I365 WeakPolarHBondContact O-CD1 3.39Å; I351-I365 HydrophobicContact CG2-CG2 4.39Å; Y353-I365 HydrophobicContact CD1-CG2 4.02Å; Y353-I365 HydrophobicContact CD2-CB 4.18Å; Y353-I365 HydrophobicContact CD2-CG1 4.28Å; Y353-I365 HydrophobicContact CD2-CG2 3.72Å; Y353-I365 HydrophobicContact CE1-CG2 4.37Å; Y353-I365 HydrophobicContact CE2-CG2 4.08Å; Y353-I365 HydrophobicContact CG-CB 4.43Å; Y353-I365 HydrophobicContact CG-CG1 4.33Å; Y353-I365 HydrophobicContact CG-CG2 3.68Å; A360-I365 HydrophobicContact CB-CD1 4.06Å; A360-I365 HydrophobicContact CB-CG1 4.4Å; S361-I365 WeakPolarHBondContact O-CG1 3.29Å; S361-I365 PolarHBondContact O-N 3.22Å; I365-K367 PolarHBondContact O-N 3.27Å; I365-L368 WeakPolarHBondContact O-CB 3.45Å; I365-L368 PolarHBondContact O-N 2.81Å; I365-L368 VanDerWaalsContact O-N 3.15Å; I365-I369 HydrophobicContact CG2-CD1 3.68Å; I365-I369 HydrophobicContact CG2-CG1 4.26Å; I365-I369 WeakPolarHBondContact O-CG1 3.36Å; I365-I369 PolarHBondContact O-N 3.41Å |
| 366 | H | 97.3 | Very high | 95.5 | Very high | 61 Ų | 61 | 59.6 Ų | 59.6 | 28% | 0.282 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66.3 | -29 | 178.5 | -81.1 | 69.8 | 0 | 0 | 0 | 112.7 | Y353 Y362 R363 K370 | Y353-H366 AromaticContact CE2-CE1 3.89Å; Y353-H366 PolarHBondContact OH-CE1 3.43Å; Y362-H366 AromaticContact CD1-CE1 4Å; Y362-H366 AromaticContact CD1-ND1 3.68Å; Y362-H366 AromaticContact CD2-CE1 3.78Å; Y362-H366 AromaticContact CE1-CE1 3.45Å; Y362-H366 VanDerWaalsContact CE1-CE1 3.45Å; Y362-H366 WeakPolarHBondContact CE1-CE1 3.36Å; Y362-H366 AromaticContact CE1-CG 3.99Å; Y362-H366 AromaticContact CE1-ND1 3.46Å; Y362-H366 WeakPolarHBondContact CE1-ND1 3.38Å; Y362-H366 AromaticContact CE1-NE2 3.91Å; Y362-H366 AromaticContact CE2-CE1 3.23Å; Y362-H366 WeakPolarHBondContact CE2-CE1 3.16Å; Y362-H366 AromaticContact CE2-ND1 3.86Å; Y362-H366 AromaticContact CG-ND1 3.94Å; Y362-H366 AromaticContact CZ-CE1 3.03Å; Y362-H366 AromaticContact CZ-ND1 3.57Å; Y362-H366 AromaticContact CZ-NE2 3.46Å; Y362-H366 PolarHBondContact O-N 3.44Å; Y362-H366 PolarHBondContact O-ND1 3.19Å; Y362-H366 PolarHBondContact OH-CE1 3.39Å; Y362-H366 VanDerWaalsContact OH-CE1 3.28Å; Y362-H366 PolarHBondContact OH-NE2 3.22Å; R363-H366 PolarHBondContact O-N 2.97Å; H366-K370 PolarHBondContact O-N 2.81Å; H366-K370 VanDerWaalsContact O-N 3.16Å |
| 367 | K | 96.8 | Very high | 95.5 | Very high | 63 Ų | 63 | 60.8 Ų | 60.8 | 27% | 0.274 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.7 | -44.1 | 171.6 | -172.6 | 176.4 | 174.3 | -174.2 | 0 | 111.1 | Y216 D316 R363 D364 I365 K370 Q371 | Y216-K367 HydrophobicContact CD1-CD 3.81Å; Y216-K367 HydrophobicContact CD1-CG 4.42Å; Y216-K367 HydrophobicContact CD2-CB 4.15Å; Y216-K367 HydrophobicContact CD2-CD 4.17Å; Y216-K367 HydrophobicContact CD2-CG 4.01Å; Y216-K367 HydrophobicContact CE1-CD 4.21Å; Y216-K367 HydrophobicContact CE2-CG 4.14Å; Y216-K367 HydrophobicContact CG-CB 4.48Å; Y216-K367 HydrophobicContact CG-CD 3.81Å; Y216-K367 HydrophobicContact CG-CG 4.18Å; D316-K367 PolarHBondContact O-NZ 3.24Å; D316-K367 IonicContact OD1-NZ 2.61Å; D316-K367 PolarHBondContact OD1-NZ 3.01Å; D316-K367 IonicContact OD2-NZ 3.45Å; D316-K367 PolarHBondContact OD2-NZ 3.34Å; R363-K367 PolarHBondContact O-N 2.7Å; D364-K367 WeakPolarHBondContact O-CB 3.47Å; D364-K367 PolarHBondContact O-N 3.25Å; I365-K367 PolarHBondContact O-N 3.27Å; K367-K370 PolarHBondContact O-N 3.12Å; K367-Q371 PolarHBondContact O-N 3.23Å |
| 368 | L | 97.4 | Very high | 95.5 | Very high | 3 Ų | 3 | 62.3 Ų | 62.3 | 2% | 0.016 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.1 | -51 | 172.9 | 177.7 | 61.4 | 0 | 0 | 0 | 111.8 | L192 P213 A215 Y216 I342 D364 I365 K370 Q371 I372 | L192-L368 HydrophobicContact CD1-CD1 3.98Å; L192-L368 HydrophobicContact CD1-CD2 4.22Å; P213-L368 HydrophobicContact CB-CD2 3.82Å; P213-L368 HydrophobicContact CG-CD2 3.75Å; A215-L368 HydrophobicContact CB-CD1 3.93Å; A215-L368 HydrophobicContact CB-CD2 4.1Å; A215-L368 HydrophobicContact CB-CG 4.48Å; Y216-L368 HydrophobicContact CD2-CB 4.07Å; Y216-L368 HydrophobicContact CE2-CB 4.17Å; Y216-L368 HydrophobicContact CE2-CD1 4.34Å; I342-L368 HydrophobicContact CD1-CD1 3.49Å; I342-L368 VanDerWaalsContact CD1-CD1 3.49Å; D364-L368 PolarHBondContact O-N 3.19Å; I365-L368 WeakPolarHBondContact O-CB 3.45Å; I365-L368 PolarHBondContact O-N 2.81Å; I365-L368 VanDerWaalsContact O-N 3.15Å; L368-K370 PolarHBondContact O-N 2.94Å; L368-Q371 PolarHBondContact O-N 2.7Å; L368-I372 HydrophobicContact CD1-CD1 3.87Å; L368-I372 HydrophobicContact CD1-CG1 4.48Å; L368-I372 HydrophobicContact CD1-CG2 4.37Å; L368-I372 HydrophobicContact CD2-CD1 4.47Å; L368-I372 HydrophobicContact CG-CD1 3.91Å; L368-I372 PolarHBondContact O-N 2.67Å; L368-I372 VanDerWaalsContact O-N 3.16Å |
