| 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 | 47.9 | Very low | 44.8 | Very low | 221 Ų | 221 | 118 Ų | 118 | 100% | 1.089 | 62% | 0.623 | S | S | * | * | 0 | -31.3 | 0 | -74 | -179.9 | 177.4 | 0 | 0 | 114.1 | R3 | M1-R3 PolarHBondContact O-N 2.98Š| |||
| 2 | G | 45.1 | Very low | 44.9 | Very low | 54 Ų | 54 | 115.6 Ų | 115.6 | 56% | 0.557 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -62.7 | -34.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | V6 | G2-V6 WeakPolarHBondContact O-CG2 3.26Å; G2-V6 PolarHBondContact O-N 2.78Å |
| 3 | R | 43.9 | Very low | 44.5 | Very low | 224 Ų | 224 | 113.8 Ų | 113.8 | 85% | 0.845 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -70.2 | -35.2 | -178.2 | -77.4 | -173.6 | 175.1 | -174.3 | -1.2 | 114.3 | M1 Q7 | M1-R3 PolarHBondContact O-N 2.98Å; R3-Q7 PolarHBondContact O-N 3.17Å |
| 4 | F | 45.8 | Very low | 44.3 | Very low | 165 Ų | 165 | 115 Ų | 115 | 72% | 0.724 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -73.8 | -36.8 | 179.7 | -81 | -78.8 | 0 | 0 | 0 | 112.7 | V6 Q7 A8 | F4-V6 VanDerWaalsContact C-N 3.35Å; F4-Q7 PolarHBondContact O-N 2.92Å; F4-A8 PolarHBondContact O-N 3.4Å; F4-A8 VanDerWaalsContact O-N 3.08Å |
| 5 | A | 44.7 | Very low | 44 | Very low | 64 Ų | 64 | 110.3 Ų | 110.3 | 53% | 0.529 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.5 | -38.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A8 L9 | A5-A8 PolarHBondContact O-N 3.33Å; A5-L9 WeakPolarHBondContact O-CB 3.34Å; A5-L9 PolarHBondContact O-N 2.84Å |
| 6 | V | 43.4 | Very low | 43.6 | Very low | 85 Ų | 85 | 116.8 Ų | 116.8 | 52% | 0.515 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.6 | -40.5 | 178.1 | 175.1 | 0 | 0 | 0 | 0 | 111.4 | G2 F4 L9 L10 | G2-V6 WeakPolarHBondContact O-CG2 3.26Å; G2-V6 PolarHBondContact O-N 2.78Å; F4-V6 VanDerWaalsContact C-N 3.35Å; V6-L9 PolarHBondContact O-N 2.95Å; V6-L10 HydrophobicContact CG1-CD1 3.72Å; V6-L10 HydrophobicContact CG1-CG 4.49Å; V6-L10 VanDerWaalsContact O-CB 3.32Å; V6-L10 WeakPolarHBondContact O-CB 3.48Å; V6-L10 WeakPolarHBondContact O-CD1 3.31Å; V6-L10 WeakPolarHBondContact O-CG 3.23Å; V6-L10 PolarHBondContact O-N 3.08Å |
| 7 | Q | 42.4 | Very low | 43.1 | Very low | 114 Ų | 114 | 117.7 Ų | 117.7 | 53% | 0.533 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.3 | -42.6 | 175.1 | -81.7 | -176.9 | -26.7 | 0 | 0 | 112.8 | R3 F4 L10 M11 | R3-Q7 PolarHBondContact O-N 3.17Å; F4-Q7 PolarHBondContact O-N 2.92Å; Q7-L10 PolarHBondContact O-N 3.34Å; Q7-M11 WeakPolarHBondContact O-CG 3.24Å; Q7-M11 PolarHBondContact O-N 2.74Å |
| 8 | A | 47.5 | Very low | 42.8 | Very low | 51 Ų | 51 | 116.1 Ų | 116.1 | 42% | 0.421 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.6 | -39.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | F4 A5 M11 L12 | F4-A8 PolarHBondContact O-N 3.4Å; F4-A8 VanDerWaalsContact O-N 3.08Å; A5-A8 PolarHBondContact O-N 3.33Å; A8-M11 PolarHBondContact O-N 2.89Å; A8-L12 WeakPolarHBondContact O-CG 3.35Å; A8-L12 PolarHBondContact O-N 3.37Å; A8-L12 VanDerWaalsContact O-N 3.09Å |
| 9 | L | 42.4 | Very low | 42.6 | Very low | 108 Ų | 108 | 115.9 Ų | 115.9 | 57% | 0.565 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -69.6 | -39.3 | 177.7 | -160.9 | 79.3 | 0 | 0 | 0 | 111.7 | A5 V6 L12 L13 | A5-L9 WeakPolarHBondContact O-CB 3.34Å; A5-L9 PolarHBondContact O-N 2.84Å; V6-L9 PolarHBondContact O-N 2.95Å; L9-L12 PolarHBondContact O-N 3.16Å; L9-L13 HydrophobicContact CD2-CD1 4.23Å; L9-L13 HydrophobicContact CG-CD1 4.04Å; L9-L13 WeakPolarHBondContact O-CB 3.46Å; L9-L13 PolarHBondContact O-N 3.12Å |
| 10 | L | 43.8 | Very low | 41.9 | Very low | 86 Ų | 86 | 118.7 Ų | 118.7 | 45% | 0.45 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -61.9 | -44.9 | 173.1 | -81.5 | 161.1 | 0 | 0 | 0 | 111 | V6 Q7 L12 L13 F14 | V6-L10 HydrophobicContact CG1-CD1 3.72Å; V6-L10 HydrophobicContact CG1-CG 4.49Å; V6-L10 VanDerWaalsContact O-CB 3.32Å; V6-L10 WeakPolarHBondContact O-CB 3.48Å; V6-L10 WeakPolarHBondContact O-CD1 3.31Å; V6-L10 WeakPolarHBondContact O-CG 3.23Å; V6-L10 PolarHBondContact O-N 3.08Å; Q7-L10 PolarHBondContact O-N 3.34Å; L10-L12 VanDerWaalsContact C-N 3.29Å; L10-L12 PolarHBondContact O-N 2.78Å; L10-L13 PolarHBondContact O-N 3.26Å; L10-F14 HydrophobicContact CD2-CD2 4.47Å; L10-F14 HydrophobicContact CD2-CE2 4.17Å; L10-F14 WeakPolarHBondContact O-CB 3.47Å; L10-F14 VanDerWaalsContact O-CD2 3.31Å; L10-F14 WeakPolarHBondContact O-CD2 3.4Å; L10-F14 PolarHBondContact O-N 3.15Å |
| 11 | M | 46.5 | Very low | 41.6 | Very low | 126 Ų | 126 | 116.9 Ų | 116.9 | 62% | 0.621 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -60.8 | -36.8 | 175.7 | -72.6 | -173.6 | -153.3 | 0 | 0 | 112.8 | Q7 A8 S15 | Q7-M11 WeakPolarHBondContact O-CG 3.24Å; Q7-M11 PolarHBondContact O-N 2.74Å; A8-M11 PolarHBondContact O-N 2.89Å; M11-S15 PolarHBondContact O-N 2.85Å; M11-S15 VanDerWaalsContact O-N 3.07Å |
| 12 | L | 45.2 | Very low | 41 | Very low | 89 Ų | 89 | 111.5 Ų | 111.5 | 47% | 0.466 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -74.9 | -33.2 | 177.8 | -76.1 | 162.9 | 0 | 0 | 0 | 113.8 | A8 L9 L10 S15 R16 | A8-L12 WeakPolarHBondContact O-CG 3.35Å; A8-L12 PolarHBondContact O-N 3.37Å; A8-L12 VanDerWaalsContact O-N 3.09Å; L9-L12 PolarHBondContact O-N 3.16Å; L10-L12 VanDerWaalsContact C-N 3.29Å; L10-L12 PolarHBondContact O-N 2.78Å; L12-S15 PolarHBondContact O-OG 2.95Å; L12-R16 PolarHBondContact O-N 2.85Å |
| 13 | L | 40.6 | Very low | 40.3 | Very low | 93 Ų | 93 | 117.7 Ų | 117.7 | 49% | 0.487 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -74.8 | -39.6 | 175.8 | -84.3 | 158.2 | 0 | 0 | 0 | 111.2 | L9 L10 S15 R16 L17 | L9-L13 HydrophobicContact CD2-CD1 4.23Å; L9-L13 HydrophobicContact CG-CD1 4.04Å; L9-L13 WeakPolarHBondContact O-CB 3.46Å; L9-L13 PolarHBondContact O-N 3.12Å; L10-L13 PolarHBondContact O-N 3.26Å; L13-S15 VanDerWaalsContact C-N 3.32Å; L13-R16 PolarHBondContact O-N 2.85Å; L13-L17 PolarHBondContact O-N 3.09Å |
| 14 | F | 40.6 | Very low | 40 | Very low | 130 Ų | 130 | 109.9 Ų | 109.9 | 57% | 0.57 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63.8 | -37.7 | 172.3 | -90.3 | -81.6 | 0 | 0 | 0 | 111.5 | L10 R16 L18 | L10-F14 HydrophobicContact CD2-CD2 4.47Å; L10-F14 HydrophobicContact CD2-CE2 4.17Å; L10-F14 WeakPolarHBondContact O-CB 3.47Å; L10-F14 VanDerWaalsContact O-CD2 3.31Å; L10-F14 WeakPolarHBondContact O-CD2 3.4Å; L10-F14 PolarHBondContact O-N 3.15Å; F14-R16 PolarHBondContact O-N 2.88Å; F14-L18 HydrophobicContact CD1-CD1 3.82Å; F14-L18 WeakPolarHBondContact O-CB 3.31Å; F14-L18 WeakPolarHBondContact O-CD1 3.35Å; F14-L18 PolarHBondContact O-N 3.4Å |
| 15 | S | 40.4 | Very low | 39.9 | Very low | 45 Ų | 45 | 106.2 Ų | 106.2 | 32% | 0.315 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.3 | -35 | 176.9 | 70.1 | 0 | 0 | 0 | 0 | 113.3 | M11 L12 L13 V19 | M11-S15 PolarHBondContact O-N 2.85Å; M11-S15 VanDerWaalsContact O-N 3.07Å; L12-S15 PolarHBondContact O-OG 2.95Å; L13-S15 VanDerWaalsContact C-N 3.32Å; S15-V19 VanDerWaalsContact O-CG2 3.24Å; S15-V19 WeakPolarHBondContact O-CG2 3.46Å |
| 16 | R | 36.8 | Very low | 40.3 | Very low | 213 Ų | 213 | 107.7 Ų | 107.7 | 80% | 0.804 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -76.1 | -35.4 | 179.1 | -78.8 | -171.3 | 175.7 | -165.9 | -1.5 | 114.5 | L12 L13 F14 L18 | L12-R16 PolarHBondContact O-N 2.85Å; L13-R16 PolarHBondContact O-N 2.85Å; F14-R16 PolarHBondContact O-N 2.88Å; R16-L18 VanDerWaalsContact C-N 3.34Å |
| 17 | L | 36.5 | Very low | 41.1 | Very low | 133 Ų | 133 | 110.2 Ų | 110.2 | 70% | 0.696 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -75.3 | -22.7 | 178.5 | -88.4 | 151.2 | 0 | 0 | 0 | 112.8 | L13 | L13-L17 PolarHBondContact O-N 3.09Å |
| 18 | L | 36.9 | Very low | 42.4 | Very low | 88 Ų | 88 | 108 Ų | 108 | 46% | 0.461 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.5 | 9.1 | -178.4 | -85.7 | 126.1 | 0 | 0 | 0 | 115.5 | F14 R16 Q20 F178 | F14-L18 HydrophobicContact CD1-CD1 3.82Å; F14-L18 WeakPolarHBondContact O-CB 3.31Å; F14-L18 WeakPolarHBondContact O-CD1 3.35Å; F14-L18 PolarHBondContact O-N 3.4Å; R16-L18 VanDerWaalsContact C-N 3.34Å; L18-Q20 PolarHBondContact O-N 2.91Å; L18-F178 HydrophobicContact CD2-CE2 3.91Å; L18-F178 HydrophobicContact CD2-CZ 4.13Å |
| 19 | V | 38.7 | Very low | 44.1 | Very low | 113 Ų | 113 | 109.2 Ų | 109.2 | 69% | 0.685 | 57% | 0.572 | S | S | * | * | trans | -68.5 | 3.1 | 166.8 | -169.7 | 0 | 0 | 0 | 0 | 111.8 | S15 S21 | S15-V19 VanDerWaalsContact O-CG2 3.24Å; S15-V19 WeakPolarHBondContact O-CG2 3.46Å; V19-S21 VanDerWaalsContact C-N 3.27Å; V19-S21 PolarHBondContact O-N 2.83Å | ||
| 20 | Q | 30 | Very low | 46.4 | Very low | 171 Ų | 171 | 104.4 Ų | 104.4 | 80% | 0.799 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -66.5 | 88.7 | 165.7 | -77.9 | -172.6 | -13 | 0 | 0 | 111 | L18 | L18-Q20 PolarHBondContact O-N 2.91Š|
| 21 | S | 34.3 | Very low | 48.8 | Very low | 81 Ų | 81 | 101.8 Ų | 101.8 | 57% | 0.566 | 53% | 0.533 | S | S | * | . | trans | 47.6 | 78.8 | 155.8 | 70.4 | 0 | 0 | 0 | 0 | 116.3 | V19 K23 | V19-S21 VanDerWaalsContact C-N 3.27Å; V19-S21 PolarHBondContact O-N 2.83Å; S21-K23 PolarHBondContact O-N 2.89Å | ||
| 22 | V | 36.4 | Very low | 51.1 | Low | 108 Ų | 108 | 95.8 Ų | 95.8 | 66% | 0.655 | 50% | 0.504 | S | S | * | . | trans | -63.8 | 93.4 | 141.9 | -179.3 | 0 | 0 | 0 | 0 | 105.8 | S24 | V22-S24 PolarHBondContact O-N 2.68Å; V22-S24 VanDerWaalsContact O-N 3.15Å | ||
| 23 | K | 30.2 | Very low | 53.6 | Low | 184 Ų | 184 | 91.5 Ų | 91.5 | 80% | 0.8 | 48% | 0.481 | S | S | * | . | trans | -68.9 | 107.7 | 170.6 | -74.4 | -175.6 | 177.5 | 179.2 | 0 | 106.5 | S21 D25 | S21-K23 PolarHBondContact O-N 2.89Å; K23-D25 PolarHBondContact O-N 3.37Å | ||
| 24 | S | 36.6 | Very low | 56.4 | Low | 60 Ų | 60 | 87.1 Ų | 87.1 | 42% | 0.42 | 46% | 0.458 | S | S | . | . | trans | -64.1 | 129.7 | 169.6 | 42 | 0 | 0 | 0 | 0 | 108.5 | V22 P26 | V22-S24 PolarHBondContact O-N 2.68Å; V22-S24 VanDerWaalsContact O-N 3.15Å; S24-P26 WeakPolarHBondContact O-CD 3.41Å | ||
| 25 | D | 44.2 | Very low | 59.2 | Low | 88 Ų | 88 | 81.2 Ų | 81.2 | 47% | 0.471 | 43% | 0.433 | S | S | . | . | trans | -72.8 | 116 | 167.1 | -173.2 | -15.2 | 0 | 0 | 0 | 107.2 | K23 D27 I28 | K23-D25 PolarHBondContact O-N 3.37Å; D25-D27 PolarHBondContact O-N 3.45Å; D25-D27 VanDerWaalsContact O-N 3.1Å; D25-D27 PolarHBondContact OD1-N 3.17Å; D25-D27 VanDerWaalsContact OD1-N 3.12Å; D25-I28 HydrophobicContact CB-CD1 3.9Å; D25-I28 HydrophobicContact CB-CG1 4Å; D25-I28 PolarHBondContact O-N 3.26Å | ||
| 26 | P | 52.5 | Low | 62 | Low | 95 Ų | 95 | 79.6 Ų | 79.6 | 62% | 0.617 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -14.7 | -178.5 | 24.8 | -32.9 | 0 | 0 | 0 | 113.6 | S24 | S24-P26 WeakPolarHBondContact O-CD 3.41Š|
| 27 | D | 61.6 | Low | 64.9 | Low | 139 Ų | 139 | 69.4 Ų | 69.4 | 74% | 0.743 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -4.9 | -173.2 | -69.1 | -22.8 | 0 | 0 | 0 | 114.9 | D25 T29 | D25-D27 PolarHBondContact O-N 3.45Å; D25-D27 VanDerWaalsContact O-N 3.1Å; D25-D27 PolarHBondContact OD1-N 3.17Å; D25-D27 VanDerWaalsContact OD1-N 3.12Å; D27-T29 PolarHBondContact O-N 3.3Å |
| 28 | I | 69.5 | Low | 67.9 | Low | 66 Ų | 66 | 63.7 Ų | 63.7 | 34% | 0.338 | 36% | 0.358 | S | S | . | . | trans | -77.3 | 112.8 | 178.4 | -61.3 | 174.9 | 0 | 0 | 0 | 109.8 | D25 N54 | D25-I28 HydrophobicContact CB-CD1 3.9Å; D25-I28 HydrophobicContact CB-CG1 4Å; D25-I28 PolarHBondContact O-N 3.26Å; I28-N54 HydrophobicContact CG2-CB 4.29Å; I28-N54 WeakPolarHBondContact CG2-OD1 3.38Å | ||
| 29 | T | 83.7 | Confident | 70.8 | Confident | 78 Ų | 78 | 59.5 Ų | 59.5 | 48% | 0.479 | 34% | 0.336 | S | S | . | . | trans | -68.1 | 123.1 | 170.7 | -59.3 | 0 | 0 | 0 | 0 | 109 | D27 P221 | D27-T29 PolarHBondContact O-N 3.3Å; T29-P221 HydrophobicContact CG2-CB 4.3Å; T29-P221 HydrophobicContact CG2-CG 3.97Å; T29-P221 WeakPolarHBondContact CG2-O 3.33Å | ||
| 30 | P | 90.6 | Very high | 73.7 | Confident | 7 Ų | 7 | 54.4 Ų | 54.4 | 5% | 0.045 | 31% | 0.306 | C | S | . | . | trans | -68.9 | 142 | 177.7 | 28.8 | -34.6 | 0 | 0 | 0 | 111.1 | V32 V33 N54 I220 A222 | P30-V32 VanDerWaalsContact C-N 3.33Å; P30-V33 HydrophobicContact CB-CG2 4.31Å; P30-V33 HydrophobicContact CG-CG2 3.63Å; P30-N54 CarbonylContact C-O 3.51Å; P30-I220 HydrophobicContact CG-CG2 3.8Å; P30-A222 HydrophobicContact CG-CB 4.34Å; P30-A222 VanDerWaalsContact O-CA 3.31Å; P30-A222 WeakPolarHBondContact O-CA 3.42Å | ||
| 31 | D | 92.9 | Very high | 77 | Confident | 30 Ų | 30 | 46.3 Ų | 46.3 | 16% | 0.16 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -70.7 | -38.9 | 168.5 | -52.6 | -55.7 | 0 | 0 | 0 | 108.9 | A53 N54 D223 A224 | D31-A53 HydrophobicContact CB-CB 4.21Å; D31-N54 PolarHBondContact N-O 3.21Å; D31-N54 WeakPolarHBondContact OD2-CB 3.4Å; D31-N54 PolarHBondContact OD2-N 3.07Å; D31-N54 PolarHBondContact OD2-ND2 3.17Å; D31-D223 WeakPolarHBondContact O-CB 3.5Å; D31-D223 PolarHBondContact O-N 3Å; D31-A224 PolarHBondContact O-N 3.28Å |
| 32 | V | 96.2 | Very high | 80 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 127.1 | -178.9 | -174.2 | 0 | 0 | 0 | 0 | 111.1 | P30 V34 A48 A53 N54 V55 T56 A224 V226 A500 A501 | P30-V32 VanDerWaalsContact C-N 3.33Å; V32-V34 HydrophobicContact CG1-CG2 4.1Å; V32-A48 HydrophobicContact CB-CB 4.4Å; V32-A48 HydrophobicContact CG1-CB 4.49Å; V32-A48 HydrophobicContact CG2-CB 4.27Å; V32-A53 HydrophobicContact CG2-CB 4.26Å; V32-N54 PolarHBondContact N-O 3.48Å; V32-V55 VanDerWaalsContact O-CA 3.31Å; V32-V55 WeakPolarHBondContact O-CA 3.35Å; V32-T56 PolarHBondContact O-N 3.36Å; V32-A224 WeakPolarHBondContact CA-O 3.42Å; V32-V226 HydrophobicContact CG1-CG2 3.81Å; V32-A500 HydrophobicContact CG1-CB 3.99Å; V32-A500 HydrophobicContact CG2-CB 4.14Å; V32-A501 HydrophobicContact CG2-CB 4.19Å |
| 33 | V | 97.8 | Very high | 83 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 128.2 | 165.4 | 168.4 | 0 | 0 | 0 | 0 | 109.6 | P30 V35 T56 I58 V207 I220 A222 A224 V225 V226 | P30-V33 HydrophobicContact CB-CG2 4.31Å; P30-V33 HydrophobicContact CG-CG2 3.63Å; V33-V35 HydrophobicContact CG1-CG2 4.06Å; V33-T56 WeakPolarHBondContact CA-O 3.39Å; V33-I58 HydrophobicContact CG1-CD1 3.49Å; V33-I58 VanDerWaalsContact CG1-CD1 3.49Å; V33-I58 HydrophobicContact CG1-CG1 4.38Å; V33-V207 HydrophobicContact CG1-CG1 4.22Å; V33-V207 HydrophobicContact CG1-CG2 3.83Å; V33-I220 HydrophobicContact CG2-CG2 3.74Å; V33-A222 HydrophobicContact CB-CB 4.11Å; V33-A222 HydrophobicContact CG2-CB 3.58Å; V33-A224 PolarHBondContact N-O 3.46Å; V33-V225 HydrophobicContact CB-CG2 4.47Å; V33-V225 CarbonylContact O-C 3.59Å; V33-V225 WeakPolarHBondContact O-CA 3.26Å; V33-V226 PolarHBondContact O-N 3.4Å |
| 34 | V | 98.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 128.9 | 174.4 | -176.3 | 0 | 0 | 0 | 0 | 109.1 | V32 A44 V55 T56 L57 I58 V226 T228 | V32-V34 HydrophobicContact CG1-CG2 4.1Å; V34-A44 HydrophobicContact CG1-CB 4.15Å; V34-A44 HydrophobicContact CG2-CB 4.28Å; V34-V55 HydrophobicContact CG2-CG1 3.99Å; V34-T56 PolarHBondContact N-O 3.3Å; V34-L57 HydrophobicContact CB-CD1 3.75Å; V34-L57 HydrophobicContact CG1-CD1 3.63Å; V34-I58 PolarHBondContact O-N 3.41Å; V34-V226 WeakPolarHBondContact CA-O 3Å; V34-V226 HydrophobicContact CG1-CB 4.49Å; V34-V226 HydrophobicContact CG2-CB 4.27Å; V34-V226 HydrophobicContact CG2-CG2 4.39Å; V34-T228 HydrophobicContact CG1-CG2 4.48Å; V34-T228 WeakPolarHBondContact CG1-OG1 3.15Å |
| 35 | V | 98.8 | Very high | 89.2 | Confident | 7 Ų | 7 | 25.8 Ų | 25.8 | 4% | 0.042 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 109.6 | -175.1 | -171.1 | 0 | 0 | 0 | 0 | 111.2 | V33 A194 V207 V225 V226 L227 T228 T229 M267 | V33-V35 HydrophobicContact CG1-CG2 4.06Å; V35-A194 HydrophobicContact CG1-CB 3.51Å; V35-A194 HydrophobicContact CG2-CB 4.16Å; V35-V207 HydrophobicContact CG2-CG1 4.07Å; V35-V225 HydrophobicContact CG2-CG1 4.05Å; V35-V226 PolarHBondContact N-O 3.13Å; V35-L227 HydrophobicContact CB-CD2 4.06Å; V35-L227 HydrophobicContact CG2-CD2 4.1Å; V35-T228 CarbonylContact O-C 2.96Å; V35-T228 WeakPolarHBondContact O-CA 3.28Å; V35-T228 PolarHBondContact O-N 3.19Å; V35-T228 PolarHBondContact O-OG1 3.47Å; V35-T229 HydrophobicContact CB-CG2 4.29Å; V35-T229 HydrophobicContact CG1-CG2 3.72Å; V35-T229 WeakPolarHBondContact O-CG2 3.42Å; V35-T229 PolarHBondContact O-N 3.25Å; V35-M267 HydrophobicContact CG1-CE 4.33Å |
| 36 | G | 98.7 | Very high | 91.7 | Very high | 10 Ų | 10 | 22.6 Ų | 22.6 | 10% | 0.103 | 14% | 0.135 | C | C | . | . | trans | 102.4 | 115.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | G38 G41 I58 T228 | G36-G38 VanDerWaalsContact C-N 3.28Å; G36-G38 PolarHBondContact O-N 2.94Å; G36-G41 WeakPolarHBondContact O-CA 3.22Å; G36-I58 VanDerWaalsContact CA-O 3.31Å; G36-I58 WeakPolarHBondContact CA-O 3.31Å; G36-I58 PolarHBondContact N-O 3.27Å; G36-T228 PolarHBondContact O-OG1 3.16Å | ||
| 37 | A | 98.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -93.2 | 36.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L57 E59 I64 G65 | A37-L57 HydrophobicContact CB-CD1 4.06Å; A37-L57 HydrophobicContact CB-CD2 3.81Å; A37-L57 HydrophobicContact CB-CG 3.97Å; A37-E59 WeakPolarHBondContact CA-OE2 3.3Å; A37-E59 HydrophobicContact CB-CB 3.72Å; A37-E59 HydrophobicContact CB-CG 4Å; A37-E59 WeakPolarHBondContact CB-OE2 3.09Å; A37-E59 PolarHBondContact N-OE2 2.89Å; A37-I64 HydrophobicContact CB-CB 3.94Å; A37-I64 HydrophobicContact CB-CG2 3.56Å; A37-G65 WeakPolarHBondContact O-CA 3.45Å; A37-G65 PolarHBondContact O-N 3.41Å | ||
| 38 | G | 98.5 | Very high | 95.5 | Very high | 13 Ų | 13 | 11.6 Ų | 11.6 | 13% | 0.134 | 7% | 0.071 | C | C | . | . | B | Isolated β-bridge | trans | -67.9 | -178.2 | 160.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | G36 A40 G41 I42 | G36-G38 VanDerWaalsContact C-N 3.28Å; G36-G38 PolarHBondContact O-N 2.94Å; G38-A40 VanDerWaalsContact C-N 3.27Å; G38-A40 PolarHBondContact O-N 3.02Å; G38-G41 PolarHBondContact O-N 3.14Å; G38-G41 VanDerWaalsContact O-N 3.14Å; G38-I42 WeakPolarHBondContact O-CG1 3.4Å; G38-I42 PolarHBondContact O-N 2.81Å |
| 39 | L | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -58 | -39.5 | -178.6 | -177.8 | 60.4 | 0 | 0 | 0 | 112.5 | G41 I42 C43 S68 L165 V166 Y169 L486 C489 I490 | L39-G41 PolarHBondContact O-N 3.1Å; L39-I42 PolarHBondContact O-N 3.39Å; L39-C43 WeakPolarHBondContact O-CB 3.27Å; L39-C43 PolarHBondContact O-N 2.81Å; L39-C43 PolarHBondContact O-SG 2.79Å; L39-S68 VanDerWaalsContact CB-CB 3.47Å; L39-S68 VanDerWaalsContact CB-OG 3.3Å; L39-S68 WeakPolarHBondContact CB-OG 3.22Å; L39-S68 PolarHBondContact N-OG 3.09Å; L39-L165 HydrophobicContact CD1-CB 4.2Å; L39-L165 HydrophobicContact CD2-CB 4.26Å; L39-L165 HydrophobicContact CD2-CD1 4.3Å; L39-V166 HydrophobicContact CB-CG2 4.31Å; L39-Y169 HydrophobicContact CD1-CD2 3.78Å; L39-Y169 HydrophobicContact CD1-CE2 4.45Å; L39-Y169 HydrophobicContact CD1-CG 4.25Å; L39-L486 HydrophobicContact CD2-CB 4.46Å; L39-L486 HydrophobicContact CD2-CD2 3.62Å; L39-C489 HydrophobicContact CB-CB 4.01Å; L39-C489 HydrophobicContact CD2-CB 4.06Å; L39-C489 HydrophobicContact CG-CB 3.97Å; L39-I490 HydrophobicContact CD1-CG1 4.25Å; L39-I490 HydrophobicContact CD2-CD1 4.14Å; L39-I490 HydrophobicContact CD2-CG1 3.87Å; L39-I490 HydrophobicContact CG-CG1 4.02Å |
| 40 | A | 98.9 | Very high | 97.1 | Very high | 6 Ų | 6 | 9.5 Ų | 9.5 | 5% | 0.05 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -62 | -43.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G38 C43 A44 T228 C489 G493 | G38-A40 VanDerWaalsContact C-N 3.27Å; G38-A40 PolarHBondContact O-N 3.02Å; A40-C43 PolarHBondContact O-N 3.16Å; A40-A44 WeakPolarHBondContact O-CB 3.28Å; A40-A44 PolarHBondContact O-N 2.96Å; A40-T228 HydrophobicContact CB-CG2 3.92Å; A40-C489 WeakPolarHBondContact CA-O 3.34Å; A40-C489 HydrophobicContact CB-CB 3.96Å; A40-G493 WeakPolarHBondContact O-CA 3.4Å |
| 41 | G | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -69.5 | -36.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | G36 G38 L39 A44 T45 T228 | G36-G41 WeakPolarHBondContact O-CA 3.22Å; G38-G41 PolarHBondContact O-N 3.14Å; G38-G41 VanDerWaalsContact O-N 3.14Å; L39-G41 PolarHBondContact O-N 3.1Å; G41-A44 PolarHBondContact O-N 3.49Å; G41-T45 WeakPolarHBondContact O-CB 3.47Å; G41-T45 PolarHBondContact O-N 3.23Å; G41-T45 PolarHBondContact O-OG1 3.1Å; G41-T228 WeakPolarHBondContact CA-OG1 3.32Å |
| 42 | I | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.1 | -43.7 | 172.9 | -62.5 | 166.1 | 0 | 0 | 0 | 110.1 | G38 L39 T45 L46 I64 V166 Y170 V173 | G38-I42 WeakPolarHBondContact O-CG1 3.4Å; G38-I42 PolarHBondContact O-N 2.81Å; L39-I42 PolarHBondContact O-N 3.39Å; I42-T45 WeakPolarHBondContact O-CB 3.25Å; I42-T45 PolarHBondContact O-N 3Å; I42-L46 PolarHBondContact O-N 2.99Å; I42-I64 HydrophobicContact CD1-CD1 4.06Å; I42-V166 HydrophobicContact CD1-CB 4.42Å; I42-V166 HydrophobicContact CD1-CG1 3.75Å; I42-Y170 HydrophobicContact CG2-CD2 4.48Å; I42-V173 HydrophobicContact CG2-CG2 3.93Å; I42-V173 WeakPolarHBondContact O-CG2 3.36Å |
| 43 | C | 98.8 | Very high | 96.7 | Very high | 2 Ų | 2 | 17.9 Ų | 17.9 | 1% | 0.014 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.4 | -35.5 | 176.5 | -66.8 | 0 | 0 | 0 | 0 | 112.8 | L39 A40 L46 G47 Y169 | L39-C43 WeakPolarHBondContact O-CB 3.27Å; L39-C43 PolarHBondContact O-N 2.81Å; L39-C43 PolarHBondContact O-SG 2.79Å; A40-C43 PolarHBondContact O-N 3.16Å; C43-L46 PolarHBondContact O-N 2.87Å; C43-G47 PolarHBondContact O-N 3.45Å; C43-Y169 VanDerWaalsContact SG-CD1 3.51Å |
| 44 | A | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.4 | -42.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | V34 A40 G41 L46 G47 A48 V226 G493 G497 | V34-A44 HydrophobicContact CG1-CB 4.15Å; V34-A44 HydrophobicContact CG2-CB 4.28Å; A40-A44 WeakPolarHBondContact O-CB 3.28Å; A40-A44 PolarHBondContact O-N 2.96Å; G41-A44 PolarHBondContact O-N 3.49Å; A44-L46 PolarHBondContact O-N 2.59Å; A44-G47 PolarHBondContact O-N 3.32Å; A44-A48 WeakPolarHBondContact O-CB 3.25Å; A44-A48 PolarHBondContact O-N 2.86Å; A44-V226 HydrophobicContact CB-CG1 4.12Å; A44-G493 WeakPolarHBondContact CA-O 3.4Å; A44-G493 WeakPolarHBondContact CB-O 3.43Å; A44-G493 PolarHBondContact N-O 2.82Å; A44-G497 WeakPolarHBondContact O-CA 3.36Å |
| 45 | T | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58.5 | -49 | 173.9 | -59.4 | 0 | 0 | 0 | 0 | 110.7 | G41 I42 G47 A48 L49 V55 V173 F186 | G41-T45 WeakPolarHBondContact O-CB 3.47Å; G41-T45 PolarHBondContact O-N 3.23Å; G41-T45 PolarHBondContact O-OG1 3.1Å; I42-T45 WeakPolarHBondContact O-CB 3.25Å; I42-T45 PolarHBondContact O-N 3Å; T45-G47 VanDerWaalsContact C-N 3.35Å; T45-G47 PolarHBondContact O-N 3.09Å; T45-A48 PolarHBondContact O-N 2.99Å; T45-L49 HydrophobicContact CG2-CD1 3.86Å; T45-L49 HydrophobicContact CG2-CG 4.38Å; T45-L49 WeakPolarHBondContact O-CB 3.37Å; T45-L49 VanDerWaalsContact O-CG 3.28Å; T45-L49 WeakPolarHBondContact O-CG 3.31Å; T45-L49 PolarHBondContact O-N 3.06Å; T45-V55 HydrophobicContact CG2-CB 4.5Å; T45-V55 HydrophobicContact CG2-CG1 3.96Å; T45-V173 HydrophobicContact CG2-CG1 3.71Å; T45-V173 HydrophobicContact CG2-CG2 4.02Å; T45-F186 HydrophobicContact CG2-CD2 3.83Å; T45-F186 HydrophobicContact CG2-CE2 3.45Å; T45-F186 VanDerWaalsContact CG2-CE2 3.45Å; T45-F186 HydrophobicContact CG2-CZ 4.24Å |
| 46 | L | 97.3 | Very high | 96.1 | Very high | 22 Ų | 22 | 19.4 Ų | 19.4 | 12% | 0.115 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.7 | -43.3 | 176.8 | -178.1 | 60.1 | 0 | 0 | 0 | 112.2 | I42 C43 A44 A48 L49 N50 Y169 M172 V173 A176 | I42-L46 PolarHBondContact O-N 2.99Å; C43-L46 PolarHBondContact O-N 2.87Å; A44-L46 PolarHBondContact O-N 2.59Å; L46-A48 PolarHBondContact O-N 2.82Å; L46-L49 PolarHBondContact O-N 2.88Å; L46-N50 WeakPolarHBondContact O-CB 3.18Å; L46-N50 VanDerWaalsContact O-CG 3.22Å; L46-N50 PolarHBondContact O-N 3.45Å; L46-N50 PolarHBondContact O-ND2 3.12Å; L46-Y169 HydrophobicContact CD2-CD1 3.9Å; L46-Y169 HydrophobicContact CD2-CE1 4.3Å; L46-M172 HydrophobicContact CD1-CB 3.93Å; L46-M172 HydrophobicContact CD2-CB 3.73Å; L46-M172 HydrophobicContact CD2-CG 4.44Å; L46-M172 HydrophobicContact CD2-SD 3.81Å; L46-M172 HydrophobicContact CG-CB 4.48Å; L46-V173 HydrophobicContact CB-CG2 3.8Å; L46-A176 HydrophobicContact CD1-CB 3.9Å |
| 47 | G | 96.6 | Very high | 96.1 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 2% | 0.021 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.9 | -45.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | C43 A44 T45 | C43-G47 PolarHBondContact O-N 3.45Å; A44-G47 PolarHBondContact O-N 3.32Å; T45-G47 VanDerWaalsContact C-N 3.35Å; T45-G47 PolarHBondContact O-N 3.09Å |
| 48 | A | 95.7 | Very high | 96 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -70 | -42.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V32 A44 T45 L46 N50 Q51 A53 V55 G497 A501 | V32-A48 HydrophobicContact CB-CB 4.4Å; V32-A48 HydrophobicContact CG1-CB 4.49Å; V32-A48 HydrophobicContact CG2-CB 4.27Å; A44-A48 WeakPolarHBondContact O-CB 3.25Å; A44-A48 PolarHBondContact O-N 2.86Å; T45-A48 PolarHBondContact O-N 2.99Å; L46-A48 PolarHBondContact O-N 2.82Å; A48-N50 VanDerWaalsContact C-N 3.28Å; A48-N50 PolarHBondContact O-N 3.29Å; A48-Q51 CarbonylContact O-C 3.56Å; A48-Q51 WeakPolarHBondContact O-CA 3.28Å; A48-Q51 WeakPolarHBondContact O-CB 3.49Å; A48-Q51 PolarHBondContact O-N 3.46Å; A48-A53 HydrophobicContact CB-CB 4.32Å; A48-A53 WeakPolarHBondContact O-CB 3.37Å; A48-A53 PolarHBondContact O-N 2.92Å; A48-V55 HydrophobicContact CB-CG2 3.6Å; A48-G497 WeakPolarHBondContact CA-O 3.48Å; A48-G497 WeakPolarHBondContact CB-O 3.4Å; A48-A501 HydrophobicContact CB-CB 4.07Å |
| 49 | L | 94.1 | Very high | 96 | Very high | 4 Ų | 4 | 19 Ų | 19 | 2% | 0.021 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.5 | -36.1 | 176.3 | -72.2 | 171.9 | 0 | 0 | 0 | 112.2 | T45 L46 Q51 N52 V55 V173 A176 A177 H185 F186 | T45-L49 HydrophobicContact CG2-CD1 3.86Å; T45-L49 HydrophobicContact CG2-CG 4.38Å; T45-L49 WeakPolarHBondContact O-CB 3.37Å; T45-L49 VanDerWaalsContact O-CG 3.28Å; T45-L49 WeakPolarHBondContact O-CG 3.31Å; T45-L49 PolarHBondContact O-N 3.06Å; L46-L49 PolarHBondContact O-N 2.88Å; L49-Q51 PolarHBondContact O-N 3.4Å; L49-N52 WeakPolarHBondContact O-CA 3.33Å; L49-N52 PolarHBondContact O-N 3.27Å; L49-V55 HydrophobicContact CD2-CB 4.26Å; L49-V55 HydrophobicContact CD2-CG2 3.89Å; L49-V55 HydrophobicContact CG-CB 4.47Å; L49-V55 HydrophobicContact CG-CG2 3.97Å; L49-V173 HydrophobicContact CD1-CG1 3.83Å; L49-A176 HydrophobicContact CB-CB 4.06Å; L49-A176 HydrophobicContact CD1-CB 4.32Å; L49-A177 HydrophobicContact CD1-CB 4.32Å; L49-H185 HydrophobicContact CD2-CB 4.49Å; L49-F186 HydrophobicContact CD1-CB 4.45Å; L49-F186 HydrophobicContact CD1-CD2 4.35Å; L49-F186 HydrophobicContact CD1-CG 4.37Å; L49-F186 HydrophobicContact CD2-CB 4.11Å |
| 50 | N | 92.5 | Very high | 95.9 | Very high | 97 Ų | 97 | 21.2 Ų | 21.2 | 52% | 0.519 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -11.8 | 174.6 | -73.2 | -20.8 | 0 | 0 | 0 | 113.5 | L46 A48 | L46-N50 WeakPolarHBondContact O-CB 3.18Å; L46-N50 VanDerWaalsContact O-CG 3.22Å; L46-N50 PolarHBondContact O-N 3.45Å; L46-N50 PolarHBondContact O-ND2 3.12Å; A48-N50 VanDerWaalsContact C-N 3.28Å; A48-N50 PolarHBondContact O-N 3.29Å |
| 51 | Q | 91.3 | Very high | 95.7 | Very high | 94 Ų | 94 | 24.4 Ų | 24.4 | 44% | 0.439 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 10.8 | 169.3 | -59 | -56.4 | -47.1 | 0 | 0 | 112.5 | A48 L49 A53 V498 A501 | A48-Q51 CarbonylContact O-C 3.56Å; A48-Q51 WeakPolarHBondContact O-CA 3.28Å; A48-Q51 WeakPolarHBondContact O-CB 3.49Å; A48-Q51 PolarHBondContact O-N 3.46Å; L49-Q51 PolarHBondContact O-N 3.4Å; Q51-A53 VanDerWaalsContact C-N 3.26Å; Q51-A53 PolarHBondContact O-N 3.38Å; Q51-V498 HydrophobicContact CG-CB 4.49Å; Q51-V498 HydrophobicContact CG-CG1 4.25Å; Q51-V498 HydrophobicContact CG-CG2 4.44Å; Q51-A501 HydrophobicContact CB-CB 3.61Å; Q51-A501 HydrophobicContact CG-CB 4.02Å |
| 52 | N | 89.8 | Confident | 95.5 | Very high | 112 Ų | 112 | 28.5 Ų | 28.5 | 60% | 0.599 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 27 | -176.4 | -49.9 | -63.2 | 0 | 0 | 0 | 114.5 | L49 | L49-N52 WeakPolarHBondContact O-CA 3.33Å; L49-N52 PolarHBondContact O-N 3.27Å |
| 53 | A | 91 | Very high | 95.4 | Very high | 6 Ų | 6 | 31.4 Ų | 31.4 | 5% | 0.05 | 18% | 0.178 | C | C | . | . | trans | -78.2 | 148.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | D31 V32 A48 Q51 V55 A501 | D31-A53 HydrophobicContact CB-CB 4.21Å; V32-A53 HydrophobicContact CG2-CB 4.26Å; A48-A53 HydrophobicContact CB-CB 4.32Å; A48-A53 WeakPolarHBondContact O-CB 3.37Å; A48-A53 PolarHBondContact O-N 2.92Å; Q51-A53 VanDerWaalsContact C-N 3.26Å; Q51-A53 PolarHBondContact O-N 3.38Å; A53-V55 HydrophobicContact CB-CG2 4.3Å; A53-A501 HydrophobicContact CB-CB 3.71Å | ||