| 369 | I | 97.1 | Very high | 95.6 | Very high | 26 Ų | 26 | 62.2 Ų | 62.2 | 13% | 0.133 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54.3 | -42.1 | 179.6 | -71.1 | 166.8 | 0 | 0 | 0 | 111.2 | I351 I365 Q371 I372 N373 I376 T379 | I351-I369 HydrophobicContact CD1-CG1 3.86Å; I365-I369 HydrophobicContact CG2-CD1 3.68Å; I365-I369 HydrophobicContact CG2-CG1 4.26Å; I365-I369 WeakPolarHBondContact O-CG1 3.36Å; I365-I369 PolarHBondContact O-N 3.41Å; I369-Q371 VanDerWaalsContact C-N 3.27Å; I369-Q371 PolarHBondContact O-N 3.39Å; I369-I372 PolarHBondContact O-N 3.16Å; I369-N373 VanDerWaalsContact O-CA 3.29Å; I369-N373 WeakPolarHBondContact O-CA 3.42Å; I369-N373 WeakPolarHBondContact O-CB 3.42Å; I369-N373 PolarHBondContact O-N 3.22Å; I369-I376 HydrophobicContact CB-CD1 3.96Å; I369-I376 HydrophobicContact CG1-CD1 3.86Å; I369-I376 HydrophobicContact CG2-CD1 3.78Å; I369-T379 HydrophobicContact CD1-CG2 3.99Å; I369-T379 HydrophobicContact CG1-CG2 4.38Å |
| 370 | K | 95.6 | Very high | 95.7 | Very high | 178 Ų | 178 | 63.5 Ų | 63.5 | 77% | 0.774 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -61.5 | -33.3 | 177.1 | -84.6 | -178.2 | 175.3 | -178.5 | 0 | 113.5 | H366 K367 L368 | H366-K370 PolarHBondContact O-N 2.81Å; H366-K370 VanDerWaalsContact O-N 3.16Å; K367-K370 PolarHBondContact O-N 3.12Å; L368-K370 PolarHBondContact O-N 2.94Å |
| 371 | Q | 94.7 | Very high | 95.7 | Very high | 72 Ų | 72 | 68.3 Ų | 68.3 | 34% | 0.336 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -79.1 | -35.1 | -179.2 | -66.4 | -150.2 | -4.7 | 0 | 0 | 113.2 | Y216 I342 S343 K367 L368 I369 | Y216-Q371 PolarHBondContact OH-NE2 2.84Å; Y216-Q371 PolarHBondContact OH-OE1 3.19Å; I342-Q371 HydrophobicContact CD1-CB 4.22Å; I342-Q371 HydrophobicContact CG1-CB 4.22Å; S343-Q371 WeakPolarHBondContact CA-O 3.27Å; K367-Q371 PolarHBondContact O-N 3.23Å; L368-Q371 PolarHBondContact O-N 2.7Å; I369-Q371 VanDerWaalsContact C-N 3.27Å; I369-Q371 PolarHBondContact O-N 3.39Å |
| 372 | I | 94.9 | Very high | 95.8 | Very high | 5 Ų | 5 | 69.4 Ų | 69.4 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -109.9 | 20.1 | -174.7 | 70.7 | -176.2 | 0 | 0 | 0 | 112.9 | L192 I342 L345 I349 I351 L368 I369 Y374 T375 I376 | L192-I372 HydrophobicContact CD2-CD1 4.41Å; I342-I372 HydrophobicContact CB-CG2 3.85Å; I342-I372 HydrophobicContact CD1-CG2 3.73Å; I342-I372 HydrophobicContact CG1-CG2 3.71Å; I342-I372 WeakPolarHBondContact O-CG2 3.34Å; L345-I372 HydrophobicContact CD1-CG2 4.29Å; I349-I372 HydrophobicContact CD1-CD1 3.97Å; I351-I372 HydrophobicContact CD1-CD1 4.27Å; L368-I372 HydrophobicContact CD1-CD1 3.87Å; L368-I372 HydrophobicContact CD1-CG1 4.48Å; L368-I372 HydrophobicContact CD1-CG2 4.37Å; L368-I372 HydrophobicContact CD2-CD1 4.47Å; L368-I372 HydrophobicContact CG-CD1 3.91Å; L368-I372 PolarHBondContact O-N 2.67Å; L368-I372 VanDerWaalsContact O-N 3.16Å; I369-I372 PolarHBondContact O-N 3.16Å; I372-Y374 PolarHBondContact O-N 3.08Å; I372-T375 PolarHBondContact O-N 3.23Å; I372-T375 PolarHBondContact O-OG1 3.36Å; I372-I376 HydrophobicContact CD1-CD1 4.39Å; I372-I376 HydrophobicContact CD1-CG1 4.44Å; I372-I376 HydrophobicContact CG1-CD1 3.73Å; I372-I376 HydrophobicContact CG1-CG1 3.93Å; I372-I376 PolarHBondContact O-N 3.43Å |
| 373 | N | 88.2 | Confident | 95.8 | Very high | 92 Ų | 92 | 67.4 Ų | 67.4 | 49% | 0.492 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -51.7 | -36.3 | -170.1 | -175.1 | 40.5 | 0 | 0 | 0 | 114 | I369 T375 I376 | I369-N373 VanDerWaalsContact O-CA 3.29Å; I369-N373 WeakPolarHBondContact O-CA 3.42Å; I369-N373 WeakPolarHBondContact O-CB 3.42Å; I369-N373 PolarHBondContact O-N 3.22Å; N373-T375 VanDerWaalsContact C-N 3.28Å; N373-T375 PolarHBondContact O-N 2.95Å; N373-I376 PolarHBondContact O-N 2.92Å |
| 374 | Y | 88.1 | Confident | 95.7 | Very high | 214 Ų | 214 | 64.4 Ų | 64.4 | 84% | 0.839 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -71.5 | -19.2 | -175.8 | -56 | -75 | 0 | 0 | 0 | 114.3 | I372 | I372-Y374 PolarHBondContact O-N 3.08Š|
| 375 | T | 91 | Very high | 95.7 | Very high | 19 Ų | 19 | 64.5 Ų | 64.5 | 12% | 0.117 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -99.8 | -11.7 | 177.4 | 48.1 | 0 | 0 | 0 | 0 | 113.9 | L345 L347 I349 I372 N373 R377 | L345-T375 HydrophobicContact CB-CG2 4.15Å; L345-T375 WeakPolarHBondContact O-CG2 3.32Å; L347-T375 VanDerWaalsContact O-CB 3.22Å; L347-T375 WeakPolarHBondContact O-CB 3.32Å; L347-T375 WeakPolarHBondContact O-CG2 3.4Å; I349-T375 PolarHBondContact N-O 2.75Å; I372-T375 PolarHBondContact O-N 3.23Å; I372-T375 PolarHBondContact O-OG1 3.36Å; N373-T375 VanDerWaalsContact C-N 3.28Å; N373-T375 PolarHBondContact O-N 2.95Å; T375-R377 PolarHBondContact O-N 3.35Å |
| 376 | I | 95.5 | Very high | 95.6 | Very high | 31 Ų | 31 | 64.8 Ų | 64.8 | 16% | 0.159 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 114.6 | -178 | -68.8 | 173.1 | 0 | 0 | 0 | 109.4 | I349 I351 I369 I372 N373 T379 | I349-I376 CarbonylContact O-C 3.06Å; I349-I376 WeakPolarHBondContact O-CA 3.39Å; I351-I376 HydrophobicContact CD1-CD1 3.8Å; I351-I376 HydrophobicContact CD1-CG1 4.22Å; I369-I376 HydrophobicContact CB-CD1 3.96Å; I369-I376 HydrophobicContact CG1-CD1 3.86Å; I369-I376 HydrophobicContact CG2-CD1 3.78Å; I372-I376 HydrophobicContact CD1-CD1 4.39Å; I372-I376 HydrophobicContact CD1-CG1 4.44Å; I372-I376 HydrophobicContact CG1-CD1 3.73Å; I372-I376 HydrophobicContact CG1-CG1 3.93Å; I372-I376 PolarHBondContact O-N 3.43Å; N373-I376 PolarHBondContact O-N 2.92Å; I376-T379 HydrophobicContact CG2-CG2 3.59Å |
| 377 | R | 96 | Very high | 95.6 | Very high | 125 Ų | 125 | 62 Ų | 62 | 47% | 0.472 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | -41.3 | 173.3 | -179.4 | 173.1 | 179.4 | 143.4 | 1.9 | 111.6 | I349 I350 T375 | I349-R377 PolarHBondContact O-N 3Å; I350-R377 HydrophobicContact CG1-CB 4.05Å; I350-R377 HydrophobicContact CG1-CG 4.49Å; T375-R377 PolarHBondContact O-N 3.35Å |
| 378 | S | 96.9 | Very high | 95.5 | Very high | 31 Ų | 31 | 59.2 Ų | 59.2 | 22% | 0.217 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | 160.9 | 174.8 | 59.8 | 0 | 0 | 0 | 0 | 111.6 | I350 I351 H380 | I350-S378 WeakPolarHBondContact CA-O 3.35Å; I350-S378 WeakPolarHBondContact CG2-OG 3.27Å; I351-S378 PolarHBondContact N-O 2.95Å; I351-S378 VanDerWaalsContact N-O 3.13Å; S378-H380 PolarHBondContact OG-NE2 2.88Å |
| 379 | T | 97.9 | Very high | 95.5 | Very high | 60 Ų | 60 | 59.1 Ų | 59.1 | 37% | 0.368 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 139.2 | 172.7 | 67.4 | 0 | 0 | 0 | 0 | 109.9 | I351 I369 I376 | I351-T379 HydrophobicContact CB-CG2 4.33Å; I351-T379 CarbonylContact O-C 3.51Å; I351-T379 VanDerWaalsContact O-CA 3.29Å; I351-T379 WeakPolarHBondContact O-CA 2.89Å; I369-T379 HydrophobicContact CD1-CG2 3.99Å; I369-T379 HydrophobicContact CG1-CG2 4.38Å; I376-T379 HydrophobicContact CG2-CG2 3.59Å |
| 380 | H | 98.2 | Very high | 95.6 | Very high | 48 Ų | 48 | 57.9 Ų | 57.9 | 22% | 0.222 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 119.8 | -177.4 | -62.3 | -94.4 | 0 | 0 | 0 | 109.7 | I351 Y352 Y353 S378 F382 | I351-H380 PolarHBondContact O-N 2.73Å; Y352-H380 WeakPolarHBondContact CA-O 3.31Å; Y352-H380 HydrophobicContact CD1-CB 3.45Å; Y352-H380 VanDerWaalsContact CD1-CB 3.45Å; Y352-H380 AromaticContact CD1-CG 3.91Å; Y352-H380 HydrophobicContact CE1-CB 3.59Å; Y352-H380 AromaticContact CE1-CD2 3.55Å; Y352-H380 AromaticContact CE1-CG 3.51Å; Y352-H380 HydrophobicContact CG-CB 4.25Å; Y352-H380 AromaticContact CZ-CD2 3.68Å; Y353-H380 WeakPolarHBondContact CD1-O 3.39Å; Y353-H380 PolarHBondContact N-O 3.22Å; S378-H380 PolarHBondContact OG-NE2 2.88Å; H380-F382 HydrophobicContact CB-CE2 3.94Å |
| 381 | Y | 98.3 | Very high | 95.6 | Very high | 102 Ų | 102 | 49.5 Ų | 49.5 | 40% | 0.4 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 128.3 | -176.5 | 179 | -124.7 | 0 | 0 | 0 | 111 | Y353 G355 Y362 P383 | Y353-Y381 AromaticContact CD2-CD2 3.58Å; Y353-Y381 HydrophobicContact CD2-CD2 3.58Å; Y353-Y381 HydrophobicContact CD2-CE2 4.13Å; Y353-Y381 HydrophobicContact CE1-CD2 4.5Å; Y353-Y381 AromaticContact CE2-CD2 3.3Å; Y353-Y381 HydrophobicContact CE2-CD2 3.3Å; Y353-Y381 AromaticContact CE2-CE2 3.94Å; Y353-Y381 HydrophobicContact CE2-CE2 3.94Å; Y353-Y381 HydrophobicContact CE2-CG 4.02Å; Y353-Y381 HydrophobicContact CG-CD2 4.31Å; Y353-Y381 AromaticContact CZ-CD2 3.82Å; Y353-Y381 WeakPolarHBondContact O-CA 3.39Å; Y353-Y381 WeakPolarHBondContact O-CD2 3.37Å; G355-Y381 WeakPolarHBondContact CA-OH 3.25Å; Y362-Y381 AromaticContact CD2-CE2 3.98Å; Y362-Y381 HydrophobicContact CD2-CE2 3.98Å; Y362-Y381 HydrophobicContact CE2-CE2 4.42Å; Y381-P383 HydrophobicContact CD1-CG 3.91Å; Y381-P383 HydrophobicContact CE1-CB 3.94Å; Y381-P383 HydrophobicContact CE1-CG 3.66Å; Y381-P383 WeakPolarHBondContact O-CD 3.38Å |
| 382 | F | 98 | Very high | 95.6 | Very high | 27 Ų | 27 | 46.2 Ų | 46.2 | 12% | 0.118 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 94.1 | 178 | -72.3 | -103 | 0 | 0 | 0 | 108.8 | Y352 Y353 G354 G355 H380 D384 Y385 L399 L400 L403 | Y352-F382 AromaticContact CD1-CE2 3.81Å; Y352-F382 HydrophobicContact CD1-CE2 3.81Å; Y352-F382 HydrophobicContact CE1-CE2 4.45Å; Y353-F382 PolarHBondContact O-N 3.09Å; G354-F382 CarbonylContact C-O 3.57Å; G354-F382 VanDerWaalsContact CA-O 3.3Å; G354-F382 WeakPolarHBondContact CA-O 3.48Å; G355-F382 PolarHBondContact N-O 3.47Å; H380-F382 HydrophobicContact CB-CE2 3.94Å; F382-D384 PolarHBondContact O-N 3.29Å; F382-D384 VanDerWaalsContact O-N 3.11Å; F382-Y385 HydrophobicContact CB-CD1 3.8Å; F382-Y385 HydrophobicContact CB-CD2 4.08Å; F382-Y385 HydrophobicContact CB-CE1 4.43Å; F382-Y385 HydrophobicContact CB-CG 3.58Å; F382-Y385 HydrophobicContact CD1-CD1 4.03Å; F382-Y385 HydrophobicContact CD1-CD2 4.36Å; F382-Y385 AromaticContact CD1-CE1 3.78Å; F382-Y385 HydrophobicContact CD1-CE1 3.78Å; F382-Y385 HydrophobicContact CD1-CE2 4.16Å; F382-Y385 HydrophobicContact CD1-CG 4.3Å; F382-Y385 AromaticContact CD1-CZ 3.85Å; F382-Y385 HydrophobicContact CG-CD1 4.29Å; F382-Y385 HydrophobicContact CG-CD2 4.27Å; F382-Y385 HydrophobicContact CG-CE1 4.46Å; F382-Y385 HydrophobicContact CG-CE2 4.47Å; F382-Y385 HydrophobicContact CG-CG 4.18Å; F382-Y385 PolarHBondContact O-N 2.91Å; F382-Y385 VanDerWaalsContact O-N 3.12Å; F382-L399 HydrophobicContact CE1-CB 4.14Å; F382-L400 HydrophobicContact CE2-CD1 4.31Å; F382-L400 HydrophobicContact CZ-CB 4.48Å; F382-L400 HydrophobicContact CZ-CD1 4.25Å; F382-L403 HydrophobicContact CZ-CD1 4.01Å |