| 54 | N | 91.7 | Very high | 95.4 | Very high | 26 Ų | 26 | 33.5 Ų | 33.5 | 14% | 0.139 | 19% | 0.189 | C | C | . | . | trans | -71.9 | 119.9 | 161.9 | -63.1 | -78.8 | 0 | 0 | 0 | 109.3 | I28 P30 D31 V32 H185 | I28-N54 HydrophobicContact CG2-CB 4.29Å; I28-N54 WeakPolarHBondContact CG2-OD1 3.38Å; P30-N54 CarbonylContact C-O 3.51Å; D31-N54 PolarHBondContact N-O 3.21Å; D31-N54 WeakPolarHBondContact OD2-CB 3.4Å; D31-N54 PolarHBondContact OD2-N 3.07Å; D31-N54 PolarHBondContact OD2-ND2 3.17Å; V32-N54 PolarHBondContact N-O 3.48Å; N54-H185 CarbonylContact C-O 3.53Å; N54-H185 WeakPolarHBondContact CA-O 3.33Å; N54-H185 VanDerWaalsContact CG-ND1 3.27Å; N54-H185 PolarHBondContact OD1-ND1 2.95Å | ||
| 55 | V | 94.8 | Very high | 95.3 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.012 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 128.6 | -175.7 | -170.3 | 0 | 0 | 0 | 0 | 111.4 | V32 V34 T45 A48 L49 A53 H185 F186 R187 | V32-V55 VanDerWaalsContact O-CA 3.31Å; V32-V55 WeakPolarHBondContact O-CA 3.35Å; V34-V55 HydrophobicContact CG2-CG1 3.99Å; T45-V55 HydrophobicContact CG2-CB 4.5Å; T45-V55 HydrophobicContact CG2-CG1 3.96Å; A48-V55 HydrophobicContact CB-CG2 3.6Å; L49-V55 HydrophobicContact CD2-CB 4.26Å; L49-V55 HydrophobicContact CD2-CG2 3.89Å; L49-V55 HydrophobicContact CG-CB 4.47Å; L49-V55 HydrophobicContact CG-CG2 3.97Å; A53-V55 HydrophobicContact CB-CG2 4.3Å; V55-H185 PolarHBondContact N-O 3.17Å; V55-F186 HydrophobicContact CB-CD2 4.46Å; V55-F186 WeakPolarHBondContact O-CA 3.06Å; V55-R187 PolarHBondContact O-N 3.49Å |
| 56 | T | 95.8 | Very high | 95.2 | Very high | 11 Ų | 11 | 34.4 Ų | 34.4 | 7% | 0.067 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 116.4 | 163.1 | -65.4 | 0 | 0 | 0 | 0 | 109.5 | V32 V33 V34 I58 R187 L189 I220 | V32-T56 PolarHBondContact O-N 3.36Å; V33-T56 WeakPolarHBondContact CA-O 3.39Å; V34-T56 PolarHBondContact N-O 3.3Å; T56-I58 HydrophobicContact CG2-CG1 4.14Å; T56-R187 CarbonylContact C-O 3.58Å; T56-R187 WeakPolarHBondContact CA-O 3.42Å; T56-R187 HydrophobicContact CG2-CB 4.5Å; T56-L189 HydrophobicContact CG2-CD1 3.76Å; T56-L189 HydrophobicContact CG2-CG 4.1Å; T56-I220 HydrophobicContact CG2-CD1 4.5Å |
| 57 | L | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 124 | 172.7 | 177.2 | 59.5 | 0 | 0 | 0 | 109.6 | V34 A37 F186 R187 L188 L189 | V34-L57 HydrophobicContact CB-CD1 3.75Å; V34-L57 HydrophobicContact CG1-CD1 3.63Å; A37-L57 HydrophobicContact CB-CD1 4.06Å; A37-L57 HydrophobicContact CB-CD2 3.81Å; A37-L57 HydrophobicContact CB-CG 3.97Å; L57-F186 HydrophobicContact CB-CE2 3.9Å; L57-F186 HydrophobicContact CB-CZ 4.46Å; L57-R187 PolarHBondContact N-O 3.47Å; L57-L188 HydrophobicContact CB-CD1 4.26Å; L57-L188 HydrophobicContact CD2-CD1 4.03Å; L57-L188 HydrophobicContact CG-CD1 3.93Å; L57-L188 CarbonylContact O-C 3.53Å; L57-L188 WeakPolarHBondContact O-CA 3.4Å; L57-L189 PolarHBondContact O-N 2.98Å |
| 58 | I | 97.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 133.4 | -178.7 | -62.3 | 164.3 | 0 | 0 | 0 | 109.2 | V33 V34 G36 T56 L189 T192 V207 V209 I220 | V33-I58 HydrophobicContact CG1-CD1 3.49Å; V33-I58 VanDerWaalsContact CG1-CD1 3.49Å; V33-I58 HydrophobicContact CG1-CG1 4.38Å; V34-I58 PolarHBondContact O-N 3.41Å; G36-I58 VanDerWaalsContact CA-O 3.31Å; G36-I58 WeakPolarHBondContact CA-O 3.31Å; G36-I58 PolarHBondContact N-O 3.27Å; T56-I58 HydrophobicContact CG2-CG1 4.14Å; I58-L189 CarbonylContact C-O 3.26Å; I58-L189 HydrophobicContact CG1-CB 4.44Å; I58-L189 HydrophobicContact CG1-CD1 4.39Å; I58-T192 HydrophobicContact CG2-CG2 3.95Å; I58-T192 WeakPolarHBondContact CG2-O 3.47Å; I58-V207 HydrophobicContact CD1-CG2 3.76Å; I58-V209 HydrophobicContact CD1-CG1 3.69Å; I58-I220 HydrophobicContact CD1-CD1 4.15Å |
| 59 | E | 97.8 | Very high | 95.4 | Very high | 13 Ų | 13 | 36.9 Ų | 36.9 | 6% | 0.061 | 22% | 0.216 | C | C | . | . | trans | -133.7 | 129.2 | 175.5 | 178.7 | 47.9 | -105.4 | 0 | 0 | 109.4 | A37 E61 L189 T190 N191 T192 | A37-E59 WeakPolarHBondContact CA-OE2 3.3Å; A37-E59 HydrophobicContact CB-CB 3.72Å; A37-E59 HydrophobicContact CB-CG 4Å; A37-E59 WeakPolarHBondContact CB-OE2 3.09Å; A37-E59 PolarHBondContact N-OE2 2.89Å; E59-E61 HydrophobicContact CG-CB 4.21Å; E59-E61 PolarHBondContact OE1-N 3.01Å; E59-L189 PolarHBondContact N-O 3.42Å; E59-T190 HydrophobicContact CB-CG2 4.34Å; E59-T190 CarbonylContact O-C 3.56Å; E59-T190 VanDerWaalsContact O-C 3.25Å; E59-T190 VanDerWaalsContact O-CA 3.3Å; E59-T190 WeakPolarHBondContact O-CA 3.24Å; E59-N191 PolarHBondContact O-N 3.07Å; E59-T192 CarbonylContact C-O 3.54Å; E59-T192 VanDerWaalsContact C-O 3.26Å; E59-T192 PolarHBondContact O-N 3.04Å; E59-T192 VanDerWaalsContact O-O 3.11Å | ||
| 60 | M | 95.9 | Very high | 95.4 | Very high | 48 Ų | 48 | 41.6 Ų | 41.6 | 24% | 0.236 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -74.7 | -31.6 | 179.2 | 73.5 | 178.9 | 70 | 0 | 0 | 111.2 | N191 T192 A193 V212 | M60-N191 WeakPolarHBondContact O-CA 3.18Å; M60-T192 WeakPolarHBondContact CA-O 3.49Å; M60-T192 PolarHBondContact N-O 3.06Å; M60-A193 HydrophobicContact CB-CB 4.25Å; M60-V212 WeakPolarHBondContact O-CG1 3.3Å |
| 61 | E | 95.6 | Very high | 95.5 | Very high | 73 Ų | 73 | 38 Ų | 38 | 34% | 0.341 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -79.4 | 165.9 | 177.9 | -63.4 | -68.3 | 112.1 | 0 | 0 | 111.7 | E59 A63 T190 N191 Y259 | E59-E61 HydrophobicContact CG-CB 4.21Å; E59-E61 PolarHBondContact OE1-N 3.01Å; E61-A63 PolarHBondContact O-N 2.87Å; E61-T190 WeakPolarHBondContact O-CB 3.44Å; E61-N191 PolarHBondContact O-N 3.08Å; E61-Y259 VanDerWaalsContact CD-CD1 3.48Å; E61-Y259 HydrophobicContact CG-CD1 3.53Å; E61-Y259 HydrophobicContact CG-CE1 4.13Å; E61-Y259 HydrophobicContact CG-CG 4.13Å |
| 62 | S | 95.5 | Very high | 95.5 | Very high | 86 Ų | 86 | 34.3 Ų | 34.3 | 60% | 0.601 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -71.7 | -13.2 | 174.8 | 68.5 | 0 | 0 | 0 | 0 | 113.3 | N191 | S62-N191 VanDerWaalsContact CA-OD1 3.32Å; S62-N191 WeakPolarHBondContact CA-OD1 3.45Å; S62-N191 WeakPolarHBondContact CB-OD1 3.4Å; S62-N191 PolarHBondContact N-OD1 3.13Å |
| 63 | A | 96.2 | Very high | 95.6 | Very high | 61 Ų | 61 | 29.4 Ų | 29.4 | 50% | 0.504 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -142.1 | 148.3 | -176 | 0 | 0 | 0 | 0 | 0 | 111.7 | E61 | E61-A63 PolarHBondContact O-N 2.87Š|
| 64 | I | 98.2 | Very high | 95.8 | Very high | 46 Ų | 46 | 29.3 Ų | 29.3 | 24% | 0.236 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -74.3 | 164.5 | 178.4 | 65.3 | 170 | 0 | 0 | 0 | 112.9 | A37 I42 V166 Y170 L188 | A37-I64 HydrophobicContact CB-CB 3.94Å; A37-I64 HydrophobicContact CB-CG2 3.56Å; I42-I64 HydrophobicContact CD1-CD1 4.06Å; I64-V166 HydrophobicContact CD1-CG1 4.17Å; I64-V166 HydrophobicContact CG1-CG1 4.25Å; I64-Y170 HydrophobicContact CD1-CD1 3.94Å; I64-Y170 HydrophobicContact CD1-CD2 3.45Å; I64-Y170 VanDerWaalsContact CD1-CD2 3.45Å; I64-Y170 HydrophobicContact CD1-CE1 4.38Å; I64-Y170 HydrophobicContact CD1-CE2 3.94Å; I64-Y170 HydrophobicContact CD1-CG 3.44Å; I64-Y170 VanDerWaalsContact CD1-CG 3.44Å; I64-L188 HydrophobicContact CG2-CD1 4.22Å; I64-L188 HydrophobicContact CG2-CD2 3.98Å |
| 65 | G | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.172 | C | C | . | . | B | Isolated β-bridge | trans | 112.5 | -23.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 115 | A37 S68 A69 | A37-G65 WeakPolarHBondContact O-CA 3.45Å; A37-G65 PolarHBondContact O-N 3.41Å; G65-S68 WeakPolarHBondContact O-CB 3.39Å; G65-S68 PolarHBondContact O-N 3.38Å; G65-S68 VanDerWaalsContact O-N 3.13Å; G65-A69 PolarHBondContact O-N 2.85Å |
| 66 | G | 96.8 | Very high | 96.3 | Very high | 18 Ų | 18 | 28 Ų | 28 | 19% | 0.186 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.3 | -141.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S68 A69 Y259 | G66-S68 VanDerWaalsContact C-N 3.25Å; G66-S68 PolarHBondContact O-N 3.46Å; G66-A69 PolarHBondContact O-N 2.96Å; G66-Y259 WeakPolarHBondContact CA-OH 3.45Å; G66-Y259 PolarHBondContact O-OH 2.92Å |
| 67 | N | 97.3 | Very high | 96.4 | Very high | 32 Ų | 32 | 27.4 Ų | 27.4 | 17% | 0.171 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -26.3 | 176.2 | -71.2 | -35.1 | 0 | 0 | 0 | 112.7 | A69 K70 N256 G257 Y259 | N67-A69 PolarHBondContact O-N 3.47Å; N67-K70 WeakPolarHBondContact O-CB 3.14Å; N67-K70 PolarHBondContact O-N 3.12Å; N67-K70 PolarHBondContact OD1-NZ 2.93Å; N67-N256 PolarHBondContact ND2-OD1 2.95Å; N67-G257 PolarHBondContact OD1-N 3.33Å; N67-Y259 PolarHBondContact N-OH 3.21Å |
| 68 | S | 97.9 | Very high | 96.4 | Very high | 19 Ų | 19 | 27.4 Ų | 27.4 | 13% | 0.133 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -57.6 | -39.6 | 177.6 | -48.1 | 0 | 0 | 0 | 0 | 111.3 | L39 G65 G66 K70 A71 G162 | L39-S68 VanDerWaalsContact CB-CB 3.47Å; L39-S68 VanDerWaalsContact CB-OG 3.3Å; L39-S68 WeakPolarHBondContact CB-OG 3.22Å; L39-S68 PolarHBondContact N-OG 3.09Å; G65-S68 WeakPolarHBondContact O-CB 3.39Å; G65-S68 PolarHBondContact O-N 3.38Å; G65-S68 VanDerWaalsContact O-N 3.13Å; G66-S68 VanDerWaalsContact C-N 3.25Å; G66-S68 PolarHBondContact O-N 3.46Å; S68-K70 PolarHBondContact O-N 2.95Å; S68-K70 VanDerWaalsContact O-N 3.16Å; S68-A71 WeakPolarHBondContact O-CB 3.46Å; S68-A71 PolarHBondContact O-N 2.85Å; S68-A71 VanDerWaalsContact O-N 3.13Å; S68-G162 CarbonylContact O-C 3.58Å; S68-G162 WeakPolarHBondContact O-CA 3.37Å |
| 69 | A | 96.7 | Very high | 96.4 | Very high | 26 Ų | 26 | 31.9 Ų | 31.9 | 22% | 0.215 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -63.1 | -21.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | G65 G66 N67 K163 V166 | G65-A69 PolarHBondContact O-N 2.85Å; G66-A69 PolarHBondContact O-N 2.96Å; N67-A69 PolarHBondContact O-N 3.47Å; A69-K163 WeakPolarHBondContact O-CB 3.42Å; A69-K163 PolarHBondContact O-N 2.83Å; A69-V166 HydrophobicContact CB-CG2 4.44Å |
| 70 | K | 94.8 | Very high | 96.5 | Very high | 102 Ų | 102 | 31.3 Ų | 31.3 | 44% | 0.443 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -86.7 | -15.1 | 179.4 | -56.6 | 174 | -174.9 | 166.1 | 0 | 113 | N67 S68 S72 Y259 | N67-K70 WeakPolarHBondContact O-CB 3.14Å; N67-K70 PolarHBondContact O-N 3.12Å; N67-K70 PolarHBondContact OD1-NZ 2.93Å; S68-K70 PolarHBondContact O-N 2.95Å; S68-K70 VanDerWaalsContact O-N 3.16Å; K70-S72 PolarHBondContact O-N 3.06Å; K70-Y259 VanDerWaalsContact CE-OH 3.27Å; K70-Y259 WeakPolarHBondContact CE-OH 3.27Å; K70-Y259 PolarHBondContact NZ-OH 2.91Å; K70-Y259 VanDerWaalsContact NZ-OH 3.08Å |
| 71 | A | 94.6 | Very high | 96.6 | Very high | 23 Ų | 23 | 32.5 Ų | 32.5 | 19% | 0.19 | 19% | 0.193 | C | C | . | . | trans | -65.2 | 127.3 | -174 | 0 | 0 | 0 | 0 | 0 | 111.7 | S68 G162 L486 | S68-A71 WeakPolarHBondContact O-CB 3.46Å; S68-A71 PolarHBondContact O-N 2.85Å; S68-A71 VanDerWaalsContact O-N 3.13Å; A71-G162 PolarHBondContact O-N 3.37Å; A71-L486 HydrophobicContact CB-CD1 4.01Å; A71-L486 HydrophobicContact CB-CD2 3.99Å; A71-L486 HydrophobicContact CB-CG 4.21Å | ||
| 72 | S | 91.3 | Very high | 96.7 | Very high | 15 Ų | 15 | 30.3 Ų | 30.3 | 11% | 0.105 | 18% | 0.184 | C | C | . | . | trans | -124.6 | -12.8 | -170.6 | 55.9 | 0 | 0 | 0 | 0 | 114.1 | K70 R149 P303 | K70-S72 PolarHBondContact O-N 3.06Å; S72-R149 PolarHBondContact O-NH1 3.2Å; S72-P303 WeakPolarHBondContact OG-CG 3.42Å | ||
| 73 | S | 91.6 | Very high | 96.8 | Very high | 10 Ų | 10 | 26.3 Ų | 26.3 | 7% | 0.07 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -78 | -38.5 | -175.2 | -61.4 | 0 | 0 | 0 | 0 | 114 | R149 E304 | S73-R149 VanDerWaalsContact C-NH1 3.26Å; S73-R149 VanDerWaalsContact O-CD 3.31Å; S73-R149 WeakPolarHBondContact O-CD 3.36Å; S73-R149 WeakPolarHBondContact O-CG 3.41Å; S73-R149 PolarHBondContact O-NH1 2.9Å; S73-E304 PolarHBondContact OG-N 3.43Å |
| 74 | G | 95.6 | Very high | 96.9 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | trans | 135.6 | 176.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | T147 H148 G483 L486 | G74-T147 VanDerWaalsContact CA-CG2 3.42Å; G74-H148 CarbonylContact C-O 3.45Å; G74-H148 WeakPolarHBondContact CA-O 3.29Å; G74-G483 WeakPolarHBondContact O-CA 3.48Å; G74-L486 WeakPolarHBondContact O-CD1 3.43Å | ||
| 75 | I | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 141.8 | 178.6 | -175.2 | 171.1 | 0 | 0 | 0 | 109.2 | V123 L133 T147 H148 I161 L165 L486 I487 I490 | I75-V123 HydrophobicContact CD1-CG2 4.12Å; I75-V123 HydrophobicContact CG1-CG2 4.23Å; I75-V123 HydrophobicContact CG2-CG2 4.18Å; I75-L133 HydrophobicContact CG2-CD1 4.15Å; I75-T147 CarbonylContact O-C 3.57Å; I75-T147 WeakPolarHBondContact O-CA 3.45Å; I75-H148 HydrophobicContact CG2-CB 4.03Å; I75-H148 PolarHBondContact N-O 3.46Å; I75-H148 PolarHBondContact O-N 2.78Å; I75-I161 HydrophobicContact CB-CD1 4.22Å; I75-I161 HydrophobicContact CG2-CD1 3.71Å; I75-L165 HydrophobicContact CD1-CD1 4.33Å; I75-L486 HydrophobicContact CB-CB 4.17Å; I75-L486 HydrophobicContact CB-CD1 4.31Å; I75-L486 HydrophobicContact CD1-CB 4.23Å; I75-L486 HydrophobicContact CG1-CB 4Å; I75-I487 HydrophobicContact CD1-CB 4.23Å; I75-I487 HydrophobicContact CD1-CD1 4.23Å; I75-I487 HydrophobicContact CG1-CB 3.93Å; I75-I490 HydrophobicContact CD1-CD1 3.51Å |
| 76 | N | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 143.1 | -178.5 | -68.1 | -22.4 | 0 | 0 | 0 | 112.8 | F95 H142 R146 T147 G482 G483 N484 I487 | N76-F95 HydrophobicContact CB-CE1 4.2Å; N76-F95 HydrophobicContact CB-CE2 4.22Å; N76-F95 HydrophobicContact CB-CZ 3.61Å; N76-H142 PolarHBondContact ND2-CE1 2.96Å; N76-R146 WeakPolarHBondContact CA-O 3.35Å; N76-R146 HydrophobicContact CB-CG 3.92Å; N76-T147 WeakPolarHBondContact OD1-CA 3.5Å; N76-T147 WeakPolarHBondContact OD1-CB 3.46Å; N76-T147 PolarHBondContact OD1-OG1 2.8Å; N76-G482 PolarHBondContact ND2-O 3.15Å; N76-G482 PolarHBondContact OD1-O 3.36Å; N76-G483 VanDerWaalsContact ND2-C 3.27Å; N76-N484 PolarHBondContact ND2-N 3.32Å; N76-N484 PolarHBondContact ND2-OD1 3.35Å; N76-I487 HydrophobicContact CB-CG2 4.38Å |
| 77 | A | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -145.1 | 144.4 | 158.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q83 S119 V123 R146 | A77-Q83 VanDerWaalsContact O-CD 3.25Å; A77-Q83 PolarHBondContact O-NE2 2.9Å; A77-Q83 PolarHBondContact O-OE1 3.39Å; A77-S119 VanDerWaalsContact CA-OG 3.31Å; A77-S119 WeakPolarHBondContact CA-OG 3.38Å; A77-V123 HydrophobicContact CB-CB 3.82Å; A77-V123 HydrophobicContact CB-CG1 4.24Å; A77-V123 HydrophobicContact CB-CG2 3.63Å; A77-R146 PolarHBondContact N-O 2.66Å; A77-R146 VanDerWaalsContact O-CG 3.29Å; A77-R146 WeakPolarHBondContact O-CG 3.47Å | ||
| 78 | C | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -85.3 | 157.3 | 160.8 | 48 | 0 | 0 | 0 | 0 | 109.6 | S80 Q83 C92 F95 A116 S119 A120 | C78-S80 PolarHBondContact O-N 2.88Å; C78-Q83 VanDerWaalsContact C-OE1 3.28Å; C78-C92 HydrophobicContact CB-CB 4.11Å; C78-C92 WeakPolarHBondContact CB-SG 3.28Å; C78-C92 WeakPolarHBondContact SG-CA 3.42Å; C78-C92 WeakPolarHBondContact SG-CB 3.04Å; C78-C92 CovalentContact SG-SG 2.08Å; C78-C92 PolarHBondContact SG-SG 2.93Å; C78-F95 HydrophobicContact CB-CB 3.99Å; C78-F95 HydrophobicContact CB-CD1 3.99Å; C78-F95 HydrophobicContact CB-CG 4.46Å; C78-A116 PolarHBondContact SG-O 3.22Å; C78-S119 PolarHBondContact N-OG 3.36Å; C78-S119 VanDerWaalsContact N-OG 3.11Å; C78-S119 PolarHBondContact SG-OG 3Å; C78-A120 WeakPolarHBondContact O-CB 3.4Å |
| 79 | E | 98 | Very high | 96.8 | Very high | 95 Ų | 95 | 47.8 Ų | 47.8 | 44% | 0.444 | 26% | 0.259 | S | S | . | . | S | Bend | trans | 52.4 | 27.3 | 167.1 | -56.1 | 175.9 | 174.2 | 0 | 0 | 114.6 | Q83 D90 T91 C92 | E79-Q83 VanDerWaalsContact N-OE1 3.15Å; E79-D90 WeakPolarHBondContact CG-O 3.39Å; E79-D90 PolarHBondContact N-O 3.04Å; E79-T91 VanDerWaalsContact OE1-CA 3.23Å; E79-T91 WeakPolarHBondContact OE1-CA 3.45Å; E79-T91 WeakPolarHBondContact OE1-CB 3.47Å; E79-C92 PolarHBondContact OE1-N 3.38Å; E79-C92 VanDerWaalsContact OE1-N 3.14Å |
| 80 | S | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | trans | -74.3 | 160.3 | 179 | 65.7 | 0 | 0 | 0 | 0 | 112 | C78 L82 Q83 M84 H148 | C78-S80 PolarHBondContact O-N 2.88Å; S80-L82 PolarHBondContact O-N 2.81Å; S80-Q83 PolarHBondContact O-N 2.91Å; S80-Q83 VanDerWaalsContact OG-CD 3.29Å; S80-Q83 VanDerWaalsContact OG-CG 3.28Å; S80-Q83 WeakPolarHBondContact OG-CG 3.31Å; S80-Q83 PolarHBondContact OG-N 2.88Å; S80-Q83 PolarHBondContact OG-OE1 2.73Å; S80-M84 PolarHBondContact O-N 3.01Å; S80-H148 PolarHBondContact OG-CE1 3.44Å; S80-H148 PolarHBondContact OG-NE2 3.33Å | ||
| 81 | D | 97.9 | Very high | 97 | Very high | 73 Ų | 73 | 44.8 Ų | 44.8 | 39% | 0.39 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.3 | -40.7 | -179.9 | -68.5 | -10.3 | 0 | 0 | 0 | 111.2 | M84 Q85 N124 | D81-M84 PolarHBondContact O-N 2.81Å; D81-M84 WeakPolarHBondContact OD1-CE 3.47Å; D81-Q85 WeakPolarHBondContact O-CB 3.47Å; D81-Q85 WeakPolarHBondContact O-CG 3.32Å; D81-Q85 PolarHBondContact O-N 3.5Å; D81-Q85 PolarHBondContact O-NE2 3.35Å; D81-N124 VanDerWaalsContact CG-CG 3.48Å; D81-N124 PolarHBondContact N-ND2 2.87Å; D81-N124 PolarHBondContact N-OD1 2.96Å; D81-N124 PolarHBondContact OD1-ND2 3.27Å |
| 82 | L | 97.6 | Very high | 97.2 | Very high | 28 Ų | 28 | 44.4 Ų | 44.4 | 15% | 0.147 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.2 | -39.7 | 178 | -178 | 62.9 | 0 | 0 | 0 | 112.5 | S80 Q85 T86 L133 L136 | S80-L82 PolarHBondContact O-N 2.81Å; L82-Q85 PolarHBondContact O-N 2.93Å; L82-T86 HydrophobicContact CD1-CG2 3.91Å; L82-T86 HydrophobicContact CG-CG2 4.46Å; L82-T86 WeakPolarHBondContact O-CB 3.42Å; L82-T86 WeakPolarHBondContact O-CG2 3.38Å; L82-T86 PolarHBondContact O-N 3.11Å; L82-T86 PolarHBondContact O-OG1 3.41Å; L82-L133 WeakPolarHBondContact CD2-O 3.33Å; L82-L136 HydrophobicContact CD2-CD1 4.05Å; L82-L136 HydrophobicContact CD2-CD2 4.09Å; L82-L136 HydrophobicContact CD2-CG 3.6Å; L82-L136 HydrophobicContact CG-CD1 3.87Å; L82-L136 HydrophobicContact CG-CG 4.01Å |
| 83 | Q | 98.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.1 | -43.5 | 178.2 | -75 | 165.9 | -49.7 | 0 | 0 | 110.8 | A77 C78 E79 S80 T86 G87 V88 D90 L136 K145 | A77-Q83 VanDerWaalsContact O-CD 3.25Å; A77-Q83 PolarHBondContact O-NE2 2.9Å; A77-Q83 PolarHBondContact O-OE1 3.39Å; C78-Q83 VanDerWaalsContact C-OE1 3.28Å; E79-Q83 VanDerWaalsContact N-OE1 3.15Å; S80-Q83 PolarHBondContact O-N 2.91Å; S80-Q83 VanDerWaalsContact OG-CD 3.29Å; S80-Q83 VanDerWaalsContact OG-CG 3.28Å; S80-Q83 WeakPolarHBondContact OG-CG 3.31Å; S80-Q83 PolarHBondContact OG-N 2.88Å; S80-Q83 PolarHBondContact OG-OE1 2.73Å; Q83-T86 CarbonylContact O-C 3.17Å; Q83-T86 PolarHBondContact O-N 3.1Å; Q83-T86 PolarHBondContact O-OG1 3.08Å; Q83-G87 PolarHBondContact O-N 3.47Å; Q83-V88 HydrophobicContact CB-CB 4.09Å; Q83-V88 HydrophobicContact CG-CB 4.21Å; Q83-V88 HydrophobicContact CG-CG1 4.33Å; Q83-V88 PolarHBondContact O-N 2.89Å; Q83-D90 PolarHBondContact NE2-OD2 2.99Å; Q83-L136 HydrophobicContact CG-CD1 3.84Å; Q83-L136 HydrophobicContact CG-CD2 4.36Å; Q83-K145 PolarHBondContact NE2-O 3.35Å |
| 84 | M | 97.4 | Very high | 97.9 | Very high | 123 Ų | 123 | 49.6 Ų | 49.6 | 61% | 0.606 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -60.7 | -47.2 | 174.1 | -67.9 | -173.7 | -78.2 | 0 | 0 | 111.5 | S80 D81 T86 G87 | S80-M84 PolarHBondContact O-N 3.01Å; D81-M84 PolarHBondContact O-N 2.81Å; D81-M84 WeakPolarHBondContact OD1-CE 3.47Å; M84-T86 VanDerWaalsContact C-N 3.27Å; M84-T86 PolarHBondContact O-N 2.88Å; M84-G87 PolarHBondContact O-N 3.35Å |
| 85 | Q | 97.2 | Very high | 98 | Very high | 150 Ų | 150 | 49.5 Ų | 49.5 | 70% | 0.701 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63.7 | -30.4 | 179.3 | -72.8 | 165.9 | 29.5 | 0 | 0 | 113.4 | D81 L82 | D81-Q85 WeakPolarHBondContact O-CB 3.47Å; D81-Q85 WeakPolarHBondContact O-CG 3.32Å; D81-Q85 PolarHBondContact O-N 3.5Å; D81-Q85 PolarHBondContact O-NE2 3.35Å; L82-Q85 PolarHBondContact O-N 2.93Å |
| 86 | T | 96.5 | Very high | 98 | Very high | 80 Ų | 80 | 51.2 Ų | 51.2 | 49% | 0.491 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 7.1 | -178.9 | 57.8 | 0 | 0 | 0 | 0 | 113.4 | L82 Q83 M84 V88 | L82-T86 HydrophobicContact CD1-CG2 3.91Å; L82-T86 HydrophobicContact CG-CG2 4.46Å; L82-T86 WeakPolarHBondContact O-CB 3.42Å; L82-T86 WeakPolarHBondContact O-CG2 3.38Å; L82-T86 PolarHBondContact O-N 3.11Å; L82-T86 PolarHBondContact O-OG1 3.41Å; Q83-T86 CarbonylContact O-C 3.17Å; Q83-T86 PolarHBondContact O-N 3.1Å; Q83-T86 PolarHBondContact O-OG1 3.08Å; M84-T86 VanDerWaalsContact C-N 3.27Å; M84-T86 PolarHBondContact O-N 2.88Å; T86-V88 VanDerWaalsContact C-N 3.26Å; T86-V88 PolarHBondContact O-N 2.87Å |
| 87 | G | 97.4 | Very high | 98 | Very high | 61 Ų | 61 | 54.7 Ų | 54.7 | 63% | 0.629 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 14.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q83 M84 K89 | Q83-G87 PolarHBondContact O-N 3.47Å; M84-G87 PolarHBondContact O-N 3.35Å; G87-K89 PolarHBondContact O-N 2.56Å |
| 88 | V | 97.7 | Very high | 98 | Very high | 32 Ų | 32 | 55 Ų | 55 | 19% | 0.194 | 31% | 0.306 | C | S | . | . | trans | -78.4 | 113.5 | 177.1 | -180 | 0 | 0 | 0 | 0 | 109.6 | Q83 T86 D90 L136 V144 K145 | Q83-V88 HydrophobicContact CB-CB 4.09Å; Q83-V88 HydrophobicContact CG-CB 4.21Å; Q83-V88 HydrophobicContact CG-CG1 4.33Å; Q83-V88 PolarHBondContact O-N 2.89Å; T86-V88 VanDerWaalsContact C-N 3.26Å; T86-V88 PolarHBondContact O-N 2.87Å; V88-D90 HydrophobicContact CG1-CB 4.27Å; V88-D90 PolarHBondContact O-N 2.87Å; V88-D90 VanDerWaalsContact O-N 3.15Å; V88-L136 HydrophobicContact CG2-CD1 4.23Å; V88-V144 HydrophobicContact CG1-CB 4.34Å; V88-K145 HydrophobicContact CG1-CB 4.35Å; V88-K145 WeakPolarHBondContact CG1-O 3.49Å; V88-K145 HydrophobicContact CG2-CB 4.39Å | ||
| 89 | K | 97.2 | Very high | 98 | Very high | 181 Ų | 181 | 55.1 Ų | 55.1 | 79% | 0.787 | 31% | 0.307 | S | S | * | . | trans | -82.6 | 86.4 | 176.7 | -62.8 | -177.3 | -179 | -179.5 | 0 | 110.5 | G87 | G87-K89 PolarHBondContact O-N 2.56Š| ||
| 90 | D | 98.2 | Very high | 98 | Very high | 5 Ų | 5 | 51.2 Ų | 51.2 | 3% | 0.027 | 29% | 0.289 | C | S | . | . | trans | -121.1 | 95 | 177.3 | -174.8 | 20.1 | 0 | 0 | 0 | 110.8 | E79 Q83 V88 V144 R146 | E79-D90 WeakPolarHBondContact CG-O 3.39Å; E79-D90 PolarHBondContact N-O 3.04Å; Q83-D90 PolarHBondContact NE2-OD2 2.99Å; V88-D90 HydrophobicContact CG1-CB 4.27Å; V88-D90 PolarHBondContact O-N 2.87Å; V88-D90 VanDerWaalsContact O-N 3.15Å; D90-V144 HydrophobicContact CB-CG2 3.59Å; D90-V144 VanDerWaalsContact CG-CG2 3.45Å; D90-V144 WeakPolarHBondContact OD1-CG2 3.35Å; D90-R146 VanDerWaalsContact CG-NE 3.32Å; D90-R146 IonicContact OD1-CZ 2.77Å; D90-R146 VanDerWaalsContact OD1-CZ 3.28Å; D90-R146 IonicContact OD1-NE 3.91Å; D90-R146 PolarHBondContact OD1-NE 2.81Å; D90-R146 IonicContact OD1-NH2 2.7Å; D90-R146 PolarHBondContact OD1-NH2 3.48Å; D90-R146 WeakPolarHBondContact OD2-CD 3.19Å; D90-R146 VanDerWaalsContact OD2-CG 3.26Å; D90-R146 WeakPolarHBondContact OD2-CG 3.27Å; D90-R146 IonicContact OD2-CZ 2.72Å; D90-R146 IonicContact OD2-NE 3.63Å; D90-R146 PolarHBondContact OD2-NE 2.97Å; D90-R146 IonicContact OD2-NH2 3.77Å | ||
| 91 | T | 98.4 | Very high | 98 | Very high | 60 Ų | 60 | 56.6 Ų | 56.6 | 37% | 0.368 | 31% | 0.312 | S | S | . | . | trans | -81.3 | 157.4 | 177 | 65.6 | 0 | 0 | 0 | 0 | 110.9 | E79 A93 L94 F95 | E79-T91 VanDerWaalsContact OE1-CA 3.23Å; E79-T91 WeakPolarHBondContact OE1-CA 3.45Å; E79-T91 WeakPolarHBondContact OE1-CB 3.47Å; T91-A93 PolarHBondContact O-N 3.3Å; T91-L94 WeakPolarHBondContact O-CB 3.3Å; T91-L94 PolarHBondContact O-N 3.1Å; T91-L94 PolarHBondContact OG1-N 2.99Å; T91-F95 PolarHBondContact O-N 2.73Å | ||
| 92 | C | 98.5 | Very high | 98 | Very high | 15 Ų | 15 | 53.2 Ų | 53.2 | 10% | 0.101 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.8 | -25.6 | 175.4 | -61.4 | 0 | 0 | 0 | 0 | 112.7 | C78 E79 F95 I96 A116 | C78-C92 HydrophobicContact CB-CB 4.11Å; C78-C92 WeakPolarHBondContact CB-SG 3.28Å; C78-C92 WeakPolarHBondContact SG-CA 3.42Å; C78-C92 WeakPolarHBondContact SG-CB 3.04Å; C78-C92 CovalentContact SG-SG 2.08Å; C78-C92 PolarHBondContact SG-SG 2.93Å; E79-C92 PolarHBondContact OE1-N 3.38Å; E79-C92 VanDerWaalsContact OE1-N 3.14Å; C92-F95 PolarHBondContact O-N 3.07Å; C92-I96 WeakPolarHBondContact O-CB 3.48Å; C92-I96 WeakPolarHBondContact O-CD1 3.2Å; C92-I96 WeakPolarHBondContact O-CG1 3.37Å; C92-I96 PolarHBondContact O-N 3Å; C92-A116 HydrophobicContact CB-CB 4.25Å |
| 93 | A | 98.6 | Very high | 98 | Very high | 71 Ų | 71 | 51.9 Ų | 51.9 | 59% | 0.587 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -62.9 | -42.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T91 N97 | T91-A93 PolarHBondContact O-N 3.3Å; A93-N97 WeakPolarHBondContact O-CB 3.13Å; A93-N97 PolarHBondContact O-N 2.86Å |
| 94 | L | 98.2 | Very high | 97.9 | Very high | 64 Ų | 64 | 56 Ų | 56 | 34% | 0.335 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 174.6 | -74.8 | 173.9 | 0 | 0 | 0 | 111.4 | T91 N97 D98 | T91-L94 WeakPolarHBondContact O-CB 3.3Å; T91-L94 PolarHBondContact O-N 3.1Å; T91-L94 PolarHBondContact OG1-N 2.99Å; L94-N97 PolarHBondContact O-N 3.01Å; L94-D98 PolarHBondContact O-N 2.81Å |
| 95 | F | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 0% | 0.004 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 178 | -173.9 | -166 | 0 | 0 | 0 | 112.6 | N76 C78 T91 C92 N97 D98 T99 L115 A116 R146 L481 N484 | N76-F95 HydrophobicContact CB-CE1 4.2Å; N76-F95 HydrophobicContact CB-CE2 4.22Å; N76-F95 HydrophobicContact CB-CZ 3.61Å; C78-F95 HydrophobicContact CB-CB 3.99Å; C78-F95 HydrophobicContact CB-CD1 3.99Å; C78-F95 HydrophobicContact CB-CG 4.46Å; T91-F95 PolarHBondContact O-N 2.73Å; C92-F95 PolarHBondContact O-N 3.07Å; F95-N97 VanDerWaalsContact C-N 3.33Å; F95-N97 PolarHBondContact O-N 3.08Å; F95-D98 PolarHBondContact O-N 3.19Å; F95-T99 WeakPolarHBondContact CE2-OG1 3.23Å; F95-T99 WeakPolarHBondContact O-CB 3.25Å; F95-T99 PolarHBondContact O-N 3Å; F95-T99 PolarHBondContact O-OG1 3.13Å; F95-L115 HydrophobicContact CE1-CD2 3.77Å; F95-L115 HydrophobicContact CE2-CD2 4.41Å; F95-L115 HydrophobicContact CZ-CD2 3.53Å; F95-A116 HydrophobicContact CB-CB 4.46Å; F95-A116 HydrophobicContact CD1-CB 3.76Å; F95-A116 HydrophobicContact CE1-CB 4.33Å; F95-A116 HydrophobicContact CG-CB 4.28Å; F95-R146 VanDerWaalsContact CE2-CD 3.48Å; F95-R146 VanDerWaalsContact CG-CD 3.43Å; F95-L481 HydrophobicContact CD2-CD2 4.38Å; F95-L481 HydrophobicContact CE2-CD2 4.14Å; F95-N484 WeakPolarHBondContact CE2-OD1 3.24Å; F95-N484 VanDerWaalsContact CZ-OD1 3.22Å; F95-N484 WeakPolarHBondContact CZ-OD1 3.34Å |
| 96 | I | 98.8 | Very high | 98 | Very high | 35 Ų | 35 | 52.5 Ų | 52.5 | 18% | 0.179 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.8 | -47.9 | 173 | -70 | 162.4 | 0 | 0 | 0 | 109.6 | C92 D98 T99 L100 V112 K113 A116 | C92-I96 WeakPolarHBondContact O-CB 3.48Å; C92-I96 WeakPolarHBondContact O-CD1 3.2Å; C92-I96 WeakPolarHBondContact O-CG1 3.37Å; C92-I96 PolarHBondContact O-N 3Å; I96-D98 PolarHBondContact O-N 3.48Å; I96-T99 PolarHBondContact O-N 3.02Å; I96-L100 HydrophobicContact CG2-CD1 3.81Å; I96-L100 HydrophobicContact CG2-CG 4.16Å; I96-L100 WeakPolarHBondContact O-CB 3.48Å; I96-L100 VanDerWaalsContact O-CG 3.28Å; I96-L100 WeakPolarHBondContact O-CG 3.24Å; I96-L100 PolarHBondContact O-N 2.66Å; I96-V112 HydrophobicContact CB-CG1 4.23Å; I96-V112 HydrophobicContact CG1-CG1 4.17Å; I96-V112 HydrophobicContact CG2-CG1 4.01Å; I96-K113 HydrophobicContact CD1-CB 4.19Å; I96-K113 HydrophobicContact CD1-CG 4.16Å; I96-A116 HydrophobicContact CD1-CB 4.26Å; I96-A116 HydrophobicContact CG1-CB 3.69Å |
| 97 | N | 98.6 | Very high | 98.1 | Very high | 73 Ų | 73 | 49.1 Ų | 49.1 | 39% | 0.39 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.2 | -46.7 | -179.3 | -178.4 | 70.3 | 0 | 0 | 0 | 112.8 | A93 L94 F95 T99 L100 K101 | A93-N97 WeakPolarHBondContact O-CB 3.13Å; A93-N97 PolarHBondContact O-N 2.86Å; L94-N97 PolarHBondContact O-N 3.01Å; F95-N97 VanDerWaalsContact C-N 3.33Å; F95-N97 PolarHBondContact O-N 3.08Å; N97-T99 VanDerWaalsContact C-N 3.29Å; N97-T99 PolarHBondContact O-N 2.9Å; N97-L100 PolarHBondContact O-N 3.06Å; N97-K101 WeakPolarHBondContact O-CB 3.31Å; N97-K101 PolarHBondContact O-N 3.15Å |
| 98 | D | 98.4 | Very high | 98.1 | Very high | 8 Ų | 8 | 49.3 Ų | 49.3 | 4% | 0.043 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.4 | -42.2 | 176.4 | -71.2 | -6.3 | 0 | 0 | 0 | 111.2 | L94 F95 I96 K101 A102 S143 R146 L481 | L94-D98 PolarHBondContact O-N 2.81Å; F95-D98 PolarHBondContact O-N 3.19Å; I96-D98 PolarHBondContact O-N 3.48Å; D98-K101 PolarHBondContact O-N 2.86Å; D98-A102 WeakPolarHBondContact O-CB 3.22Å; D98-A102 PolarHBondContact O-N 3Å; D98-S143 WeakPolarHBondContact OD1-CB 3.49Å; D98-S143 PolarHBondContact OD1-OG 2.82Å; D98-S143 PolarHBondContact OD2-N 2.87Å; D98-S143 PolarHBondContact OD2-OG 3.47Å; D98-R146 IonicContact OD2-CZ 2.8Å; D98-R146 VanDerWaalsContact OD2-CZ 3.31Å; D98-R146 IonicContact OD2-NH1 3.16Å; D98-R146 PolarHBondContact OD2-NH1 3.19Å; D98-R146 IonicContact OD2-NH2 3.6Å; D98-R146 PolarHBondContact OD2-NH2 3.01Å; D98-L481 HydrophobicContact CB-CD2 3.83Å |
| 99 | T | 98.5 | Very high | 98.1 | Very high | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.012 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.1 | -43.2 | 179.7 | -59.5 | 0 | 0 | 0 | 0 | 111.7 | F95 I96 N97 A102 G103 N107 V112 N484 | F95-T99 WeakPolarHBondContact CE2-OG1 3.23Å; F95-T99 WeakPolarHBondContact O-CB 3.25Å; F95-T99 PolarHBondContact O-N 3Å; F95-T99 PolarHBondContact O-OG1 3.13Å; I96-T99 PolarHBondContact O-N 3.02Å; N97-T99 VanDerWaalsContact C-N 3.29Å; N97-T99 PolarHBondContact O-N 2.9Å; T99-A102 PolarHBondContact O-N 2.97Å; T99-G103 PolarHBondContact O-N 2.96Å; T99-N107 PolarHBondContact O-ND2 2.82Å; T99-V112 HydrophobicContact CG2-CB 4.5Å; T99-V112 HydrophobicContact CG2-CG1 3.71Å; T99-V112 HydrophobicContact CG2-CG2 3.98Å; T99-N484 WeakPolarHBondContact CG2-ND2 3.35Å; T99-N484 PolarHBondContact OG1-ND2 3.04Å |
| 100 | L | 98.5 | Very high | 98.2 | Very high | 12 Ų | 12 | 52 Ų | 52 | 6% | 0.063 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 175.5 | -68.5 | 178.7 | 0 | 0 | 0 | 111.6 | I96 N97 G103 Q104 Y105 N107 R109 V112 | I96-L100 HydrophobicContact CG2-CD1 3.81Å; I96-L100 HydrophobicContact CG2-CG 4.16Å; I96-L100 WeakPolarHBondContact O-CB 3.48Å; I96-L100 VanDerWaalsContact O-CG 3.28Å; I96-L100 WeakPolarHBondContact O-CG 3.24Å; I96-L100 PolarHBondContact O-N 2.66Å; N97-L100 PolarHBondContact O-N 3.06Å; L100-G103 CarbonylContact O-C 3.3Å; L100-G103 PolarHBondContact O-N 2.99Å; L100-Q104 PolarHBondContact O-N 2.85Å; L100-Q104 VanDerWaalsContact O-N 3.14Å; L100-Y105 HydrophobicContact CB-CD1 3.75Å; L100-Y105 HydrophobicContact CB-CE1 3.89Å; L100-Y105 PolarHBondContact O-N 3.04Å; L100-N107 HydrophobicContact CD2-CB 3.73Å; L100-R109 HydrophobicContact CD1-CG 4.35Å; L100-R109 HydrophobicContact CD2-CG 3.97Å; L100-V112 HydrophobicContact CD2-CB 4.47Å; L100-V112 HydrophobicContact CD2-CG1 4.47Å; L100-V112 HydrophobicContact CD2-CG2 4.09Å |
| 101 | K | 98 | Very high | 98.2 | Very high | 114 Ų | 114 | 52.1 Ų | 52.1 | 50% | 0.496 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 178.5 | -166 | -171.1 | 175 | 178.2 | 0 | 111.4 | N97 D98 G103 Q104 Q327 | N97-K101 WeakPolarHBondContact O-CB 3.31Å; N97-K101 PolarHBondContact O-N 3.15Å; D98-K101 PolarHBondContact O-N 2.86Å; K101-G103 VanDerWaalsContact C-N 3.34Å; K101-Q104 PolarHBondContact O-N 3.02Å; K101-Q327 VanDerWaalsContact C-NE2 3.32Å; K101-Q327 PolarHBondContact O-NE2 2.94Å |
| 102 | A | 97.2 | Very high | 98.2 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 2% | 0.017 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.5 | -40.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | D98 T99 Q104 D479 L481 | D98-A102 WeakPolarHBondContact O-CB 3.22Å; D98-A102 PolarHBondContact O-N 3Å; T99-A102 PolarHBondContact O-N 2.97Å; A102-Q104 PolarHBondContact O-N 3.44Å; A102-Q104 VanDerWaalsContact O-N 3.17Å; A102-D479 CarbonylContact C-O 3.59Å; A102-D479 WeakPolarHBondContact O-CB 3.48Å; A102-L481 HydrophobicContact CB-CB 4.04Å; A102-L481 HydrophobicContact CB-CD1 4.18Å |
| 103 | G | 97.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | 9.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | T99 L100 K101 Y105 M106 N107 H476 Y478 D479 | T99-G103 PolarHBondContact O-N 2.96Å; L100-G103 CarbonylContact O-C 3.3Å; L100-G103 PolarHBondContact O-N 2.99Å; K101-G103 VanDerWaalsContact C-N 3.34Å; G103-Y105 PolarHBondContact O-N 3.49Å; G103-Y105 VanDerWaalsContact O-N 3.08Å; G103-M106 WeakPolarHBondContact O-CB 3.26Å; G103-M106 PolarHBondContact O-N 3.02Å; G103-N107 VanDerWaalsContact CA-OD1 3.31Å; G103-N107 WeakPolarHBondContact CA-OD1 3.31Å; G103-H476 WeakPolarHBondContact CA-O 3.11Å; G103-Y478 WeakPolarHBondContact O-CB 3.5Å; G103-Y478 PolarHBondContact O-N 3.43Å; G103-D479 WeakPolarHBondContact CA-O 3.44Å; G103-D479 PolarHBondContact N-O 3.42Å |
| 104 | Q | 97.3 | Very high | 98.2 | Very high | 88 Ų | 88 | 51.7 Ų | 51.7 | 41% | 0.411 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47 | 35.5 | -172.8 | -57.3 | -172.3 | 7.2 | 0 | 0 | 113.1 | L100 K101 A102 M106 D329 Y478 | L100-Q104 PolarHBondContact O-N 2.85Å; L100-Q104 VanDerWaalsContact O-N 3.14Å; K101-Q104 PolarHBondContact O-N 3.02Å; A102-Q104 PolarHBondContact O-N 3.44Å; A102-Q104 VanDerWaalsContact O-N 3.17Å; Q104-M106 PolarHBondContact O-N 3.3Å; Q104-D329 PolarHBondContact NE2-OD2 3.38Å; Q104-D329 VanDerWaalsContact NE2-OD2 3.1Å; Q104-Y478 HydrophobicContact CB-CG 4.23Å; Q104-Y478 VanDerWaalsContact CD-CD1 3.45Å; Q104-Y478 VanDerWaalsContact CD-CG 3.49Å; Q104-Y478 HydrophobicContact CG-CD1 3.87Å; Q104-Y478 HydrophobicContact CG-CG 3.84Å |
| 105 | Y | 97.9 | Very high | 98.2 | Very high | 124 Ų | 124 | 48.9 Ų | 48.9 | 49% | 0.486 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 11.7 | -178.2 | -52.4 | -84.9 | 0 | 0 | 0 | 115.4 | L100 G103 N107 | L100-Y105 HydrophobicContact CB-CD1 3.75Å; L100-Y105 HydrophobicContact CB-CE1 3.89Å; L100-Y105 PolarHBondContact O-N 3.04Å; G103-Y105 PolarHBondContact O-N 3.49Å; G103-Y105 VanDerWaalsContact O-N 3.08Å; Y105-N107 PolarHBondContact O-N 2.79Å |
| 106 | M | 97.9 | Very high | 98.2 | Very high | 74 Ų | 74 | 48.9 Ų | 48.9 | 37% | 0.365 | 23% | 0.226 | S | C | . | . | trans | -73 | -14.9 | 172.1 | -68.2 | -179.1 | 55.6 | 0 | 0 | 112.5 | G103 Q104 D277 Y478 | G103-M106 WeakPolarHBondContact O-CB 3.26Å; G103-M106 PolarHBondContact O-N 3.02Å; Q104-M106 PolarHBondContact O-N 3.3Å; M106-D277 WeakPolarHBondContact CE-OD1 3.34Å; M106-Y478 HydrophobicContact SD-CD2 3.99Å; M106-Y478 HydrophobicContact SD-CG 4.44Å | ||
| 107 | N | 98.3 | Very high | 98.2 | Very high | 9 Ų | 9 | 52.4 Ų | 52.4 | 5% | 0.048 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -59.8 | 148.1 | -177.6 | -40 | 64 | 0 | 0 | 0 | 112.1 | T99 L100 G103 Y105 R109 V112 G474 T475 H476 | T99-N107 PolarHBondContact O-ND2 2.82Å; L100-N107 HydrophobicContact CD2-CB 3.73Å; G103-N107 VanDerWaalsContact CA-OD1 3.31Å; G103-N107 WeakPolarHBondContact CA-OD1 3.31Å; Y105-N107 PolarHBondContact O-N 2.79Å; N107-R109 PolarHBondContact O-N 2.77Å; N107-R109 VanDerWaalsContact O-N 3.13Å; N107-V112 HydrophobicContact CB-CG2 3.57Å; N107-G474 CarbonylContact C-O 3.54Å; N107-G474 WeakPolarHBondContact CA-O 3.35Å; N107-T475 PolarHBondContact ND2-O 3.36Å; N107-H476 WeakPolarHBondContact ND2-CA 3.37Å; N107-H476 PolarHBondContact ND2-O 2.95Å |
| 108 | N | 98.2 | Very high | 98.2 | Very high | 65 Ų | 65 | 52.2 Ų | 52.2 | 35% | 0.348 | 24% | 0.235 | S | C | . | . | trans | -69 | 107.2 | 158.3 | -175.4 | -31.3 | 0 | 0 | 0 | 109.6 | L110 L111 V112 G474 | N108-L110 PolarHBondContact O-N 2.81Å; N108-L110 WeakPolarHBondContact OD1-CB 3.08Å; N108-L110 PolarHBondContact OD1-N 2.88Å; N108-L111 HydrophobicContact CB-CB 4.28Å; N108-L111 HydrophobicContact CB-CD1 3.99Å; N108-L111 HydrophobicContact CB-CG 4.04Å; N108-L111 PolarHBondContact O-N 2.95Å; N108-L111 VanDerWaalsContact O-N 3.08Å; N108-L111 PolarHBondContact OD1-N 2.75Å; N108-V112 PolarHBondContact O-N 2.83Å; N108-V112 VanDerWaalsContact O-N 3.1Å; N108-G474 PolarHBondContact N-O 3.09Å | ||
| 109 | R | 98.3 | Very high | 98.2 | Very high | 161 Ų | 161 | 51.8 Ų | 51.8 | 61% | 0.608 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -57.4 | -31.2 | -177.7 | -66.3 | -176 | 173.4 | -148.9 | -1.3 | 113.8 | L100 N107 K113 | L100-R109 HydrophobicContact CD1-CG 4.35Å; L100-R109 HydrophobicContact CD2-CG 3.97Å; N107-R109 PolarHBondContact O-N 2.77Å; N107-R109 VanDerWaalsContact O-N 3.13Å; R109-K113 VanDerWaalsContact O-CB 3.32Å; R109-K113 WeakPolarHBondContact O-CB 3.31Å; R109-K113 PolarHBondContact O-N 3.35Å |
| 110 | L | 98.3 | Very high | 98.2 | Very high | 109 Ų | 109 | 52.6 Ų | 52.6 | 57% | 0.571 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -70.2 | -39.4 | 178.3 | -63.4 | 176.3 | 0 | 0 | 0 | 111.4 | N108 K113 L114 T450 | N108-L110 PolarHBondContact O-N 2.81Å; N108-L110 WeakPolarHBondContact OD1-CB 3.08Å; N108-L110 PolarHBondContact OD1-N 2.88Å; L110-K113 PolarHBondContact O-N 2.75Å; L110-L114 WeakPolarHBondContact O-CB 3.49Å; L110-L114 PolarHBondContact O-N 3.38Å; L110-T450 HydrophobicContact CB-CG2 3.72Å; L110-T450 HydrophobicContact CD1-CG2 4.44Å |
| 111 | L | 98.6 | Very high | 98.1 | Very high | 8 Ų | 8 | 55.8 Ų | 55.8 | 4% | 0.042 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.3 | -40 | 175.7 | -62.4 | -178.2 | 0 | 0 | 0 | 111.5 | N108 L114 L115 T450 M452 | N108-L111 HydrophobicContact CB-CB 4.28Å; N108-L111 HydrophobicContact CB-CD1 3.99Å; N108-L111 HydrophobicContact CB-CG 4.04Å; N108-L111 PolarHBondContact O-N 2.95Å; N108-L111 VanDerWaalsContact O-N 3.08Å; N108-L111 PolarHBondContact OD1-N 2.75Å; L111-L114 PolarHBondContact O-N 2.86Å; L111-L115 WeakPolarHBondContact O-CB 3.36Å; L111-L115 PolarHBondContact O-N 3.4Å; L111-T450 HydrophobicContact CD2-CG2 4.37Å; L111-M452 HydrophobicContact CD2-CE 3.83Å |
| 112 | V | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.7 | -44.5 | 174.9 | 177.8 | 0 | 0 | 0 | 0 | 111.3 | I96 T99 L100 N107 N108 L115 A116 T475 | I96-V112 HydrophobicContact CB-CG1 4.23Å; I96-V112 HydrophobicContact CG1-CG1 4.17Å; I96-V112 HydrophobicContact CG2-CG1 4.01Å; T99-V112 HydrophobicContact CG2-CB 4.5Å; T99-V112 HydrophobicContact CG2-CG1 3.71Å; T99-V112 HydrophobicContact CG2-CG2 3.98Å; L100-V112 HydrophobicContact CD2-CB 4.47Å; L100-V112 HydrophobicContact CD2-CG1 4.47Å; L100-V112 HydrophobicContact CD2-CG2 4.09Å; N107-V112 HydrophobicContact CB-CG2 3.57Å; N108-V112 PolarHBondContact O-N 2.83Å; N108-V112 VanDerWaalsContact O-N 3.1Å; V112-L115 PolarHBondContact O-N 3.16Å; V112-A116 PolarHBondContact O-N 2.82Å; V112-T475 WeakPolarHBondContact CG2-O 3.35Å |
| 113 | K | 98.6 | Very high | 98.2 | Very high | 99 Ų | 99 | 51.4 Ų | 51.4 | 43% | 0.43 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.7 | -49.1 | 176.2 | -178.6 | 178 | 177.8 | -177.2 | 0 | 111.1 | I96 R109 L110 L115 A116 E117 | I96-K113 HydrophobicContact CD1-CB 4.19Å; I96-K113 HydrophobicContact CD1-CG 4.16Å; R109-K113 VanDerWaalsContact O-CB 3.32Å; R109-K113 WeakPolarHBondContact O-CB 3.31Å; R109-K113 PolarHBondContact O-N 3.35Å; L110-K113 PolarHBondContact O-N 2.75Å; K113-L115 VanDerWaalsContact C-N 3.3Å; K113-L115 PolarHBondContact O-N 3.29Å; K113-A116 PolarHBondContact O-N 2.94Å; K113-E117 WeakPolarHBondContact CE-OE1 3.21Å; K113-E117 WeakPolarHBondContact CE-OE2 3.1Å; K113-E117 HydrophobicContact CG-CG 4.22Å; K113-E117 IonicContact NZ-OE1 3.61Å; K113-E117 WeakPolarHBondContact O-CB 2.94Å; K113-E117 WeakPolarHBondContact O-CG 3.48Å; K113-E117 PolarHBondContact O-N 3.26Å |
| 114 | L | 97.9 | Very high | 98.2 | Very high | 36 Ų | 36 | 53.2 Ų | 53.2 | 19% | 0.188 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.2 | -41.4 | 177.9 | -176.1 | 68 | 0 | 0 | 0 | 112.3 | L110 L111 R118 T450 M452 L495 | L110-L114 WeakPolarHBondContact O-CB 3.49Å; L110-L114 PolarHBondContact O-N 3.38Å; L111-L114 PolarHBondContact O-N 2.86Å; L114-R118 VanDerWaalsContact CD1-CD 3.47Å; L114-R118 HydrophobicContact CD1-CG 4.33Å; L114-R118 WeakPolarHBondContact O-CB 3.39Å; L114-R118 WeakPolarHBondContact O-CD 3.41Å; L114-R118 VanDerWaalsContact O-CG 3.3Å; L114-R118 WeakPolarHBondContact O-CG 3.32Å; L114-R118 PolarHBondContact O-N 3.13Å; L114-T450 WeakPolarHBondContact CD2-O 3.12Å; L114-M452 HydrophobicContact CD2-CE 3.86Å; L114-L495 HydrophobicContact CD2-CD2 3.85Å |
| 115 | L | 98.4 | Very high | 98.2 | Very high | 5 Ų | 5 | 52.5 Ų | 52.5 | 3% | 0.026 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.7 | -48.2 | 176 | -179.6 | 152.8 | 0 | 0 | 0 | 111.5 | F95 L111 V112 K113 S119 T475 I487 E488 | F95-L115 HydrophobicContact CE1-CD2 3.77Å; F95-L115 HydrophobicContact CE2-CD2 4.41Å; F95-L115 HydrophobicContact CZ-CD2 3.53Å; L111-L115 WeakPolarHBondContact O-CB 3.36Å; L111-L115 PolarHBondContact O-N 3.4Å; V112-L115 PolarHBondContact O-N 3.16Å; K113-L115 VanDerWaalsContact C-N 3.3Å; K113-L115 PolarHBondContact O-N 3.29Å; L115-S119 WeakPolarHBondContact O-CB 3.3Å; L115-S119 PolarHBondContact O-N 3.48Å; L115-T475 HydrophobicContact CD1-CG2 3.81Å; L115-I487 HydrophobicContact CD1-CG2 4.27Å; L115-I487 HydrophobicContact CD2-CG2 3.86Å; L115-I487 HydrophobicContact CG-CG2 4.08Å; L115-E488 HydrophobicContact CD1-CB 3.77Å; L115-E488 HydrophobicContact CD1-CG 4.48Å |
| 116 | A | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.9 | -52.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | C78 C92 F95 I96 V112 K113 R118 S119 | C78-A116 PolarHBondContact SG-O 3.22Å; C92-A116 HydrophobicContact CB-CB 4.25Å; F95-A116 HydrophobicContact CB-CB 4.46Å; F95-A116 HydrophobicContact CD1-CB 3.76Å; F95-A116 HydrophobicContact CE1-CB 4.33Å; F95-A116 HydrophobicContact CG-CB 4.28Å; I96-A116 HydrophobicContact CD1-CB 4.26Å; I96-A116 HydrophobicContact CG1-CB 3.69Å; V112-A116 PolarHBondContact O-N 2.82Å; K113-A116 PolarHBondContact O-N 2.94Å; A116-R118 VanDerWaalsContact C-N 3.25Å; A116-R118 PolarHBondContact O-N 2.84Å; A116-S119 VanDerWaalsContact O-CB 3.3Å; A116-S119 WeakPolarHBondContact O-CB 3.42Å; A116-S119 PolarHBondContact O-N 3.46Å; A116-S119 PolarHBondContact O-OG 3.02Å |
| 117 | E | 98.3 | Very high | 97.9 | Very high | 110 Ų | 110 | 46.4 Ų | 46.4 | 51% | 0.514 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.8 | -28.3 | -174.8 | -69.9 | 179.5 | 156.2 | 0 | 0 | 113.4 | K113 | K113-E117 WeakPolarHBondContact CE-OE1 3.21Å; K113-E117 WeakPolarHBondContact CE-OE2 3.1Å; K113-E117 HydrophobicContact CG-CG 4.22Å; K113-E117 IonicContact NZ-OE1 3.61Å; K113-E117 WeakPolarHBondContact O-CB 2.94Å; K113-E117 WeakPolarHBondContact O-CG 3.48Å; K113-E117 PolarHBondContact O-N 3.26Å |
| 118 | R | 98.1 | Very high | 97.7 | Very high | 68 Ų | 68 | 54.4 Ų | 54.4 | 26% | 0.257 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -86.6 | -12.4 | 177.6 | -67 | 172 | 63.4 | 86.5 | -4.5 | 113.4 | L114 A116 A120 S121 F122 S491 | L114-R118 VanDerWaalsContact CD1-CD 3.47Å; L114-R118 HydrophobicContact CD1-CG 4.33Å; L114-R118 WeakPolarHBondContact O-CB 3.39Å; L114-R118 WeakPolarHBondContact O-CD 3.41Å; L114-R118 VanDerWaalsContact O-CG 3.3Å; L114-R118 WeakPolarHBondContact O-CG 3.32Å; L114-R118 PolarHBondContact O-N 3.13Å; A116-R118 VanDerWaalsContact C-N 3.25Å; A116-R118 PolarHBondContact O-N 2.84Å; R118-A120 PolarHBondContact O-N 2.98Å; R118-S121 PolarHBondContact O-N 3.09Å; R118-F122 HydrophobicContact CB-CD2 4.27Å; R118-F122 HydrophobicContact CB-CE2 3.98Å; R118-F122 VanDerWaalsContact O-CD2 3.22Å; R118-F122 WeakPolarHBondContact O-CD2 3.39Å; R118-S491 VanDerWaalsContact CD-OG 3.26Å; R118-S491 WeakPolarHBondContact CD-OG 3.22Å; R118-S491 PolarHBondContact NE-OG 2.96Å |
| 119 | S | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.2 | -44.8 | -166.9 | 66.7 | 0 | 0 | 0 | 0 | 114 | A77 C78 L115 A116 S121 F122 V123 | A77-S119 VanDerWaalsContact CA-OG 3.31Å; A77-S119 WeakPolarHBondContact CA-OG 3.38Å; C78-S119 PolarHBondContact N-OG 3.36Å; C78-S119 VanDerWaalsContact N-OG 3.11Å; C78-S119 PolarHBondContact SG-OG 3Å; L115-S119 WeakPolarHBondContact O-CB 3.3Å; L115-S119 PolarHBondContact O-N 3.48Å; A116-S119 VanDerWaalsContact O-CB 3.3Å; A116-S119 WeakPolarHBondContact O-CB 3.42Å; A116-S119 PolarHBondContact O-N 3.46Å; A116-S119 PolarHBondContact O-OG 3.02Å; S119-S121 PolarHBondContact O-N 3.49Å; S119-F122 PolarHBondContact O-N 2.8Å; S119-V123 PolarHBondContact O-N 3.39Å |
| 120 | A | 98.4 | Very high | 97.2 | Very high | 19 Ų | 19 | 49.1 Ų | 49.1 | 16% | 0.157 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.6 | -46.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | C78 R118 F122 V123 N124 | C78-A120 WeakPolarHBondContact O-CB 3.4Å; R118-A120 PolarHBondContact O-N 2.98Å; A120-F122 VanDerWaalsContact C-N 3.33Å; A120-F122 PolarHBondContact O-N 3.23Å; A120-V123 PolarHBondContact O-N 3.01Å; A120-N124 WeakPolarHBondContact O-CB 3.4Å; A120-N124 PolarHBondContact O-N 3.26Å; A120-N124 PolarHBondContact O-ND2 3.28Å |
| 121 | S | 97.7 | Very high | 96.9 | Very high | 79 Ų | 79 | 44.4 Ų | 44.4 | 55% | 0.552 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -56.4 | -47.1 | -178.3 | 168 | 0 | 0 | 0 | 0 | 111.6 | R118 S119 E125 | R118-S121 PolarHBondContact O-N 3.09Å; S119-S121 PolarHBondContact O-N 3.49Å; S121-E125 PolarHBondContact O-N 2.96Å |
| 122 | F | 97.7 | Very high | 96.7 | Very high | 21 Ų | 21 | 48.2 Ų | 48.2 | 9% | 0.092 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.9 | -44.8 | 179.5 | -70.5 | -61.1 | 0 | 0 | 0 | 112.3 | R118 S119 A120 N124 E125 L126 I487 I490 | R118-F122 HydrophobicContact CB-CD2 4.27Å; R118-F122 HydrophobicContact CB-CE2 3.98Å; R118-F122 VanDerWaalsContact O-CD2 3.22Å; R118-F122 WeakPolarHBondContact O-CD2 3.39Å; S119-F122 PolarHBondContact O-N 2.8Å; A120-F122 VanDerWaalsContact C-N 3.33Å; A120-F122 PolarHBondContact O-N 3.23Å; F122-N124 PolarHBondContact O-N 3.08Å; F122-E125 PolarHBondContact O-N 3.46Å; F122-L126 WeakPolarHBondContact O-CG 3.33Å; F122-L126 PolarHBondContact O-N 2.96Å; F122-I487 HydrophobicContact CB-CD1 4.02Å; F122-I487 HydrophobicContact CD2-CD1 4.15Å; F122-I490 HydrophobicContact CB-CG2 3.94Å; F122-I490 HydrophobicContact CD1-CG2 3.44Å; F122-I490 VanDerWaalsContact CD1-CG2 3.44Å; F122-I490 HydrophobicContact CD2-CG2 3.84Å; F122-I490 HydrophobicContact CE1-CG2 3.78Å; F122-I490 HydrophobicContact CE2-CG2 4.16Å; F122-I490 HydrophobicContact CG-CG2 3.46Å; F122-I490 VanDerWaalsContact CG-CG2 3.46Å; F122-I490 HydrophobicContact CZ-CG2 4.13Å |
| 123 | V | 98.3 | Very high | 96.5 | Very high | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.018 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.9 | -39.6 | -178.5 | 170.2 | 0 | 0 | 0 | 0 | 111.9 | I75 A77 S119 A120 E125 L126 P127 L133 H148 | I75-V123 HydrophobicContact CD1-CG2 4.12Å; I75-V123 HydrophobicContact CG1-CG2 4.23Å; I75-V123 HydrophobicContact CG2-CG2 4.18Å; A77-V123 HydrophobicContact CB-CB 3.82Å; A77-V123 HydrophobicContact CB-CG1 4.24Å; A77-V123 HydrophobicContact CB-CG2 3.63Å; S119-V123 PolarHBondContact O-N 3.39Å; A120-V123 PolarHBondContact O-N 3.01Å; V123-E125 VanDerWaalsContact C-N 3.27Å; V123-E125 PolarHBondContact O-N 2.87Å; V123-L126 PolarHBondContact O-N 2.71Å; V123-P127 VanDerWaalsContact O-CD 3.25Å; V123-P127 WeakPolarHBondContact O-CD 3.31Å; V123-L133 HydrophobicContact CG1-CD1 4.16Å; V123-H148 HydrophobicContact CG1-CB 4.38Å |
| 124 | N | 98 | Very high | 96.3 | Very high | 38 Ų | 38 | 46.9 Ų | 46.9 | 20% | 0.203 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -71.3 | -19.9 | 178.9 | -69.9 | -10.3 | 0 | 0 | 0 | 113 | D81 A120 F122 | D81-N124 VanDerWaalsContact CG-CG 3.48Å; D81-N124 PolarHBondContact N-ND2 2.87Å; D81-N124 PolarHBondContact N-OD1 2.96Å; D81-N124 PolarHBondContact OD1-ND2 3.27Å; A120-N124 WeakPolarHBondContact O-CB 3.4Å; A120-N124 PolarHBondContact O-N 3.26Å; A120-N124 PolarHBondContact O-ND2 3.28Å; F122-N124 PolarHBondContact O-N 3.08Å |
| 125 | E | 96.6 | Very high | 96.1 | Very high | 72 Ų | 72 | 46.6 Ų | 46.6 | 34% | 0.336 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -79.5 | -34.6 | 177.2 | -159.7 | -171.8 | 154 | 0 | 0 | 112.5 | S121 F122 V123 K128 W129 | S121-E125 PolarHBondContact O-N 2.96Å; F122-E125 PolarHBondContact O-N 3.46Å; V123-E125 VanDerWaalsContact C-N 3.27Å; V123-E125 PolarHBondContact O-N 2.87Å; E125-K128 HydrophobicContact CG-CD 4.48Å; E125-K128 VanDerWaalsContact O-CB 3.26Å; E125-K128 WeakPolarHBondContact O-CB 3.37Å; E125-K128 PolarHBondContact O-N 3.5Å; E125-W129 PolarHBondContact OE1-NE1 2.97Å |
| 126 | L | 96.1 | Very high | 96 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -55.6 | -37 | -173.8 | -73.3 | 167.8 | 0 | 0 | 0 | 115.1 | F122 V123 K128 W129 G130 L131 L133 L165 Y169 M172 | F122-L126 WeakPolarHBondContact O-CG 3.33Å; F122-L126 PolarHBondContact O-N 2.96Å; V123-L126 PolarHBondContact O-N 2.71Å; L126-K128 VanDerWaalsContact C-N 3.3Å; L126-K128 PolarHBondContact O-N 3.43Å; L126-W129 CarbonylContact O-C 3.57Å; L126-W129 WeakPolarHBondContact O-CA 3.42Å; L126-W129 WeakPolarHBondContact O-CB 3.43Å; L126-W129 PolarHBondContact O-N 2.91Å; L126-W129 VanDerWaalsContact O-N 3.12Å; L126-G130 PolarHBondContact O-N 2.91Å; L126-L131 HydrophobicContact CB-CB 4.18Å; L126-L131 HydrophobicContact CB-CD2 4.2Å; L126-L131 HydrophobicContact CD1-CD2 4.19Å; L126-L131 HydrophobicContact CD2-CD2 4.07Å; L126-L131 HydrophobicContact CG-CD2 4.39Å; L126-L131 WeakPolarHBondContact O-CB 3.45Å; L126-L131 PolarHBondContact O-N 2.93Å; L126-L133 HydrophobicContact CB-CD1 3.97Å; L126-L133 HydrophobicContact CD1-CD1 3.62Å; L126-L133 HydrophobicContact CG-CD1 4.46Å; L126-L165 HydrophobicContact CD1-CD2 3.47Å; L126-L165 VanDerWaalsContact CD1-CD2 3.47Å; L126-L165 HydrophobicContact CD2-CD2 3.85Å; L126-L165 HydrophobicContact CG-CD2 4.33Å; L126-Y169 HydrophobicContact CD2-CE2 3.8Å; L126-M172 HydrophobicContact CD2-CE 4.48Å |
| 127 | P | 95.1 | Very high | 95.8 | Very high | 69 Ų | 69 | 47.6 Ų | 47.6 | 45% | 0.448 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -60 | -33.8 | 171.7 | -28.1 | 36.6 | 0 | 0 | 0 | 114.5 | V123 W129 G130 L131 | V123-P127 VanDerWaalsContact O-CD 3.25Å; V123-P127 WeakPolarHBondContact O-CD 3.31Å; P127-W129 PolarHBondContact O-N 2.94Å; P127-G130 WeakPolarHBondContact O-CA 3.41Å; P127-G130 PolarHBondContact O-N 2.93Å; P127-L131 WeakPolarHBondContact CA-O 3.2Å |
| 128 | K | 93.4 | Very high | 95.7 | Very high | 178 Ų | 178 | 43.2 Ų | 43.2 | 77% | 0.774 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -65.4 | -28.6 | 176.5 | -55.4 | 178.6 | -175.5 | 173.1 | 0 | 111.5 | E125 L126 G130 | E125-K128 HydrophobicContact CG-CD 4.48Å; E125-K128 VanDerWaalsContact O-CB 3.26Å; E125-K128 WeakPolarHBondContact O-CB 3.37Å; E125-K128 PolarHBondContact O-N 3.5Å; L126-K128 VanDerWaalsContact C-N 3.3Å; L126-K128 PolarHBondContact O-N 3.43Å; K128-G130 VanDerWaalsContact C-N 3.27Å |
| 129 | W | 93.5 | Very high | 95.7 | Very high | 66 Ų | 66 | 40 Ų | 40 | 25% | 0.25 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -86.5 | 4.3 | 173.1 | -68.3 | 98 | 0 | 0 | 0 | 112.5 | E125 L126 P127 R168 M172 L175 | E125-W129 PolarHBondContact OE1-NE1 2.97Å; L126-W129 CarbonylContact O-C 3.57Å; L126-W129 WeakPolarHBondContact O-CA 3.42Å; L126-W129 WeakPolarHBondContact O-CB 3.43Å; L126-W129 PolarHBondContact O-N 2.91Å; L126-W129 VanDerWaalsContact O-N 3.12Å; P127-W129 PolarHBondContact O-N 2.94Å; W129-R168 HydrophobicContact CB-CG 3.71Å; W129-R168 WeakPolarHBondContact O-CD 3.41Å; W129-R168 PolarHBondContact O-NE 2.86Å; W129-R168 PolarHBondContact O-NH1 2.93Å; W129-R168 PolarHBondContact O-NH2 3.27Å; W129-M172 HydrophobicContact CB-CE 3.75Å; W129-M172 HydrophobicContact CD2-CE 3.45Å; W129-M172 VanDerWaalsContact CD2-CE 3.45Å; W129-M172 HydrophobicContact CD2-CG 3.86Å; W129-M172 HydrophobicContact CD2-SD 4.29Å; W129-M172 HydrophobicContact CE3-CE 4.21Å; W129-M172 HydrophobicContact CE3-CG 3.83Å; W129-M172 HydrophobicContact CG-CE 3.19Å; W129-M172 HydrophobicContact CH2-CB 4.43Å; W129-M172 HydrophobicContact CH2-CG 3.8Å; W129-M172 HydrophobicContact CZ2-CG 3.82Å; W129-M172 HydrophobicContact CZ2-SD 4.41Å; W129-M172 HydrophobicContact CZ3-CG 3.81Å; W129-L175 HydrophobicContact CH2-CD1 4.08Å; W129-L175 HydrophobicContact CZ3-CD1 3.58Å |
| 130 | G | 92.1 | Very high | 95.6 | Very high | 49 Ų | 49 | 40.1 Ų | 40.1 | 51% | 0.505 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | 17.2 | 176 | 0 | 0 | 0 | 0 | 0 | 114.3 | L126 P127 K128 R168 | L126-G130 PolarHBondContact O-N 2.91Å; P127-G130 WeakPolarHBondContact O-CA 3.41Å; P127-G130 PolarHBondContact O-N 2.93Å; K128-G130 VanDerWaalsContact C-N 3.27Å; G130-R168 PolarHBondContact O-NH2 2.84Å |
| 131 | L | 93.2 | Very high | 95.4 | Very high | 10 Ų | 10 | 40.2 Ų | 40.2 | 5% | 0.052 | 23% | 0.229 | C | C | . | . | trans | -95.2 | 105.4 | 170.7 | -170.2 | 68.7 | 0 | 0 | 0 | 109.7 | L126 P127 L133 I150 A164 L165 | L126-L131 HydrophobicContact CB-CB 4.18Å; L126-L131 HydrophobicContact CB-CD2 4.2Å; L126-L131 HydrophobicContact CD1-CD2 4.19Å; L126-L131 HydrophobicContact CD2-CD2 4.07Å; L126-L131 HydrophobicContact CG-CD2 4.39Å; L126-L131 WeakPolarHBondContact O-CB 3.45Å; L126-L131 PolarHBondContact O-N 2.93Å; P127-L131 WeakPolarHBondContact CA-O 3.2Å; L131-L133 HydrophobicContact CD2-CD1 4.33Å; L131-L133 HydrophobicContact CD2-CD2 3.98Å; L131-L133 HydrophobicContact CD2-CG 4.21Å; L131-L133 HydrophobicContact CG-CD2 4.02Å; L131-L133 HydrophobicContact CG-CG 4.17Å; L131-L133 PolarHBondContact O-N 2.96Å; L131-I150 HydrophobicContact CD1-CD1 3.78Å; L131-I150 HydrophobicContact CD1-CG1 4.17Å; L131-A164 HydrophobicContact CD1-CB 3.53Å; L131-L165 HydrophobicContact CD2-CD2 3.62Å; L131-L165 HydrophobicContact CD2-CG 4.16Å | ||
| 132 | N | 92.6 | Very high | 95.4 | Very high | 88 Ų | 88 | 37.2 Ų | 37.2 | 47% | 0.471 | 21% | 0.206 | S | C | . | . | trans | -74.2 | 114.7 | 176.5 | -176.8 | 7.1 | 0 | 0 | 0 | 110.4 | S134 I150 P151 | N132-S134 PolarHBondContact ND2-OG 3.1Å; N132-S134 WeakPolarHBondContact OD1-CB 3.39Å; N132-S134 PolarHBondContact OD1-N 3.1Å; N132-S134 PolarHBondContact OD1-OG 2.87Å; N132-S134 VanDerWaalsContact OD1-OG 3.04Å; N132-I150 WeakPolarHBondContact O-CA 3.42Å; N132-P151 WeakPolarHBondContact ND2-CG 3.32Å; N132-P151 WeakPolarHBondContact O-CD 3.35Å | ||
| 133 | L | 95.2 | Very high | 95.4 | Very high | 8 Ų | 8 | 39.1 Ų | 39.1 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | trans | -113.1 | 29 | 179 | -67.4 | -174.3 | 0 | 0 | 0 | 112.9 | I75 L82 V123 L126 L131 Q135 H148 R149 I150 I161 | I75-L133 HydrophobicContact CG2-CD1 4.15Å; L82-L133 WeakPolarHBondContact CD2-O 3.33Å; V123-L133 HydrophobicContact CG1-CD1 4.16Å; L126-L133 HydrophobicContact CB-CD1 3.97Å; L126-L133 HydrophobicContact CD1-CD1 3.62Å; L126-L133 HydrophobicContact CG-CD1 4.46Å; L131-L133 HydrophobicContact CD2-CD1 4.33Å; L131-L133 HydrophobicContact CD2-CD2 3.98Å; L131-L133 HydrophobicContact CD2-CG 4.21Å; L131-L133 HydrophobicContact CG-CD2 4.02Å; L131-L133 HydrophobicContact CG-CG 4.17Å; L131-L133 PolarHBondContact O-N 2.96Å; L133-Q135 PolarHBondContact O-N 3.02Å; L133-Q135 VanDerWaalsContact O-N 3.16Å; L133-H148 HydrophobicContact CB-CB 4.2Å; L133-H148 HydrophobicContact CD1-CB 4.5Å; L133-R149 CarbonylContact C-O 3.34Å; L133-R149 VanDerWaalsContact C-O 3.3Å; L133-R149 WeakPolarHBondContact CA-O 3.3Å; L133-I150 HydrophobicContact CD2-CG1 4.09Å; L133-I161 HydrophobicContact CD2-CD1 3.68Å; L133-I161 HydrophobicContact CD2-CG1 4.23Å | ||
| 134 | S | 94.1 | Very high | 95.3 | Very high | 64 Ų | 64 | 40.6 Ų | 40.6 | 45% | 0.448 | 23% | 0.231 | S | C | . | . | trans | -76.3 | 8.6 | -171.8 | 72.2 | 0 | 0 | 0 | 0 | 116 | N132 | N132-S134 PolarHBondContact ND2-OG 3.1Å; N132-S134 WeakPolarHBondContact OD1-CB 3.39Å; N132-S134 PolarHBondContact OD1-N 3.1Å; N132-S134 PolarHBondContact OD1-OG 2.87Å; N132-S134 VanDerWaalsContact OD1-OG 3.04Å | ||
| 135 | Q | 94.1 | Very high | 95.3 | Very high | 29 Ų | 29 | 43.8 Ų | 43.8 | 14% | 0.136 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 126.4 | 173.9 | -178.5 | -179.1 | 69.2 | 0 | 0 | 109.9 | L133 H148 R149 P151 F309 K361 | L133-Q135 PolarHBondContact O-N 3.02Å; L133-Q135 VanDerWaalsContact O-N 3.16Å; Q135-H148 CarbonylContact O-C 3.45Å; Q135-H148 WeakPolarHBondContact O-CA 3.27Å; Q135-R149 HydrophobicContact CB-CB 4.01Å; Q135-R149 HydrophobicContact CG-CB 4.21Å; Q135-R149 PolarHBondContact N-O 3.02Å; Q135-R149 PolarHBondContact O-N 2.91Å; Q135-P151 HydrophobicContact CB-CB 4.21Å; Q135-F309 HydrophobicContact CG-CZ 4.41Å; Q135-K361 PolarHBondContact NE2-O 2.74Å |
| 136 | L | 95.6 | Very high | 95.3 | Very high | 25 Ų | 25 | 40.4 Ų | 40.4 | 13% | 0.131 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 135.1 | 171.8 | -76 | 174.2 | 0 | 0 | 0 | 110.9 | L82 Q83 V88 K145 | L82-L136 HydrophobicContact CD2-CD1 4.05Å; L82-L136 HydrophobicContact CD2-CD2 4.09Å; L82-L136 HydrophobicContact CD2-CG 3.6Å; L82-L136 HydrophobicContact CG-CD1 3.87Å; L82-L136 HydrophobicContact CG-CG 4.01Å; Q83-L136 HydrophobicContact CG-CD1 3.84Å; Q83-L136 HydrophobicContact CG-CD2 4.36Å; V88-L136 HydrophobicContact CG2-CD1 4.23Å; L136-K145 HydrophobicContact CB-CB 4.28Å |
| 137 | V | 95.7 | Very high | 95.4 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.018 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 153.1 | 171.8 | 71.3 | 0 | 0 | 0 | 0 | 110.3 | L139 R146 T147 R149 F309 | V137-L139 HydrophobicContact CG1-CD2 3.66Å; V137-L139 HydrophobicContact CG1-CG 4.17Å; V137-L139 HydrophobicContact CG2-CD2 4.37Å; V137-R146 PolarHBondContact O-N 2.82Å; V137-T147 HydrophobicContact CG1-CG2 4.12Å; V137-T147 PolarHBondContact N-O 3.49Å; V137-T147 PolarHBondContact O-N 2.87Å; V137-R149 VanDerWaalsContact CG1-CD 3.42Å; V137-R149 HydrophobicContact CG1-CG 4.16Å; V137-F309 HydrophobicContact CB-CE1 3.89Å; V137-F309 HydrophobicContact CB-CZ 3.82Å; V137-F309 HydrophobicContact CG2-CD1 3.76Å; V137-F309 HydrophobicContact CG2-CD2 4.35Å; V137-F309 HydrophobicContact CG2-CE1 3.47Å; V137-F309 VanDerWaalsContact CG2-CE1 3.47Å; V137-F309 HydrophobicContact CG2-CE2 4.1Å; V137-F309 HydrophobicContact CG2-CG 4.2Å; V137-F309 HydrophobicContact CG2-CZ 3.65Å |