| 383 | P | 96.7 | Very high | 95.6 | Very high | 67 Ų | 67 | 46.1 Ų | 46.1 | 44% | 0.435 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -33.6 | -169.7 | -24.1 | 31.1 | 0 | 0 | 0 | 114.5 | G355 Q356 Y381 | G355-P383 CarbonylContact C-O 3.53Å; G355-P383 VanDerWaalsContact CA-O 3.23Å; G355-P383 WeakPolarHBondContact CA-O 3.41Å; Q356-P383 PolarHBondContact N-O 3.18Å; Q356-P383 PolarHBondContact NE2-O 3.34Å; Y381-P383 HydrophobicContact CD1-CG 3.91Å; Y381-P383 HydrophobicContact CE1-CB 3.94Å; Y381-P383 HydrophobicContact CE1-CG 3.66Å; Y381-P383 WeakPolarHBondContact O-CD 3.38Å |
| 384 | D | 96.1 | Very high | 95.9 | Very high | 124 Ų | 124 | 44.9 Ų | 44.9 | 66% | 0.663 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -13.9 | -176.1 | -63.2 | -46.1 | 0 | 0 | 0 | 113.4 | Q356 F382 N386 | Q356-D384 WeakPolarHBondContact CG-O 3.31Å; F382-D384 PolarHBondContact O-N 3.29Å; F382-D384 VanDerWaalsContact O-N 3.11Å; D384-N386 PolarHBondContact O-N 3.33Å |
| 385 | Y | 97.4 | Very high | 96.3 | Very high | 6 Ų | 6 | 37 Ų | 37 | 2% | 0.024 | 19% | 0.187 | C | C | . | . | trans | -71.6 | 131.9 | -177.9 | -85.7 | 36.5 | 0 | 0 | 0 | 111.1 | G354 G355 Q356 D357 F382 D389 F390 N395 A396 L400 | G354-Y385 CarbonylContact C-O 3.47Å; G354-Y385 WeakPolarHBondContact CA-O 3.44Å; G355-Y385 PolarHBondContact N-O 3.29Å; Q356-Y385 CarbonylContact C-O 3.31Å; Q356-Y385 WeakPolarHBondContact CA-O 3.48Å; Q356-Y385 WeakPolarHBondContact CB-O 3.07Å; Q356-Y385 PolarHBondContact N-O 3.27Å; D357-Y385 PolarHBondContact N-O 2.87Å; F382-Y385 HydrophobicContact CB-CD1 3.8Å; F382-Y385 HydrophobicContact CB-CD2 4.08Å; F382-Y385 HydrophobicContact CB-CE1 4.43Å; F382-Y385 HydrophobicContact CB-CG 3.58Å; F382-Y385 HydrophobicContact CD1-CD1 4.03Å; F382-Y385 HydrophobicContact CD1-CD2 4.36Å; F382-Y385 AromaticContact CD1-CE1 3.78Å; F382-Y385 HydrophobicContact CD1-CE1 3.78Å; F382-Y385 HydrophobicContact CD1-CE2 4.16Å; F382-Y385 HydrophobicContact CD1-CG 4.3Å; F382-Y385 AromaticContact CD1-CZ 3.85Å; F382-Y385 HydrophobicContact CG-CD1 4.29Å; F382-Y385 HydrophobicContact CG-CD2 4.27Å; F382-Y385 HydrophobicContact CG-CE1 4.46Å; F382-Y385 HydrophobicContact CG-CE2 4.47Å; F382-Y385 HydrophobicContact CG-CG 4.18Å; F382-Y385 PolarHBondContact O-N 2.91Å; F382-Y385 VanDerWaalsContact O-N 3.12Å; Y385-D389 WeakPolarHBondContact CA-OD2 3.36Å; Y385-D389 HydrophobicContact CD1-CB 4.26Å; Y385-D389 HydrophobicContact CD2-CB 3.51Å; Y385-D389 HydrophobicContact CE2-CB 3.97Å; Y385-D389 HydrophobicContact CG-CB 3.67Å; Y385-F390 HydrophobicContact CD2-CD1 4.15Å; Y385-F390 HydrophobicContact CD2-CD2 4.34Å; Y385-F390 AromaticContact CD2-CE1 3.91Å; Y385-F390 HydrophobicContact CD2-CE1 3.91Å; Y385-F390 HydrophobicContact CD2-CE2 4.13Å; Y385-F390 HydrophobicContact CD2-CG 4.33Å; Y385-F390 AromaticContact CD2-CZ 3.88Å; Y385-F390 HydrophobicContact CD2-CZ 3.88Å; Y385-F390 HydrophobicContact CG-CZ 4.43Å; Y385-N395 WeakPolarHBondContact CE1-OD1 3.35Å; Y385-N395 VanDerWaalsContact CZ-OD1 3.28Å; Y385-N395 PolarHBondContact OH-OD1 3.28Å; Y385-A396 WeakPolarHBondContact OH-CA 3.38Å; Y385-L400 HydrophobicContact CE2-CD2 4.39Å | ||
| 386 | N | 94.8 | Very high | 96.7 | Very high | 6 Ų | 6 | 36.1 Ų | 36.1 | 3% | 0.032 | 18% | 0.181 | C | C | . | . | trans | -82.7 | -173.3 | 159.6 | 82.4 | 18.1 | 0 | 0 | 0 | 110.7 | D281 Q356 D384 L388 D389 F390 | D281-N386 HydrophobicContact CB-CB 4.33Å; D281-N386 WeakPolarHBondContact CB-ND2 3.28Å; D281-N386 PolarHBondContact N-ND2 3.13Å; Q356-N386 HydrophobicContact CB-CB 4.42Å; D384-N386 PolarHBondContact O-N 3.33Å; N386-L388 WeakPolarHBondContact OD1-CA 3.25Å; N386-L388 PolarHBondContact OD1-N 2.89Å; N386-D389 PolarHBondContact N-OD2 3.15Å; N386-D389 PolarHBondContact OD1-N 3.15Å; N386-D389 PolarHBondContact OD1-OD2 3.17Å; N386-D389 VanDerWaalsContact OD1-OD2 3.12Å; N386-F390 WeakPolarHBondContact O-CD2 3.17Å; N386-F390 VanDerWaalsContact O-CE2 3.22Å; N386-F390 WeakPolarHBondContact O-CE2 3.32Å | ||
| 387 | H | 97.5 | Very high | 96.7 | Very high | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.019 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -69.3 | -34.3 | -176 | -166.8 | 67.8 | 0 | 0 | 0 | 115.5 | H184 S185 A278 D357 | H184-H387 AromaticContact CE1-NE2 3.88Å; H184-H387 AromaticContact NE2-NE2 3.97Å; H184-H387 PolarHBondContact NE2-O 3.3Å; S185-H387 VanDerWaalsContact CB-CE1 3.49Å; S185-H387 WeakPolarHBondContact CB-CE1 3.46Å; S185-H387 WeakPolarHBondContact CB-NE2 3.42Å; S185-H387 PolarHBondContact OG-CE1 3.25Å; S185-H387 VanDerWaalsContact OG-CE1 3.3Å; S185-H387 PolarHBondContact OG-NE2 3.13Å; A278-H387 HydrophobicContact CB-CB 3.99Å; D357-H387 VanDerWaalsContact CG-ND1 3.35Å; D357-H387 WeakPolarHBondContact OD1-CB 3.47Å; D357-H387 IonicContact OD1-CG 2.67Å; D357-H387 IonicContact OD1-ND1 2.81Å; D357-H387 PolarHBondContact OD1-ND1 2.93Å; D357-H387 VanDerWaalsContact OD1-ND1 3.07Å; D357-H387 WeakPolarHBondContact OD2-CA 3.42Å; D357-H387 IonicContact OD2-CE1 3.11Å; D357-H387 IonicContact OD2-CG 2.72Å; D357-H387 IonicContact OD2-ND1 2.69Å; D357-H387 PolarHBondContact OD2-ND1 2.93Å |