| 138 | I | 96.7 | Very high | 95.5 | Very high | 17 Ų | 17 | 37.1 Ų | 37.1 | 9% | 0.087 | 21% | 0.206 | C | C | . | . | trans | -94.2 | 126.8 | 166.8 | -172.5 | 164.3 | 0 | 0 | 0 | 108 | H142 K145 G308 L325 V419 | I138-H142 HydrophobicContact CG1-CB 4.05Å; I138-K145 HydrophobicContact CB-CG 3.97Å; I138-G308 WeakPolarHBondContact O-CA 3.32Å; I138-L325 HydrophobicContact CG2-CD1 4.39Å; I138-V419 HydrophobicContact CD1-CG2 4.2Å; I138-V419 HydrophobicContact CG2-CG1 3.82Å | ||
| 139 | L | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -102.5 | 179.3 | 174.4 | -61.1 | -169.8 | 0 | 0 | 0 | 110.1 | V137 H142 T147 E304 A305 | V137-L139 HydrophobicContact CG1-CD2 3.66Å; V137-L139 HydrophobicContact CG1-CG 4.17Å; V137-L139 HydrophobicContact CG2-CD2 4.37Å; L139-H142 VanDerWaalsContact C-CD2 3.47Å; L139-H142 PolarHBondContact O-CD2 3.35Å; L139-H142 PolarHBondContact O-N 3.05Å; L139-T147 HydrophobicContact CD1-CG2 3.74Å; L139-T147 HydrophobicContact CG-CG2 4.11Å; L139-T147 WeakPolarHBondContact CG-OG1 3.48Å; L139-E304 HydrophobicContact CB-CG 4.05Å; L139-E304 HydrophobicContact CD1-CB 4.31Å; L139-E304 HydrophobicContact CD1-CG 4.39Å; L139-E304 HydrophobicContact CD2-CB 4.14Å; L139-E304 HydrophobicContact CD2-CG 4.06Å; L139-E304 HydrophobicContact CG-CG 4.39Å; L139-A305 HydrophobicContact CD2-CB 4.21Å | ||
| 140 | A | 95.8 | Very high | 95.6 | Very high | 4 Ų | 4 | 27.5 Ų | 27.5 | 3% | 0.033 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | 137.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | H142 E304 R307 L325 A326 | A140-H142 PolarHBondContact O-CD2 3.23Å; A140-H142 PolarHBondContact O-N 3.5Å; A140-E304 WeakPolarHBondContact CA-OE1 3.28Å; A140-E304 HydrophobicContact CB-CG 4.27Å; A140-E304 WeakPolarHBondContact CB-OE1 3.46Å; A140-E304 PolarHBondContact N-OE1 3.29Å; A140-R307 VanDerWaalsContact CB-NH1 3.34Å; A140-L325 CarbonylContact C-O 3.57Å; A140-L325 VanDerWaalsContact CA-O 3.31Å; A140-L325 WeakPolarHBondContact CA-O 3.3Å; A140-L325 HydrophobicContact CB-CD2 4.34Å; A140-A326 WeakPolarHBondContact CB-O 3.46Å |
| 141 | G | 95.7 | Very high | 95.5 | Very high | 20 Ų | 20 | 26.5 Ų | 26.5 | 21% | 0.206 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | -6.8 | -177 | 0 | 0 | 0 | 0 | 0 | 115.7 | L325 | G141-L325 PolarHBondContact N-O 3.44Š|
| 142 | H | 97.4 | Very high | 94.9 | Very high | 16 Ų | 16 | 29 Ų | 29 | 7% | 0.074 | 17% | 0.168 | C | C | . | . | trans | -82.6 | 142 | 176 | -64 | -102.4 | 0 | 0 | 0 | 111.4 | N76 I138 L139 A140 R146 L481 G482 | N76-H142 PolarHBondContact ND2-CE1 2.96Å; I138-H142 HydrophobicContact CG1-CB 4.05Å; L139-H142 VanDerWaalsContact C-CD2 3.47Å; L139-H142 PolarHBondContact O-CD2 3.35Å; L139-H142 PolarHBondContact O-N 3.05Å; A140-H142 PolarHBondContact O-CD2 3.23Å; A140-H142 PolarHBondContact O-N 3.5Å; H142-R146 PolarHBondContact ND1-NH1 2.84Å; H142-L481 VanDerWaalsContact CE1-CD2 3.48Å; H142-L481 WeakPolarHBondContact CE1-CD2 3.21Å; H142-L481 VanDerWaalsContact CE1-CG 3.44Å; H142-L481 WeakPolarHBondContact CE1-CG 3.17Å; H142-L481 WeakPolarHBondContact NE2-CG 3.46Å; H142-G482 PolarHBondContact CE1-O 2.86Å; H142-G482 VanDerWaalsContact CE1-O 3.29Å; H142-G482 PolarHBondContact NE2-O 3.45Å | ||
| 143 | S | 96.3 | Very high | 94.3 | Very high | 62 Ų | 62 | 26.8 Ų | 26.8 | 43% | 0.434 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -82.1 | -23.3 | 173.5 | 53.3 | 0 | 0 | 0 | 0 | 113.5 | D98 | D98-S143 WeakPolarHBondContact OD1-CB 3.49Å; D98-S143 PolarHBondContact OD1-OG 2.82Å; D98-S143 PolarHBondContact OD2-N 2.87Å; D98-S143 PolarHBondContact OD2-OG 3.47Å |
| 144 | V | 97 | Very high | 93.3 | Very high | 33 Ų | 33 | 34 Ų | 34 | 20% | 0.2 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -143.6 | 164.2 | -178.3 | -64.9 | 0 | 0 | 0 | 0 | 111.3 | V88 D90 R146 | V88-V144 HydrophobicContact CG1-CB 4.34Å; D90-V144 HydrophobicContact CB-CG2 3.59Å; D90-V144 VanDerWaalsContact CG-CG2 3.45Å; D90-V144 WeakPolarHBondContact OD1-CG2 3.35Å; V144-R146 PolarHBondContact O-N 3.18Å; V144-R146 VanDerWaalsContact O-N 3.12Å |
| 145 | K | 97.4 | Very high | 92.5 | Very high | 106 Ų | 106 | 35.1 Ų | 35.1 | 46% | 0.461 | 20% | 0.203 | S | C | . | . | trans | -64.1 | 111.1 | 173.7 | -67 | 179.9 | -176.8 | 176 | 0 | 110 | Q83 V88 L136 I138 | Q83-K145 PolarHBondContact NE2-O 3.35Å; V88-K145 HydrophobicContact CG1-CB 4.35Å; V88-K145 WeakPolarHBondContact CG1-O 3.49Å; V88-K145 HydrophobicContact CG2-CB 4.39Å; L136-K145 HydrophobicContact CB-CB 4.28Å; I138-K145 HydrophobicContact CB-CG 3.97Å | ||
| 146 | R | 97.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -125.7 | -19.7 | -175.2 | -173.6 | 170.9 | -60.4 | 107.8 | -15.5 | 113.6 | N76 A77 D90 F95 D98 V137 H142 V144 H148 | N76-R146 WeakPolarHBondContact CA-O 3.35Å; N76-R146 HydrophobicContact CB-CG 3.92Å; A77-R146 PolarHBondContact N-O 2.66Å; A77-R146 VanDerWaalsContact O-CG 3.29Å; A77-R146 WeakPolarHBondContact O-CG 3.47Å; D90-R146 VanDerWaalsContact CG-NE 3.32Å; D90-R146 IonicContact OD1-CZ 2.77Å; D90-R146 VanDerWaalsContact OD1-CZ 3.28Å; D90-R146 IonicContact OD1-NE 3.91Å; D90-R146 PolarHBondContact OD1-NE 2.81Å; D90-R146 IonicContact OD1-NH2 2.7Å; D90-R146 PolarHBondContact OD1-NH2 3.48Å; D90-R146 WeakPolarHBondContact OD2-CD 3.19Å; D90-R146 VanDerWaalsContact OD2-CG 3.26Å; D90-R146 WeakPolarHBondContact OD2-CG 3.27Å; D90-R146 IonicContact OD2-CZ 2.72Å; D90-R146 IonicContact OD2-NE 3.63Å; D90-R146 PolarHBondContact OD2-NE 2.97Å; D90-R146 IonicContact OD2-NH2 3.77Å; F95-R146 VanDerWaalsContact CE2-CD 3.48Å; F95-R146 VanDerWaalsContact CG-CD 3.43Å; D98-R146 IonicContact OD2-CZ 2.8Å; D98-R146 VanDerWaalsContact OD2-CZ 3.31Å; D98-R146 IonicContact OD2-NH1 3.16Å; D98-R146 PolarHBondContact OD2-NH1 3.19Å; D98-R146 IonicContact OD2-NH2 3.6Å; D98-R146 PolarHBondContact OD2-NH2 3.01Å; V137-R146 PolarHBondContact O-N 2.82Å; H142-R146 PolarHBondContact ND1-NH1 2.84Å; V144-R146 PolarHBondContact O-N 3.18Å; V144-R146 VanDerWaalsContact O-N 3.12Å; R146-H148 PolarHBondContact O-N 3.48Å; R146-H148 PolarHBondContact O-ND1 2.94Å; R146-H148 VanDerWaalsContact O-ND1 3.13Å | ||
| 147 | T | 98.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 107.8 | -168.6 | -54.8 | 0 | 0 | 0 | 0 | 109.9 | G74 I75 N76 V137 L139 | G74-T147 VanDerWaalsContact CA-CG2 3.42Å; I75-T147 CarbonylContact O-C 3.57Å; I75-T147 WeakPolarHBondContact O-CA 3.45Å; N76-T147 WeakPolarHBondContact OD1-CA 3.5Å; N76-T147 WeakPolarHBondContact OD1-CB 3.46Å; N76-T147 PolarHBondContact OD1-OG1 2.8Å; V137-T147 HydrophobicContact CG1-CG2 4.12Å; V137-T147 PolarHBondContact N-O 3.49Å; V137-T147 PolarHBondContact O-N 2.87Å; L139-T147 HydrophobicContact CD1-CG2 3.74Å; L139-T147 HydrophobicContact CG-CG2 4.11Å; L139-T147 WeakPolarHBondContact CG-OG1 3.48Å |
| 148 | H | 97.8 | Very high | 89.7 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.009 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 137.7 | 174 | -59 | 69.3 | 0 | 0 | 0 | 111 | G74 I75 S80 V123 L133 Q135 R146 I161 | G74-H148 CarbonylContact C-O 3.45Å; G74-H148 WeakPolarHBondContact CA-O 3.29Å; I75-H148 HydrophobicContact CG2-CB 4.03Å; I75-H148 PolarHBondContact N-O 3.46Å; I75-H148 PolarHBondContact O-N 2.78Å; S80-H148 PolarHBondContact OG-CE1 3.44Å; S80-H148 PolarHBondContact OG-NE2 3.33Å; V123-H148 HydrophobicContact CG1-CB 4.38Å; L133-H148 HydrophobicContact CB-CB 4.2Å; L133-H148 HydrophobicContact CD1-CB 4.5Å; Q135-H148 CarbonylContact O-C 3.45Å; Q135-H148 WeakPolarHBondContact O-CA 3.27Å; R146-H148 PolarHBondContact O-N 3.48Å; R146-H148 PolarHBondContact O-ND1 2.94Å; R146-H148 VanDerWaalsContact O-ND1 3.13Å; H148-I161 WeakPolarHBondContact O-CD1 3.28Å |
| 149 | R | 95.1 | Very high | 89.1 | Confident | 15 Ų | 15 | 46.9 Ų | 46.9 | 6% | 0.057 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 155.4 | -176.1 | -70.3 | 178.5 | 59.2 | 85.8 | 3.7 | 110.6 | S72 S73 L133 Q135 V137 | S72-R149 PolarHBondContact O-NH1 3.2Å; S73-R149 VanDerWaalsContact C-NH1 3.26Å; S73-R149 VanDerWaalsContact O-CD 3.31Å; S73-R149 WeakPolarHBondContact O-CD 3.36Å; S73-R149 WeakPolarHBondContact O-CG 3.41Å; S73-R149 PolarHBondContact O-NH1 2.9Å; L133-R149 CarbonylContact C-O 3.34Å; L133-R149 VanDerWaalsContact C-O 3.3Å; L133-R149 WeakPolarHBondContact CA-O 3.3Å; Q135-R149 HydrophobicContact CB-CB 4.01Å; Q135-R149 HydrophobicContact CG-CB 4.21Å; Q135-R149 PolarHBondContact N-O 3.02Å; Q135-R149 PolarHBondContact O-N 2.91Å; V137-R149 VanDerWaalsContact CG1-CD 3.42Å; V137-R149 HydrophobicContact CG1-CG 4.16Å |
| 150 | I | 92.9 | Very high | 88.7 | Confident | 26 Ų | 26 | 48.4 Ų | 48.4 | 13% | 0.133 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 122.5 | 164 | -57.1 | 173.3 | 0 | 0 | 0 | 106.9 | L131 N132 L133 V159 I161 A164 | L131-I150 HydrophobicContact CD1-CD1 3.78Å; L131-I150 HydrophobicContact CD1-CG1 4.17Å; N132-I150 WeakPolarHBondContact O-CA 3.42Å; L133-I150 HydrophobicContact CD2-CG1 4.09Å; I150-V159 HydrophobicContact CD1-CB 4.39Å; I150-V159 HydrophobicContact CD1-CG1 3.75Å; I150-I161 HydrophobicContact CD1-CB 4.23Å; I150-I161 HydrophobicContact CD1-CG1 4.37Å; I150-I161 HydrophobicContact CG1-CB 4.32Å; I150-I161 HydrophobicContact CG1-CG1 4.25Å; I150-A164 HydrophobicContact CD1-CB 3.59Å |
| 151 | P | 89.5 | Confident | 88.6 | Confident | 29 Ų | 29 | 48.4 Ų | 48.4 | 19% | 0.188 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 163.7 | 174.9 | 29.1 | -35.6 | 0 | 0 | 0 | 110.8 | N132 Q135 T153 | N132-P151 WeakPolarHBondContact ND2-CG 3.32Å; N132-P151 WeakPolarHBondContact O-CD 3.35Å; Q135-P151 HydrophobicContact CB-CB 4.21Å; P151-T153 PolarHBondContact O-N 3.48Å |
| 152 | P | 82 | Confident | 88.7 | Confident | 61 Ų | 61 | 47.5 Ų | 47.5 | 40% | 0.396 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -51.4 | 128.7 | 173.9 | -24.4 | 34.5 | 0 | 0 | 0 | 110.9 | G363 | P152-G363 VanDerWaalsContact CG-CA 3.48Š|
| 153 | T | 79.1 | Confident | 88.6 | Confident | 42 Ų | 42 | 52 Ų | 52 | 26% | 0.258 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -77.9 | 143.3 | -179 | 69.8 | 0 | 0 | 0 | 0 | 110.4 | P151 D155 G156 R157 V159 | P151-T153 PolarHBondContact O-N 3.48Å; T153-D155 WeakPolarHBondContact CB-OD1 3.35Å; T153-D155 PolarHBondContact O-N 3.08Å; T153-D155 PolarHBondContact OG1-OD1 3.39Å; T153-G156 PolarHBondContact O-N 3.34Å; T153-R157 PolarHBondContact OG1-N 3.25Å; T153-R157 PolarHBondContact OG1-O 3.14Å; T153-V159 HydrophobicContact CG2-CG2 4.2Å |
| 154 | V | 74.7 | Confident | 88.6 | Confident | 159 Ų | 159 | 49.5 Ų | 49.5 | 96% | 0.964 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -33.5 | 178.6 | -172.5 | 0 | 0 | 0 | 0 | 111.4 | G156 | V154-G156 PolarHBondContact O-N 3.22Š|
| 155 | D | 76.7 | Confident | 88.6 | Confident | 89 Ų | 89 | 48 Ų | 48 | 48% | 0.476 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 4 | -177.9 | 67.4 | 2.1 | 0 | 0 | 0 | 114.2 | T153 R157 | T153-D155 WeakPolarHBondContact CB-OD1 3.35Å; T153-D155 PolarHBondContact O-N 3.08Å; T153-D155 PolarHBondContact OG1-OD1 3.39Å; D155-R157 VanDerWaalsContact C-N 3.29Å; D155-R157 PolarHBondContact O-N 3.16Å; D155-R157 WeakPolarHBondContact OD1-CB 3.49Å; D155-R157 PolarHBondContact OD1-N 3.02Å; D155-R157 VanDerWaalsContact OD1-N 3.1Å; D155-R157 IonicContact OD1-NE 3.44Å; D155-R157 IonicContact OD2-CZ 3.05Å; D155-R157 IonicContact OD2-NE 3.65Å; D155-R157 PolarHBondContact OD2-NE 3.33Å; D155-R157 IonicContact OD2-NH2 3.09Å; D155-R157 PolarHBondContact OD2-NH2 2.96Å |
| 156 | G | 74 | Confident | 88.7 | Confident | 46 Ų | 46 | 43.2 Ų | 43.2 | 47% | 0.474 | 25% | 0.249 | S | C | . | . | trans | 73.9 | 15 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | T153 V154 P365 | T153-G156 PolarHBondContact O-N 3.34Å; V154-G156 PolarHBondContact O-N 3.22Å; G156-P365 WeakPolarHBondContact O-CB 3.23Å; G156-P365 WeakPolarHBondContact O-CG 3.31Å | ||
| 157 | R | 77.2 | Confident | 88.7 | Confident | 169 Ų | 169 | 48.3 Ų | 48.3 | 64% | 0.638 | 27% | 0.273 | S | S | * | . | trans | -89.4 | 126.9 | 176.5 | -69.4 | -171.5 | -70.6 | 169.1 | -4.6 | 112.5 | T153 D155 V159 | T153-R157 PolarHBondContact OG1-N 3.25Å; T153-R157 PolarHBondContact OG1-O 3.14Å; D155-R157 VanDerWaalsContact C-N 3.29Å; D155-R157 PolarHBondContact O-N 3.16Å; D155-R157 WeakPolarHBondContact OD1-CB 3.49Å; D155-R157 PolarHBondContact OD1-N 3.02Å; D155-R157 VanDerWaalsContact OD1-N 3.1Å; D155-R157 IonicContact OD1-NE 3.44Å; D155-R157 IonicContact OD2-CZ 3.05Å; D155-R157 IonicContact OD2-NE 3.65Å; D155-R157 PolarHBondContact OD2-NE 3.33Å; D155-R157 IonicContact OD2-NH2 3.09Å; D155-R157 PolarHBondContact OD2-NH2 2.96Å; R157-V159 PolarHBondContact O-N 3.43Å | ||
| 158 | A | 76.1 | Confident | 88.6 | Confident | 50 Ų | 50 | 51.2 Ų | 51.2 | 41% | 0.413 | 28% | 0.284 | S | S | . | . | trans | -70.7 | 119.7 | 170 | 0 | 0 | 0 | 0 | 0 | 110.1 | P365 | A158-P365 HydrophobicContact CB-CB 4.11Š| ||
| 159 | V | 83.2 | Confident | 88.7 | Confident | 56 Ų | 56 | 51.6 Ų | 51.6 | 34% | 0.339 | 29% | 0.285 | S | S | . | . | trans | -121.3 | 111.6 | 177.4 | -175.4 | 0 | 0 | 0 | 0 | 109.7 | I150 T153 R157 I161 A164 | I150-V159 HydrophobicContact CD1-CB 4.39Å; I150-V159 HydrophobicContact CD1-CG1 3.75Å; T153-V159 HydrophobicContact CG2-CG2 4.2Å; R157-V159 PolarHBondContact O-N 3.43Å; V159-I161 PolarHBondContact O-N 2.85Å; V159-A164 HydrophobicContact CG1-CB 3.88Å | ||
| 160 | A | 89.6 | Confident | 88.8 | Confident | 31 Ų | 31 | 52.9 Ų | 52.9 | 26% | 0.256 | 29% | 0.29 | S | S | . | . | trans | -68.3 | 125.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | G162 K163 A164 | A160-G162 PolarHBondContact O-N 3.49Å; A160-K163 HydrophobicContact CB-CB 4.23Å; A160-K163 WeakPolarHBondContact O-CB 3.46Å; A160-K163 PolarHBondContact O-N 3.25Å; A160-K163 VanDerWaalsContact O-N 3.1Å; A160-A164 PolarHBondContact O-N 2.93Å; A160-A164 VanDerWaalsContact O-N 3.07Å | ||
| 161 | I | 94 | Very high | 88.9 | Confident | 5 Ų | 5 | 53.4 Ų | 53.4 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -54.6 | -39.8 | 179.4 | -174.1 | 174.6 | 0 | 0 | 0 | 112.2 | I75 L133 H148 I150 V159 K163 A164 L165 L486 | I75-I161 HydrophobicContact CB-CD1 4.22Å; I75-I161 HydrophobicContact CG2-CD1 3.71Å; L133-I161 HydrophobicContact CD2-CD1 3.68Å; L133-I161 HydrophobicContact CD2-CG1 4.23Å; H148-I161 WeakPolarHBondContact O-CD1 3.28Å; I150-I161 HydrophobicContact CD1-CB 4.23Å; I150-I161 HydrophobicContact CD1-CG1 4.37Å; I150-I161 HydrophobicContact CG1-CB 4.32Å; I150-I161 HydrophobicContact CG1-CG1 4.25Å; V159-I161 PolarHBondContact O-N 2.85Å; I161-K163 PolarHBondContact O-N 2.9Å; I161-A164 PolarHBondContact O-N 3.42Å; I161-L165 HydrophobicContact CG1-CD1 4.03Å; I161-L165 HydrophobicContact CG1-CG 4.24Å; I161-L165 VanDerWaalsContact O-CG 3.32Å; I161-L165 WeakPolarHBondContact O-CG 3.43Å; I161-L165 PolarHBondContact O-N 3.13Å; I161-L486 HydrophobicContact CG2-CD1 4.12Å |
| 162 | G | 96.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | S68 A71 A160 A164 L165 V166 | S68-G162 CarbonylContact O-C 3.58Å; S68-G162 WeakPolarHBondContact O-CA 3.37Å; A71-G162 PolarHBondContact O-N 3.37Å; A160-G162 PolarHBondContact O-N 3.49Å; G162-A164 VanDerWaalsContact C-N 3.33Å; G162-A164 PolarHBondContact O-N 3.5Å; G162-L165 PolarHBondContact O-N 3.17Å; G162-V166 WeakPolarHBondContact O-CG2 3.4Å; G162-V166 PolarHBondContact O-N 3.47Å |
| 163 | K | 95.7 | Very high | 89.9 | Confident | 112 Ų | 112 | 49.5 Ų | 49.5 | 49% | 0.487 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 173.6 | -174 | 173.4 | -178.7 | 175.9 | 0 | 111.5 | A69 A160 I161 V166 Q167 | A69-K163 WeakPolarHBondContact O-CB 3.42Å; A69-K163 PolarHBondContact O-N 2.83Å; A160-K163 HydrophobicContact CB-CB 4.23Å; A160-K163 WeakPolarHBondContact O-CB 3.46Å; A160-K163 PolarHBondContact O-N 3.25Å; A160-K163 VanDerWaalsContact O-N 3.1Å; I161-K163 PolarHBondContact O-N 2.9Å; K163-V166 PolarHBondContact O-N 3.35Å; K163-Q167 WeakPolarHBondContact O-CB 3.29Å; K163-Q167 VanDerWaalsContact O-CG 3.28Å; K163-Q167 WeakPolarHBondContact O-CG 3.46Å; K163-Q167 PolarHBondContact O-N 3.19Å |
| 164 | A | 95.8 | Very high | 90.5 | Very high | 9 Ų | 9 | 51.4 Ų | 51.4 | 7% | 0.074 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.8 | -37.6 | -180 | 0 | 0 | 0 | 0 | 0 | 112.5 | L131 I150 V159 A160 I161 G162 R168 | L131-A164 HydrophobicContact CD1-CB 3.53Å; I150-A164 HydrophobicContact CD1-CB 3.59Å; V159-A164 HydrophobicContact CG1-CB 3.88Å; A160-A164 PolarHBondContact O-N 2.93Å; A160-A164 VanDerWaalsContact O-N 3.07Å; I161-A164 PolarHBondContact O-N 3.42Å; G162-A164 VanDerWaalsContact C-N 3.33Å; G162-A164 PolarHBondContact O-N 3.5Å; A164-R168 VanDerWaalsContact O-CB 3.3Å; A164-R168 WeakPolarHBondContact O-CB 3.42Å; A164-R168 PolarHBondContact O-N 3.3Å |
| 165 | L | 98.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.9 | -51.1 | 172.9 | -72.2 | 167.4 | 0 | 0 | 0 | 111.1 | L39 I75 L126 L131 I161 G162 Q167 R168 Y169 L486 I490 | L39-L165 HydrophobicContact CD1-CB 4.2Å; L39-L165 HydrophobicContact CD2-CB 4.26Å; L39-L165 HydrophobicContact CD2-CD1 4.3Å; I75-L165 HydrophobicContact CD1-CD1 4.33Å; L126-L165 HydrophobicContact CD1-CD2 3.47Å; L126-L165 VanDerWaalsContact CD1-CD2 3.47Å; L126-L165 HydrophobicContact CD2-CD2 3.85Å; L126-L165 HydrophobicContact CG-CD2 4.33Å; L131-L165 HydrophobicContact CD2-CD2 3.62Å; L131-L165 HydrophobicContact CD2-CG 4.16Å; I161-L165 HydrophobicContact CG1-CD1 4.03Å; I161-L165 HydrophobicContact CG1-CG 4.24Å; I161-L165 VanDerWaalsContact O-CG 3.32Å; I161-L165 WeakPolarHBondContact O-CG 3.43Å; I161-L165 PolarHBondContact O-N 3.13Å; G162-L165 PolarHBondContact O-N 3.17Å; L165-Q167 VanDerWaalsContact C-N 3.31Å; L165-Q167 PolarHBondContact O-N 2.98Å; L165-R168 PolarHBondContact O-N 2.83Å; L165-R168 VanDerWaalsContact O-N 3.12Å; L165-Y169 HydrophobicContact CD2-CE2 4.19Å; L165-Y169 WeakPolarHBondContact O-CD2 3.31Å; L165-Y169 PolarHBondContact O-N 3.26Å; L165-L486 HydrophobicContact CD1-CB 4.25Å; L165-L486 HydrophobicContact CD1-CD1 3.76Å; L165-L486 HydrophobicContact CD1-CD2 4.03Å; L165-L486 HydrophobicContact CD1-CG 4.24Å; L165-I490 HydrophobicContact CD2-CD1 4.29Å |
| 166 | V | 98.3 | Very high | 92 | Very high | 6 Ų | 6 | 42.7 Ų | 42.7 | 4% | 0.036 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -53.1 | -50.3 | 176.5 | 164.4 | 0 | 0 | 0 | 0 | 110.6 | L39 I42 I64 A69 G162 K163 R168 Y170 | L39-V166 HydrophobicContact CB-CG2 4.31Å; I42-V166 HydrophobicContact CD1-CB 4.42Å; I42-V166 HydrophobicContact CD1-CG1 3.75Å; I64-V166 HydrophobicContact CD1-CG1 4.17Å; I64-V166 HydrophobicContact CG1-CG1 4.25Å; A69-V166 HydrophobicContact CB-CG2 4.44Å; G162-V166 WeakPolarHBondContact O-CG2 3.4Å; G162-V166 PolarHBondContact O-N 3.47Å; K163-V166 PolarHBondContact O-N 3.35Å; V166-R168 VanDerWaalsContact C-N 3.35Å; V166-R168 PolarHBondContact O-N 2.79Å; V166-Y170 VanDerWaalsContact O-CB 3.25Å; V166-Y170 WeakPolarHBondContact O-CB 3.46Å; V166-Y170 PolarHBondContact O-N 3.2Å |
| 167 | Q | 97.3 | Very high | 92.7 | Very high | 108 Ų | 108 | 41.4 Ų | 41.4 | 51% | 0.505 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.4 | -44.4 | 178.5 | -73.7 | 173.6 | -23.9 | 0 | 0 | 111.8 | K163 L165 Y170 T171 | K163-Q167 WeakPolarHBondContact O-CB 3.29Å; K163-Q167 VanDerWaalsContact O-CG 3.28Å; K163-Q167 WeakPolarHBondContact O-CG 3.46Å; K163-Q167 PolarHBondContact O-N 3.19Å; L165-Q167 VanDerWaalsContact C-N 3.31Å; L165-Q167 PolarHBondContact O-N 2.98Å; Q167-Y170 PolarHBondContact O-N 2.97Å; Q167-T171 PolarHBondContact O-N 2.86Å; Q167-T171 PolarHBondContact O-OG1 3.45Å |
| 168 | R | 97.2 | Very high | 93 | Very high | 60 Ų | 60 | 38.3 Ų | 38.3 | 23% | 0.226 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70.5 | -44.8 | -175.3 | -162.9 | 65.5 | 75.2 | 174.6 | 11.3 | 112.7 | W129 G130 A164 L165 V166 Y170 T171 M172 | W129-R168 HydrophobicContact CB-CG 3.71Å; W129-R168 WeakPolarHBondContact O-CD 3.41Å; W129-R168 PolarHBondContact O-NE 2.86Å; W129-R168 PolarHBondContact O-NH1 2.93Å; W129-R168 PolarHBondContact O-NH2 3.27Å; G130-R168 PolarHBondContact O-NH2 2.84Å; A164-R168 VanDerWaalsContact O-CB 3.3Å; A164-R168 WeakPolarHBondContact O-CB 3.42Å; A164-R168 PolarHBondContact O-N 3.3Å; L165-R168 PolarHBondContact O-N 2.83Å; L165-R168 VanDerWaalsContact O-N 3.12Å; V166-R168 VanDerWaalsContact C-N 3.35Å; V166-R168 PolarHBondContact O-N 2.79Å; R168-Y170 VanDerWaalsContact C-N 3.3Å; R168-Y170 PolarHBondContact O-N 3.39Å; R168-T171 PolarHBondContact O-N 3.08Å; R168-M172 HydrophobicContact CG-CE 3.98Å; R168-M172 WeakPolarHBondContact O-CG 3.24Å; R168-M172 PolarHBondContact O-N 2.8Å; R168-M172 VanDerWaalsContact O-N 3.09Å |
| 169 | Y | 98.3 | Very high | 93.1 | Very high | 10 Ų | 10 | 45.2 Ų | 45.2 | 4% | 0.039 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.3 | -34.8 | 174.9 | -84.5 | -80.5 | 0 | 0 | 0 | 111.9 | L39 C43 L46 L126 L165 M172 V173 I490 | L39-Y169 HydrophobicContact CD1-CD2 3.78Å; L39-Y169 HydrophobicContact CD1-CE2 4.45Å; L39-Y169 HydrophobicContact CD1-CG 4.25Å; C43-Y169 VanDerWaalsContact SG-CD1 3.51Å; L46-Y169 HydrophobicContact CD2-CD1 3.9Å; L46-Y169 HydrophobicContact CD2-CE1 4.3Å; L126-Y169 HydrophobicContact CD2-CE2 3.8Å; L165-Y169 HydrophobicContact CD2-CE2 4.19Å; L165-Y169 WeakPolarHBondContact O-CD2 3.31Å; L165-Y169 PolarHBondContact O-N 3.26Å; Y169-M172 HydrophobicContact CD1-SD 3.71Å; Y169-M172 HydrophobicContact CE1-SD 3.98Å; Y169-M172 HydrophobicContact CG-SD 4.26Å; Y169-M172 WeakPolarHBondContact O-CB 3.25Å; Y169-M172 PolarHBondContact O-N 3.3Å; Y169-M172 VanDerWaalsContact O-N 3.17Å; Y169-V173 PolarHBondContact O-N 3.18Å; Y169-I490 HydrophobicContact CE1-CG2 4.29Å; Y169-I490 HydrophobicContact CE2-CD1 3.59Å; Y169-I490 HydrophobicContact CE2-CG1 3.79Å; Y169-I490 HydrophobicContact CE2-CG2 4.46Å; Y169-I490 WeakPolarHBondContact OH-CG2 3.33Å |
| 170 | Y | 97.8 | Very high | 92.3 | Very high | 42 Ų | 42 | 43.8 Ų | 43.8 | 17% | 0.165 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.6 | -39.3 | 175.4 | -168.1 | -101.8 | 0 | 0 | 0 | 112.1 | I42 I64 V166 Q167 R168 M172 V173 E174 F186 L188 | I42-Y170 HydrophobicContact CG2-CD2 4.48Å; I64-Y170 HydrophobicContact CD1-CD1 3.94Å; I64-Y170 HydrophobicContact CD1-CD2 3.45Å; I64-Y170 VanDerWaalsContact CD1-CD2 3.45Å; I64-Y170 HydrophobicContact CD1-CE1 4.38Å; I64-Y170 HydrophobicContact CD1-CE2 3.94Å; I64-Y170 HydrophobicContact CD1-CG 3.44Å; I64-Y170 VanDerWaalsContact CD1-CG 3.44Å; V166-Y170 VanDerWaalsContact O-CB 3.25Å; V166-Y170 WeakPolarHBondContact O-CB 3.46Å; V166-Y170 PolarHBondContact O-N 3.2Å; Q167-Y170 PolarHBondContact O-N 2.97Å; R168-Y170 VanDerWaalsContact C-N 3.3Å; R168-Y170 PolarHBondContact O-N 3.39Å; Y170-M172 VanDerWaalsContact C-N 3.25Å; Y170-M172 PolarHBondContact O-N 3.09Å; Y170-V173 WeakPolarHBondContact O-CA 3.21Å; Y170-V173 WeakPolarHBondContact O-CB 3.39Å; Y170-V173 PolarHBondContact O-N 3.33Å; Y170-E174 HydrophobicContact CD1-CG 4.14Å; Y170-E174 HydrophobicContact CE1-CG 3.85Å; Y170-E174 WeakPolarHBondContact CE1-OE1 3.44Å; Y170-E174 WeakPolarHBondContact O-CG 3.28Å; Y170-E174 PolarHBondContact O-N 3.46Å; Y170-F186 HydrophobicContact CE2-CZ 4.35Å; Y170-L188 HydrophobicContact CE2-CD2 4.3Å; Y170-L188 WeakPolarHBondContact OH-CD2 3.37Å |
| 171 | T | 95.9 | Very high | 90.6 | Very high | 37 Ų | 37 | 45.4 Ų | 45.4 | 23% | 0.227 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.1 | -37 | 169.7 | -60.9 | 0 | 0 | 0 | 0 | 112.1 | Q167 R168 V173 E174 L175 | Q167-T171 PolarHBondContact O-N 2.86Å; Q167-T171 PolarHBondContact O-OG1 3.45Å; R168-T171 PolarHBondContact O-N 3.08Å; T171-V173 VanDerWaalsContact C-N 3.35Å; T171-E174 PolarHBondContact O-N 3.18Å; T171-L175 HydrophobicContact CG2-CD1 4.09Å; T171-L175 WeakPolarHBondContact O-CB 3.35Å; T171-L175 VanDerWaalsContact O-CG 3.29Å; T171-L175 WeakPolarHBondContact O-CG 3.36Å; T171-L175 PolarHBondContact O-N 3.06Å |
| 172 | M | 95.2 | Very high | 88.7 | Confident | 8 Ų | 8 | 50.1 Ų | 50.1 | 4% | 0.039 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.9 | -39.1 | 173.7 | -61.7 | 167.9 | -169 | 0 | 0 | 111.8 | L46 L126 W129 R168 Y169 Y170 L175 A176 | L46-M172 HydrophobicContact CD1-CB 3.93Å; L46-M172 HydrophobicContact CD2-CB 3.73Å; L46-M172 HydrophobicContact CD2-CG 4.44Å; L46-M172 HydrophobicContact CD2-SD 3.81Å; L46-M172 HydrophobicContact CG-CB 4.48Å; L126-M172 HydrophobicContact CD2-CE 4.48Å; W129-M172 HydrophobicContact CB-CE 3.75Å; W129-M172 HydrophobicContact CD2-CE 3.45Å; W129-M172 VanDerWaalsContact CD2-CE 3.45Å; W129-M172 HydrophobicContact CD2-CG 3.86Å; W129-M172 HydrophobicContact CD2-SD 4.29Å; W129-M172 HydrophobicContact CE3-CE 4.21Å; W129-M172 HydrophobicContact CE3-CG 3.83Å; W129-M172 HydrophobicContact CG-CE 3.19Å; W129-M172 HydrophobicContact CH2-CB 4.43Å; W129-M172 HydrophobicContact CH2-CG 3.8Å; W129-M172 HydrophobicContact CZ2-CG 3.82Å; W129-M172 HydrophobicContact CZ2-SD 4.41Å; W129-M172 HydrophobicContact CZ3-CG 3.81Å; R168-M172 HydrophobicContact CG-CE 3.98Å; R168-M172 WeakPolarHBondContact O-CG 3.24Å; R168-M172 PolarHBondContact O-N 2.8Å; R168-M172 VanDerWaalsContact O-N 3.09Å; Y169-M172 HydrophobicContact CD1-SD 3.71Å; Y169-M172 HydrophobicContact CE1-SD 3.98Å; Y169-M172 HydrophobicContact CG-SD 4.26Å; Y169-M172 WeakPolarHBondContact O-CB 3.25Å; Y169-M172 PolarHBondContact O-N 3.3Å; Y169-M172 VanDerWaalsContact O-N 3.17Å; Y170-M172 VanDerWaalsContact C-N 3.25Å; Y170-M172 PolarHBondContact O-N 3.09Å; M172-L175 PolarHBondContact O-N 2.84Å; M172-A176 WeakPolarHBondContact O-CB 3.47Å; M172-A176 PolarHBondContact O-N 3.19Å |
| 173 | V | 95.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.1 | -48.8 | 173.6 | 165.4 | 0 | 0 | 0 | 0 | 110.7 | I42 T45 L46 L49 Y169 Y170 T171 L175 A176 A177 F186 | I42-V173 HydrophobicContact CG2-CG2 3.93Å; I42-V173 WeakPolarHBondContact O-CG2 3.36Å; T45-V173 HydrophobicContact CG2-CG1 3.71Å; T45-V173 HydrophobicContact CG2-CG2 4.02Å; L46-V173 HydrophobicContact CB-CG2 3.8Å; L49-V173 HydrophobicContact CD1-CG1 3.83Å; Y169-V173 PolarHBondContact O-N 3.18Å; Y170-V173 WeakPolarHBondContact O-CA 3.21Å; Y170-V173 WeakPolarHBondContact O-CB 3.39Å; Y170-V173 PolarHBondContact O-N 3.33Å; T171-V173 VanDerWaalsContact C-N 3.35Å; V173-L175 VanDerWaalsContact C-N 3.3Å; V173-L175 PolarHBondContact O-N 3.28Å; V173-A176 PolarHBondContact O-N 2.78Å; V173-A177 WeakPolarHBondContact O-CB 3.27Å; V173-A177 PolarHBondContact O-N 2.96Å; V173-F186 HydrophobicContact CG1-CD1 4.11Å; V173-F186 HydrophobicContact CG1-CD2 4.42Å; V173-F186 HydrophobicContact CG1-CE1 3.68Å; V173-F186 HydrophobicContact CG1-CE2 4.04Å; V173-F186 HydrophobicContact CG1-CG 4.47Å; V173-F186 HydrophobicContact CG1-CZ 3.65Å |
| 174 | E | 93.1 | Very high | 84.8 | Confident | 83 Ų | 83 | 52.7 Ų | 52.7 | 39% | 0.388 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.3 | -41.9 | 178.1 | -68.9 | 178.1 | 137 | 0 | 0 | 111.7 | Y170 T171 F178 | Y170-E174 HydrophobicContact CD1-CG 4.14Å; Y170-E174 HydrophobicContact CE1-CG 3.85Å; Y170-E174 WeakPolarHBondContact CE1-OE1 3.44Å; Y170-E174 WeakPolarHBondContact O-CG 3.28Å; Y170-E174 PolarHBondContact O-N 3.46Å; T171-E174 PolarHBondContact O-N 3.18Å; E174-F178 WeakPolarHBondContact O-CB 3.44Å; E174-F178 PolarHBondContact O-N 2.69Å |
| 175 | L | 90.8 | Very high | 84 | Confident | 57 Ų | 57 | 53.4 Ų | 53.4 | 30% | 0.298 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -69.2 | -38.2 | 177 | -71.1 | 169.3 | 0 | 0 | 0 | 112.9 | W129 T171 M172 V173 F178 R179 | W129-L175 HydrophobicContact CH2-CD1 4.08Å; W129-L175 HydrophobicContact CZ3-CD1 3.58Å; T171-L175 HydrophobicContact CG2-CD1 4.09Å; T171-L175 WeakPolarHBondContact O-CB 3.35Å; T171-L175 VanDerWaalsContact O-CG 3.29Å; T171-L175 WeakPolarHBondContact O-CG 3.36Å; T171-L175 PolarHBondContact O-N 3.06Å; M172-L175 PolarHBondContact O-N 2.84Å; V173-L175 VanDerWaalsContact C-N 3.3Å; V173-L175 PolarHBondContact O-N 3.28Å; L175-F178 PolarHBondContact O-N 2.97Å; L175-R179 WeakPolarHBondContact O-CG 3.46Å; L175-R179 PolarHBondContact O-N 2.88Å |
| 176 | A | 90.6 | Very high | 83.7 | Confident | 8 Ų | 8 | 55 Ų | 55 | 7% | 0.066 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.5 | -45.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L46 L49 M172 V173 F178 R179 T180 | L46-A176 HydrophobicContact CD1-CB 3.9Å; L49-A176 HydrophobicContact CB-CB 4.06Å; L49-A176 HydrophobicContact CD1-CB 4.32Å; M172-A176 WeakPolarHBondContact O-CB 3.47Å; M172-A176 PolarHBondContact O-N 3.19Å; V173-A176 PolarHBondContact O-N 2.78Å; A176-F178 VanDerWaalsContact C-N 3.29Å; A176-F178 PolarHBondContact O-N 2.59Å; A176-R179 PolarHBondContact O-N 3.45Å; A176-T180 PolarHBondContact O-N 3.39Å; A176-T180 PolarHBondContact O-OG1 2.77Å |
| 177 | A | 89.2 | Confident | 83.4 | Confident | 18 Ų | 18 | 58.5 Ų | 58.5 | 15% | 0.149 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.1 | -35.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L49 V173 T180 F186 | L49-A177 HydrophobicContact CD1-CB 4.32Å; V173-A177 WeakPolarHBondContact O-CB 3.27Å; V173-A177 PolarHBondContact O-N 2.96Å; A177-T180 PolarHBondContact O-OG1 2.68Å; A177-F186 HydrophobicContact CB-CB 3.6Å; A177-F186 HydrophobicContact CB-CD1 4.02Å; A177-F186 HydrophobicContact CB-CG 4.13Å |
| 178 | F | 85.1 | Confident | 83.4 | Confident | 105 Ų | 105 | 55.8 Ų | 55.8 | 46% | 0.461 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -71 | -37.3 | 175.7 | -175.2 | -96.1 | 0 | 0 | 0 | 112.6 | L18 E174 L175 A176 T180 S181 | L18-F178 HydrophobicContact CD2-CE2 3.91Å; L18-F178 HydrophobicContact CD2-CZ 4.13Å; E174-F178 WeakPolarHBondContact O-CB 3.44Å; E174-F178 PolarHBondContact O-N 2.69Å; L175-F178 PolarHBondContact O-N 2.97Å; A176-F178 VanDerWaalsContact C-N 3.29Å; A176-F178 PolarHBondContact O-N 2.59Å; F178-T180 PolarHBondContact O-N 2.84Å; F178-S181 WeakPolarHBondContact O-CB 3.4Å; F178-S181 PolarHBondContact O-N 2.96Å; F178-S181 PolarHBondContact O-OG 2.93Å |
| 179 | R | 77.2 | Confident | 83.2 | Confident | 195 Ų | 195 | 53.7 Ų | 53.7 | 74% | 0.736 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -65 | -24.4 | -179.9 | -74.9 | 172.3 | -174 | -177.6 | 2.7 | 113.3 | L175 A176 | L175-R179 WeakPolarHBondContact O-CG 3.46Å; L175-R179 PolarHBondContact O-N 2.88Å; A176-R179 PolarHBondContact O-N 3.45Å |
| 180 | T | 66.6 | Low | 83.1 | Confident | 25 Ų | 25 | 55.5 Ų | 55.5 | 15% | 0.153 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 0.4 | -179.5 | 59.8 | 0 | 0 | 0 | 0 | 112.8 | A176 A177 F178 A182 Q183 | A176-T180 PolarHBondContact O-N 3.39Å; A176-T180 PolarHBondContact O-OG1 2.77Å; A177-T180 PolarHBondContact O-OG1 2.68Å; F178-T180 PolarHBondContact O-N 2.84Å; T180-A182 PolarHBondContact O-N 3.4Å; T180-Q183 PolarHBondContact O-N 2.86Å; T180-Q183 VanDerWaalsContact O-O 3.13Å |
| 181 | S | 53.2 | Low | 83 | Confident | 65 Ų | 65 | 56.3 Ų | 56.3 | 46% | 0.455 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 5.5 | -166.2 | 68.6 | 0 | 0 | 0 | 0 | 117.6 | F178 Q183 | F178-S181 WeakPolarHBondContact O-CB 3.4Å; F178-S181 PolarHBondContact O-N 2.96Å; F178-S181 PolarHBondContact O-OG 2.93Å; S181-Q183 PolarHBondContact O-N 3.44Å |
| 182 | A | 55.1 | Low | 83 | Confident | 104 Ų | 104 | 55.1 Ų | 55.1 | 86% | 0.86 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -18.2 | 159.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | T180 | T180-A182 PolarHBondContact O-N 3.4Š|
| 183 | Q | 53.7 | Low | 83.1 | Confident | 132 Ų | 132 | 56 Ų | 56 | 62% | 0.617 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -141.2 | 130.7 | 176.6 | -70.5 | 174.7 | 17.6 | 0 | 0 | 108.4 | T180 S181 H185 | T180-Q183 PolarHBondContact O-N 2.86Å; T180-Q183 VanDerWaalsContact O-O 3.13Å; S181-Q183 PolarHBondContact O-N 3.44Å; Q183-H185 WeakPolarHBondContact CB-NE2 3.4Å; Q183-H185 PolarHBondContact O-CD2 2.76Å; Q183-H185 PolarHBondContact O-N 3.08Å; Q183-H185 PolarHBondContact O-NE2 3.1Å |
| 184 | G | 57.2 | Low | 83.1 | Confident | 35 Ų | 35 | 56.6 Ų | 56.6 | 36% | 0.361 | 31% | 0.307 | S | S | . | . | trans | -76.9 | 82.3 | -166.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 185 | H | 78.3 | Confident | 83.1 | Confident | 23 Ų | 23 | 55.1 Ų | 55.1 | 11% | 0.106 | 30% | 0.304 | C | S | . | . | trans | -95.2 | 2 | -166.1 | -62.7 | -67.8 | 0 | 0 | 0 | 117.4 | L49 N54 V55 Q183 | L49-H185 HydrophobicContact CD2-CB 4.49Å; N54-H185 CarbonylContact C-O 3.53Å; N54-H185 WeakPolarHBondContact CA-O 3.33Å; N54-H185 VanDerWaalsContact CG-ND1 3.27Å; N54-H185 PolarHBondContact OD1-ND1 2.95Å; V55-H185 PolarHBondContact N-O 3.17Å; Q183-H185 WeakPolarHBondContact CB-NE2 3.4Å; Q183-H185 PolarHBondContact O-CD2 2.76Å; Q183-H185 PolarHBondContact O-N 3.08Å; Q183-H185 PolarHBondContact O-NE2 3.1Å | ||
| 186 | F | 92.1 | Very high | 83.3 | Confident | 35 Ų | 35 | 54.4 Ų | 54.4 | 15% | 0.154 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 132.6 | -178.8 | 177.7 | -122.8 | 0 | 0 | 0 | 113.3 | T45 L49 V55 L57 Y170 V173 A177 L188 | T45-F186 HydrophobicContact CG2-CD2 3.83Å; T45-F186 HydrophobicContact CG2-CE2 3.45Å; T45-F186 VanDerWaalsContact CG2-CE2 3.45Å; T45-F186 HydrophobicContact CG2-CZ 4.24Å; L49-F186 HydrophobicContact CD1-CB 4.45Å; L49-F186 HydrophobicContact CD1-CD2 4.35Å; L49-F186 HydrophobicContact CD1-CG 4.37Å; L49-F186 HydrophobicContact CD2-CB 4.11Å; V55-F186 HydrophobicContact CB-CD2 4.46Å; V55-F186 WeakPolarHBondContact O-CA 3.06Å; L57-F186 HydrophobicContact CB-CE2 3.9Å; L57-F186 HydrophobicContact CB-CZ 4.46Å; Y170-F186 HydrophobicContact CE2-CZ 4.35Å; V173-F186 HydrophobicContact CG1-CD1 4.11Å; V173-F186 HydrophobicContact CG1-CD2 4.42Å; V173-F186 HydrophobicContact CG1-CE1 3.68Å; V173-F186 HydrophobicContact CG1-CE2 4.04Å; V173-F186 HydrophobicContact CG1-CG 4.47Å; V173-F186 HydrophobicContact CG1-CZ 3.65Å; A177-F186 HydrophobicContact CB-CB 3.6Å; A177-F186 HydrophobicContact CB-CD1 4.02Å; A177-F186 HydrophobicContact CB-CG 4.13Å; F186-L188 HydrophobicContact CZ-CB 4.09Å |
| 187 | R | 92.6 | Very high | 83.7 | Confident | 78 Ų | 78 | 54.9 Ų | 54.9 | 29% | 0.294 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 132.1 | 172.3 | -171.3 | 175.3 | -178.6 | 179.8 | -1.5 | 111 | V55 T56 L57 L189 | V55-R187 PolarHBondContact O-N 3.49Å; T56-R187 CarbonylContact C-O 3.58Å; T56-R187 WeakPolarHBondContact CA-O 3.42Å; T56-R187 HydrophobicContact CG2-CB 4.5Å; L57-R187 PolarHBondContact N-O 3.47Å; R187-L189 HydrophobicContact CG-CD2 4.19Å; R187-L189 HydrophobicContact CG-CG 4.27Å |
| 188 | L | 95.4 | Very high | 83.9 | Confident | 52 Ų | 52 | 54.5 Ų | 54.5 | 27% | 0.272 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 126.9 | 165.8 | 174.1 | 62.4 | 0 | 0 | 0 | 109.3 | L57 I64 Y170 F186 T190 | L57-L188 HydrophobicContact CB-CD1 4.26Å; L57-L188 HydrophobicContact CD2-CD1 4.03Å; L57-L188 HydrophobicContact CG-CD1 3.93Å; L57-L188 CarbonylContact O-C 3.53Å; L57-L188 WeakPolarHBondContact O-CA 3.4Å; I64-L188 HydrophobicContact CG2-CD1 4.22Å; I64-L188 HydrophobicContact CG2-CD2 3.98Å; Y170-L188 HydrophobicContact CE2-CD2 4.3Å; Y170-L188 WeakPolarHBondContact OH-CD2 3.37Å; F186-L188 HydrophobicContact CZ-CB 4.09Å; L188-T190 HydrophobicContact CD1-CG2 4.23Å; L188-T190 HydrophobicContact CD2-CG2 4.04Å; L188-T190 HydrophobicContact CG-CG2 4.04Å |
| 189 | L | 94.8 | Very high | 84.2 | Confident | 16 Ų | 16 | 52.8 Ų | 52.8 | 8% | 0.084 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 95.7 | 173 | -67.3 | -178.2 | 0 | 0 | 0 | 109.1 | T56 L57 I58 E59 R187 T192 I220 | T56-L189 HydrophobicContact CG2-CD1 3.76Å; T56-L189 HydrophobicContact CG2-CG 4.1Å; L57-L189 PolarHBondContact O-N 2.98Å; I58-L189 CarbonylContact C-O 3.26Å; I58-L189 HydrophobicContact CG1-CB 4.44Å; I58-L189 HydrophobicContact CG1-CD1 4.39Å; E59-L189 PolarHBondContact N-O 3.42Å; R187-L189 HydrophobicContact CG-CD2 4.19Å; R187-L189 HydrophobicContact CG-CG 4.27Å; L189-T192 HydrophobicContact CB-CG2 4.38Å; L189-I220 HydrophobicContact CD1-CD1 3.67Å |
| 190 | T | 96.3 | Very high | 84.8 | Confident | 48 Ų | 48 | 46.3 Ų | 46.3 | 29% | 0.294 | 28% | 0.284 | S | S | . | . | trans | -82.5 | 169 | 169.3 | 52.7 | 0 | 0 | 0 | 0 | 110.9 | E59 E61 L188 T192 | E59-T190 HydrophobicContact CB-CG2 4.34Å; E59-T190 CarbonylContact O-C 3.56Å; E59-T190 VanDerWaalsContact O-C 3.25Å; E59-T190 VanDerWaalsContact O-CA 3.3Å; E59-T190 WeakPolarHBondContact O-CA 3.24Å; E61-T190 WeakPolarHBondContact O-CB 3.44Å; L188-T190 HydrophobicContact CD1-CG2 4.23Å; L188-T190 HydrophobicContact CD2-CG2 4.04Å; L188-T190 HydrophobicContact CG-CG2 4.04Å; T190-T192 PolarHBondContact O-N 3.24Å; T190-T192 PolarHBondContact O-OG1 3Å | ||
| 191 | N | 95.7 | Very high | 85.7 | Confident | 59 Ų | 59 | 54.3 Ų | 54.3 | 32% | 0.316 | 32% | 0.317 | S | S | . | . | S | Bend | trans | 52.7 | 29.6 | -177.3 | -58.6 | -60.6 | 0 | 0 | 0 | 112.5 | E59 M60 E61 S62 D211 V212 | E59-N191 PolarHBondContact O-N 3.07Å; M60-N191 WeakPolarHBondContact O-CA 3.18Å; E61-N191 PolarHBondContact O-N 3.08Å; S62-N191 VanDerWaalsContact CA-OD1 3.32Å; S62-N191 WeakPolarHBondContact CA-OD1 3.45Å; S62-N191 WeakPolarHBondContact CB-OD1 3.4Å; S62-N191 PolarHBondContact N-OD1 3.13Å; N191-D211 VanDerWaalsContact O-OD1 3.06Å; N191-V212 HydrophobicContact CB-CG1 4.35Å; N191-V212 HydrophobicContact CB-CG2 3.73Å; N191-V212 WeakPolarHBondContact O-CG1 3.4Å; N191-V212 PolarHBondContact O-N 2.96Å |
| 192 | T | 95.9 | Very high | 87.1 | Confident | 11 Ų | 11 | 56.1 Ų | 56.1 | 7% | 0.067 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 114.1 | -174.2 | -59.8 | 0 | 0 | 0 | 0 | 108.6 | I58 E59 M60 L189 T190 V209 K210 | I58-T192 HydrophobicContact CG2-CG2 3.95Å; I58-T192 WeakPolarHBondContact CG2-O 3.47Å; E59-T192 CarbonylContact C-O 3.54Å; E59-T192 VanDerWaalsContact C-O 3.26Å; E59-T192 PolarHBondContact O-N 3.04Å; E59-T192 VanDerWaalsContact O-O 3.11Å; M60-T192 WeakPolarHBondContact CA-O 3.49Å; M60-T192 PolarHBondContact N-O 3.06Å; L189-T192 HydrophobicContact CB-CG2 4.38Å; T190-T192 PolarHBondContact O-N 3.24Å; T190-T192 PolarHBondContact O-OG1 3Å; T192-V209 HydrophobicContact CG2-CB 3.64Å; T192-V209 HydrophobicContact CG2-CG1 4.05Å; T192-V209 HydrophobicContact CG2-CG2 3.95Å; T192-K210 CarbonylContact C-O 3.52Å; T192-K210 WeakPolarHBondContact CA-O 3.34Å |
| 193 | A | 95.7 | Very high | 88.9 | Confident | 27 Ų | 27 | 51.9 Ų | 51.9 | 22% | 0.223 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 122.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | M60 V209 K210 | M60-A193 HydrophobicContact CB-CB 4.25Å; A193-V209 CarbonylContact O-C 3.05Å; A193-V209 VanDerWaalsContact O-CA 3.25Å; A193-V209 WeakPolarHBondContact O-CA 3.49Å; A193-K210 PolarHBondContact N-O 3.22Å; A193-K210 PolarHBondContact O-N 3.41Å |
| 194 | A | 96.1 | Very high | 90.8 | Very high | 12 Ų | 12 | 46 Ų | 46 | 10% | 0.099 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 124.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | V35 V207 V208 V209 M267 | V35-A194 HydrophobicContact CG1-CB 3.51Å; V35-A194 HydrophobicContact CG2-CB 4.16Å; A194-V207 HydrophobicContact CB-CB 4.43Å; A194-V208 CarbonylContact C-O 3.56Å; A194-V208 WeakPolarHBondContact CA-O 3.21Å; A194-V209 HydrophobicContact CB-CG1 4.33Å; A194-M267 HydrophobicContact CB-CE 4.16Å; A194-M267 HydrophobicContact CB-SD 4.3Å |
| 195 | T | 94.5 | Very high | 92.6 | Very high | 53 Ų | 53 | 45.5 Ų | 45.5 | 33% | 0.325 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | -23.7 | -173.7 | 59 | 0 | 0 | 0 | 0 | 113.3 | V208 K210 | T195-V208 PolarHBondContact N-O 3.38Å; T195-K210 HydrophobicContact CG2-CB 4.34Å; T195-K210 HydrophobicContact CG2-CD 4.07Å; T195-K210 HydrophobicContact CG2-CG 3.92Å |
| 196 | S | 95 | Very high | 93.4 | Very high | 42 Ų | 42 | 44.4 Ų | 44.4 | 29% | 0.294 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 153.6 | -179.3 | -49.2 | 0 | 0 | 0 | 0 | 111.3 | V207 V208 M267 | S196-V207 WeakPolarHBondContact O-CA 3.45Å; S196-V208 PolarHBondContact O-N 3Å; S196-M267 PolarHBondContact N-SD 3.23Å; S196-M267 VanDerWaalsContact N-SD 3.4Å |
| 197 | L | 97.2 | Very high | 93.6 | Very high | 17 Ų | 17 | 42.8 Ų | 42.8 | 9% | 0.089 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 139.5 | 168 | -66.8 | 167.4 | 0 | 0 | 0 | 109.2 | V204 V207 V225 L227 M267 V271 L465 | L197-V204 HydrophobicContact CD1-CG2 4.38Å; L197-V204 HydrophobicContact CD2-CG1 4.06Å; L197-V207 HydrophobicContact CD2-CG1 4.18Å; L197-V225 HydrophobicContact CD2-CB 4.29Å; L197-V225 HydrophobicContact CD2-CG1 3.81Å; L197-V225 HydrophobicContact CD2-CG2 4.46Å; L197-L227 HydrophobicContact CD2-CD2 4.39Å; L197-M267 HydrophobicContact CD1-CB 4.36Å; L197-M267 HydrophobicContact CG-CB 4.24Å; L197-V271 HydrophobicContact CB-CG1 3.97Å; L197-V271 HydrophobicContact CD1-CB 4.5Å; L197-V271 HydrophobicContact CD1-CG1 4.06Å; L197-V271 HydrophobicContact CD1-CG2 3.58Å; L197-L465 HydrophobicContact CD1-CD1 3.93Å; L197-L465 HydrophobicContact CD1-CD2 3.98Å; L197-L465 HydrophobicContact CD2-CD1 3.99Å |
| 198 | V | 94.1 | Very high | 93.7 | Very high | 11 Ų | 11 | 39.7 Ų | 39.7 | 7% | 0.067 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 132.7 | 168.7 | 164.2 | 0 | 0 | 0 | 0 | 108.2 | V204 A205 G206 V208 V219 F517 | V198-V204 CarbonylContact O-C 3.46Å; V198-V204 WeakPolarHBondContact O-CA 3.42Å; V198-A205 HydrophobicContact CG1-CB 4.2Å; V198-A205 PolarHBondContact O-N 3.06Å; V198-G206 PolarHBondContact N-O 3.39Å; V198-V208 HydrophobicContact CG2-CG2 4.08Å; V198-V219 HydrophobicContact CG2-CG1 3.79Å; V198-F517 HydrophobicContact CB-CE1 4.37Å; V198-F517 HydrophobicContact CG1-CD1 3.82Å; V198-F517 HydrophobicContact CG1-CE1 3.32Å; V198-F517 HydrophobicContact CG1-CZ 4.39Å; V198-F517 HydrophobicContact CG2-CD1 4.41Å; V198-F517 HydrophobicContact CG2-CE1 4.19Å |
| 199 | T | 92.1 | Very high | 93.7 | Very high | 68 Ų | 68 | 37.3 Ų | 37.3 | 42% | 0.417 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 152.6 | 175.8 | 55.6 | 0 | 0 | 0 | 0 | 111.8 | G203 V204 V271 | T199-G203 CarbonylContact C-O 3.52Å; T199-G203 WeakPolarHBondContact CA-O 3.26Å; T199-V204 HydrophobicContact CG2-CG2 4.4Å; T199-V271 HydrophobicContact CG2-CB 4.33Å; T199-V271 HydrophobicContact CG2-CG1 3.61Å |
| 200 | S | 89.4 | Confident | 93.6 | Very high | 59 Ų | 59 | 40 Ų | 40 | 41% | 0.413 | 23% | 0.227 | S | C | . | . | trans | -126 | -178.9 | 168.9 | 78 | 0 | 0 | 0 | 0 | 109.1 | E202 G203 | S200-E202 PolarHBondContact O-N 2.93Å; S200-E202 VanDerWaalsContact O-N 3.16Å; S200-E202 PolarHBondContact OG-N 3Å; S200-E202 VanDerWaalsContact OG-N 3.12Å; S200-G203 PolarHBondContact N-O 3.42Å; S200-G203 PolarHBondContact O-N 3.33Å | ||
| 201 | K | 85.7 | Confident | 93.2 | Very high | 194 Ų | 194 | 40 Ų | 40 | 84% | 0.843 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -59.2 | -23.9 | 172 | -68.1 | -175.9 | 179.7 | -179.5 | 0 | 113.2 | ||
| 202 | E | 82.5 | Confident | 92.2 | Very high | 102 Ų | 102 | 40.5 Ų | 40.5 | 48% | 0.477 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -92.4 | -23.3 | -176.2 | -63.8 | -165.7 | -160.2 | 0 | 0 | 113.5 | S200 K463 L508 | S200-E202 PolarHBondContact O-N 2.93Å; S200-E202 VanDerWaalsContact O-N 3.16Å; S200-E202 PolarHBondContact OG-N 3Å; S200-E202 VanDerWaalsContact OG-N 3.12Å; E202-K463 HydrophobicContact CB-CD 4.35Å; E202-K463 VanDerWaalsContact O-CB 3.28Å; E202-K463 WeakPolarHBondContact O-CB 3.31Å; E202-K463 WeakPolarHBondContact O-CD 3.29Å; E202-K463 IonicContact OE2-NZ 2.68Å; E202-K463 PolarHBondContact OE2-NZ 3.06Å; E202-L508 WeakPolarHBondContact OE2-CD2 3.5Å |
| 203 | G | 92 | Very high | 91.4 | Very high | 16 Ų | 16 | 46.1 Ų | 46.1 | 17% | 0.165 | 26% | 0.259 | C | S | . | . | S | Bend | trans | 152 | -153.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T199 S200 K463 | T199-G203 CarbonylContact C-O 3.52Å; T199-G203 WeakPolarHBondContact CA-O 3.26Å; S200-G203 PolarHBondContact N-O 3.42Å; S200-G203 PolarHBondContact O-N 3.33Å; G203-K463 WeakPolarHBondContact CA-O 3.33Å |
| 204 | V | 95.2 | Very high | 90.2 | Very high | 7 Ų | 7 | 47 Ų | 47 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 136.8 | 173.2 | 171.6 | 0 | 0 | 0 | 0 | 109.8 | L197 V198 T199 V225 I462 K463 L465 | L197-V204 HydrophobicContact CD1-CG2 4.38Å; L197-V204 HydrophobicContact CD2-CG1 4.06Å; V198-V204 CarbonylContact O-C 3.46Å; V198-V204 WeakPolarHBondContact O-CA 3.42Å; T199-V204 HydrophobicContact CG2-CG2 4.4Å; V204-V225 HydrophobicContact CG1-CB 3.98Å; V204-V225 HydrophobicContact CG1-CG2 3.64Å; V204-I462 HydrophobicContact CG2-CG2 4.07Å; V204-K463 PolarHBondContact N-O 3.34Å; V204-L465 HydrophobicContact CB-CB 4.18Å; V204-L465 HydrophobicContact CG1-CD1 4.44Å; V204-L465 HydrophobicContact CG2-CB 3.88Å; V204-L465 HydrophobicContact CG2-CD1 4.31Å; V204-L465 HydrophobicContact CG2-CD2 4.19Å; V204-L465 HydrophobicContact CG2-CG 4.34Å |
| 205 | A | 94.3 | Very high | 89.3 | Confident | 26 Ų | 26 | 52.1 Ų | 52.1 | 22% | 0.215 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 22.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | V198 P221 A222 | V198-A205 HydrophobicContact CG1-CB 4.2Å; V198-A205 PolarHBondContact O-N 3.06Å; A205-P221 WeakPolarHBondContact O-CA 3.34Å; A205-A222 CarbonylContact C-O 3.43Å; A205-A222 VanDerWaalsContact CA-O 3.31Å; A205-A222 WeakPolarHBondContact CA-O 3.22Å; A205-A222 PolarHBondContact O-N 3.42Å; A205-A222 VanDerWaalsContact O-N 3.09Å |
| 206 | G | 94.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 139.5 | -161.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | V198 I220 | V198-G206 PolarHBondContact N-O 3.39Å; G206-I220 VanDerWaalsContact CA-O 3.25Å; G206-I220 WeakPolarHBondContact CA-O 3.12Å |
| 207 | V | 96.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 151.4 | -178.1 | -65.5 | 0 | 0 | 0 | 0 | 112 | V33 V35 I58 A194 S196 L197 V209 V219 I220 V225 | V33-V207 HydrophobicContact CG1-CG1 4.22Å; V33-V207 HydrophobicContact CG1-CG2 3.83Å; V35-V207 HydrophobicContact CG2-CG1 4.07Å; I58-V207 HydrophobicContact CD1-CG2 3.76Å; A194-V207 HydrophobicContact CB-CB 4.43Å; S196-V207 WeakPolarHBondContact O-CA 3.45Å; L197-V207 HydrophobicContact CD2-CG1 4.18Å; V207-V209 HydrophobicContact CG2-CG1 3.8Å; V207-V219 WeakPolarHBondContact O-CA 3.42Å; V207-I220 HydrophobicContact CG2-CB 4.02Å; V207-I220 PolarHBondContact N-O 2.92Å; V207-I220 PolarHBondContact O-N 3.37Å; V207-V225 HydrophobicContact CG1-CG1 3.83Å; V207-V225 HydrophobicContact CG1-CG2 3.95Å |
| 208 | V | 95.2 | Very high | 88 | Confident | 14 Ų | 14 | 58.5 Ų | 58.5 | 9% | 0.085 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 129.2 | 160.5 | -176 | 0 | 0 | 0 | 0 | 107.8 | A194 T195 S196 V198 T217 V219 | A194-V208 CarbonylContact C-O 3.56Å; A194-V208 WeakPolarHBondContact CA-O 3.21Å; T195-V208 PolarHBondContact N-O 3.38Å; S196-V208 PolarHBondContact O-N 3Å; V198-V208 HydrophobicContact CG2-CG2 4.08Å; V208-T217 HydrophobicContact CG1-CG2 3.62Å; V208-V219 HydrophobicContact CG2-CG2 4.38Å |
| 209 | V | 95.1 | Very high | 88 | Confident | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.012 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 151 | 176.3 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | I58 T192 A193 A194 V207 T217 R218 I220 | I58-V209 HydrophobicContact CD1-CG1 3.69Å; T192-V209 HydrophobicContact CG2-CB 3.64Å; T192-V209 HydrophobicContact CG2-CG1 4.05Å; T192-V209 HydrophobicContact CG2-CG2 3.95Å; A193-V209 CarbonylContact O-C 3.05Å; A193-V209 VanDerWaalsContact O-CA 3.25Å; A193-V209 WeakPolarHBondContact O-CA 3.49Å; A194-V209 HydrophobicContact CB-CG1 4.33Å; V207-V209 HydrophobicContact CG2-CG1 3.8Å; V209-T217 WeakPolarHBondContact O-CA 3.43Å; V209-R218 HydrophobicContact CG2-CG 3.47Å; V209-R218 VanDerWaalsContact CG2-CG 3.47Å; V209-R218 PolarHBondContact N-O 3.16Å; V209-R218 PolarHBondContact O-N 3.18Å; V209-I220 HydrophobicContact CG1-CD1 3.92Å; V209-I220 HydrophobicContact CG1-CG1 4.43Å; V209-I220 HydrophobicContact CG2-CD1 3.88Å; V209-I220 HydrophobicContact CG2-CG1 4.11Å |
| 210 | K | 92.8 | Very high | 88 | Confident | 73 Ų | 73 | 58.1 Ų | 58.1 | 32% | 0.317 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 143.1 | 168.5 | -60.3 | -168 | 179 | -177.1 | 0 | 110.2 | T192 A193 T195 E216 T217 | T192-K210 CarbonylContact C-O 3.52Å; T192-K210 WeakPolarHBondContact CA-O 3.34Å; A193-K210 PolarHBondContact N-O 3.22Å; A193-K210 PolarHBondContact O-N 3.41Å; T195-K210 HydrophobicContact CG2-CB 4.34Å; T195-K210 HydrophobicContact CG2-CD 4.07Å; T195-K210 HydrophobicContact CG2-CG 3.92Å; K210-E216 VanDerWaalsContact CA-O 3.23Å; K210-E216 WeakPolarHBondContact CA-O 3.44Å; K210-T217 WeakPolarHBondContact CE-OG1 3.07Å; K210-T217 HydrophobicContact CG-CG2 4.13Å; K210-T217 WeakPolarHBondContact CG-OG1 3.33Å |
| 211 | D | 87.9 | Confident | 88.2 | Confident | 46 Ų | 46 | 57.5 Ų | 57.5 | 25% | 0.246 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 149.2 | 160.2 | 179.3 | 60.3 | 0 | 0 | 0 | 109.2 | N191 N213 G214 E216 | N191-D211 VanDerWaalsContact O-OD1 3.06Å; D211-N213 PolarHBondContact O-N 3.48Å; D211-N213 VanDerWaalsContact O-N 3.16Å; D211-N213 VanDerWaalsContact OD2-CB 3.27Å; D211-N213 WeakPolarHBondContact OD2-CB 3.37Å; D211-N213 PolarHBondContact OD2-N 2.86Å; D211-N213 VanDerWaalsContact OD2-N 3.09Å; D211-N213 PolarHBondContact OD2-ND2 3.44Å; D211-G214 WeakPolarHBondContact O-CA 3.3Å; D211-G214 PolarHBondContact O-N 3.42Å; D211-E216 PolarHBondContact N-O 3.03Å; D211-E216 VanDerWaalsContact N-O 3.15Å |
| 212 | V | 75.9 | Confident | 88.6 | Confident | 71 Ų | 71 | 48.5 Ų | 48.5 | 43% | 0.43 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -23.2 | -179.4 | -72.4 | 0 | 0 | 0 | 0 | 113.5 | M60 N191 G214 | M60-V212 WeakPolarHBondContact O-CG1 3.3Å; N191-V212 HydrophobicContact CB-CG1 4.35Å; N191-V212 HydrophobicContact CB-CG2 3.73Å; N191-V212 WeakPolarHBondContact O-CG1 3.4Å; N191-V212 PolarHBondContact O-N 2.96Å; V212-G214 PolarHBondContact O-N 3.17Å |
| 213 | N | 77.2 | Confident | 89.1 | Confident | 128 Ų | 128 | 44.7 Ų | 44.7 | 68% | 0.684 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -4.7 | 172.8 | -55.7 | -60.2 | 0 | 0 | 0 | 112.8 | D211 T215 | D211-N213 PolarHBondContact O-N 3.48Å; D211-N213 VanDerWaalsContact O-N 3.16Å; D211-N213 VanDerWaalsContact OD2-CB 3.27Å; D211-N213 WeakPolarHBondContact OD2-CB 3.37Å; D211-N213 PolarHBondContact OD2-N 2.86Å; D211-N213 VanDerWaalsContact OD2-N 3.09Å; D211-N213 PolarHBondContact OD2-ND2 3.44Å; N213-T215 HydrophobicContact CB-CG2 4.05Å; N213-T215 PolarHBondContact O-N 2.97Å |
| 214 | G | 72.2 | Confident | 89.4 | Confident | 47 Ų | 47 | 44 Ų | 44 | 49% | 0.485 | 25% | 0.252 | S | S | . | . | S | Bend | trans | 72.3 | 6.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | D211 V212 | D211-G214 WeakPolarHBondContact O-CA 3.3Å; D211-G214 PolarHBondContact O-N 3.42Å; V212-G214 PolarHBondContact O-N 3.17Å |
| 215 | T | 76.6 | Confident | 89.5 | Confident | 119 Ų | 119 | 43.7 Ų | 43.7 | 73% | 0.73 | 25% | 0.25 | S | S | * | . | trans | -79 | -26.9 | -171.1 | 51.1 | 0 | 0 | 0 | 0 | 114 | N213 | N213-T215 HydrophobicContact CB-CG2 4.05Å; N213-T215 PolarHBondContact O-N 2.97Å | ||
| 216 | E | 80 | Confident | 89.8 | Confident | 102 Ų | 102 | 42.4 Ų | 42.4 | 48% | 0.477 | 24% | 0.24 | S | C | . | . | trans | -127 | 129.1 | -179.6 | -169 | -175 | 146.5 | 0 | 0 | 109.2 | K210 D211 R218 | K210-E216 VanDerWaalsContact CA-O 3.23Å; K210-E216 WeakPolarHBondContact CA-O 3.44Å; D211-E216 PolarHBondContact N-O 3.03Å; D211-E216 VanDerWaalsContact N-O 3.15Å; E216-R218 IonicContact OE1-CZ 3.91Å; E216-R218 IonicContact OE1-NH1 2.96Å; E216-R218 PolarHBondContact OE1-NH1 3Å | ||
| 217 | T | 88.1 | Confident | 90 | Very high | 63 Ų | 63 | 42.4 Ų | 42.4 | 39% | 0.387 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 128.2 | 170 | -58.2 | 0 | 0 | 0 | 0 | 108.2 | V208 V209 K210 | V208-T217 HydrophobicContact CG1-CG2 3.62Å; V209-T217 WeakPolarHBondContact O-CA 3.43Å; K210-T217 WeakPolarHBondContact CE-OG1 3.07Å; K210-T217 HydrophobicContact CG-CG2 4.13Å; K210-T217 WeakPolarHBondContact CG-OG1 3.33Å |
| 218 | R | 91.7 | Very high | 90.1 | Very high | 81 Ų | 81 | 42.8 Ų | 42.8 | 31% | 0.306 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 159.7 | 176.6 | 67.9 | 179.4 | -179.5 | -135.6 | 1 | 112.4 | V209 E216 | V209-R218 HydrophobicContact CG2-CG 3.47Å; V209-R218 VanDerWaalsContact CG2-CG 3.47Å; V209-R218 PolarHBondContact N-O 3.16Å; V209-R218 PolarHBondContact O-N 3.18Å; E216-R218 IonicContact OE1-CZ 3.91Å; E216-R218 IonicContact OE1-NH1 2.96Å; E216-R218 PolarHBondContact OE1-NH1 3Å |
| 219 | V | 92.7 | Very high | 90.3 | Very high | 54 Ų | 54 | 42.9 Ų | 42.9 | 33% | 0.327 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 134.4 | 172.3 | 178.3 | 0 | 0 | 0 | 0 | 108.9 | V198 V207 V208 F517 | V198-V219 HydrophobicContact CG2-CG1 3.79Å; V207-V219 WeakPolarHBondContact O-CA 3.42Å; V208-V219 HydrophobicContact CG2-CG2 4.38Å; V219-F517 HydrophobicContact CG1-CE1 4.34Å |
| 220 | I | 93.2 | Very high | 90.4 | Very high | 16 Ų | 16 | 43.6 Ų | 43.6 | 8% | 0.082 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 100.2 | 166.9 | -57.1 | 179.4 | 0 | 0 | 0 | 106.7 | P30 V33 T56 I58 L189 G206 V207 V209 | P30-I220 HydrophobicContact CG-CG2 3.8Å; V33-I220 HydrophobicContact CG2-CG2 3.74Å; T56-I220 HydrophobicContact CG2-CD1 4.5Å; I58-I220 HydrophobicContact CD1-CD1 4.15Å; L189-I220 HydrophobicContact CD1-CD1 3.67Å; G206-I220 VanDerWaalsContact CA-O 3.25Å; G206-I220 WeakPolarHBondContact CA-O 3.12Å; V207-I220 HydrophobicContact CG2-CB 4.02Å; V207-I220 PolarHBondContact N-O 2.92Å; V207-I220 PolarHBondContact O-N 3.37Å; V209-I220 HydrophobicContact CG1-CD1 3.92Å; V209-I220 HydrophobicContact CG1-CG1 4.43Å; V209-I220 HydrophobicContact CG2-CD1 3.88Å; V209-I220 HydrophobicContact CG2-CG1 4.11Å |
| 221 | P | 93.6 | Very high | 90.7 | Very high | 46 Ų | 46 | 40.1 Ų | 40.1 | 30% | 0.299 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 145.7 | 174.3 | 27 | -30.1 | 0 | 0 | 0 | 110.1 | T29 A205 | T29-P221 HydrophobicContact CG2-CB 4.3Å; T29-P221 HydrophobicContact CG2-CG 3.97Å; T29-P221 WeakPolarHBondContact CG2-O 3.33Å; A205-P221 WeakPolarHBondContact O-CA 3.34Å |
| 222 | A | 93.7 | Very high | 91.1 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 5% | 0.05 | 22% | 0.224 | C | C | . | . | trans | -158 | 153 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | P30 V33 A205 A224 | P30-A222 HydrophobicContact CG-CB 4.34Å; P30-A222 VanDerWaalsContact O-CA 3.31Å; P30-A222 WeakPolarHBondContact O-CA 3.42Å; V33-A222 HydrophobicContact CB-CB 4.11Å; V33-A222 HydrophobicContact CG2-CB 3.58Å; A205-A222 CarbonylContact C-O 3.43Å; A205-A222 VanDerWaalsContact CA-O 3.31Å; A205-A222 WeakPolarHBondContact CA-O 3.22Å; A205-A222 PolarHBondContact O-N 3.42Å; A205-A222 VanDerWaalsContact O-N 3.09Å; A222-A224 VanDerWaalsContact C-N 3.31Å | ||
| 223 | D | 93.5 | Very high | 92.2 | Very high | 22 Ų | 22 | 34.5 Ų | 34.5 | 12% | 0.118 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -72.9 | -28.2 | 176.5 | -63 | -39 | 0 | 0 | 0 | 111.8 | D31 L508 | D31-D223 WeakPolarHBondContact O-CB 3.5Å; D31-D223 PolarHBondContact O-N 3Å; D223-L508 VanDerWaalsContact OD1-CB 3.28Å; D223-L508 WeakPolarHBondContact OD1-CB 3.12Å |
| 224 | A | 97.2 | Very high | 93.1 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.008 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 149.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | D31 V32 V33 A222 G464 Y466 A500 | D31-A224 PolarHBondContact O-N 3.28Å; V32-A224 WeakPolarHBondContact CA-O 3.42Å; V33-A224 PolarHBondContact N-O 3.46Å; A222-A224 VanDerWaalsContact C-N 3.31Å; A224-G464 CarbonylContact C-O 3.59Å; A224-G464 WeakPolarHBondContact CA-O 3.46Å; A224-Y466 HydrophobicContact CB-CD2 4.34Å; A224-Y466 HydrophobicContact CB-CE2 4.05Å; A224-A500 HydrophobicContact CB-CB 3.85Å |
| 225 | V | 98.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 130.1 | 172.7 | 179.9 | 0 | 0 | 0 | 0 | 109.7 | V33 V35 L197 V204 V207 L227 G464 L465 Y466 | V33-V225 HydrophobicContact CB-CG2 4.47Å; V33-V225 CarbonylContact O-C 3.59Å; V33-V225 WeakPolarHBondContact O-CA 3.26Å; V35-V225 HydrophobicContact CG2-CG1 4.05Å; L197-V225 HydrophobicContact CD2-CB 4.29Å; L197-V225 HydrophobicContact CD2-CG1 3.81Å; L197-V225 HydrophobicContact CD2-CG2 4.46Å; V204-V225 HydrophobicContact CG1-CB 3.98Å; V204-V225 HydrophobicContact CG1-CG2 3.64Å; V207-V225 HydrophobicContact CG1-CG1 3.83Å; V207-V225 HydrophobicContact CG1-CG2 3.95Å; V225-L227 HydrophobicContact CG1-CD2 4.21Å; V225-G464 PolarHBondContact N-O 3.13Å; V225-L465 HydrophobicContact CB-CD1 4.25Å; V225-L465 HydrophobicContact CG1-CD1 4.38Å; V225-Y466 PolarHBondContact O-N 2.84Å |
| 226 | V | 98.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 113.1 | 172.3 | -166.9 | 0 | 0 | 0 | 0 | 109.3 | V32 V33 V34 V35 A44 T228 Y466 A496 A500 | V32-V226 HydrophobicContact CG1-CG2 3.81Å; V33-V226 PolarHBondContact O-N 3.4Å; V34-V226 WeakPolarHBondContact CA-O 3Å; V34-V226 HydrophobicContact CG1-CB 4.49Å; V34-V226 HydrophobicContact CG2-CB 4.27Å; V34-V226 HydrophobicContact CG2-CG2 4.39Å; V35-V226 PolarHBondContact N-O 3.13Å; A44-V226 HydrophobicContact CB-CG1 4.12Å; V226-T228 HydrophobicContact CG1-CG2 4.05Å; V226-Y466 WeakPolarHBondContact CA-O 3.18Å; V226-A496 HydrophobicContact CG1-CB 3.7Å; V226-A500 HydrophobicContact CG2-CB 3.62Å |
| 227 | L | 98.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 123.6 | 174 | -63.6 | 177.6 | 0 | 0 | 0 | 110.2 | V35 L197 V225 M267 A268 I446 L465 Y466 A467 A468 V471 | V35-L227 HydrophobicContact CB-CD2 4.06Å; V35-L227 HydrophobicContact CG2-CD2 4.1Å; L197-L227 HydrophobicContact CD2-CD2 4.39Å; V225-L227 HydrophobicContact CG1-CD2 4.21Å; L227-M267 HydrophobicContact CD2-CE 3.92Å; L227-A268 HydrophobicContact CD1-CB 3.82Å; L227-I446 HydrophobicContact CD1-CD1 3.83Å; L227-L465 HydrophobicContact CD1-CD1 4.03Å; L227-L465 HydrophobicContact CG-CD1 4.11Å; L227-Y466 PolarHBondContact N-O 3.18Å; L227-A467 HydrophobicContact CB-CB 4.34Å; L227-A467 CarbonylContact O-C 3.6Å; L227-A467 VanDerWaalsContact O-CA 3.29Å; L227-A467 WeakPolarHBondContact O-CA 3.21Å; L227-A468 PolarHBondContact O-N 3.48Å; L227-V471 HydrophobicContact CB-CG1 4.42Å; L227-V471 VanDerWaalsContact O-CG1 3.27Å; L227-V471 WeakPolarHBondContact O-CG1 3.24Å |