| 388 | L | 96 | Very high | 96.8 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -89.3 | -17.5 | -176.8 | -63.3 | 169.5 | 0 | 0 | 0 | 112.3 | M274 Y275 A278 N386 F390 V391 W392 | M274-L388 HydrophobicContact CE-CD2 4.24Å; Y275-L388 HydrophobicContact CD1-CD1 3.55Å; Y275-L388 HydrophobicContact CE1-CD1 3.62Å; A278-L388 HydrophobicContact CB-CD1 3.87Å; A278-L388 HydrophobicContact CB-CD2 4.16Å; A278-L388 HydrophobicContact CB-CG 3.77Å; N386-L388 WeakPolarHBondContact OD1-CA 3.25Å; N386-L388 PolarHBondContact OD1-N 2.89Å; L388-F390 PolarHBondContact O-N 3.32Å; L388-F390 VanDerWaalsContact O-N 3.1Å; L388-V391 WeakPolarHBondContact O-CG2 3.5Å; L388-V391 PolarHBondContact O-N 3.34Å; L388-W392 HydrophobicContact CB-CD2 4.34Å; L388-W392 HydrophobicContact CB-CE3 3.91Å; L388-W392 HydrophobicContact CB-CZ3 4.43Å; L388-W392 HydrophobicContact CD1-CE3 3.77Å; L388-W392 HydrophobicContact CD1-CH2 4.37Å; L388-W392 HydrophobicContact CD1-CZ3 3.52Å; L388-W392 HydrophobicContact CD2-CD2 4.35Å; L388-W392 HydrophobicContact CD2-CE3 3.97Å; L388-W392 HydrophobicContact CD2-CH2 3.92Å; L388-W392 HydrophobicContact CD2-CZ2 4.27Å; L388-W392 HydrophobicContact CD2-CZ3 3.77Å; L388-W392 HydrophobicContact CG-CE3 4.08Å; L388-W392 HydrophobicContact CG-CZ3 4.09Å; L388-W392 PolarHBondContact O-N 3Å |
| 389 | D | 97.1 | Very high | 96.8 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.011 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.5 | -23 | -179.4 | -72.2 | -39.7 | 0 | 0 | 0 | 113.6 | N284 Y385 N386 V391 G393 A396 | N284-D389 WeakPolarHBondContact CB-OD1 3.45Å; N284-D389 VanDerWaalsContact ND2-CG 3.27Å; N284-D389 PolarHBondContact ND2-OD1 3.27Å; Y385-D389 WeakPolarHBondContact CA-OD2 3.36Å; Y385-D389 HydrophobicContact CD1-CB 4.26Å; Y385-D389 HydrophobicContact CD2-CB 3.51Å; Y385-D389 HydrophobicContact CE2-CB 3.97Å; Y385-D389 HydrophobicContact CG-CB 3.67Å; N386-D389 PolarHBondContact N-OD2 3.15Å; N386-D389 PolarHBondContact OD1-N 3.15Å; N386-D389 PolarHBondContact OD1-OD2 3.17Å; N386-D389 VanDerWaalsContact OD1-OD2 3.12Å; D389-V391 PolarHBondContact O-N 2.69Å; D389-G393 WeakPolarHBondContact O-CA 3.27Å; D389-G393 PolarHBondContact O-N 2.86Å; D389-A396 WeakPolarHBondContact O-CB 3.14Å |
| 390 | F | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.6 | -20.8 | 176.2 | -65.7 | -83.6 | 0 | 0 | 0 | 114.1 | L211 A212 Y353 Y385 N386 L388 L400 Y401 | L211-F390 HydrophobicContact CB-CB 4.13Å; L211-F390 HydrophobicContact CB-CD1 4.3Å; L211-F390 HydrophobicContact CB-CG 4.37Å; A212-F390 HydrophobicContact CB-CD2 3.74Å; A212-F390 HydrophobicContact CB-CE2 3.85Å; A212-F390 HydrophobicContact CB-CG 4.36Å; Y353-F390 VanDerWaalsContact C-CZ 3.47Å; Y385-F390 HydrophobicContact CD2-CD1 4.15Å; Y385-F390 HydrophobicContact CD2-CD2 4.34Å; Y385-F390 AromaticContact CD2-CE1 3.91Å; Y385-F390 HydrophobicContact CD2-CE1 3.91Å; Y385-F390 HydrophobicContact CD2-CE2 4.13Å; Y385-F390 HydrophobicContact CD2-CG 4.33Å; Y385-F390 AromaticContact CD2-CZ 3.88Å; Y385-F390 HydrophobicContact CD2-CZ 3.88Å; Y385-F390 HydrophobicContact CG-CZ 4.43Å; N386-F390 WeakPolarHBondContact O-CD2 3.17Å; N386-F390 VanDerWaalsContact O-CE2 3.22Å; N386-F390 WeakPolarHBondContact O-CE2 3.32Å; L388-F390 PolarHBondContact O-N 3.32Å; L388-F390 VanDerWaalsContact O-N 3.1Å; F390-L400 HydrophobicContact CB-CD2 4.25Å; F390-L400 HydrophobicContact CD1-CD2 3.73Å; F390-L400 HydrophobicContact CG-CD2 4.45Å; F390-Y401 WeakPolarHBondContact O-CE1 3.36Å; F390-Y401 PolarHBondContact O-OH 3.25Å |
| 391 | V | 96.9 | Very high | 96.9 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -124.4 | -35.5 | -177 | -71.1 | 0 | 0 | 0 | 0 | 112.2 | T105 W106 H184 L388 D389 Y401 | T105-V391 HydrophobicContact CG2-CG1 4.47Å; W106-V391 HydrophobicContact CE3-CG1 4.17Å; W106-V391 HydrophobicContact CH2-CG1 3.96Å; W106-V391 HydrophobicContact CZ3-CG1 3.63Å; H184-V391 HydrophobicContact CB-CG1 3.99Å; L388-V391 WeakPolarHBondContact O-CG2 3.5Å; L388-V391 PolarHBondContact O-N 3.34Å; D389-V391 PolarHBondContact O-N 2.69Å; V391-Y401 WeakPolarHBondContact CA-OH 3.32Å; V391-Y401 PolarHBondContact O-OH 3.36Å |
| 392 | W | 94.9 | Very high | 96.9 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 1% | 0.011 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -112.7 | -6 | -174.3 | -54.4 | -14.2 | 0 | 0 | 0 | 113.6 | T105 N108 M274 Y275 T297 L388 L394 | T105-W392 PolarHBondContact OG1-NE1 3.18Å; N108-W392 PolarHBondContact ND2-NE1 2.99Å; M274-W392 HydrophobicContact CB-CH2 4.32Å; M274-W392 HydrophobicContact CG-CH2 4.43Å; Y275-W392 HydrophobicContact CE1-CE3 4.19Å; Y275-W392 HydrophobicContact CE1-CZ3 4.01Å; T297-W392 HydrophobicContact CG2-CH2 4.21Å; T297-W392 HydrophobicContact CG2-CZ2 4.4Å; L388-W392 HydrophobicContact CB-CD2 4.34Å; L388-W392 HydrophobicContact CB-CE3 3.91Å; L388-W392 HydrophobicContact CB-CZ3 4.43Å; L388-W392 HydrophobicContact CD1-CE3 3.77Å; L388-W392 HydrophobicContact CD1-CH2 4.37Å; L388-W392 HydrophobicContact CD1-CZ3 3.52Å; L388-W392 HydrophobicContact CD2-CD2 4.35Å; L388-W392 HydrophobicContact CD2-CE3 3.97Å; L388-W392 HydrophobicContact CD2-CH2 3.92Å; L388-W392 HydrophobicContact CD2-CZ2 4.27Å; L388-W392 HydrophobicContact CD2-CZ3 3.77Å; L388-W392 HydrophobicContact CG-CE3 4.08Å; L388-W392 HydrophobicContact CG-CZ3 4.09Å; L388-W392 PolarHBondContact O-N 3Å; W392-L394 PolarHBondContact O-N 3.47Å |
| 393 | G | 95.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -65.4 | 131.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | N284 D389 N395 A396 | N284-G393 WeakPolarHBondContact ND2-CA 3.21Å; N284-G393 WeakPolarHBondContact O-CA 3.43Å; D389-G393 WeakPolarHBondContact O-CA 3.27Å; D389-G393 PolarHBondContact O-N 2.86Å; G393-N395 PolarHBondContact O-N 3.47Å; G393-A396 VanDerWaalsContact O-CB 3.23Å; G393-A396 WeakPolarHBondContact O-CB 3.31Å; G393-A396 PolarHBondContact O-N 2.61Å |
| 394 | L | 94.3 | Very high | 97 | Very high | 66 Ų | 66 | 31.2 Ų | 31.2 | 35% | 0.346 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -37.6 | 177.3 | -78 | 168.7 | 0 | 0 | 0 | 112.5 | N284 N286 W392 | N284-L394 WeakPolarHBondContact O-CG 3.3Å; N284-L394 PolarHBondContact O-N 3.32Å; N284-L394 PolarHBondContact OD1-N 3.31Å; N286-L394 HydrophobicContact CB-CD2 3.59Å; N286-L394 HydrophobicContact CB-CG 4.15Å; W392-L394 PolarHBondContact O-N 3.47Å |
| 395 | N | 96.3 | Very high | 97.1 | Very high | 49 Ų | 49 | 26.8 Ų | 26.8 | 26% | 0.262 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -1.5 | -179 | 64.9 | 4 | 0 | 0 | 0 | 114.1 | N284 Y385 G393 A397 K398 L399 | N284-N395 VanDerWaalsContact CG-OD1 3.28Å; N284-N395 PolarHBondContact ND2-OD1 3.37Å; N284-N395 PolarHBondContact OD1-N 3.19Å; N284-N395 VanDerWaalsContact OD1-N 3.12Å; N284-N395 PolarHBondContact OD1-ND2 2.8Å; N284-N395 PolarHBondContact OD1-OD1 2.95Å; Y385-N395 WeakPolarHBondContact CE1-OD1 3.35Å; Y385-N395 VanDerWaalsContact CZ-OD1 3.28Å; Y385-N395 PolarHBondContact OH-OD1 3.28Å; G393-N395 PolarHBondContact O-N 3.47Å; N395-A397 VanDerWaalsContact C-N 3.33Å; N395-A397 PolarHBondContact O-N 2.9Å; N395-K398 PolarHBondContact O-N 3.4Å; N395-L399 HydrophobicContact CB-CD1 4.03Å; N395-L399 HydrophobicContact CB-CG 4.34Å; N395-L399 PolarHBondContact O-N 2.72Å |
| 396 | A | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.6 | -41.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y385 D389 G393 K398 L399 L400 Y401 | Y385-A396 WeakPolarHBondContact OH-CA 3.38Å; D389-A396 WeakPolarHBondContact O-CB 3.14Å; G393-A396 VanDerWaalsContact O-CB 3.23Å; G393-A396 WeakPolarHBondContact O-CB 3.31Å; G393-A396 PolarHBondContact O-N 2.61Å; A396-K398 PolarHBondContact O-N 2.9Å; A396-L399 PolarHBondContact O-N 2.74Å; A396-L400 WeakPolarHBondContact O-CA 3.47Å; A396-L400 WeakPolarHBondContact O-CB 3.08Å; A396-L400 PolarHBondContact O-N 2.84Å; A396-Y401 HydrophobicContact CB-CE1 3.86Å; A396-Y401 HydrophobicContact CB-CE2 3.89Å; A396-Y401 PolarHBondContact O-N 3.46Å |
| 397 | A | 97.3 | Very high | 97.2 | Very high | 23 Ų | 23 | 30.7 Ų | 30.7 | 19% | 0.19 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.8 | -20.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | E112 I118 N395 Y401 P402 | E112-A397 WeakPolarHBondContact O-CB 3.5Å; I118-A397 HydrophobicContact CD1-CB 3.87Å; N395-A397 VanDerWaalsContact C-N 3.33Å; N395-A397 PolarHBondContact O-N 2.9Å; A397-Y401 HydrophobicContact CB-CD2 3.74Å; A397-Y401 HydrophobicContact CB-CE2 4.15Å; A397-P402 VanDerWaalsContact O-CD 3.29Å; A397-P402 WeakPolarHBondContact O-CD 3.43Å; A397-P402 WeakPolarHBondContact O-CG 3.39Å |
| 398 | K | 97.4 | Very high | 97.2 | Very high | 170 Ų | 170 | 30.6 Ų | 30.6 | 74% | 0.739 | 16% | 0.158 | S | C | * | . | H | α-helix | trans | -90 | -37.3 | 176.3 | -173.6 | 177.3 | 178.7 | 179.5 | 0 | 112.7 | N395 A396 | N395-K398 PolarHBondContact O-N 3.4Å; A396-K398 PolarHBondContact O-N 2.9Å |
| 399 | L | 97.6 | Very high | 97.1 | Very high | 81 Ų | 81 | 34.5 Ų | 34.5 | 42% | 0.424 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -110.5 | -35.3 | -167.6 | -58.6 | -178.5 | 0 | 0 | 0 | 113.9 | F382 N395 A396 L403 | F382-L399 HydrophobicContact CE1-CB 4.14Å; N395-L399 HydrophobicContact CB-CD1 4.03Å; N395-L399 HydrophobicContact CB-CG 4.34Å; N395-L399 PolarHBondContact O-N 2.72Å; A396-L399 PolarHBondContact O-N 2.74Å; L399-L403 WeakPolarHBondContact O-CD1 3.38Å |