| 228 | T | 98.9 | Very high | 95.6 | Very high | 7 Ų | 7 | 28.4 Ų | 28.4 | 4% | 0.043 | 15% | 0.15 | C | C | . | . | trans | -139.9 | 34.4 | 178.6 | 50.7 | 0 | 0 | 0 | 0 | 111.2 | V34 V35 G36 A40 G41 V226 G230 A468 | V34-T228 HydrophobicContact CG1-CG2 4.48Å; V34-T228 WeakPolarHBondContact CG1-OG1 3.15Å; V35-T228 CarbonylContact O-C 2.96Å; V35-T228 WeakPolarHBondContact O-CA 3.28Å; V35-T228 PolarHBondContact O-N 3.19Å; V35-T228 PolarHBondContact O-OG1 3.47Å; G36-T228 PolarHBondContact O-OG1 3.16Å; A40-T228 HydrophobicContact CB-CG2 3.92Å; G41-T228 WeakPolarHBondContact CA-OG1 3.32Å; V226-T228 HydrophobicContact CG1-CG2 4.05Å; T228-G230 PolarHBondContact O-N 3.24Å; T228-G230 VanDerWaalsContact O-N 3.16Å; T228-A468 HydrophobicContact CG2-CB 3.96Å | ||
| 229 | T | 98.7 | Very high | 95.6 | Very high | 16 Ų | 16 | 29.3 Ų | 29.3 | 10% | 0.098 | 16% | 0.161 | C | C | . | . | trans | -74.2 | -3.6 | -170.2 | 58.3 | 0 | 0 | 0 | 0 | 114.7 | V35 G264 V471 | V35-T229 HydrophobicContact CB-CG2 4.29Å; V35-T229 HydrophobicContact CG1-CG2 3.72Å; V35-T229 WeakPolarHBondContact O-CG2 3.42Å; V35-T229 PolarHBondContact O-N 3.25Å; T229-G264 VanDerWaalsContact OG1-CA 3.23Å; T229-G264 WeakPolarHBondContact OG1-CA 3.3Å; T229-G264 PolarHBondContact OG1-N 2.97Å; T229-G264 VanDerWaalsContact OG1-N 3.1Å; T229-V471 VanDerWaalsContact OG1-CG2 3.3Å; T229-V471 WeakPolarHBondContact OG1-CG2 3.47Å | ||
| 230 | G | 98.3 | Very high | 95.8 | Very high | 17 Ų | 17 | 26.8 Ų | 26.8 | 18% | 0.175 | 15% | 0.145 | C | C | . | . | trans | 71.3 | -173.2 | -167.7 | 0 | 0 | 0 | 0 | 0 | 113 | T228 | T228-G230 PolarHBondContact O-N 3.24Å; T228-G230 VanDerWaalsContact O-N 3.16Å | ||
| 231 | G | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -84.7 | -157.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | A260 T261 G262 | G231-A260 CarbonylContact O-C 3.57Å; G231-A260 WeakPolarHBondContact O-CA 3.46Å; G231-T261 PolarHBondContact O-N 3.34Å; G231-G262 WeakPolarHBondContact O-CA 3.41Å; G231-G262 PolarHBondContact O-N 2.74Å | ||
| 232 | Y | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -124.9 | 23.7 | -173.8 | 56.7 | -82.5 | 0 | 0 | 0 | 112.9 | N234 L241 I242 A260 I265 M278 R280 L281 S442 G444 | Y232-N234 VanDerWaalsContact C-N 3.26Å; Y232-N234 PolarHBondContact O-N 3.11Å; Y232-L241 HydrophobicContact CD1-CD1 4.13Å; Y232-L241 HydrophobicContact CD2-CB 3.54Å; Y232-L241 HydrophobicContact CD2-CD1 4.49Å; Y232-L241 HydrophobicContact CE2-CB 4.18Å; Y232-L241 HydrophobicContact CG-CB 3.79Å; Y232-L241 HydrophobicContact CG-CD1 3.91Å; Y232-L241 HydrophobicContact CG-CG 4.5Å; Y232-I242 HydrophobicContact CD2-CG1 4.07Å; Y232-I242 WeakPolarHBondContact O-CD1 3.25Å; Y232-I242 WeakPolarHBondContact O-CG1 3.34Å; Y232-A260 CarbonylContact C-O 3.46Å; Y232-A260 WeakPolarHBondContact CA-O 3.5Å; Y232-I265 HydrophobicContact CD1-CD1 3.49Å; Y232-I265 VanDerWaalsContact CD1-CD1 3.49Å; Y232-I265 HydrophobicContact CE1-CD1 3.93Å; Y232-M278 HydrophobicContact CD1-CE 4.12Å; Y232-M278 HydrophobicContact CE1-CE 3.56Å; Y232-M278 HydrophobicContact CE1-SD 4.38Å; Y232-M278 HydrophobicContact CE2-CE 4.36Å; Y232-M278 PolarHBondContact OH-O 3.28Å; Y232-R280 PolarHBondContact OH-O 2.97Å; Y232-L281 HydrophobicContact CD2-CD2 4.19Å; Y232-L281 HydrophobicContact CE2-CD1 3.93Å; Y232-L281 HydrophobicContact CE2-CD2 3.91Å; Y232-L281 HydrophobicContact CE2-CG 4.01Å; Y232-S442 VanDerWaalsContact CD1-OG 3.31Å; Y232-S442 WeakPolarHBondContact CD1-OG 3.47Å; Y232-S442 WeakPolarHBondContact CE1-OG 3.39Å; Y232-S442 PolarHBondContact N-OG 2.88Å; Y232-G444 WeakPolarHBondContact CE1-O 3.36Å |
| 233 | S | 97.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 4.9 | -172.7 | -70.7 | 0 | 0 | 0 | 0 | 115.1 | T254 N256 A260 S442 | S233-T254 WeakPolarHBondContact O-CB 3.31Å; S233-T254 PolarHBondContact O-OG1 3.23Å; S233-N256 VanDerWaalsContact CB-ND2 3.31Å; S233-N256 WeakPolarHBondContact CB-ND2 3.36Å; S233-A260 PolarHBondContact N-O 3.44Å; S233-S442 PolarHBondContact N-OG 2.67Å; S233-S442 PolarHBondContact OG-N 3.2Å; S233-S442 PolarHBondContact OG-OG 3.38Å |
| 234 | N | 97.1 | Very high | 96.5 | Very high | 11 Ų | 11 | 31.2 Ų | 31.2 | 6% | 0.059 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -145 | 50.6 | 174.9 | -165.3 | 1.4 | 0 | 0 | 0 | 111.7 | Y232 H236 T254 N256 G257 A260 | Y232-N234 VanDerWaalsContact C-N 3.26Å; Y232-N234 PolarHBondContact O-N 3.11Å; N234-H236 PolarHBondContact OD1-CD2 3.45Å; N234-H236 VanDerWaalsContact OD1-CD2 3.28Å; N234-H236 PolarHBondContact OD1-NE2 3.39Å; N234-T254 HydrophobicContact CB-CG2 3.9Å; N234-T254 VanDerWaalsContact CG-CG2 3.5Å; N234-N256 HydrophobicContact CB-CB 3.92Å; N234-N256 PolarHBondContact ND2-O 3.11Å; N234-G257 VanDerWaalsContact CB-O 3.27Å; N234-G257 WeakPolarHBondContact CB-O 3.44Å; N234-G257 VanDerWaalsContact ND2-C 3.27Å; N234-G257 PolarHBondContact ND2-O 3.34Å; N234-A260 CarbonylContact C-O 3.53Å; N234-A260 HydrophobicContact CB-CB 4.21Å; N234-A260 PolarHBondContact N-O 3.15Å |
| 235 | D | 95.3 | Very high | 96.6 | Very high | 11 Ų | 11 | 34.9 Ų | 34.9 | 6% | 0.059 | 18% | 0.175 | C | C | . | . | trans | -115.7 | 106.8 | 172.9 | -166 | -3.9 | 0 | 0 | 0 | 110.3 | T237 S240 K266 | D235-T237 PolarHBondContact OD1-N 3.32Å; D235-T237 PolarHBondContact OD1-OG1 3.45Å; D235-T237 VanDerWaalsContact OD1-OG1 3.12Å; D235-S240 VanDerWaalsContact O-CB 3.24Å; D235-S240 WeakPolarHBondContact O-CB 3.34Å; D235-S240 PolarHBondContact O-OG 3.21Å; D235-S240 WeakPolarHBondContact OD2-CB 3.24Å; D235-K266 IonicContact OD2-NZ 2.82Å; D235-K266 PolarHBondContact OD2-NZ 2.95Å | ||
| 236 | H | 89.2 | Confident | 96.4 | Very high | 77 Ų | 77 | 34.9 Ų | 34.9 | 36% | 0.356 | 18% | 0.176 | S | C | . | . | trans | -100.7 | 8.7 | -174.7 | -62.4 | -63.4 | 0 | 0 | 0 | 113.3 | N234 | N234-H236 PolarHBondContact OD1-CD2 3.45Å; N234-H236 VanDerWaalsContact OD1-CD2 3.28Å; N234-H236 PolarHBondContact OD1-NE2 3.39Å | ||
| 237 | T | 92.6 | Very high | 96.3 | Very high | 63 Ų | 63 | 37.9 Ų | 37.9 | 39% | 0.387 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -73.2 | 161.2 | 174.3 | 69.2 | 0 | 0 | 0 | 0 | 111 | D235 D239 S240 M243 | D235-T237 PolarHBondContact OD1-N 3.32Å; D235-T237 PolarHBondContact OD1-OG1 3.45Å; D235-T237 VanDerWaalsContact OD1-OG1 3.12Å; T237-D239 VanDerWaalsContact C-N 3.26Å; T237-D239 WeakPolarHBondContact CB-OD1 3.5Å; T237-D239 PolarHBondContact O-N 2.79Å; T237-D239 PolarHBondContact OG1-OD1 3.27Å; T237-S240 VanDerWaalsContact O-CB 3.31Å; T237-S240 WeakPolarHBondContact O-CB 3.38Å; T237-S240 PolarHBondContact O-N 2.96Å; T237-S240 PolarHBondContact O-OG 2.86Å; T237-S240 PolarHBondContact OG1-N 3.07Å; T237-M243 WeakPolarHBondContact O-CG 3.36Å |
| 238 | H | 92 | Very high | 96.1 | Very high | 169 Ų | 169 | 45.5 Ų | 45.5 | 78% | 0.782 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -26.1 | -178.5 | 64.7 | -85.3 | 0 | 0 | 0 | 112.8 | M243 | H238-M243 WeakPolarHBondContact O-CB 3.36Š|
| 239 | D | 92.2 | Very high | 95.9 | Very high | 99 Ų | 99 | 45.2 Ų | 45.2 | 53% | 0.529 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 12.9 | 178.4 | 69.3 | -37.2 | 0 | 0 | 0 | 112.9 | T237 | T237-D239 VanDerWaalsContact C-N 3.26Å; T237-D239 WeakPolarHBondContact CB-OD1 3.5Å; T237-D239 PolarHBondContact O-N 2.79Å; T237-D239 PolarHBondContact OG1-OD1 3.27Å |
| 240 | S | 96.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.007 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -68.4 | 159 | -178.5 | 82.6 | 0 | 0 | 0 | 0 | 113.3 | D235 T237 I242 M243 Q244 | D235-S240 VanDerWaalsContact O-CB 3.24Å; D235-S240 WeakPolarHBondContact O-CB 3.34Å; D235-S240 PolarHBondContact O-OG 3.21Å; D235-S240 WeakPolarHBondContact OD2-CB 3.24Å; T237-S240 VanDerWaalsContact O-CB 3.31Å; T237-S240 WeakPolarHBondContact O-CB 3.38Å; T237-S240 PolarHBondContact O-N 2.96Å; T237-S240 PolarHBondContact O-OG 2.86Å; T237-S240 PolarHBondContact OG1-N 3.07Å; S240-I242 PolarHBondContact O-N 2.77Å; S240-I242 PolarHBondContact OG-N 3.35Å; S240-M243 PolarHBondContact O-N 3.49Å; S240-M243 PolarHBondContact OG-N 2.96Å; S240-M243 VanDerWaalsContact OG-N 3.1Å; S240-Q244 PolarHBondContact O-N 3.1Å |
| 241 | L | 97.6 | Very high | 95.2 | Very high | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.1 | -27.4 | 174.1 | -63.1 | 176 | 0 | 0 | 0 | 112 | Y232 Q244 Y245 I265 K266 M278 | Y232-L241 HydrophobicContact CD1-CD1 4.13Å; Y232-L241 HydrophobicContact CD2-CB 3.54Å; Y232-L241 HydrophobicContact CD2-CD1 4.49Å; Y232-L241 HydrophobicContact CE2-CB 4.18Å; Y232-L241 HydrophobicContact CG-CB 3.79Å; Y232-L241 HydrophobicContact CG-CD1 3.91Å; Y232-L241 HydrophobicContact CG-CG 4.5Å; L241-Q244 PolarHBondContact O-N 3.35Å; L241-Y245 HydrophobicContact CB-CD2 4.39Å; L241-Y245 HydrophobicContact CD2-CD2 4.27Å; L241-Y245 HydrophobicContact CD2-CE2 3.84Å; L241-Y245 WeakPolarHBondContact O-CD2 3.49Å; L241-Y245 PolarHBondContact O-N 3.04Å; L241-I265 HydrophobicContact CD1-CB 4Å; L241-I265 HydrophobicContact CD1-CD1 4.4Å; L241-I265 HydrophobicContact CD1-CG2 3.69Å; L241-K266 HydrophobicContact CD1-CG 4.31Å; L241-K266 HydrophobicContact CD2-CG 4.45Å; L241-K266 HydrophobicContact CG-CG 4.44Å; L241-M278 HydrophobicContact CD1-CE 4.02Å |
| 242 | I | 97.4 | Very high | 95.1 | Very high | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.3 | -48.3 | 171.4 | -64.5 | 177.5 | 0 | 0 | 0 | 109.5 | Y232 S240 Q244 Y245 A246 S247 L249 L281 I439 | Y232-I242 HydrophobicContact CD2-CG1 4.07Å; Y232-I242 WeakPolarHBondContact O-CD1 3.25Å; Y232-I242 WeakPolarHBondContact O-CG1 3.34Å; S240-I242 PolarHBondContact O-N 2.77Å; S240-I242 PolarHBondContact OG-N 3.35Å; I242-Q244 VanDerWaalsContact C-N 3.29Å; I242-Q244 PolarHBondContact O-N 2.84Å; I242-Y245 PolarHBondContact O-N 3.39Å; I242-A246 CarbonylContact O-C 3.49Å; I242-A246 VanDerWaalsContact O-CA 3.31Å; I242-A246 WeakPolarHBondContact O-CA 3.48Å; I242-A246 PolarHBondContact O-N 2.88Å; I242-S247 PolarHBondContact O-N 2.96Å; I242-L249 HydrophobicContact CG2-CB 4.37Å; I242-L281 HydrophobicContact CD1-CD2 4.24Å; I242-L281 HydrophobicContact CG1-CD2 4.03Å; I242-I439 HydrophobicContact CD1-CD1 4.28Å |
| 243 | M | 97 | Very high | 95.1 | Very high | 70 Ų | 70 | 56.8 Ų | 56.8 | 35% | 0.345 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.2 | -36.4 | 178.2 | -70.2 | -55.5 | -60.1 | 0 | 0 | 112.3 | T237 H238 S240 K250 | T237-M243 WeakPolarHBondContact O-CG 3.36Å; H238-M243 WeakPolarHBondContact O-CB 3.36Å; S240-M243 PolarHBondContact O-N 3.49Å; S240-M243 PolarHBondContact OG-N 2.96Å; S240-M243 VanDerWaalsContact OG-N 3.1Å; M243-K250 HydrophobicContact CE-CD 4.19Å; M243-K250 HydrophobicContact SD-CB 3.59Å; M243-K250 VanDerWaalsContact SD-CB 3.59Å; M243-K250 HydrophobicContact SD-CD 4.02Å; M243-K250 HydrophobicContact SD-CG 4.44Å |
| 244 | Q | 97.4 | Very high | 95.1 | Very high | 106 Ų | 106 | 56.8 Ų | 56.8 | 50% | 0.495 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -71.2 | -40.8 | 179.9 | -173.6 | 171.3 | 23.3 | 0 | 0 | 113.6 | S240 L241 I242 | S240-Q244 PolarHBondContact O-N 3.1Å; L241-Q244 PolarHBondContact O-N 3.35Å; I242-Q244 VanDerWaalsContact C-N 3.29Å; I242-Q244 PolarHBondContact O-N 2.84Å |
| 245 | Y | 97.6 | Very high | 95.2 | Very high | 78 Ų | 78 | 57.1 Ų | 57.1 | 31% | 0.306 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -117.9 | -19.5 | -168.2 | -64.2 | -79.4 | 0 | 0 | 0 | 114.9 | L241 I242 M278 N279 | L241-Y245 HydrophobicContact CB-CD2 4.39Å; L241-Y245 HydrophobicContact CD2-CD2 4.27Å; L241-Y245 HydrophobicContact CD2-CE2 3.84Å; L241-Y245 WeakPolarHBondContact O-CD2 3.49Å; L241-Y245 PolarHBondContact O-N 3.04Å; I242-Y245 PolarHBondContact O-N 3.39Å; Y245-M278 WeakPolarHBondContact CB-O 3.31Å; Y245-M278 HydrophobicContact CD1-CB 3.54Å; Y245-M278 HydrophobicContact CD2-CB 3.83Å; Y245-M278 HydrophobicContact CD2-CE 4.26Å; Y245-M278 HydrophobicContact CE1-CB 3.85Å; Y245-M278 HydrophobicContact CE1-CG 4.35Å; Y245-M278 HydrophobicContact CE2-CB 4.13Å; Y245-M278 HydrophobicContact CE2-CE 4.29Å; Y245-M278 HydrophobicContact CE2-CG 4.42Å; Y245-M278 HydrophobicContact CG-CB 3.53Å; Y245-N279 WeakPolarHBondContact O-CA 3.11Å; Y245-N279 WeakPolarHBondContact O-CB 3.41Å |
| 246 | A | 96.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | trans | -147.7 | 45 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112 | I242 W248 L249 L281 | I242-A246 CarbonylContact O-C 3.49Å; I242-A246 VanDerWaalsContact O-CA 3.31Å; I242-A246 WeakPolarHBondContact O-CA 3.48Å; I242-A246 PolarHBondContact O-N 2.88Å; A246-W248 PolarHBondContact O-N 3.21Å; A246-L249 HydrophobicContact CB-CD1 4.17Å; A246-L249 WeakPolarHBondContact O-CB 3.36Å; A246-L249 PolarHBondContact O-N 2.81Å; A246-L281 HydrophobicContact CB-CD1 3.41Å; A246-L281 VanDerWaalsContact CB-CD1 3.41Å | ||
| 247 | S | 95.9 | Very high | 95.6 | Very high | 62 Ų | 62 | 53.1 Ų | 53.1 | 43% | 0.434 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -57.5 | -23.4 | -173.9 | 58.4 | 0 | 0 | 0 | 0 | 114.3 | I242 L249 K250 | I242-S247 PolarHBondContact O-N 2.96Å; S247-L249 PolarHBondContact O-N 3.16Å; S247-K250 VanDerWaalsContact O-CB 3.26Å; S247-K250 WeakPolarHBondContact O-CB 3.06Å; S247-K250 VanDerWaalsContact O-CG 3.22Å; S247-K250 WeakPolarHBondContact O-CG 3.39Å; S247-K250 PolarHBondContact O-N 3.42Å; S247-K250 VanDerWaalsContact O-N 3.08Å |
| 248 | W | 94.4 | Very high | 95.8 | Very high | 161 Ų | 161 | 54.6 Ų | 54.6 | 61% | 0.61 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -62.2 | -18.4 | 172.7 | 70.1 | -89.1 | 0 | 0 | 0 | 113.5 | A246 F252 L283 | A246-W248 PolarHBondContact O-N 3.21Å; W248-F252 HydrophobicContact CZ3-CE2 4.45Å; W248-L283 HydrophobicContact CH2-CD1 4.33Å; W248-L283 HydrophobicContact CZ3-CD1 4.41Å |
| 249 | L | 94.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -91.2 | -3.1 | 175.3 | -72.1 | 175.9 | 0 | 0 | 0 | 114.1 | I242 A246 S247 D251 F252 L281 L283 I439 | I242-L249 HydrophobicContact CG2-CB 4.37Å; A246-L249 HydrophobicContact CB-CD1 4.17Å; A246-L249 WeakPolarHBondContact O-CB 3.36Å; A246-L249 PolarHBondContact O-N 2.81Å; S247-L249 PolarHBondContact O-N 3.16Å; L249-D251 PolarHBondContact O-N 2.62Å; L249-F252 HydrophobicContact CD2-CB 4.48Å; L249-F252 HydrophobicContact CD2-CD1 4.48Å; L249-F252 HydrophobicContact CD2-CD2 3.76Å; L249-F252 HydrophobicContact CD2-CE2 4.03Å; L249-F252 HydrophobicContact CD2-CG 3.99Å; L249-F252 HydrophobicContact CD2-CZ 4.5Å; L249-F252 WeakPolarHBondContact O-CB 3.43Å; L249-F252 PolarHBondContact O-N 2.76Å; L249-L281 HydrophobicContact CD1-CB 3.77Å; L249-L281 HydrophobicContact CD1-CD1 3.74Å; L249-L281 HydrophobicContact CD1-CG 4.29Å; L249-L283 HydrophobicContact CD2-CD1 4Å; L249-L283 HydrophobicContact CD2-CD2 3.85Å; L249-L283 HydrophobicContact CD2-CG 4.14Å; L249-I439 HydrophobicContact CB-CD1 4Å |
| 250 | K | 91.8 | Very high | 96.1 | Very high | 98 Ų | 98 | 43.5 Ų | 43.5 | 43% | 0.426 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -30.2 | -169.5 | 72 | -175.9 | -178.9 | 63.8 | 0 | 115 | M243 S247 | M243-K250 HydrophobicContact CE-CD 4.19Å; M243-K250 HydrophobicContact SD-CB 3.59Å; M243-K250 VanDerWaalsContact SD-CB 3.59Å; M243-K250 HydrophobicContact SD-CD 4.02Å; M243-K250 HydrophobicContact SD-CG 4.44Å; S247-K250 VanDerWaalsContact O-CB 3.26Å; S247-K250 WeakPolarHBondContact O-CB 3.06Å; S247-K250 VanDerWaalsContact O-CG 3.22Å; S247-K250 WeakPolarHBondContact O-CG 3.39Å; S247-K250 PolarHBondContact O-N 3.42Å; S247-K250 VanDerWaalsContact O-N 3.08Å |
| 251 | D | 91.5 | Very high | 96.1 | Very high | 111 Ų | 111 | 45.2 Ų | 45.2 | 59% | 0.594 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -4.2 | -177 | -59.8 | -45 | 0 | 0 | 0 | 112.9 | L249 | L249-D251 PolarHBondContact O-N 2.62Š|
| 252 | F | 95.7 | Very high | 96.2 | Very high | 59 Ų | 59 | 45.1 Ų | 45.1 | 26% | 0.259 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -72.9 | 139.4 | 177.6 | -81.2 | -106.9 | 0 | 0 | 0 | 111 | W248 L249 L283 P437 I439 | W248-F252 HydrophobicContact CZ3-CE2 4.45Å; L249-F252 HydrophobicContact CD2-CB 4.48Å; L249-F252 HydrophobicContact CD2-CD1 4.48Å; L249-F252 HydrophobicContact CD2-CD2 3.76Å; L249-F252 HydrophobicContact CD2-CE2 4.03Å; L249-F252 HydrophobicContact CD2-CG 3.99Å; L249-F252 HydrophobicContact CD2-CZ 4.5Å; L249-F252 WeakPolarHBondContact O-CB 3.43Å; L249-F252 PolarHBondContact O-N 2.76Å; F252-L283 HydrophobicContact CD1-CD1 4.11Å; F252-L283 HydrophobicContact CD1-CD2 3.74Å; F252-L283 HydrophobicContact CE1-CD1 3.72Å; F252-L283 HydrophobicContact CE1-CD2 4.22Å; F252-L283 HydrophobicContact CG-CD2 4.29Å; F252-L283 HydrophobicContact CZ-CD1 4.22Å; F252-P437 HydrophobicContact CE1-CB 4.26Å; F252-I439 HydrophobicContact CB-CD1 4.02Å; F252-I439 HydrophobicContact CB-CG1 3.82Å |
| 253 | P | 97.5 | Very high | 96.1 | Very high | 9 Ų | 9 | 46 Ų | 46 | 6% | 0.058 | 23% | 0.229 | C | C | . | . | trans | -66.9 | 158.6 | 169 | 26.6 | -31 | 0 | 0 | 0 | 111.1 | K297 K299 T436 V438 I439 | P253-K297 CarbonylContact C-O 3.25Å; P253-K297 WeakPolarHBondContact CA-O 3.28Å; P253-K297 WeakPolarHBondContact CB-O 3.49Å; P253-K299 HydrophobicContact CB-CD 3.73Å; P253-K299 VanDerWaalsContact CB-CE 3.49Å; P253-K299 HydrophobicContact CB-CG 3.94Å; P253-K299 HydrophobicContact CG-CD 3.83Å; P253-K299 VanDerWaalsContact CG-CE 3.46Å; P253-T436 HydrophobicContact CG-CG2 4.26Å; P253-V438 HydrophobicContact CB-CG1 4.07Å; P253-V438 HydrophobicContact CG-CG1 3.79Å; P253-V438 CarbonylContact O-C 3.58Å; P253-V438 WeakPolarHBondContact O-CA 3.32Å; P253-I439 PolarHBondContact O-N 2.95Å | ||
| 254 | T | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | B | Isolated β-bridge | trans | -124.9 | 158.8 | -179.5 | -173.2 | 0 | 0 | 0 | 0 | 111.8 | S233 N234 N256 K297 T298 K299 I439 | S233-T254 WeakPolarHBondContact O-CB 3.31Å; S233-T254 PolarHBondContact O-OG1 3.23Å; N234-T254 HydrophobicContact CB-CG2 3.9Å; N234-T254 VanDerWaalsContact CG-CG2 3.5Å; T254-N256 WeakPolarHBondContact OG1-CB 3.37Å; T254-N256 PolarHBondContact OG1-N 3.36Å; T254-N256 PolarHBondContact OG1-ND2 3.44Å; T254-K297 PolarHBondContact N-O 3.36Å; T254-T298 CarbonylContact O-C 3.58Å; T254-T298 VanDerWaalsContact O-CA 3.24Å; T254-T298 WeakPolarHBondContact O-CA 3.35Å; T254-K299 PolarHBondContact O-N 2.98Å; T254-I439 CarbonylContact C-O 3.59Å; T254-I439 VanDerWaalsContact CA-O 3.26Å; T254-I439 WeakPolarHBondContact CA-O 3.11Å; T254-I439 PolarHBondContact OG1-O 2.8Å; T254-I439 VanDerWaalsContact OG1-O 3.08Å |
| 255 | T | 97.8 | Very high | 96.3 | Very high | 17 Ų | 17 | 37.6 Ų | 37.6 | 10% | 0.104 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -98.7 | -2.7 | 168.9 | 58.5 | 0 | 0 | 0 | 0 | 113.4 | K299 L301 V438 I439 H440 | T255-K299 WeakPolarHBondContact CA-O 3.29Å; T255-L301 HydrophobicContact CG2-CB 3.98Å; T255-L301 HydrophobicContact CG2-CD1 3.99Å; T255-V438 HydrophobicContact CG2-CB 4.05Å; T255-V438 HydrophobicContact CG2-CG2 3.55Å; T255-I439 PolarHBondContact N-O 3.18Å; T255-H440 PolarHBondContact OG1-ND1 2.76Å |
| 256 | N | 98 | Very high | 96.3 | Very high | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -82.9 | 152.4 | -171.6 | -71.3 | -85.9 | 0 | 0 | 0 | 111.4 | N67 S233 N234 T254 A260 T298 I439 H440 | N67-N256 PolarHBondContact ND2-OD1 2.95Å; S233-N256 VanDerWaalsContact CB-ND2 3.31Å; S233-N256 WeakPolarHBondContact CB-ND2 3.36Å; N234-N256 HydrophobicContact CB-CB 3.92Å; N234-N256 PolarHBondContact ND2-O 3.11Å; T254-N256 WeakPolarHBondContact OG1-CB 3.37Å; T254-N256 PolarHBondContact OG1-N 3.36Å; T254-N256 PolarHBondContact OG1-ND2 3.44Å; N256-A260 HydrophobicContact CB-CB 3.94Å; N256-T298 WeakPolarHBondContact O-CG2 3.45Å; N256-I439 PolarHBondContact ND2-O 3.28Å; N256-H440 PolarHBondContact ND2-O 2.85Å |
| 257 | G | 96.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | trans | -69.6 | 159.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112 | N67 N234 Y259 A260 | N67-G257 PolarHBondContact OD1-N 3.33Å; N234-G257 VanDerWaalsContact CB-O 3.27Å; N234-G257 WeakPolarHBondContact CB-O 3.44Å; N234-G257 VanDerWaalsContact ND2-C 3.27Å; N234-G257 PolarHBondContact ND2-O 3.34Å; G257-Y259 PolarHBondContact O-N 3.39Å; G257-Y259 VanDerWaalsContact O-N 3.13Å; G257-A260 WeakPolarHBondContact O-CB 3.39Å; G257-A260 PolarHBondContact O-N 3.01Å; G257-A260 VanDerWaalsContact O-N 3.08Å | ||
| 258 | P | 95.3 | Very high | 96.5 | Very high | 93 Ų | 93 | 34.6 Ų | 34.6 | 60% | 0.604 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63 | -19.3 | -177.4 | 27.3 | -35.6 | 0 | 0 | 0 | 113.2 | A260 T261 | P258-A260 VanDerWaalsContact C-N 3.27Å; P258-A260 PolarHBondContact O-N 3.29Å; P258-T261 WeakPolarHBondContact O-CG2 3.3Å |
| 259 | Y | 95 | Very high | 96.7 | Very high | 34 Ų | 34 | 32 Ų | 32 | 13% | 0.133 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -10.6 | 174.8 | 43.1 | -104.2 | 0 | 0 | 0 | 114.8 | E61 G66 N67 K70 G257 T261 | E61-Y259 VanDerWaalsContact CD-CD1 3.48Å; E61-Y259 HydrophobicContact CG-CD1 3.53Å; E61-Y259 HydrophobicContact CG-CE1 4.13Å; E61-Y259 HydrophobicContact CG-CG 4.13Å; G66-Y259 WeakPolarHBondContact CA-OH 3.45Å; G66-Y259 PolarHBondContact O-OH 2.92Å; N67-Y259 PolarHBondContact N-OH 3.21Å; K70-Y259 VanDerWaalsContact CE-OH 3.27Å; K70-Y259 WeakPolarHBondContact CE-OH 3.27Å; K70-Y259 PolarHBondContact NZ-OH 2.91Å; K70-Y259 VanDerWaalsContact NZ-OH 3.08Å; G257-Y259 PolarHBondContact O-N 3.39Å; G257-Y259 VanDerWaalsContact O-N 3.13Å; Y259-T261 PolarHBondContact O-N 2.96Å |
| 260 | A | 97.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.008 | 19% | 0.19 | C | C | . | . | trans | -79 | 64.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | G231 Y232 S233 N234 N256 G257 P258 | G231-A260 CarbonylContact O-C 3.57Å; G231-A260 WeakPolarHBondContact O-CA 3.46Å; Y232-A260 CarbonylContact C-O 3.46Å; Y232-A260 WeakPolarHBondContact CA-O 3.5Å; S233-A260 PolarHBondContact N-O 3.44Å; N234-A260 CarbonylContact C-O 3.53Å; N234-A260 HydrophobicContact CB-CB 4.21Å; N234-A260 PolarHBondContact N-O 3.15Å; N256-A260 HydrophobicContact CB-CB 3.94Å; G257-A260 WeakPolarHBondContact O-CB 3.39Å; G257-A260 PolarHBondContact O-N 3.01Å; G257-A260 VanDerWaalsContact O-N 3.08Å; P258-A260 VanDerWaalsContact C-N 3.27Å; P258-A260 PolarHBondContact O-N 3.29Å | ||
| 261 | T | 96.7 | Very high | 96.9 | Very high | 37 Ų | 37 | 36.6 Ų | 36.6 | 23% | 0.227 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -103.5 | -0.2 | -170 | 58.8 | 0 | 0 | 0 | 0 | 114.8 | G231 P258 Y259 S263 K266 | G231-T261 PolarHBondContact O-N 3.34Å; P258-T261 WeakPolarHBondContact O-CG2 3.3Å; Y259-T261 PolarHBondContact O-N 2.96Å; T261-S263 VanDerWaalsContact C-N 3.33Å; T261-S263 PolarHBondContact O-N 3.5Å; T261-K266 WeakPolarHBondContact O-CE 3.22Å; T261-K266 PolarHBondContact O-NZ 3.31Å |
| 262 | G | 98 | Very high | 97.2 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | trans | 70.8 | 24.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | G231 G264 I265 K266 | G231-G262 WeakPolarHBondContact O-CA 3.41Å; G231-G262 PolarHBondContact O-N 2.74Å; G262-G264 VanDerWaalsContact C-N 3.34Å; G262-G264 PolarHBondContact O-N 3.47Å; G262-I265 WeakPolarHBondContact O-CB 3.39Å; G262-I265 PolarHBondContact O-N 2.88Å; G262-I265 VanDerWaalsContact O-N 3.08Å; G262-K266 WeakPolarHBondContact O-CG 3.5Å; G262-K266 PolarHBondContact O-N 3.37Å | ||
| 263 | S | 97 | Very high | 97.3 | Very high | 23 Ų | 23 | 29.8 Ų | 29.8 | 16% | 0.161 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -53.9 | -46.1 | -178.9 | 57.8 | 0 | 0 | 0 | 0 | 112.9 | T261 I265 K266 M267 | T261-S263 VanDerWaalsContact C-N 3.33Å; T261-S263 PolarHBondContact O-N 3.5Å; S263-I265 PolarHBondContact O-N 3.37Å; S263-K266 PolarHBondContact O-N 3.45Å; S263-M267 WeakPolarHBondContact O-CG 3.15Å; S263-M267 PolarHBondContact O-N 3.46Å |
| 264 | G | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.5 | -38.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T229 G262 M267 A268 | T229-G264 VanDerWaalsContact OG1-CA 3.23Å; T229-G264 WeakPolarHBondContact OG1-CA 3.3Å; T229-G264 PolarHBondContact OG1-N 2.97Å; T229-G264 VanDerWaalsContact OG1-N 3.1Å; G262-G264 VanDerWaalsContact C-N 3.34Å; G262-G264 PolarHBondContact O-N 3.47Å; G264-M267 PolarHBondContact O-N 2.91Å; G264-A268 VanDerWaalsContact O-CB 3.28Å; G264-A268 WeakPolarHBondContact O-CB 3.46Å; G264-A268 PolarHBondContact O-N 2.84Å |
| 265 | I | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.1 | -45.5 | 175.1 | -67.9 | 162 | 0 | 0 | 0 | 110.5 | Y232 L241 G262 S263 A268 R269 L275 M278 I446 V471 | Y232-I265 HydrophobicContact CD1-CD1 3.49Å; Y232-I265 VanDerWaalsContact CD1-CD1 3.49Å; Y232-I265 HydrophobicContact CE1-CD1 3.93Å; L241-I265 HydrophobicContact CD1-CB 4Å; L241-I265 HydrophobicContact CD1-CD1 4.4Å; L241-I265 HydrophobicContact CD1-CG2 3.69Å; G262-I265 WeakPolarHBondContact O-CB 3.39Å; G262-I265 PolarHBondContact O-N 2.88Å; G262-I265 VanDerWaalsContact O-N 3.08Å; S263-I265 PolarHBondContact O-N 3.37Å; I265-A268 PolarHBondContact O-N 3.28Å; I265-R269 VanDerWaalsContact O-CB 3.3Å; I265-R269 WeakPolarHBondContact O-CB 3.18Å; I265-R269 PolarHBondContact O-N 3.17Å; I265-L275 HydrophobicContact CG2-CD1 3.76Å; I265-L275 HydrophobicContact CG2-CD2 3.84Å; I265-L275 HydrophobicContact CG2-CG 4.47Å; I265-M278 HydrophobicContact CD1-CE 4.44Å; I265-M278 HydrophobicContact CG2-CE 3.94Å; I265-M278 HydrophobicContact CG2-SD 4.45Å; I265-I446 HydrophobicContact CG1-CG1 4.23Å; I265-V471 HydrophobicContact CG1-CG2 3.83Å |
| 266 | K | 98 | Very high | 97.4 | Very high | 65 Ų | 65 | 37.9 Ų | 37.9 | 28% | 0.283 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.8 | -45.9 | 177.7 | -67 | 173.5 | -171.6 | 178.6 | 0 | 110.8 | D235 L241 T261 G262 S263 Y270 | D235-K266 IonicContact OD2-NZ 2.82Å; D235-K266 PolarHBondContact OD2-NZ 2.95Å; L241-K266 HydrophobicContact CD1-CG 4.31Å; L241-K266 HydrophobicContact CD2-CG 4.45Å; L241-K266 HydrophobicContact CG-CG 4.44Å; T261-K266 WeakPolarHBondContact O-CE 3.22Å; T261-K266 PolarHBondContact O-NZ 3.31Å; G262-K266 WeakPolarHBondContact O-CG 3.5Å; G262-K266 PolarHBondContact O-N 3.37Å; S263-K266 PolarHBondContact O-N 3.45Å; K266-Y270 PolarHBondContact O-N 3.14Å |
| 267 | M | 98.3 | Very high | 97.4 | Very high | 13 Ų | 13 | 38.9 Ų | 38.9 | 6% | 0.064 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.4 | -46.9 | 175.9 | -73.4 | -168.3 | -69.9 | 0 | 0 | 112.7 | V35 A194 S196 L197 L227 S263 G264 Y270 | V35-M267 HydrophobicContact CG1-CE 4.33Å; A194-M267 HydrophobicContact CB-CE 4.16Å; A194-M267 HydrophobicContact CB-SD 4.3Å; S196-M267 PolarHBondContact N-SD 3.23Å; S196-M267 VanDerWaalsContact N-SD 3.4Å; L197-M267 HydrophobicContact CD1-CB 4.36Å; L197-M267 HydrophobicContact CG-CB 4.24Å; L227-M267 HydrophobicContact CD2-CE 3.92Å; S263-M267 WeakPolarHBondContact O-CG 3.15Å; S263-M267 PolarHBondContact O-N 3.46Å; G264-M267 PolarHBondContact O-N 2.91Å; M267-Y270 WeakPolarHBondContact O-CB 3.26Å; M267-Y270 PolarHBondContact O-N 3.12Å |
| 268 | A | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.3 | -40.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L227 G264 I265 Y270 V271 G272 A273 I446 | L227-A268 HydrophobicContact CD1-CB 3.82Å; G264-A268 VanDerWaalsContact O-CB 3.28Å; G264-A268 WeakPolarHBondContact O-CB 3.46Å; G264-A268 PolarHBondContact O-N 2.84Å; I265-A268 PolarHBondContact O-N 3.28Å; A268-Y270 PolarHBondContact O-N 3.05Å; A268-V271 VanDerWaalsContact O-CG2 3.22Å; A268-V271 WeakPolarHBondContact O-CG2 3.38Å; A268-V271 PolarHBondContact O-N 3.25Å; A268-V271 VanDerWaalsContact O-N 3.17Å; A268-G272 PolarHBondContact O-N 3.35Å; A268-A273 VanDerWaalsContact C-CB 3.49Å; A268-A273 HydrophobicContact CB-CB 3.69Å; A268-A273 WeakPolarHBondContact O-CB 3.32Å; A268-A273 PolarHBondContact O-N 3.1Å; A268-I446 HydrophobicContact CB-CD1 3.38Å; A268-I446 HydrophobicContact CB-CG1 3.75Å |
| 269 | R | 97.5 | Very high | 97.6 | Very high | 105 Ų | 105 | 38.6 Ų | 38.6 | 40% | 0.396 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -56.7 | -39.6 | 175.8 | -172.7 | 176.7 | 82.1 | -177.2 | 2 | 111.4 | I265 V271 G272 L275 | I265-R269 VanDerWaalsContact O-CB 3.3Å; I265-R269 WeakPolarHBondContact O-CB 3.18Å; I265-R269 PolarHBondContact O-N 3.17Å; R269-V271 VanDerWaalsContact C-N 3.28Å; R269-V271 PolarHBondContact O-N 2.87Å; R269-G272 PolarHBondContact O-N 3.28Å; R269-L275 HydrophobicContact CB-CD1 4.26Å; R269-L275 HydrophobicContact CG-CD1 4.21Å |
| 270 | Y | 95.8 | Very high | 97.6 | Very high | 163 Ų | 163 | 40.4 Ų | 40.4 | 64% | 0.639 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -62.5 | -34 | -179.4 | -169.1 | -95.2 | 0 | 0 | 0 | 113 | K266 M267 A268 G272 V520 | K266-Y270 PolarHBondContact O-N 3.14Å; M267-Y270 WeakPolarHBondContact O-CB 3.26Å; M267-Y270 PolarHBondContact O-N 3.12Å; A268-Y270 PolarHBondContact O-N 3.05Å; Y270-G272 VanDerWaalsContact C-N 3.27Å; Y270-G272 PolarHBondContact O-N 2.79Å; Y270-V520 VanDerWaalsContact OH-CB 3.24Å; Y270-V520 WeakPolarHBondContact OH-CB 3.36Å; Y270-V520 VanDerWaalsContact OH-CG2 3.31Å; Y270-V520 WeakPolarHBondContact OH-CG2 3.47Å |