| 400 | L | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -54.1 | -172.6 | 173.4 | 61.7 | 0 | 0 | 0 | 111.8 | L211 Y352 F382 Y385 F390 A396 L403 I404 | L211-L400 HydrophobicContact CD2-CD1 4.48Å; Y352-L400 HydrophobicContact CD1-CD1 3.18Å; Y352-L400 HydrophobicContact CD2-CD1 4.42Å; Y352-L400 HydrophobicContact CE1-CD1 3.59Å; Y352-L400 HydrophobicContact CG-CD1 3.68Å; F382-L400 HydrophobicContact CE2-CD1 4.31Å; F382-L400 HydrophobicContact CZ-CB 4.48Å; F382-L400 HydrophobicContact CZ-CD1 4.25Å; Y385-L400 HydrophobicContact CE2-CD2 4.39Å; F390-L400 HydrophobicContact CB-CD2 4.25Å; F390-L400 HydrophobicContact CD1-CD2 3.73Å; F390-L400 HydrophobicContact CG-CD2 4.45Å; A396-L400 WeakPolarHBondContact O-CA 3.47Å; A396-L400 WeakPolarHBondContact O-CB 3.08Å; A396-L400 PolarHBondContact O-N 2.84Å; L400-L403 WeakPolarHBondContact O-CB 3.44Å; L400-L403 PolarHBondContact O-N 3.04Å; L400-I404 HydrophobicContact CD1-CD1 4.28Å; L400-I404 HydrophobicContact CD1-CG1 4.38Å; L400-I404 HydrophobicContact CG-CD1 4.11Å; L400-I404 PolarHBondContact O-N 3.47Å; L400-I404 VanDerWaalsContact O-N 3.14Å |
| 401 | Y | 98.5 | Very high | 96.5 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.7 | -33.3 | -172.5 | -53.8 | -22.3 | 0 | 0 | 0 | 114.1 | E113 L115 I118 F390 V391 A396 A397 L403 I404 L405 | E113-Y401 WeakPolarHBondContact O-CE2 3.09Å; L115-Y401 HydrophobicContact CB-CD1 4.34Å; L115-Y401 HydrophobicContact CB-CD2 4.36Å; L115-Y401 HydrophobicContact CB-CE1 4.09Å; L115-Y401 HydrophobicContact CB-CE2 4.13Å; L115-Y401 HydrophobicContact CB-CG 4.49Å; L115-Y401 HydrophobicContact CD1-CD1 3.89Å; L115-Y401 HydrophobicContact CD1-CD2 4.42Å; L115-Y401 HydrophobicContact CD1-CE1 4.45Å; L115-Y401 HydrophobicContact CD1-CG 3.89Å; L115-Y401 HydrophobicContact CD2-CD1 4.49Å; L115-Y401 HydrophobicContact CD2-CE1 4.42Å; L115-Y401 HydrophobicContact CG-CD1 4.47Å; I118-Y401 HydrophobicContact CD1-CD2 3.51Å; I118-Y401 HydrophobicContact CD1-CE2 4.23Å; I118-Y401 HydrophobicContact CD1-CG 4.41Å; F390-Y401 WeakPolarHBondContact O-CE1 3.36Å; F390-Y401 PolarHBondContact O-OH 3.25Å; V391-Y401 WeakPolarHBondContact CA-OH 3.32Å; V391-Y401 PolarHBondContact O-OH 3.36Å; A396-Y401 HydrophobicContact CB-CE1 3.86Å; A396-Y401 HydrophobicContact CB-CE2 3.89Å; A396-Y401 PolarHBondContact O-N 3.46Å; A397-Y401 HydrophobicContact CB-CD2 3.74Å; A397-Y401 HydrophobicContact CB-CE2 4.15Å; Y401-L403 VanDerWaalsContact C-N 3.29Å; Y401-L403 PolarHBondContact O-N 3.06Å; Y401-I404 HydrophobicContact CD1-CD1 4.07Å; Y401-I404 WeakPolarHBondContact O-CB 3.29Å; Y401-I404 PolarHBondContact O-N 3.4Å; Y401-I404 VanDerWaalsContact O-N 3.17Å; Y401-L405 WeakPolarHBondContact O-CG 3.32Å; Y401-L405 PolarHBondContact O-N 3.26Å |
| 402 | P | 98.3 | Very high | 96.5 | Very high | 62 Ų | 62 | 46.7 Ų | 46.7 | 40% | 0.403 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.4 | -35.8 | 171.5 | -26.3 | 37.2 | 0 | 0 | 0 | 113.3 | A397 L405 E406 | A397-P402 VanDerWaalsContact O-CD 3.29Å; A397-P402 WeakPolarHBondContact O-CD 3.43Å; A397-P402 WeakPolarHBondContact O-CG 3.39Å; P402-L405 PolarHBondContact O-N 2.91Å; P402-E406 PolarHBondContact O-N 3.33Å |
| 403 | L | 98.2 | Very high | 96.5 | Very high | 50 Ų | 50 | 49 Ų | 49 | 26% | 0.262 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.1 | -40.9 | 174.8 | -56.7 | 176.1 | 0 | 0 | 0 | 110.6 | Y352 F382 L399 L400 Y401 E406 Q407 | Y352-L403 HydrophobicContact CE1-CB 4.17Å; Y352-L403 HydrophobicContact CE1-CD1 4.15Å; F382-L403 HydrophobicContact CZ-CD1 4.01Å; L399-L403 WeakPolarHBondContact O-CD1 3.38Å; L400-L403 WeakPolarHBondContact O-CB 3.44Å; L400-L403 PolarHBondContact O-N 3.04Å; Y401-L403 VanDerWaalsContact C-N 3.29Å; Y401-L403 PolarHBondContact O-N 3.06Å; L403-E406 PolarHBondContact O-N 2.75Å; L403-Q407 WeakPolarHBondContact O-CG 3.44Å; L403-Q407 PolarHBondContact O-N 3.45Å; L403-Q407 VanDerWaalsContact O-N 3.07Å |
| 404 | I | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.6 | -50.1 | 175 | -68.2 | 178.7 | 0 | 0 | 0 | 110.7 | L115 I182 I209 L211 Y352 L400 Y401 E406 Q407 L408 | L115-I404 HydrophobicContact CD1-CD1 4.46Å; L115-I404 HydrophobicContact CD1-CG2 4.37Å; L115-I404 HydrophobicContact CD2-CD1 4.17Å; I182-I404 HydrophobicContact CD1-CG2 3.76Å; I209-I404 HydrophobicContact CD1-CB 4.47Å; I209-I404 HydrophobicContact CD1-CG2 3.8Å; I209-I404 HydrophobicContact CG2-CD1 4.45Å; I209-I404 HydrophobicContact CG2-CG1 4.35Å; L211-I404 HydrophobicContact CD1-CD1 4.36Å; L211-I404 HydrophobicContact CD2-CD1 4.02Å; Y352-I404 HydrophobicContact CE2-CG1 4.29Å; L400-I404 HydrophobicContact CD1-CD1 4.28Å; L400-I404 HydrophobicContact CD1-CG1 4.38Å; L400-I404 HydrophobicContact CG-CD1 4.11Å; L400-I404 PolarHBondContact O-N 3.47Å; L400-I404 VanDerWaalsContact O-N 3.14Å; Y401-I404 HydrophobicContact CD1-CD1 4.07Å; Y401-I404 WeakPolarHBondContact O-CB 3.29Å; Y401-I404 PolarHBondContact O-N 3.4Å; Y401-I404 VanDerWaalsContact O-N 3.17Å; I404-E406 VanDerWaalsContact C-N 3.32Å; I404-E406 PolarHBondContact O-N 2.86Å; I404-Q407 PolarHBondContact O-N 3.14Å; I404-Q407 VanDerWaalsContact O-N 3.12Å; I404-L408 HydrophobicContact CG2-CD1 3.8Å; I404-L408 HydrophobicContact CG2-CG 4.31Å; I404-L408 WeakPolarHBondContact O-CG 3.41Å; I404-L408 PolarHBondContact O-N 3.19Å |
| 405 | L | 98.1 | Very high | 96.8 | Very high | 31 Ų | 31 | 50.8 Ų | 50.8 | 16% | 0.162 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.1 | -43.6 | 178.2 | -70.3 | 172.7 | 0 | 0 | 0 | 111.9 | I118 L119 N122 Y124 Y401 P402 Q407 L408 S409 | I118-L405 HydrophobicContact CG2-CD1 3.84Å; I118-L405 HydrophobicContact CG2-CG 4.48Å; L119-L405 HydrophobicContact CD2-CD2 3.86Å; N122-L405 HydrophobicContact CB-CD2 3.86Å; Y124-L405 HydrophobicContact CD2-CD2 4.37Å; Y124-L405 HydrophobicContact CE2-CD2 3.79Å; Y401-L405 WeakPolarHBondContact O-CG 3.32Å; Y401-L405 PolarHBondContact O-N 3.26Å; P402-L405 PolarHBondContact O-N 2.91Å; L405-Q407 VanDerWaalsContact C-N 3.3Å; L405-Q407 PolarHBondContact O-N 3.24Å; L405-L408 PolarHBondContact O-N 3.21Å; L405-S409 PolarHBondContact O-N 3.28Å |
| 406 | E | 97.4 | Very high | 96.8 | Very high | 83 Ų | 83 | 50.9 Ų | 50.9 | 39% | 0.388 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.8 | -38.3 | 176.5 | -173.6 | -171.3 | -171.5 | 0 | 0 | 112.4 | P402 L403 I404 S409 R410 | P402-E406 PolarHBondContact O-N 3.33Å; L403-E406 PolarHBondContact O-N 2.75Å; I404-E406 VanDerWaalsContact C-N 3.32Å; I404-E406 PolarHBondContact O-N 2.86Å; E406-S409 PolarHBondContact O-OG 2.77Å; E406-S409 VanDerWaalsContact O-OG 3.12Å; E406-R410 WeakPolarHBondContact O-CD 3.39Å; E406-R410 VanDerWaalsContact O-CG 3.26Å; E406-R410 WeakPolarHBondContact O-CG 3.35Å; E406-R410 IonicContact OE1-CZ 3.37Å; E406-R410 IonicContact OE1-NE 3.6Å; E406-R410 IonicContact OE1-NH2 3.69Å; E406-R410 PolarHBondContact OE1-NH2 3.36Å |
| 407 | Q | 97.3 | Very high | 96.7 | Very high | 12 Ų | 12 | 54.3 Ų | 54.3 | 6% | 0.056 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -72.9 | -39.7 | 177.6 | -60 | -52 | -50.1 | 0 | 0 | 111.9 | L207 I350 L403 I404 L405 S409 R410 | L207-Q407 HydrophobicContact CD2-CB 4.07Å; I350-Q407 HydrophobicContact CD1-CB 3.7Å; I350-Q407 HydrophobicContact CD1-CG 3.45Å; I350-Q407 VanDerWaalsContact CD1-CG 3.45Å; L403-Q407 WeakPolarHBondContact O-CG 3.44Å; L403-Q407 PolarHBondContact O-N 3.45Å; L403-Q407 VanDerWaalsContact O-N 3.07Å; I404-Q407 PolarHBondContact O-N 3.14Å; I404-Q407 VanDerWaalsContact O-N 3.12Å; L405-Q407 VanDerWaalsContact C-N 3.3Å; L405-Q407 PolarHBondContact O-N 3.24Å; Q407-S409 VanDerWaalsContact C-N 3.31Å; Q407-S409 PolarHBondContact O-N 3.36Å; Q407-R410 PolarHBondContact O-N 3.47Å |
| 408 | L | 97.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.8 | -31.7 | 177.8 | -70.9 | 171.5 | 0 | 0 | 0 | 112.8 | K91 V93 L119 Y124 S180 I182 L207 I209 I404 L405 R410 V411 | K91-L408 PolarHBondContact NZ-O 2.91Å; V93-L408 HydrophobicContact CG2-CD1 4.24Å; V93-L408 HydrophobicContact CG2-CD2 4.28Å; L119-L408 HydrophobicContact CD2-CD1 3.47Å; L119-L408 VanDerWaalsContact CD2-CD1 3.47Å; Y124-L408 HydrophobicContact CE1-CB 3.98Å; Y124-L408 HydrophobicContact CE1-CD1 4.42Å; Y124-L408 VanDerWaalsContact OH-CB 3.29Å; Y124-L408 WeakPolarHBondContact OH-CB 3.42Å; S180-L408 VanDerWaalsContact CB-CD2 3.44Å; S180-L408 WeakPolarHBondContact OG-CD2 3.27Å; I182-L408 HydrophobicContact CD1-CD1 4.31Å; L207-L408 HydrophobicContact CD2-CD2 4.27Å; I209-L408 HydrophobicContact CD1-CD2 4.1Å; I209-L408 HydrophobicContact CD1-CG 4.1Å; I404-L408 HydrophobicContact CG2-CD1 3.8Å; I404-L408 HydrophobicContact CG2-CG 4.31Å; I404-L408 WeakPolarHBondContact O-CG 3.41Å; I404-L408 PolarHBondContact O-N 3.19Å; L405-L408 PolarHBondContact O-N 3.21Å; L408-R410 PolarHBondContact O-N 3.18Å; L408-V411 WeakPolarHBondContact O-CG2 3.47Å |
| 409 | S | 94 | Very high | 96.6 | Very high | 86 Ų | 86 | 47.8 Ų | 47.8 | 60% | 0.601 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -8.4 | 178.4 | 77.9 | 0 | 0 | 0 | 0 | 113.8 | Y124 L405 E406 Q407 | Y124-S409 PolarHBondContact OH-N 3.27Å; L405-S409 PolarHBondContact O-N 3.28Å; E406-S409 PolarHBondContact O-OG 2.77Å; E406-S409 VanDerWaalsContact O-OG 3.12Å; Q407-S409 VanDerWaalsContact C-N 3.31Å; Q407-S409 PolarHBondContact O-N 3.36Å |
| 410 | R | 92.5 | Very high | 96.5 | Very high | 134 Ų | 134 | 45 Ų | 45 | 51% | 0.506 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -3.9 | -177.1 | -70.8 | 169.5 | 177 | -165.6 | -3.2 | 113.9 | E406 Q407 L408 | E406-R410 WeakPolarHBondContact O-CD 3.39Å; E406-R410 VanDerWaalsContact O-CG 3.26Å; E406-R410 WeakPolarHBondContact O-CG 3.35Å; E406-R410 IonicContact OE1-CZ 3.37Å; E406-R410 IonicContact OE1-NE 3.6Å; E406-R410 IonicContact OE1-NH2 3.69Å; E406-R410 PolarHBondContact OE1-NH2 3.36Å; Q407-R410 PolarHBondContact O-N 3.47Å; L408-R410 PolarHBondContact O-N 3.18Å |
| 411 | V | 90 | Very high | 96.4 | Very high | 79 Ų | 79 | 49.1 Ų | 49.1 | 48% | 0.479 | 26% | 0.261 | S | S | . | . | trans | -115.8 | 0 | -176.5 | -80.9 | 0 | 0 | 0 | 0 | 111.9 | K91 L207 L408 | K91-V411 PolarHBondContact NZ-O 3.18Å; L207-V411 HydrophobicContact CB-CG1 4.41Å; L207-V411 HydrophobicContact CB-CG2 3.99Å; L207-V411 HydrophobicContact CD2-CG2 3.94Å; L408-V411 WeakPolarHBondContact O-CG2 3.47Å |
Retrieved 411 of 411 residues in 111.2 ms
(Link to these results)