| 271 | V | 96 | Very high | 97.7 | Very high | 32 Ų | 32 | 41 Ų | 41 | 19% | 0.194 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 17.2 | 176 | -57.7 | 0 | 0 | 0 | 0 | 113.2 | L197 T199 A268 R269 I462 L465 | L197-V271 HydrophobicContact CB-CG1 3.97Å; L197-V271 HydrophobicContact CD1-CB 4.5Å; L197-V271 HydrophobicContact CD1-CG1 4.06Å; L197-V271 HydrophobicContact CD1-CG2 3.58Å; T199-V271 HydrophobicContact CG2-CB 4.33Å; T199-V271 HydrophobicContact CG2-CG1 3.61Å; A268-V271 VanDerWaalsContact O-CG2 3.22Å; A268-V271 WeakPolarHBondContact O-CG2 3.38Å; A268-V271 PolarHBondContact O-N 3.25Å; A268-V271 VanDerWaalsContact O-N 3.17Å; R269-V271 VanDerWaalsContact C-N 3.28Å; R269-V271 PolarHBondContact O-N 2.87Å; V271-I462 HydrophobicContact CG2-CD1 4.3Å; V271-L465 HydrophobicContact CG2-CD2 3.9Å |
| 272 | G | 96.9 | Very high | 97.7 | Very high | 20 Ų | 20 | 39.3 Ų | 39.3 | 21% | 0.206 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | 13.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | A268 R269 Y270 K274 N456 F457 | A268-G272 PolarHBondContact O-N 3.35Å; R269-G272 PolarHBondContact O-N 3.28Å; Y270-G272 VanDerWaalsContact C-N 3.27Å; Y270-G272 PolarHBondContact O-N 2.79Å; G272-K274 PolarHBondContact O-N 2.86Å; G272-N456 VanDerWaalsContact O-CA 3.22Å; G272-N456 WeakPolarHBondContact O-CA 3.44Å; G272-N456 VanDerWaalsContact O-CB 3.28Å; G272-N456 WeakPolarHBondContact O-CB 3.3Å; G272-F457 WeakPolarHBondContact O-CD1 3.42Å; G272-F457 PolarHBondContact O-N 3.18Å |
| 273 | A | 98.6 | Very high | 97.7 | Very high | 8 Ų | 8 | 40.2 Ų | 40.2 | 7% | 0.066 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -60.7 | 136.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | A268 I446 V454 I462 | A268-A273 VanDerWaalsContact C-CB 3.49Å; A268-A273 HydrophobicContact CB-CB 3.69Å; A268-A273 WeakPolarHBondContact O-CB 3.32Å; A268-A273 PolarHBondContact O-N 3.1Å; A273-I446 HydrophobicContact CB-CG2 4.27Å; A273-V454 HydrophobicContact CB-CG1 3.51Å; A273-I462 HydrophobicContact CB-CD1 4.09Å |
| 274 | K | 98.6 | Very high | 97.8 | Very high | 100 Ų | 100 | 39.1 Ų | 39.1 | 44% | 0.435 | 18% | 0.182 | S | C | . | . | trans | -73.5 | 135.9 | 173.5 | -173.8 | 175.7 | 179.9 | 175.3 | 0 | 109.4 | G272 V447 I455 | G272-K274 PolarHBondContact O-N 2.86Å; K274-V447 HydrophobicContact CB-CB 4.19Å; K274-V447 HydrophobicContact CB-CG2 4.13Å; K274-V447 HydrophobicContact CD-CG2 4.22Å; K274-V447 HydrophobicContact CG-CB 4.45Å; K274-V447 HydrophobicContact CG-CG2 3.91Å; K274-V447 WeakPolarHBondContact O-CG2 3.46Å; K274-V447 PolarHBondContact O-N 3.33Å; K274-I455 WeakPolarHBondContact CB-O 3.47Å; K274-I455 PolarHBondContact N-O 3.43Å | ||
| 275 | L | 98.6 | Very high | 97.8 | Very high | 33 Ų | 33 | 39.1 Ų | 39.1 | 17% | 0.173 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 153.1 | 172.4 | -53.9 | -175.4 | 0 | 0 | 0 | 110.5 | I265 R269 M278 G445 I446 | I265-L275 HydrophobicContact CG2-CD1 3.76Å; I265-L275 HydrophobicContact CG2-CD2 3.84Å; I265-L275 HydrophobicContact CG2-CG 4.47Å; R269-L275 HydrophobicContact CB-CD1 4.26Å; R269-L275 HydrophobicContact CG-CD1 4.21Å; L275-M278 HydrophobicContact CB-CG 3.71Å; L275-M278 HydrophobicContact CB-SD 3.9Å; L275-M278 HydrophobicContact CD1-CE 4.37Å; L275-M278 HydrophobicContact CD1-CG 4.14Å; L275-M278 HydrophobicContact CD1-SD 4.04Å; L275-M278 HydrophobicContact CG-SD 4.42Å; L275-G445 VanDerWaalsContact CA-O 3.31Å; L275-G445 WeakPolarHBondContact CA-O 3.44Å; L275-I446 HydrophobicContact CD2-CG1 4.2Å |
| 276 | I | 98.3 | Very high | 97.7 | Very high | 62 Ų | 62 | 39.1 Ų | 39.1 | 32% | 0.318 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 152.5 | 177.6 | -166.4 | 160.4 | 0 | 0 | 0 | 110.3 | M278 G444 G445 V447 | I276-M278 PolarHBondContact O-N 3.35Å; I276-G444 CarbonylContact O-C 3.57Å; I276-G444 WeakPolarHBondContact O-CA 3.45Å; I276-G445 PolarHBondContact N-O 3.21Å; I276-G445 PolarHBondContact O-N 3.45Å; I276-V447 HydrophobicContact CB-CG2 3.68Å; I276-V447 HydrophobicContact CG2-CG2 3.68Å |
| 277 | D | 97.7 | Very high | 97.8 | Very high | 25 Ų | 25 | 36 Ų | 36 | 13% | 0.134 | 17% | 0.169 | C | C | . | . | trans | 52.4 | 27.3 | 174.5 | -54.7 | -33.2 | 0 | 0 | 0 | 115.1 | M106 N279 R280 G444 | M106-D277 WeakPolarHBondContact CE-OD1 3.34Å; D277-N279 PolarHBondContact O-N 3.07Å; D277-R280 HydrophobicContact CB-CB 4.22Å; D277-R280 HydrophobicContact CB-CG 4.09Å; D277-R280 VanDerWaalsContact O-CB 3.31Å; D277-R280 WeakPolarHBondContact O-CB 3.42Å; D277-R280 PolarHBondContact O-N 3.16Å; D277-G444 VanDerWaalsContact C-CA 3.48Å; D277-G444 VanDerWaalsContact O-CA 3.25Å; D277-G444 WeakPolarHBondContact O-CA 3.48Å; D277-G444 PolarHBondContact O-N 3Å | ||
| 278 | M | 98 | Very high | 97.8 | Very high | 11 Ų | 11 | 35.5 Ų | 35.5 | 5% | 0.054 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -18.9 | -173.7 | -66 | -54.8 | -56.3 | 0 | 0 | 114.3 | Y232 L241 Y245 I265 L275 I276 R280 G445 | Y232-M278 HydrophobicContact CD1-CE 4.12Å; Y232-M278 HydrophobicContact CE1-CE 3.56Å; Y232-M278 HydrophobicContact CE1-SD 4.38Å; Y232-M278 HydrophobicContact CE2-CE 4.36Å; Y232-M278 PolarHBondContact OH-O 3.28Å; L241-M278 HydrophobicContact CD1-CE 4.02Å; Y245-M278 WeakPolarHBondContact CB-O 3.31Å; Y245-M278 HydrophobicContact CD1-CB 3.54Å; Y245-M278 HydrophobicContact CD2-CB 3.83Å; Y245-M278 HydrophobicContact CD2-CE 4.26Å; Y245-M278 HydrophobicContact CE1-CB 3.85Å; Y245-M278 HydrophobicContact CE1-CG 4.35Å; Y245-M278 HydrophobicContact CE2-CB 4.13Å; Y245-M278 HydrophobicContact CE2-CE 4.29Å; Y245-M278 HydrophobicContact CE2-CG 4.42Å; Y245-M278 HydrophobicContact CG-CB 3.53Å; I265-M278 HydrophobicContact CD1-CE 4.44Å; I265-M278 HydrophobicContact CG2-CE 3.94Å; I265-M278 HydrophobicContact CG2-SD 4.45Å; L275-M278 HydrophobicContact CB-CG 3.71Å; L275-M278 HydrophobicContact CB-SD 3.9Å; L275-M278 HydrophobicContact CD1-CE 4.37Å; L275-M278 HydrophobicContact CD1-CG 4.14Å; L275-M278 HydrophobicContact CD1-SD 4.04Å; L275-M278 HydrophobicContact CG-SD 4.42Å; I276-M278 PolarHBondContact O-N 3.35Å; M278-R280 VanDerWaalsContact C-N 3.31Å; M278-G445 PolarHBondContact SD-N 2.96Å |
| 279 | N | 96.8 | Very high | 97.8 | Very high | 78 Ų | 78 | 35.6 Ų | 35.6 | 42% | 0.417 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 4.5 | 174.5 | 66.4 | -23.6 | 0 | 0 | 0 | 113.3 | Y245 D277 | Y245-N279 WeakPolarHBondContact O-CA 3.11Å; Y245-N279 WeakPolarHBondContact O-CB 3.41Å; D277-N279 PolarHBondContact O-N 3.07Å |
| 280 | R | 96.6 | Very high | 97.8 | Very high | 71 Ų | 71 | 31.9 Ų | 31.9 | 27% | 0.268 | 16% | 0.155 | S | C | . | . | trans | -107.6 | 114.1 | -178.3 | -59.4 | -58.1 | -175 | -170.3 | 1.5 | 110.2 | Y232 D277 M278 M443 | Y232-R280 PolarHBondContact OH-O 2.97Å; D277-R280 HydrophobicContact CB-CB 4.22Å; D277-R280 HydrophobicContact CB-CG 4.09Å; D277-R280 VanDerWaalsContact O-CB 3.31Å; D277-R280 WeakPolarHBondContact O-CB 3.42Å; D277-R280 PolarHBondContact O-N 3.16Å; M278-R280 VanDerWaalsContact C-N 3.31Å; R280-M443 HydrophobicContact CB-CB 3.6Å; R280-M443 HydrophobicContact CB-CG 4.02Å; R280-M443 VanDerWaalsContact O-CB 3.24Å; R280-M443 WeakPolarHBondContact O-CB 3.43Å; R280-M443 PolarHBondContact O-N 3.36Å | ||
| 281 | L | 97.7 | Very high | 97.7 | Very high | 14 Ų | 14 | 28 Ų | 28 | 7% | 0.073 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 132.4 | 165.1 | -60.1 | 95 | 0 | 0 | 0 | 108.1 | Y232 I242 A246 L249 L283 I439 Y441 | Y232-L281 HydrophobicContact CD2-CD2 4.19Å; Y232-L281 HydrophobicContact CE2-CD1 3.93Å; Y232-L281 HydrophobicContact CE2-CD2 3.91Å; Y232-L281 HydrophobicContact CE2-CG 4.01Å; I242-L281 HydrophobicContact CD1-CD2 4.24Å; I242-L281 HydrophobicContact CG1-CD2 4.03Å; A246-L281 HydrophobicContact CB-CD1 3.41Å; A246-L281 VanDerWaalsContact CB-CD1 3.41Å; L249-L281 HydrophobicContact CD1-CB 3.77Å; L249-L281 HydrophobicContact CD1-CD1 3.74Å; L249-L281 HydrophobicContact CD1-CG 4.29Å; L281-L283 PolarHBondContact O-N 2.88Å; L281-I439 HydrophobicContact CB-CG2 4.13Å; L281-I439 HydrophobicContact CD2-CG2 3.73Å; L281-Y441 CarbonylContact C-O 3.56Å; L281-Y441 WeakPolarHBondContact CA-O 3.46Å |
| 282 | Q | 98 | Very high | 97.7 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.009 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 129.2 | 176.2 | 166.7 | 172 | 85.4 | 0 | 0 | 109.7 | R328 H440 Y441 M443 D479 R480 | Q282-R328 VanDerWaalsContact CD-NH1 3.33Å; Q282-H440 PolarHBondContact O-N 2.78Å; Q282-H440 PolarHBondContact OE1-CD2 2.92Å; Q282-Y441 PolarHBondContact N-O 2.93Å; Q282-M443 HydrophobicContact CB-CG 4.36Å; Q282-M443 HydrophobicContact CB-SD 3.79Å; Q282-D479 WeakPolarHBondContact CB-OD1 3.34Å; Q282-D479 VanDerWaalsContact CD-OD1 3.27Å; Q282-D479 WeakPolarHBondContact CG-OD1 3.49Å; Q282-D479 PolarHBondContact NE2-OD1 2.91Å; Q282-R480 PolarHBondContact NE2-O 3.43Å |
| 283 | L | 97.9 | Very high | 97.7 | Very high | 19 Ų | 19 | 37.6 Ų | 37.6 | 10% | 0.099 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 122.1 | 160.8 | -66.8 | 178.1 | 0 | 0 | 0 | 109.1 | W248 L249 F252 L281 T332 V438 I439 | W248-L283 HydrophobicContact CH2-CD1 4.33Å; W248-L283 HydrophobicContact CZ3-CD1 4.41Å; L249-L283 HydrophobicContact CD2-CD1 4Å; L249-L283 HydrophobicContact CD2-CD2 3.85Å; L249-L283 HydrophobicContact CD2-CG 4.14Å; F252-L283 HydrophobicContact CD1-CD1 4.11Å; F252-L283 HydrophobicContact CD1-CD2 3.74Å; F252-L283 HydrophobicContact CE1-CD1 3.72Å; F252-L283 HydrophobicContact CE1-CD2 4.22Å; F252-L283 HydrophobicContact CG-CD2 4.29Å; F252-L283 HydrophobicContact CZ-CD1 4.22Å; L281-L283 PolarHBondContact O-N 2.88Å; L283-T332 HydrophobicContact CB-CG2 3.8Å; L283-T332 HydrophobicContact CD1-CG2 3.75Å; L283-T332 HydrophobicContact CG-CG2 4.44Å; L283-T332 PolarHBondContact O-OG1 3.09Å; L283-V438 CarbonylContact C-O 3.15Å; L283-V438 VanDerWaalsContact CA-O 3.31Å; L283-V438 WeakPolarHBondContact CA-O 3.37Å; L283-I439 HydrophobicContact CD2-CB 4.46Å; L283-I439 HydrophobicContact CD2-CG1 3.87Å |
| 284 | H | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 133.7 | 165.7 | -168.5 | -90.2 | 0 | 0 | 0 | 108.6 | T286 L301 A302 E304 R328 P437 V438 H440 | H284-T286 PolarHBondContact CE1-OG1 2.89Å; H284-T286 PolarHBondContact ND1-N 3.14Å; H284-T286 PolarHBondContact ND1-O 2.88Å; H284-T286 PolarHBondContact ND1-OG1 3.27Å; H284-T286 PolarHBondContact O-N 3.12Å; H284-T286 VanDerWaalsContact O-N 3.16Å; H284-L301 HydrophobicContact CB-CD1 4.02Å; H284-L301 VanDerWaalsContact ND1-CD1 3.29Å; H284-L301 WeakPolarHBondContact ND1-CD1 3.47Å; H284-A302 PolarHBondContact CE1-O 3.4Å; H284-E304 IonicContact CD2-OE2 2.7Å; H284-E304 IonicContact NE2-OE2 3.13Å; H284-E304 PolarHBondContact NE2-OE2 3.06Å; H284-E304 VanDerWaalsContact NE2-OE2 3.09Å; H284-R328 PolarHBondContact CD2-NE 3Å; H284-R328 PolarHBondContact CD2-NH2 3.44Å; H284-P437 WeakPolarHBondContact O-CA 3.29Å; H284-V438 HydrophobicContact CB-CG2 4.03Å; H284-V438 PolarHBondContact N-O 3.39Å; H284-V438 WeakPolarHBondContact O-CG2 3.39Å; H284-V438 PolarHBondContact O-N 3.21Å; H284-H440 HydrophobicContact CB-CB 3.65Å |
| 285 | P | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | -21.6 | -173.3 | 25.1 | -35.5 | 0 | 0 | 0 | 113.2 | V331 T332 I335 T436 | P285-V331 HydrophobicContact CB-CB 3.93Å; P285-V331 HydrophobicContact CB-CG1 3.55Å; P285-V331 HydrophobicContact CG-CB 4.07Å; P285-V331 HydrophobicContact CG-CG1 3.93Å; P285-T332 WeakPolarHBondContact CA-OG1 3.42Å; P285-I335 HydrophobicContact CB-CD1 3.69Å; P285-I335 WeakPolarHBondContact O-CD1 3.43Å; P285-T436 CarbonylContact O-C 3.57Å |
| 286 | T | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 88.4 | -170.5 | 62.9 | 0 | 0 | 0 | 0 | 113.2 | H284 A302 L313 V435 | H284-T286 PolarHBondContact CE1-OG1 2.89Å; H284-T286 PolarHBondContact ND1-N 3.14Å; H284-T286 PolarHBondContact ND1-O 2.88Å; H284-T286 PolarHBondContact ND1-OG1 3.27Å; H284-T286 PolarHBondContact O-N 3.12Å; H284-T286 VanDerWaalsContact O-N 3.16Å; T286-A302 WeakPolarHBondContact O-CB 3.18Å; T286-A302 PolarHBondContact O-N 2.91Å; T286-A302 PolarHBondContact OG1-O 2.97Å; T286-A302 VanDerWaalsContact OG1-O 3.08Å; T286-L313 HydrophobicContact CG2-CD1 4.4Å; T286-L313 HydrophobicContact CG2-CD2 4.1Å; T286-V435 HydrophobicContact CG2-CB 4.2Å; T286-V435 HydrophobicContact CG2-CG2 3.88Å |
| 287 | G | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 130.1 | 156.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | V289 F300 V435 T436 | G287-V289 PolarHBondContact O-N 3.23Å; G287-F300 CarbonylContact C-O 3.12Å; G287-V435 CarbonylContact O-C 3.15Å; G287-V435 VanDerWaalsContact O-CA 3.25Å; G287-V435 WeakPolarHBondContact O-CA 3.13Å; G287-T436 PolarHBondContact N-O 3.1Å; G287-T436 PolarHBondContact O-N 3.46Å |
| 288 | F | 98.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.009 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 131.4 | 177.3 | -73.8 | -61.3 | 0 | 0 | 0 | 110.8 | F300 A302 L306 Y370 F376 F377 A433 V435 | F288-F300 HydrophobicContact CD2-CB 4.17Å; F288-F300 PolarHBondContact N-O 2.57Å; F288-A302 HydrophobicContact CD1-CB 3.92Å; F288-A302 HydrophobicContact CD2-CB 3.86Å; F288-A302 HydrophobicContact CE1-CB 3.65Å; F288-A302 HydrophobicContact CE2-CB 3.62Å; F288-A302 HydrophobicContact CG-CB 4.02Å; F288-A302 HydrophobicContact CZ-CB 3.49Å; F288-A302 VanDerWaalsContact CZ-CB 3.49Å; F288-L306 HydrophobicContact CZ-CD1 3.93Å; F288-Y370 AromaticContact CE2-CD1 3.9Å; F288-Y370 HydrophobicContact CE2-CD1 3.9Å; F288-Y370 HydrophobicContact CE2-CE1 4.26Å; F288-Y370 HydrophobicContact CE2-CG 4.08Å; F288-Y370 HydrophobicContact CZ-CG 4.32Å; F288-F376 HydrophobicContact CB-CB 4.26Å; F288-F376 HydrophobicContact CB-CD1 4.01Å; F288-F376 HydrophobicContact CB-CD2 3.86Å; F288-F376 HydrophobicContact CB-CE1 4.28Å; F288-F376 HydrophobicContact CB-CE2 4.13Å; F288-F376 HydrophobicContact CB-CG 3.79Å; F288-F376 HydrophobicContact CB-CZ 4.32Å; F288-F376 HydrophobicContact CD1-CB 3.66Å; F288-F376 HydrophobicContact CD1-CD2 4.17Å; F288-F376 HydrophobicContact CD1-CG 4.06Å; F288-F376 HydrophobicContact CD2-CB 4.34Å; F288-F376 AromaticContact CD2-CD2 3.28Å; F288-F376 HydrophobicContact CD2-CD2 3.28Å; F288-F376 AromaticContact CD2-CE2 3.67Å; F288-F376 HydrophobicContact CD2-CE2 3.67Å; F288-F376 AromaticContact CD2-CG 3.97Å; F288-F376 HydrophobicContact CD2-CG 3.97Å; F288-F376 HydrophobicContact CE1-CB 3.99Å; F288-F376 AromaticContact CE2-CD2 3.71Å; F288-F376 HydrophobicContact CE2-CD2 3.71Å; F288-F376 HydrophobicContact CE2-CE2 4.33Å; F288-F376 HydrophobicContact CG-CB 3.86Å; F288-F376 HydrophobicContact CG-CD1 4.42Å; F288-F376 AromaticContact CG-CD2 3.52Å; F288-F376 HydrophobicContact CG-CD2 3.52Å; F288-F376 HydrophobicContact CG-CE2 4.11Å; F288-F376 AromaticContact CG-CG 3.7Å; F288-F376 HydrophobicContact CG-CG 3.7Å; F288-F376 HydrophobicContact CZ-CB 4.44Å; F288-F376 HydrophobicContact CZ-CD2 4.34Å; F288-F377 HydrophobicContact CE1-CD2 4.36Å; F288-F377 AromaticContact CE1-CE2 3.66Å; F288-F377 HydrophobicContact CE1-CE2 3.66Å; F288-F377 AromaticContact CE1-CZ 3.86Å; F288-F377 HydrophobicContact CE1-CZ 3.86Å; F288-F377 HydrophobicContact CZ-CD2 4.47Å; F288-F377 AromaticContact CZ-CE2 3.61Å; F288-F377 HydrophobicContact CZ-CE2 3.61Å; F288-F377 HydrophobicContact CZ-CZ 4.07Å; F288-A433 HydrophobicContact CD1-CB 3.94Å; F288-A433 HydrophobicContact CE1-CB 3.74Å; F288-V435 HydrophobicContact CD1-CG1 4.15Å |
| 289 | V | 98.5 | Very high | 97.3 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.012 | 22% | 0.223 | C | C | . | . | trans | -85.8 | 108.4 | 165.7 | 179.8 | 0 | 0 | 0 | 0 | 107.1 | G287 P291 P294 V345 R434 T436 | G287-V289 PolarHBondContact O-N 3.23Å; V289-P291 WeakPolarHBondContact O-CD 3.41Å; V289-P294 HydrophobicContact CG1-CB 3.95Å; V289-V345 HydrophobicContact CB-CG2 4.42Å; V289-V345 HydrophobicContact CG1-CG1 4.47Å; V289-V345 HydrophobicContact CG1-CG2 3.51Å; V289-V345 HydrophobicContact CG2-CG1 3.76Å; V289-V345 HydrophobicContact CG2-CG2 4.01Å; V289-R434 HydrophobicContact CB-CB 3.91Å; V289-R434 HydrophobicContact CG2-CB 4.3Å; V289-R434 PolarHBondContact N-O 3.12Å; V289-T436 HydrophobicContact CG2-CG2 3.9Å | ||
| 290 | D | 97.7 | Very high | 97.3 | Very high | 26 Ų | 26 | 44.4 Ų | 44.4 | 14% | 0.139 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -66.8 | 120.1 | 171.8 | -174.1 | -21.6 | 0 | 0 | 0 | 108.8 | K292 H293 P294 F376 | D290-K292 PolarHBondContact O-N 2.9Å; D290-K292 VanDerWaalsContact O-N 3.14Å; D290-K292 WeakPolarHBondContact OD1-CB 3.5Å; D290-K292 PolarHBondContact OD1-N 2.99Å; D290-H293 HydrophobicContact CB-CB 4.33Å; D290-H293 CarbonylContact O-C 3.59Å; D290-H293 PolarHBondContact O-N 3.38Å; D290-H293 IonicContact OD2-ND1 2.69Å; D290-H293 PolarHBondContact OD2-ND1 2.85Å; D290-P294 WeakPolarHBondContact O-CA 3.36Å; D290-F376 HydrophobicContact CB-CD1 4.46Å; D290-F376 HydrophobicContact CB-CE1 3.93Å |
| 291 | P | 94 | Very high | 97.3 | Very high | 81 Ų | 81 | 42.1 Ų | 42.1 | 53% | 0.526 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -26.1 | 178.6 | -24.2 | 34.6 | 0 | 0 | 0 | 113.7 | V289 | V289-P291 WeakPolarHBondContact O-CD 3.41Š|
| 292 | K | 96 | Very high | 97.3 | Very high | 151 Ų | 151 | 41.5 Ų | 41.5 | 66% | 0.657 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -23.7 | 177.8 | -64.7 | -180 | 178 | -179.9 | 0 | 113 | D290 | D290-K292 PolarHBondContact O-N 2.9Å; D290-K292 VanDerWaalsContact O-N 3.14Å; D290-K292 WeakPolarHBondContact OD1-CB 3.5Å; D290-K292 PolarHBondContact OD1-N 2.99Å |
| 293 | H | 97.2 | Very high | 97.1 | Very high | 103 Ų | 103 | 41.5 Ų | 41.5 | 48% | 0.477 | 21% | 0.213 | S | C | . | . | B | Isolated β-bridge | trans | -140 | 61.6 | -176.2 | -47.4 | 100 | 0 | 0 | 0 | 110.5 | D290 D295 A296 | D290-H293 HydrophobicContact CB-CB 4.33Å; D290-H293 CarbonylContact O-C 3.59Å; D290-H293 PolarHBondContact O-N 3.38Å; D290-H293 IonicContact OD2-ND1 2.69Å; D290-H293 PolarHBondContact OD2-ND1 2.85Å; H293-D295 PolarHBondContact O-N 3.48Å; H293-A296 HydrophobicContact CB-CB 4.07Å; H293-A296 VanDerWaalsContact O-CB 3.27Å; H293-A296 WeakPolarHBondContact O-CB 2.76Å; H293-A296 PolarHBondContact O-N 3.36Å; H293-A296 VanDerWaalsContact O-N 3.13Å |
| 294 | P | 97.2 | Very high | 97 | Very high | 28 Ų | 28 | 40.6 Ų | 40.6 | 18% | 0.182 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -27.9 | -173.1 | 26.1 | -35.1 | 0 | 0 | 0 | 112.6 | V289 D290 K299 A344 V345 | V289-P294 HydrophobicContact CG1-CB 3.95Å; D290-P294 WeakPolarHBondContact O-CA 3.36Å; P294-K299 PolarHBondContact O-NZ 3.38Å; P294-A344 CarbonylContact C-O 3.54Å; P294-A344 VanDerWaalsContact C-O 3.31Å; P294-A344 HydrophobicContact CB-CB 4.25Å; P294-A344 HydrophobicContact CG-CB 4.1Å; P294-V345 HydrophobicContact CB-CG2 4.13Å; P294-V345 WeakPolarHBondContact O-CA 3.41Å |
| 295 | D | 96.2 | Very high | 96.9 | Very high | 99 Ų | 99 | 40.6 Ų | 40.6 | 53% | 0.529 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 3.4 | -179.6 | 70.6 | -29.6 | 0 | 0 | 0 | 113.7 | H293 K297 A344 | H293-D295 PolarHBondContact O-N 3.48Å; D295-K297 PolarHBondContact O-N 3.07Å; D295-A344 WeakPolarHBondContact CA-O 3.32Å; D295-A344 WeakPolarHBondContact CB-O 3.32Å; D295-A344 PolarHBondContact N-O 3.17Å |
| 296 | A | 96.6 | Very high | 96.8 | Very high | 30 Ų | 30 | 40.7 Ų | 40.7 | 25% | 0.248 | 21% | 0.209 | C | C | . | . | trans | -54.8 | 123.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | H293 T298 K299 | H293-A296 HydrophobicContact CB-CB 4.07Å; H293-A296 VanDerWaalsContact O-CB 3.27Å; H293-A296 WeakPolarHBondContact O-CB 2.76Å; H293-A296 PolarHBondContact O-N 3.36Å; H293-A296 VanDerWaalsContact O-N 3.13Å; A296-T298 VanDerWaalsContact C-N 3.3Å; A296-T298 PolarHBondContact O-N 3.35Å; A296-K299 WeakPolarHBondContact O-CE 3.1Å; A296-K299 WeakPolarHBondContact O-CG 3.34Å; A296-K299 PolarHBondContact O-NZ 2.8Å | ||
| 297 | K | 95.5 | Very high | 96.7 | Very high | 132 Ų | 132 | 40.7 Ų | 40.7 | 57% | 0.574 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -65.3 | -32.8 | 177.2 | -68.4 | -170.4 | 177.6 | -174.2 | 0 | 112.5 | P253 T254 D295 | P253-K297 CarbonylContact C-O 3.25Å; P253-K297 WeakPolarHBondContact CA-O 3.28Å; P253-K297 WeakPolarHBondContact CB-O 3.49Å; T254-K297 PolarHBondContact N-O 3.36Å; D295-K297 PolarHBondContact O-N 3.07Å |
| 298 | T | 97.4 | Very high | 96.7 | Very high | 69 Ų | 69 | 40.7 Ų | 40.7 | 42% | 0.423 | 21% | 0.209 | S | C | . | . | B | Isolated β-bridge | trans | -104.9 | 119 | 171.9 | -53.1 | 0 | 0 | 0 | 0 | 109.7 | T254 N256 A296 | T254-T298 CarbonylContact O-C 3.58Å; T254-T298 VanDerWaalsContact O-CA 3.24Å; T254-T298 WeakPolarHBondContact O-CA 3.35Å; N256-T298 WeakPolarHBondContact O-CG2 3.45Å; A296-T298 VanDerWaalsContact C-N 3.3Å; A296-T298 PolarHBondContact O-N 3.35Å |
| 299 | K | 97.8 | Very high | 96.5 | Very high | 10 Ų | 10 | 41.4 Ų | 41.4 | 4% | 0.043 | 21% | 0.212 | C | C | . | . | trans | -111.6 | 150.7 | -178.9 | -64.8 | -175.4 | -173.8 | -59.3 | 0 | 110.9 | P253 T254 T255 P294 A296 T436 V438 | P253-K299 HydrophobicContact CB-CD 3.73Å; P253-K299 VanDerWaalsContact CB-CE 3.49Å; P253-K299 HydrophobicContact CB-CG 3.94Å; P253-K299 HydrophobicContact CG-CD 3.83Å; P253-K299 VanDerWaalsContact CG-CE 3.46Å; T254-K299 PolarHBondContact O-N 2.98Å; T255-K299 WeakPolarHBondContact CA-O 3.29Å; P294-K299 PolarHBondContact O-NZ 3.38Å; A296-K299 WeakPolarHBondContact O-CE 3.1Å; A296-K299 WeakPolarHBondContact O-CG 3.34Å; A296-K299 PolarHBondContact O-NZ 2.8Å; K299-T436 HydrophobicContact CD-CG2 3.7Å; K299-V438 HydrophobicContact CB-CG1 4.08Å; K299-V438 HydrophobicContact CD-CG1 3.97Å; K299-V438 HydrophobicContact CG-CG1 4.44Å | ||
| 300 | F | 96.7 | Very high | 96.5 | Very high | 92 Ų | 92 | 41.3 Ų | 41.3 | 40% | 0.404 | 21% | 0.212 | S | C | . | . | trans | -71.4 | 133.3 | 170 | -83.3 | -101.6 | 0 | 0 | 0 | 109.4 | G287 F288 A302 K374 F376 | G287-F300 CarbonylContact C-O 3.12Å; F288-F300 HydrophobicContact CD2-CB 4.17Å; F288-F300 PolarHBondContact N-O 2.57Å; F300-A302 PolarHBondContact O-N 2.88Å; F300-K374 HydrophobicContact CZ-CD 4.46Å; F300-F376 HydrophobicContact CB-CE2 3.46Å; F300-F376 VanDerWaalsContact CB-CE2 3.46Å; F300-F376 HydrophobicContact CB-CZ 3.57Å; F300-F376 HydrophobicContact CD1-CE2 4.22Å; F300-F376 HydrophobicContact CD1-CZ 4.44Å; F300-F376 HydrophobicContact CD2-CE2 4.15Å; F300-F376 AromaticContact CD2-CZ 3.57Å; F300-F376 HydrophobicContact CD2-CZ 3.57Å; F300-F376 HydrophobicContact CE2-CZ 4.39Å; F300-F376 AromaticContact CG-CE2 3.68Å; F300-F376 HydrophobicContact CG-CE2 3.68Å; F300-F376 AromaticContact CG-CZ 3.6Å; F300-F376 HydrophobicContact CG-CZ 3.6Å | ||
| 301 | L | 97 | Very high | 96.5 | Very high | 24 Ų | 24 | 40.1 Ų | 40.1 | 13% | 0.126 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -64 | 128.4 | 171.3 | -174.7 | 75.2 | 0 | 0 | 0 | 109.3 | T255 H284 P303 | T255-L301 HydrophobicContact CG2-CB 3.98Å; T255-L301 HydrophobicContact CG2-CD1 3.99Å; H284-L301 HydrophobicContact CB-CD1 4.02Å; H284-L301 VanDerWaalsContact ND1-CD1 3.29Å; H284-L301 WeakPolarHBondContact ND1-CD1 3.47Å; L301-P303 VanDerWaalsContact O-CD 3.3Å; L301-P303 WeakPolarHBondContact O-CD 3.49Å |
| 302 | A | 97.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -77.1 | 110.2 | 159.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | H284 T286 F288 F300 E304 L306 L352 V435 | H284-A302 PolarHBondContact CE1-O 3.4Å; T286-A302 WeakPolarHBondContact O-CB 3.18Å; T286-A302 PolarHBondContact O-N 2.91Å; T286-A302 PolarHBondContact OG1-O 2.97Å; T286-A302 VanDerWaalsContact OG1-O 3.08Å; F288-A302 HydrophobicContact CD1-CB 3.92Å; F288-A302 HydrophobicContact CD2-CB 3.86Å; F288-A302 HydrophobicContact CE1-CB 3.65Å; F288-A302 HydrophobicContact CE2-CB 3.62Å; F288-A302 HydrophobicContact CG-CB 4.02Å; F288-A302 HydrophobicContact CZ-CB 3.49Å; F288-A302 VanDerWaalsContact CZ-CB 3.49Å; F300-A302 PolarHBondContact O-N 2.88Å; A302-E304 PolarHBondContact O-N 3.08Å; A302-L306 HydrophobicContact CB-CD1 4.27Å; A302-L352 HydrophobicContact CB-CD2 4.24Å; A302-V435 HydrophobicContact CB-CG1 4.17Å | ||
| 303 | P | 94.5 | Very high | 96.9 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.019 | 15% | 0.15 | C | C | . | . | trans | -56.6 | 138.2 | -169.8 | -22.2 | 30.4 | 0 | 0 | 0 | 110.9 | S72 L301 A305 L306 Y370 | S72-P303 WeakPolarHBondContact OG-CG 3.42Å; L301-P303 VanDerWaalsContact O-CD 3.3Å; L301-P303 WeakPolarHBondContact O-CD 3.49Å; P303-A305 PolarHBondContact O-N 3.42Å; P303-L306 WeakPolarHBondContact O-CB 3.43Å; P303-L306 PolarHBondContact O-N 3.38Å; P303-Y370 HydrophobicContact CG-CE2 3.81Å; P303-Y370 VanDerWaalsContact CG-OH 3.27Å; P303-Y370 WeakPolarHBondContact CG-OH 3.26Å | ||
| 304 | E | 96.1 | Very high | 97 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56.5 | -28 | 178.9 | -170.5 | 149 | 136.1 | 0 | 0 | 112.7 | S73 L139 A140 H284 A302 L306 R307 G308 R328 | S73-E304 PolarHBondContact OG-N 3.43Å; L139-E304 HydrophobicContact CB-CG 4.05Å; L139-E304 HydrophobicContact CD1-CB 4.31Å; L139-E304 HydrophobicContact CD1-CG 4.39Å; L139-E304 HydrophobicContact CD2-CB 4.14Å; L139-E304 HydrophobicContact CD2-CG 4.06Å; L139-E304 HydrophobicContact CG-CG 4.39Å; A140-E304 WeakPolarHBondContact CA-OE1 3.28Å; A140-E304 HydrophobicContact CB-CG 4.27Å; A140-E304 WeakPolarHBondContact CB-OE1 3.46Å; A140-E304 PolarHBondContact N-OE1 3.29Å; H284-E304 IonicContact CD2-OE2 2.7Å; H284-E304 IonicContact NE2-OE2 3.13Å; H284-E304 PolarHBondContact NE2-OE2 3.06Å; H284-E304 VanDerWaalsContact NE2-OE2 3.09Å; A302-E304 PolarHBondContact O-N 3.08Å; E304-L306 PolarHBondContact O-N 3.34Å; E304-L306 VanDerWaalsContact O-N 3.16Å; E304-R307 VanDerWaalsContact CD-NH2 3.3Å; E304-R307 VanDerWaalsContact CG-NH2 3.3Å; E304-R307 PolarHBondContact O-N 2.97Å; E304-R307 IonicContact OE2-NH2 3.99Å; E304-R307 PolarHBondContact OE2-NH2 2.87Å; E304-G308 PolarHBondContact O-N 2.83Å; E304-R328 IonicContact OE1-NE 2.57Å; E304-R328 IonicContact OE2-CZ 3.18Å; E304-R328 IonicContact OE2-NE 3.55Å; E304-R328 PolarHBondContact OE2-NE 3.04Å; E304-R328 IonicContact OE2-NH2 3.68Å; E304-R328 PolarHBondContact OE2-NH2 3.49Å |
| 305 | A | 94.7 | Very high | 97 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.2 | -24.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L139 P303 R307 G308 F309 I362 | L139-A305 HydrophobicContact CD2-CB 4.21Å; P303-A305 PolarHBondContact O-N 3.42Å; A305-R307 VanDerWaalsContact C-N 3.32Å; A305-G308 CarbonylContact O-C 3.31Å; A305-G308 PolarHBondContact O-N 3.43Å; A305-F309 HydrophobicContact CB-CD2 4.24Å; A305-F309 HydrophobicContact CB-CE2 4.1Å; A305-F309 WeakPolarHBondContact O-CB 3.3Å; A305-F309 WeakPolarHBondContact O-CD2 3.37Å; A305-F309 PolarHBondContact O-N 3.03Å; A305-I362 HydrophobicContact CB-CD1 3.65Å |
| 306 | L | 96.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.2 | -44.6 | 173.5 | -74.3 | 164.4 | 0 | 0 | 0 | 110.3 | F288 A302 P303 E304 G311 L352 V354 I358 I362 F367 F377 | F288-L306 HydrophobicContact CZ-CD1 3.93Å; A302-L306 HydrophobicContact CB-CD1 4.27Å; P303-L306 WeakPolarHBondContact O-CB 3.43Å; P303-L306 PolarHBondContact O-N 3.38Å; E304-L306 PolarHBondContact O-N 3.34Å; E304-L306 VanDerWaalsContact O-N 3.16Å; L306-G311 WeakPolarHBondContact O-CA 3.18Å; L306-G311 PolarHBondContact O-N 3.07Å; L306-L352 HydrophobicContact CB-CD2 4.18Å; L306-L352 HydrophobicContact CD1-CD2 3.85Å; L306-V354 HydrophobicContact CD2-CG1 4.23Å; L306-I358 HydrophobicContact CD2-CG2 4.28Å; L306-I362 HydrophobicContact CD2-CD1 4.03Å; L306-I362 HydrophobicContact CD2-CG1 3.76Å; L306-I362 HydrophobicContact CG-CD1 4.07Å; L306-I362 HydrophobicContact CG-CG1 4.37Å; L306-F367 HydrophobicContact CD2-CD2 4.43Å; L306-F377 HydrophobicContact CD1-CE2 4.43Å; L306-F377 HydrophobicContact CD1-CZ 4.13Å; L306-F377 HydrophobicContact CD2-CZ 4.43Å |
| 307 | R | 98 | Very high | 97.2 | Very high | 1 Ų | 1 | 22 Ų | 22 | 0% | 0.004 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -71.4 | -39.5 | 171.6 | -65.2 | -178.5 | -71.5 | 113.8 | -4.3 | 111.3 | A140 E304 A305 F309 G310 E324 L325 L352 | A140-R307 VanDerWaalsContact CB-NH1 3.34Å; E304-R307 VanDerWaalsContact CD-NH2 3.3Å; E304-R307 VanDerWaalsContact CG-NH2 3.3Å; E304-R307 PolarHBondContact O-N 2.97Å; E304-R307 IonicContact OE2-NH2 3.99Å; E304-R307 PolarHBondContact OE2-NH2 2.87Å; A305-R307 VanDerWaalsContact C-N 3.32Å; R307-F309 PolarHBondContact O-N 2.71Å; R307-G310 WeakPolarHBondContact O-CA 3.39Å; R307-G310 PolarHBondContact O-N 3.45Å; R307-E324 HydrophobicContact CB-CB 4.34Å; R307-E324 WeakPolarHBondContact CD-O 3.43Å; R307-E324 HydrophobicContact CG-CB 4.29Å; R307-E324 PolarHBondContact NH1-O 3.49Å; R307-L325 HydrophobicContact CB-CD2 4.21Å; R307-L352 HydrophobicContact CG-CD1 4.36Å |
| 308 | G | 96.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.01 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -56.8 | -32.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | I138 E304 A305 | I138-G308 WeakPolarHBondContact O-CA 3.32Å; E304-G308 PolarHBondContact O-N 2.83Å; A305-G308 CarbonylContact O-C 3.31Å; A305-G308 PolarHBondContact O-N 3.43Å |
| 309 | F | 96.2 | Very high | 97.3 | Very high | 16 Ų | 16 | 19.5 Ų | 19.5 | 7% | 0.07 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 3.5 | 174 | -68.2 | -53.7 | 0 | 0 | 0 | 114 | Q135 V137 A305 R307 I358 K361 I362 | Q135-F309 HydrophobicContact CG-CZ 4.41Å; V137-F309 HydrophobicContact CB-CE1 3.89Å; V137-F309 HydrophobicContact CB-CZ 3.82Å; V137-F309 HydrophobicContact CG2-CD1 3.76Å; V137-F309 HydrophobicContact CG2-CD2 4.35Å; V137-F309 HydrophobicContact CG2-CE1 3.47Å; V137-F309 VanDerWaalsContact CG2-CE1 3.47Å; V137-F309 HydrophobicContact CG2-CE2 4.1Å; V137-F309 HydrophobicContact CG2-CG 4.2Å; V137-F309 HydrophobicContact CG2-CZ 3.65Å; A305-F309 HydrophobicContact CB-CD2 4.24Å; A305-F309 HydrophobicContact CB-CE2 4.1Å; A305-F309 WeakPolarHBondContact O-CB 3.3Å; A305-F309 WeakPolarHBondContact O-CD2 3.37Å; A305-F309 PolarHBondContact O-N 3.03Å; R307-F309 PolarHBondContact O-N 2.71Å; F309-I358 HydrophobicContact CB-CG2 4.15Å; F309-I358 WeakPolarHBondContact O-CG1 3.43Å; F309-K361 HydrophobicContact CB-CB 4.24Å; F309-K361 HydrophobicContact CB-CD 4.32Å; F309-K361 HydrophobicContact CD1-CB 3.82Å; F309-K361 HydrophobicContact CD1-CD 3.93Å; F309-K361 HydrophobicContact CD1-CG 4.36Å; F309-K361 HydrophobicContact CD2-CB 3.96Å; F309-K361 HydrophobicContact CE1-CB 4.1Å; F309-K361 HydrophobicContact CE2-CB 4.24Å; F309-K361 HydrophobicContact CG-CB 3.75Å; F309-K361 HydrophobicContact CG-CD 4.3Å; F309-K361 HydrophobicContact CZ-CB 4.3Å; F309-I362 HydrophobicContact CD2-CD1 3.56Å; F309-I362 HydrophobicContact CD2-CG1 3.81Å; F309-I362 HydrophobicContact CE2-CD1 3.87Å; F309-I362 HydrophobicContact CE2-CG1 4.3Å |
| 310 | G | 97.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 110.3 | 10.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | R307 I312 F424 | R307-G310 WeakPolarHBondContact O-CA 3.39Å; R307-G310 PolarHBondContact O-N 3.45Å; G310-I312 PolarHBondContact O-N 3.3Å; G310-F424 WeakPolarHBondContact O-CE2 3.49Å; G310-F424 WeakPolarHBondContact O-CZ 3.43Å |
| 311 | G | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.076 | C | C | . | . | trans | -58.8 | 134.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L306 V353 | L306-G311 WeakPolarHBondContact O-CA 3.18Å; L306-G311 PolarHBondContact O-N 3.07Å; G311-V353 WeakPolarHBondContact CA-O 3.38Å | ||
| 312 | I | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 153 | -176.6 | 61.4 | 177.5 | 0 | 0 | 0 | 111.4 | G310 L314 E324 L352 V353 L401 Y404 F424 | G310-I312 PolarHBondContact O-N 3.3Å; I312-L314 HydrophobicContact CD1-CD2 4.06Å; I312-L314 HydrophobicContact CG1-CD2 4.37Å; I312-E324 WeakPolarHBondContact CA-OE1 3.35Å; I312-E324 WeakPolarHBondContact CB-OE1 3.3Å; I312-L352 WeakPolarHBondContact O-CA 3.32Å; I312-V353 HydrophobicContact CG1-CB 3.93Å; I312-V353 PolarHBondContact N-O 3.32Å; I312-V353 PolarHBondContact O-N 2.82Å; I312-L401 HydrophobicContact CD1-CD2 3.9Å; I312-Y404 HydrophobicContact CG2-CD2 3.7Å; I312-Y404 HydrophobicContact CG2-CE2 3.49Å; I312-Y404 VanDerWaalsContact CG2-CE2 3.49Å; I312-F424 HydrophobicContact CD1-CD2 4.35Å; I312-F424 HydrophobicContact CD1-CE2 4.16Å; I312-F424 HydrophobicContact CD1-CZ 4.35Å; I312-F424 HydrophobicContact CG1-CE2 4.25Å; I312-F424 HydrophobicContact CG1-CZ 4.12Å; I312-F424 HydrophobicContact CG2-CE2 3.79Å; I312-F424 HydrophobicContact CG2-CZ 4.26Å |
| 313 | L | 98.9 | Very high | 97.5 | Very high | 4 Ų | 4 | 18.1 Ų | 18.1 | 2% | 0.021 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 127.3 | 175.7 | -66.7 | 177.5 | 0 | 0 | 0 | 110.1 | T286 R320 F321 E324 V331 I335 A350 F351 L352 V435 | T286-L313 HydrophobicContact CG2-CD1 4.4Å; T286-L313 HydrophobicContact CG2-CD2 4.1Å; L313-R320 WeakPolarHBondContact O-CA 3.35Å; L313-F321 HydrophobicContact CB-CE1 4.01Å; L313-F321 HydrophobicContact CB-CZ 3.81Å; L313-F321 HydrophobicContact CD1-CZ 4.4Å; L313-E324 HydrophobicContact CB-CG 4.17Å; L313-E324 HydrophobicContact CD1-CG 4.49Å; L313-E324 HydrophobicContact CG-CG 4.08Å; L313-E324 PolarHBondContact N-OE1 3.23Å; L313-V331 HydrophobicContact CD1-CG1 3.68Å; L313-I335 HydrophobicContact CD1-CD1 4.34Å; L313-A350 HydrophobicContact CD2-CB 4.47Å; L313-F351 CarbonylContact C-O 3.44Å; L313-F351 WeakPolarHBondContact CA-O 3.46Å; L313-L352 HydrophobicContact CD2-CB 4.02Å; L313-L352 HydrophobicContact CD2-CD1 3.99Å; L313-V435 HydrophobicContact CD2-CG2 3.92Å |
| 314 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 143.3 | 178.2 | -51.7 | -174.9 | 0 | 0 | 0 | 110.8 | I312 R319 R320 F351 V353 L386 M390 I397 T400 | I312-L314 HydrophobicContact CD1-CD2 4.06Å; I312-L314 HydrophobicContact CG1-CD2 4.37Å; L314-R319 WeakPolarHBondContact CA-O 3.29Å; L314-R320 HydrophobicContact CD2-CG 3.76Å; L314-F351 HydrophobicContact CB-CB 4.34Å; L314-F351 PolarHBondContact N-O 2.98Å; L314-F351 PolarHBondContact O-N 3.21Å; L314-V353 HydrophobicContact CD1-CG2 3.72Å; L314-V353 HydrophobicContact CG-CG2 4.07Å; L314-L386 HydrophobicContact CD1-CD2 4.49Å; L314-M390 HydrophobicContact CB-CE 3.85Å; L314-M390 HydrophobicContact CD1-CE 4.1Å; L314-M390 HydrophobicContact CD1-SD 4.01Å; L314-I397 HydrophobicContact CD1-CD1 4Å; L314-T400 HydrophobicContact CD2-CG2 3.64Å |
| 315 | N | 98.7 | Very high | 97.8 | Very high | 13 Ų | 13 | 18.7 Ų | 18.7 | 7% | 0.07 | 9% | 0.088 | C | C | . | . | trans | -87.4 | -175.1 | 169.2 | 67.9 | 13.3 | 0 | 0 | 0 | 111.7 | S317 G318 R319 F321 F338 M390 | N315-S317 PolarHBondContact O-N 2.7Å; N315-S317 VanDerWaalsContact O-N 3.11Å; N315-S317 WeakPolarHBondContact OD1-CA 3.25Å; N315-S317 WeakPolarHBondContact OD1-CB 3.44Å; N315-S317 PolarHBondContact OD1-N 3.41Å; N315-G318 PolarHBondContact O-N 3.45Å; N315-G318 PolarHBondContact OD1-N 3.05Å; N315-R319 PolarHBondContact N-O 2.77Å; N315-R319 PolarHBondContact OD1-N 3.24Å; N315-R319 PolarHBondContact OD1-O 3.49Å; N315-F321 HydrophobicContact CB-CD1 3.9Å; N315-F321 HydrophobicContact CB-CE1 4.2Å; N315-F338 VanDerWaalsContact CB-O 3.25Å; N315-F338 WeakPolarHBondContact CB-O 3.45Å; N315-F338 PolarHBondContact ND2-O 2.9Å; N315-M390 WeakPolarHBondContact O-CE 3.45Å | ||
| 316 | Q | 97.8 | Very high | 97.9 | Very high | 40 Ų | 40 | 19.5 Ų | 19.5 | 19% | 0.187 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -3.5 | -179.7 | -68.5 | 76.1 | 8.7 | 0 | 0 | 114.1 | C339 K340 V349 F351 V392 | Q316-C339 VanDerWaalsContact OE1-CA 3.28Å; Q316-K340 HydrophobicContact CB-CD 3.94Å; Q316-K340 HydrophobicContact CB-CG 4.03Å; Q316-K340 HydrophobicContact CG-CB 3.94Å; Q316-K340 HydrophobicContact CG-CD 3.83Å; Q316-K340 HydrophobicContact CG-CG 3.75Å; Q316-V349 PolarHBondContact NE2-O 2.86Å; Q316-F351 HydrophobicContact CG-CE2 4.23Å; Q316-V392 WeakPolarHBondContact O-CG1 3.22Å |
| 317 | S | 97.8 | Very high | 97.9 | Very high | 56 Ų | 56 | 21 Ų | 21 | 39% | 0.392 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 7.5 | 170 | -57.1 | 0 | 0 | 0 | 0 | 112.1 | N315 R319 | N315-S317 PolarHBondContact O-N 2.7Å; N315-S317 VanDerWaalsContact O-N 3.11Å; N315-S317 WeakPolarHBondContact OD1-CA 3.25Å; N315-S317 WeakPolarHBondContact OD1-CB 3.44Å; N315-S317 PolarHBondContact OD1-N 3.41Å; S317-R319 VanDerWaalsContact C-N 3.26Å; S317-R319 PolarHBondContact O-N 2.76Å |
| 318 | G | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | S | Bend | trans | 75 | 11.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | N315 T400 | N315-G318 PolarHBondContact O-N 3.45Å; N315-G318 PolarHBondContact OD1-N 3.05Å; G318-T400 PolarHBondContact O-OG1 3.09Å |
| 319 | R | 98.2 | Very high | 97.8 | Very high | 147 Ų | 147 | 22.8 Ų | 22.8 | 56% | 0.555 | 11% | 0.111 | S | C | * | . | trans | -106.1 | 145.8 | -174.8 | -62 | -169.4 | -63.8 | -146.6 | -0.4 | 112.1 | L314 N315 S317 | L314-R319 WeakPolarHBondContact CA-O 3.29Å; N315-R319 PolarHBondContact N-O 2.77Å; N315-R319 PolarHBondContact OD1-N 3.24Å; N315-R319 PolarHBondContact OD1-O 3.49Å; S317-R319 VanDerWaalsContact C-N 3.26Å; S317-R319 PolarHBondContact O-N 2.76Å | ||
| 320 | R | 98.4 | Very high | 97.9 | Very high | 17 Ų | 17 | 24.6 Ų | 24.6 | 6% | 0.064 | 12% | 0.123 | C | C | . | . | trans | -63.1 | 156 | 162 | -67.2 | 176.1 | 69.1 | -134.2 | -5.2 | 109.8 | L313 L314 E324 T400 D413 Y415 | L313-R320 WeakPolarHBondContact O-CA 3.35Å; L314-R320 HydrophobicContact CD2-CG 3.76Å; R320-E324 IonicContact CZ-OE1 3.47Å; R320-E324 IonicContact CZ-OE2 2.78Å; R320-E324 IonicContact NE-OE1 2.7Å; R320-E324 PolarHBondContact NE-OE1 2.71Å; R320-E324 IonicContact NE-OE2 3.66Å; R320-E324 IonicContact NH2-OE1 3.3Å; R320-E324 PolarHBondContact NH2-OE1 3.4Å; R320-E324 IonicContact NH2-OE2 3.9Å; R320-E324 PolarHBondContact NH2-OE2 2.98Å; R320-T400 HydrophobicContact CG-CG2 3.85Å; R320-D413 IonicContact CZ-OD2 2.89Å; R320-D413 VanDerWaalsContact CZ-OD2 3.3Å; R320-D413 IonicContact NH1-OD2 2.63Å; R320-D413 PolarHBondContact NH1-OD2 3.21Å; R320-D413 IonicContact NH2-OD2 2.76Å; R320-D413 PolarHBondContact NH2-OD2 2.98Å; R320-Y415 HydrophobicContact CB-CE2 3.91Å; R320-Y415 PolarHBondContact O-OH 3.24Å | ||
| 321 | F | 98.1 | Very high | 98 | Very high | 15 Ų | 15 | 24.6 Ų | 24.6 | 7% | 0.066 | 12% | 0.123 | C | C | . | . | trans | -146 | -1.6 | -175 | 55.8 | -97.6 | 0 | 0 | 0 | 114 | L313 N315 A334 I335 F338 A350 | L313-F321 HydrophobicContact CB-CE1 4.01Å; L313-F321 HydrophobicContact CB-CZ 3.81Å; L313-F321 HydrophobicContact CD1-CZ 4.4Å; N315-F321 HydrophobicContact CB-CD1 3.9Å; N315-F321 HydrophobicContact CB-CE1 4.2Å; F321-A334 HydrophobicContact CD2-CB 3.82Å; F321-A334 HydrophobicContact CE2-CB 4.03Å; F321-I335 HydrophobicContact CE2-CG1 3.84Å; F321-I335 HydrophobicContact CZ-CG1 3.8Å; F321-F338 HydrophobicContact CB-CB 3.81Å; F321-F338 HydrophobicContact CB-CD2 3.91Å; F321-F338 HydrophobicContact CB-CG 3.95Å; F321-F338 HydrophobicContact CD2-CB 4.21Å; F321-F338 HydrophobicContact CD2-CD2 4.14Å; F321-F338 HydrophobicContact CG-CB 3.95Å; F321-F338 HydrophobicContact CG-CD2 4.36Å; F321-F338 HydrophobicContact CG-CG 4.48Å; F321-A350 HydrophobicContact CE1-CB 4.32Å; F321-A350 HydrophobicContact CZ-CB 4.05Å | ||
| 322 | E | 98 | Very high | 97.9 | Very high | 42 Ų | 42 | 25 Ų | 25 | 20% | 0.196 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -164.9 | 161.8 | 178.8 | -172.5 | 49.1 | -88.7 | 0 | 0 | 109.4 | E324 A326 T330 V331 A334 | E322-E324 PolarHBondContact O-N 3.29Å; E322-A326 HydrophobicContact CG-CB 4.29Å; E322-T330 HydrophobicContact CG-CG2 4.46Å; E322-T330 WeakPolarHBondContact OE2-CG2 3.17Å; E322-V331 HydrophobicContact CG-CG2 4.25Å; E322-A334 HydrophobicContact CB-CB 3.81Å; E322-A334 HydrophobicContact CG-CB 4.02Å |
| 323 | N | 98.2 | Very high | 97.9 | Very high | 23 Ų | 23 | 27.5 Ų | 27.5 | 12% | 0.123 | 15% | 0.146 | C | C | . | . | trans | -66.9 | 115.4 | 161.9 | 172.4 | 7.9 | 0 | 0 | 0 | 109.5 | L325 A326 K417 | N323-L325 PolarHBondContact O-N 3.41Å; N323-L325 PolarHBondContact OD1-N 2.64Å; N323-A326 HydrophobicContact CB-CB 4.27Å; N323-A326 VanDerWaalsContact O-CB 3.25Å; N323-A326 WeakPolarHBondContact O-CB 3.32Å; N323-A326 PolarHBondContact O-N 3.11Å; N323-K417 HydrophobicContact CB-CB 4.06Å; N323-K417 WeakPolarHBondContact OD1-CG 3.45Å | ||
| 324 | E | 98.2 | Very high | 97.9 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -8 | -177.8 | -60 | 87.4 | 169.2 | 0 | 0 | 113.6 | R307 I312 L313 R320 E322 K417 | R307-E324 HydrophobicContact CB-CB 4.34Å; R307-E324 WeakPolarHBondContact CD-O 3.43Å; R307-E324 HydrophobicContact CG-CB 4.29Å; R307-E324 PolarHBondContact NH1-O 3.49Å; I312-E324 WeakPolarHBondContact CA-OE1 3.35Å; I312-E324 WeakPolarHBondContact CB-OE1 3.3Å; L313-E324 HydrophobicContact CB-CG 4.17Å; L313-E324 HydrophobicContact CD1-CG 4.49Å; L313-E324 HydrophobicContact CG-CG 4.08Å; L313-E324 PolarHBondContact N-OE1 3.23Å; R320-E324 IonicContact CZ-OE1 3.47Å; R320-E324 IonicContact CZ-OE2 2.78Å; R320-E324 IonicContact NE-OE1 2.7Å; R320-E324 PolarHBondContact NE-OE1 2.71Å; R320-E324 IonicContact NE-OE2 3.66Å; R320-E324 IonicContact NH2-OE1 3.3Å; R320-E324 PolarHBondContact NH2-OE1 3.4Å; R320-E324 IonicContact NH2-OE2 3.9Å; R320-E324 PolarHBondContact NH2-OE2 2.98Å; E322-E324 PolarHBondContact O-N 3.29Å; E324-K417 IonicContact OE2-NZ 3.55Å |
| 325 | L | 97.5 | Very high | 97.9 | Very high | 15 Ų | 15 | 27.5 Ų | 27.5 | 8% | 0.079 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 12.4 | 172.8 | -61.5 | 179.5 | 0 | 0 | 0 | 113.5 | I138 A140 G141 R307 N323 V419 | I138-L325 HydrophobicContact CG2-CD1 4.39Å; A140-L325 CarbonylContact C-O 3.57Å; A140-L325 VanDerWaalsContact CA-O 3.31Å; A140-L325 WeakPolarHBondContact CA-O 3.3Å; A140-L325 HydrophobicContact CB-CD2 4.34Å; G141-L325 PolarHBondContact N-O 3.44Å; R307-L325 HydrophobicContact CB-CD2 4.21Å; N323-L325 PolarHBondContact O-N 3.41Å; N323-L325 PolarHBondContact OD1-N 2.64Å; L325-V419 HydrophobicContact CD1-CB 3.97Å; L325-V419 HydrophobicContact CD1-CG1 3.89Å |
| 326 | A | 97.3 | Very high | 97.8 | Very high | 17 Ų | 17 | 30.6 Ų | 30.6 | 14% | 0.14 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -63.5 | 169 | 165 | 0 | 0 | 0 | 0 | 0 | 111.3 | A140 E322 N323 T330 V331 | A140-A326 WeakPolarHBondContact CB-O 3.46Å; E322-A326 HydrophobicContact CG-CB 4.29Å; N323-A326 HydrophobicContact CB-CB 4.27Å; N323-A326 VanDerWaalsContact O-CB 3.25Å; N323-A326 WeakPolarHBondContact O-CB 3.32Å; N323-A326 PolarHBondContact O-N 3.11Å; A326-T330 HydrophobicContact CB-CG2 4.04Å; A326-V331 HydrophobicContact CB-CG2 3.94Å |
| 327 | Q | 96.1 | Very high | 97.8 | Very high | 32 Ų | 32 | 33 Ų | 33 | 15% | 0.15 | 19% | 0.188 | C | C | . | . | trans | -59.6 | 153.2 | 179.3 | -64.1 | -177.4 | 0.2 | 0 | 0 | 111.5 | K101 D329 T330 V331 | K101-Q327 VanDerWaalsContact C-NE2 3.32Å; K101-Q327 PolarHBondContact O-NE2 2.94Å; Q327-D329 VanDerWaalsContact C-N 3.31Å; Q327-D329 WeakPolarHBondContact CB-OD1 3.31Å; Q327-D329 PolarHBondContact O-N 2.92Å; Q327-T330 WeakPolarHBondContact O-CB 3.4Å; Q327-T330 PolarHBondContact O-N 3.21Å; Q327-T330 VanDerWaalsContact O-N 3.08Å; Q327-V331 WeakPolarHBondContact O-CG2 3.48Å; Q327-V331 PolarHBondContact O-N 3.36Å | ||
| 328 | R | 97.4 | Very high | 97.9 | Very high | 7 Ų | 7 | 35.9 Ų | 35.9 | 3% | 0.026 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.3 | -36.3 | -169.4 | -69.9 | 164.3 | 164.9 | 177.9 | -11.1 | 111.9 | Q282 H284 E304 T330 T332 D479 R480 | Q282-R328 VanDerWaalsContact CD-NH1 3.33Å; H284-R328 PolarHBondContact CD2-NE 3Å; H284-R328 PolarHBondContact CD2-NH2 3.44Å; E304-R328 IonicContact OE1-NE 2.57Å; E304-R328 IonicContact OE2-CZ 3.18Å; E304-R328 IonicContact OE2-NE 3.55Å; E304-R328 PolarHBondContact OE2-NE 3.04Å; E304-R328 IonicContact OE2-NH2 3.68Å; E304-R328 PolarHBondContact OE2-NH2 3.49Å; R328-T330 VanDerWaalsContact C-N 3.35Å; R328-T332 WeakPolarHBondContact O-CB 3.22Å; R328-T332 PolarHBondContact O-N 3.11Å; R328-T332 PolarHBondContact O-OG1 3.25Å; R328-D479 WeakPolarHBondContact CB-OD2 3.48Å; R328-R480 PolarHBondContact NH1-O 3.48Å |
| 329 | D | 96.3 | Very high | 97.9 | Very high | 33 Ų | 33 | 36.3 Ų | 36.3 | 18% | 0.176 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59 | -44.5 | 171.1 | 66 | -22.4 | 0 | 0 | 0 | 112 | Q104 Q327 T332 A333 Y478 D479 | Q104-D329 PolarHBondContact NE2-OD2 3.38Å; Q104-D329 VanDerWaalsContact NE2-OD2 3.1Å; Q327-D329 VanDerWaalsContact C-N 3.31Å; Q327-D329 WeakPolarHBondContact CB-OD1 3.31Å; Q327-D329 PolarHBondContact O-N 2.92Å; D329-T332 PolarHBondContact O-N 2.96Å; D329-A333 WeakPolarHBondContact O-CB 3.14Å; D329-A333 PolarHBondContact O-N 3.02Å; D329-Y478 HydrophobicContact CB-CE1 4.08Å; D329-Y478 WeakPolarHBondContact OD2-CE1 3.25Å; D329-D479 PolarHBondContact N-OD2 2.95Å |
| 330 | T | 97.5 | Very high | 97.9 | Very high | 54 Ų | 54 | 36.1 Ų | 36.1 | 33% | 0.331 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.3 | -51.5 | 178.6 | -55.6 | 0 | 0 | 0 | 0 | 110.6 | E322 A326 Q327 R328 T332 A333 A334 | E322-T330 HydrophobicContact CG-CG2 4.46Å; E322-T330 WeakPolarHBondContact OE2-CG2 3.17Å; A326-T330 HydrophobicContact CB-CG2 4.04Å; Q327-T330 WeakPolarHBondContact O-CB 3.4Å; Q327-T330 PolarHBondContact O-N 3.21Å; Q327-T330 VanDerWaalsContact O-N 3.08Å; R328-T330 VanDerWaalsContact C-N 3.35Å; T330-T332 VanDerWaalsContact C-N 3.3Å; T330-T332 PolarHBondContact O-N 3.08Å; T330-A333 PolarHBondContact O-N 2.96Å; T330-A334 WeakPolarHBondContact O-CB 3.43Å; T330-A334 PolarHBondContact O-N 3.43Å |
| 331 | V | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.3 | -36.9 | 178.6 | -176.4 | 0 | 0 | 0 | 0 | 111 | P285 L313 E322 A326 Q327 A334 I335 | P285-V331 HydrophobicContact CB-CB 3.93Å; P285-V331 HydrophobicContact CB-CG1 3.55Å; P285-V331 HydrophobicContact CG-CB 4.07Å; P285-V331 HydrophobicContact CG-CG1 3.93Å; L313-V331 HydrophobicContact CD1-CG1 3.68Å; E322-V331 HydrophobicContact CG-CG2 4.25Å; A326-V331 HydrophobicContact CB-CG2 3.94Å; Q327-V331 WeakPolarHBondContact O-CG2 3.48Å; Q327-V331 PolarHBondContact O-N 3.36Å; V331-A334 PolarHBondContact O-N 3.37Å; V331-I335 HydrophobicContact CG1-CD1 4.32Å; V331-I335 WeakPolarHBondContact O-CG1 3.16Å; V331-I335 PolarHBondContact O-N 2.87Å |
| 332 | T | 98.1 | Very high | 97.8 | Very high | 9 Ų | 9 | 44.2 Ų | 44.2 | 6% | 0.055 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.8 | -43.8 | 176.2 | -64.8 | 0 | 0 | 0 | 0 | 112 | L283 P285 R328 D329 T330 A334 I335 T336 P437 | L283-T332 HydrophobicContact CB-CG2 3.8Å; L283-T332 HydrophobicContact CD1-CG2 3.75Å; L283-T332 HydrophobicContact CG-CG2 4.44Å; L283-T332 PolarHBondContact O-OG1 3.09Å; P285-T332 WeakPolarHBondContact CA-OG1 3.42Å; R328-T332 WeakPolarHBondContact O-CB 3.22Å; R328-T332 PolarHBondContact O-N 3.11Å; R328-T332 PolarHBondContact O-OG1 3.25Å; D329-T332 PolarHBondContact O-N 2.96Å; T330-T332 VanDerWaalsContact C-N 3.3Å; T330-T332 PolarHBondContact O-N 3.08Å; T332-A334 VanDerWaalsContact C-N 3.31Å; T332-A334 PolarHBondContact O-N 2.93Å; T332-I335 PolarHBondContact O-N 3.4Å; T332-T336 PolarHBondContact O-N 3.37Å; T332-T336 PolarHBondContact O-OG1 2.88Å; T332-P437 HydrophobicContact CG2-CB 3.7Å; T332-P437 HydrophobicContact CG2-CG 3.84Å |
| 333 | A | 97.9 | Very high | 97.7 | Very high | 52 Ų | 52 | 47 Ų | 47 | 43% | 0.43 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.8 | -42 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | D329 T330 I335 T336 S337 | D329-A333 WeakPolarHBondContact O-CB 3.14Å; D329-A333 PolarHBondContact O-N 3.02Å; T330-A333 PolarHBondContact O-N 2.96Å; A333-I335 PolarHBondContact O-N 3.49Å; A333-T336 WeakPolarHBondContact O-CB 3.32Å; A333-T336 PolarHBondContact O-N 3.36Å; A333-T336 VanDerWaalsContact O-N 3.15Å; A333-S337 PolarHBondContact O-N 2.92Å; A333-S337 PolarHBondContact O-OG 2.96Å; A333-S337 VanDerWaalsContact O-OG 3.12Å |
| 334 | A | 98.7 | Very high | 97.6 | Very high | 5 Ų | 5 | 48.1 Ų | 48.1 | 4% | 0.041 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F321 E322 T330 V331 T332 T336 S337 F338 | F321-A334 HydrophobicContact CD2-CB 3.82Å; F321-A334 HydrophobicContact CE2-CB 4.03Å; E322-A334 HydrophobicContact CB-CB 3.81Å; E322-A334 HydrophobicContact CG-CB 4.02Å; T330-A334 WeakPolarHBondContact O-CB 3.43Å; T330-A334 PolarHBondContact O-N 3.43Å; V331-A334 PolarHBondContact O-N 3.37Å; T332-A334 VanDerWaalsContact C-N 3.31Å; T332-A334 PolarHBondContact O-N 2.93Å; A334-T336 VanDerWaalsContact C-N 3.3Å; A334-T336 PolarHBondContact O-N 2.87Å; A334-S337 PolarHBondContact O-N 3.5Å; A334-F338 HydrophobicContact CB-CD2 4.13Å; A334-F338 HydrophobicContact CB-CE2 4.44Å; A334-F338 WeakPolarHBondContact O-CB 3.48Å; A334-F338 VanDerWaalsContact O-CD2 3.26Å; A334-F338 WeakPolarHBondContact O-CD2 3.36Å; A334-F338 PolarHBondContact O-N 3.25Å |
| 335 | I | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 172.5 | -67.9 | 167.2 | 0 | 0 | 0 | 110.5 | P285 L313 F321 V331 T332 A333 S337 C339 A350 P437 | P285-I335 HydrophobicContact CB-CD1 3.69Å; P285-I335 WeakPolarHBondContact O-CD1 3.43Å; L313-I335 HydrophobicContact CD1-CD1 4.34Å; F321-I335 HydrophobicContact CE2-CG1 3.84Å; F321-I335 HydrophobicContact CZ-CG1 3.8Å; V331-I335 HydrophobicContact CG1-CD1 4.32Å; V331-I335 WeakPolarHBondContact O-CG1 3.16Å; V331-I335 PolarHBondContact O-N 2.87Å; T332-I335 PolarHBondContact O-N 3.4Å; A333-I335 PolarHBondContact O-N 3.49Å; I335-S337 VanDerWaalsContact C-N 3.32Å; I335-S337 PolarHBondContact O-N 3.48Å; I335-C339 HydrophobicContact CG2-CB 4.14Å; I335-C339 WeakPolarHBondContact O-CB 3.21Å; I335-C339 PolarHBondContact O-N 2.88Å; I335-A350 HydrophobicContact CD1-CB 4.39Å; I335-A350 HydrophobicContact CG1-CB 4.14Å; I335-A350 HydrophobicContact CG2-CB 4.39Å; I335-P437 HydrophobicContact CB-CG 4.26Å; I335-P437 HydrophobicContact CD1-CG 4.47Å; I335-P437 HydrophobicContact CG2-CG 3.99Å |
| 336 | T | 97.2 | Very high | 97.4 | Very high | 78 Ų | 78 | 53.5 Ų | 53.5 | 48% | 0.479 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 179.1 | -54.2 | 0 | 0 | 0 | 0 | 111.6 | T332 A333 A334 | T332-T336 PolarHBondContact O-N 3.37Å; T332-T336 PolarHBondContact O-OG1 2.88Å; A333-T336 WeakPolarHBondContact O-CB 3.32Å; A333-T336 PolarHBondContact O-N 3.36Å; A333-T336 VanDerWaalsContact O-N 3.15Å; A334-T336 VanDerWaalsContact C-N 3.3Å; A334-T336 PolarHBondContact O-N 2.87Å |
| 337 | S | 98.2 | Very high | 97.4 | Very high | 91 Ų | 91 | 53 Ų | 53 | 64% | 0.636 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -79.8 | -37.3 | -177 | -62.4 | 0 | 0 | 0 | 0 | 114.2 | A333 A334 I335 | A333-S337 PolarHBondContact O-N 2.92Å; A333-S337 PolarHBondContact O-OG 2.96Å; A333-S337 VanDerWaalsContact O-OG 3.12Å; A334-S337 PolarHBondContact O-N 3.5Å; I335-S337 VanDerWaalsContact C-N 3.32Å; I335-S337 PolarHBondContact O-N 3.48Å |
| 338 | F | 98.4 | Very high | 97.5 | Very high | 116 Ų | 116 | 52.1 Ų | 52.1 | 51% | 0.509 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -111.1 | -6.9 | -168.1 | -61 | -64.7 | 0 | 0 | 0 | 114.6 | N315 F321 A334 | N315-F338 VanDerWaalsContact CB-O 3.25Å; N315-F338 WeakPolarHBondContact CB-O 3.45Å; N315-F338 PolarHBondContact ND2-O 2.9Å; F321-F338 HydrophobicContact CB-CB 3.81Å; F321-F338 HydrophobicContact CB-CD2 3.91Å; F321-F338 HydrophobicContact CB-CG 3.95Å; F321-F338 HydrophobicContact CD2-CB 4.21Å; F321-F338 HydrophobicContact CD2-CD2 4.14Å; F321-F338 HydrophobicContact CG-CB 3.95Å; F321-F338 HydrophobicContact CG-CD2 4.36Å; F321-F338 HydrophobicContact CG-CG 4.48Å; A334-F338 HydrophobicContact CB-CD2 4.13Å; A334-F338 HydrophobicContact CB-CE2 4.44Å; A334-F338 WeakPolarHBondContact O-CB 3.48Å; A334-F338 VanDerWaalsContact O-CD2 3.26Å; A334-F338 WeakPolarHBondContact O-CD2 3.36Å; A334-F338 PolarHBondContact O-N 3.25Å |
| 339 | C | 98.6 | Very high | 97.5 | Very high | 9 Ų | 9 | 51.9 Ų | 51.9 | 6% | 0.061 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -112.2 | 145 | 178.1 | -57.2 | 0 | 0 | 0 | 0 | 111.8 | Q316 I335 V349 | Q316-C339 VanDerWaalsContact OE1-CA 3.28Å; I335-C339 HydrophobicContact CG2-CB 4.14Å; I335-C339 WeakPolarHBondContact O-CB 3.21Å; I335-C339 PolarHBondContact O-N 2.88Å; C339-V349 VanDerWaalsContact CB-O 3.31Å; C339-V349 WeakPolarHBondContact CB-O 3.41Å |
| 340 | K | 97.8 | Very high | 97.6 | Very high | 142 Ų | 142 | 50.3 Ų | 50.3 | 62% | 0.617 | 28% | 0.275 | S | S | * | . | trans | -68.9 | 140.4 | 178.1 | -60.5 | -171.7 | -175.8 | 175.2 | 0 | 110.9 | Q316 S348 V349 | Q316-K340 HydrophobicContact CB-CD 3.94Å; Q316-K340 HydrophobicContact CB-CG 4.03Å; Q316-K340 HydrophobicContact CG-CB 3.94Å; Q316-K340 HydrophobicContact CG-CD 3.83Å; Q316-K340 HydrophobicContact CG-CG 3.75Å; K340-S348 WeakPolarHBondContact O-CA 3.38Å; K340-V349 PolarHBondContact O-N 3.32Å; K340-V349 VanDerWaalsContact O-N 3.07Å | ||
| 341 | W | 97.8 | Very high | 97.7 | Very high | 160 Ų | 160 | 48.9 Ų | 48.9 | 61% | 0.606 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 128.7 | 166.5 | -175.5 | -92.3 | 0 | 0 | 0 | 110.4 | K346 G347 | W341-K346 WeakPolarHBondContact CH2-O 3.14Å; W341-K346 HydrophobicContact CZ2-CB 4.19Å; W341-K346 WeakPolarHBondContact CZ2-O 3.44Å; W341-G347 VanDerWaalsContact CE3-C 3.5Å; W341-G347 VanDerWaalsContact CZ3-CA 3.42Å |
| 342 | D | 97.1 | Very high | 97.7 | Very high | 42 Ų | 42 | 48.9 Ų | 48.9 | 23% | 0.225 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 115.5 | 172.1 | -173 | -41 | 0 | 0 | 0 | 109.7 | A344 V345 K346 G347 V349 R434 | D342-A344 VanDerWaalsContact C-N 3.26Å; D342-A344 PolarHBondContact O-N 3.34Å; D342-A344 WeakPolarHBondContact OD1-CA 3.38Å; D342-A344 VanDerWaalsContact OD1-CB 3.3Å; D342-A344 WeakPolarHBondContact OD1-CB 3.36Å; D342-A344 PolarHBondContact OD1-N 3.28Å; D342-V345 HydrophobicContact CB-CB 4.12Å; D342-V345 HydrophobicContact CB-CG2 4.01Å; D342-V345 PolarHBondContact O-N 3.09Å; D342-V345 PolarHBondContact OD1-N 3.45Å; D342-K346 PolarHBondContact O-N 3Å; D342-G347 PolarHBondContact N-O 3.3Å; D342-V349 HydrophobicContact CB-CB 4.49Å; D342-V349 HydrophobicContact CB-CG2 3.65Å; D342-R434 IonicContact OD2-CZ 3.65Å; D342-R434 IonicContact OD2-NH1 3.39Å; D342-R434 IonicContact OD2-NH2 3.96Å; D342-R434 PolarHBondContact OD2-NH2 3.2Å |
| 343 | P | 96.3 | Very high | 97.8 | Very high | 100 Ų | 100 | 48.5 Ų | 48.5 | 65% | 0.649 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -32.6 | 179.1 | -25.2 | 34.6 | 0 | 0 | 0 | 114.6 | V345 K346 | P343-V345 VanDerWaalsContact C-N 3.3Å; P343-K346 PolarHBondContact O-N 3.42Å |
| 344 | A | 96.2 | Very high | 97.8 | Very high | 48 Ų | 48 | 46 Ų | 46 | 40% | 0.397 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -27.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | P294 D295 D342 | P294-A344 CarbonylContact C-O 3.54Å; P294-A344 VanDerWaalsContact C-O 3.31Å; P294-A344 HydrophobicContact CB-CB 4.25Å; P294-A344 HydrophobicContact CG-CB 4.1Å; D295-A344 WeakPolarHBondContact CA-O 3.32Å; D295-A344 WeakPolarHBondContact CB-O 3.32Å; D295-A344 PolarHBondContact N-O 3.17Å; D342-A344 VanDerWaalsContact C-N 3.26Å; D342-A344 PolarHBondContact O-N 3.34Å; D342-A344 WeakPolarHBondContact OD1-CA 3.38Å; D342-A344 VanDerWaalsContact OD1-CB 3.3Å; D342-A344 WeakPolarHBondContact OD1-CB 3.36Å; D342-A344 PolarHBondContact OD1-N 3.28Å |
| 345 | V | 96.8 | Very high | 97.8 | Very high | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.03 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -24.6 | 175.8 | -175.9 | 0 | 0 | 0 | 0 | 112.1 | V289 P294 D342 P343 G347 V349 R434 T436 | V289-V345 HydrophobicContact CB-CG2 4.42Å; V289-V345 HydrophobicContact CG1-CG1 4.47Å; V289-V345 HydrophobicContact CG1-CG2 3.51Å; V289-V345 HydrophobicContact CG2-CG1 3.76Å; V289-V345 HydrophobicContact CG2-CG2 4.01Å; P294-V345 HydrophobicContact CB-CG2 4.13Å; P294-V345 WeakPolarHBondContact O-CA 3.41Å; D342-V345 HydrophobicContact CB-CB 4.12Å; D342-V345 HydrophobicContact CB-CG2 4.01Å; D342-V345 PolarHBondContact O-N 3.09Å; D342-V345 PolarHBondContact OD1-N 3.45Å; P343-V345 VanDerWaalsContact C-N 3.3Å; V345-G347 VanDerWaalsContact C-N 3.29Å; V345-V349 HydrophobicContact CB-CG2 3.96Å; V345-V349 HydrophobicContact CG1-CG2 4.05Å; V345-V349 HydrophobicContact CG2-CG2 3.78Å; V345-R434 VanDerWaalsContact CG2-NH2 3.29Å; V345-T436 HydrophobicContact CG1-CG2 3.81Å |
| 346 | K | 95 | Very high | 97.7 | Very high | 124 Ų | 124 | 48.9 Ų | 48.9 | 54% | 0.539 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 45.7 | -167.5 | -54.8 | 177.2 | -179 | 174.9 | 0 | 111 | W341 D342 P343 | W341-K346 WeakPolarHBondContact CH2-O 3.14Å; W341-K346 HydrophobicContact CZ2-CB 4.19Å; W341-K346 WeakPolarHBondContact CZ2-O 3.44Å; D342-K346 PolarHBondContact O-N 3Å; P343-K346 PolarHBondContact O-N 3.42Å |
| 347 | G | 96.4 | Very high | 97.7 | Very high | 6 Ų | 6 | 49.3 Ų | 49.3 | 6% | 0.062 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.3 | 159.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | W341 D342 V345 | W341-G347 VanDerWaalsContact CE3-C 3.5Å; W341-G347 VanDerWaalsContact CZ3-CA 3.42Å; D342-G347 PolarHBondContact N-O 3.3Å; V345-G347 VanDerWaalsContact C-N 3.29Å |
| 348 | S | 98.1 | Very high | 97.6 | Very high | 13 Ų | 13 | 45 Ų | 45 | 9% | 0.091 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 129.8 | 167.7 | -63.6 | 0 | 0 | 0 | 0 | 110.4 | K340 T436 P437 | K340-S348 WeakPolarHBondContact O-CA 3.38Å; S348-T436 PolarHBondContact O-OG1 2.96Å; S348-P437 WeakPolarHBondContact O-CD 3.26Å |
| 349 | V | 98.5 | Very high | 97.4 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | trans | -112 | 123.7 | -172.8 | 176.8 | 0 | 0 | 0 | 0 | 111 | Q316 C339 K340 D342 V345 R434 V435 | Q316-V349 PolarHBondContact NE2-O 2.86Å; C339-V349 VanDerWaalsContact CB-O 3.31Å; C339-V349 WeakPolarHBondContact CB-O 3.41Å; K340-V349 PolarHBondContact O-N 3.32Å; K340-V349 VanDerWaalsContact O-N 3.07Å; D342-V349 HydrophobicContact CB-CB 4.49Å; D342-V349 HydrophobicContact CB-CG2 3.65Å; V345-V349 HydrophobicContact CB-CG2 3.96Å; V345-V349 HydrophobicContact CG1-CG2 4.05Å; V345-V349 HydrophobicContact CG2-CG2 3.78Å; V349-R434 HydrophobicContact CG1-CB 3.92Å; V349-R434 HydrophobicContact CG1-CG 4.24Å; V349-V435 CarbonylContact C-O 3.6Å; V349-V435 WeakPolarHBondContact CA-O 3.4Å | ||
| 350 | A | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 164.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L313 F321 I335 V435 | L313-A350 HydrophobicContact CD2-CB 4.47Å; F321-A350 HydrophobicContact CE1-CB 4.32Å; F321-A350 HydrophobicContact CZ-CB 4.05Å; I335-A350 HydrophobicContact CD1-CB 4.39Å; I335-A350 HydrophobicContact CG1-CB 4.14Å; I335-A350 HydrophobicContact CG2-CB 4.39Å; A350-V435 HydrophobicContact CB-CG2 4.04Å; A350-V435 PolarHBondContact N-O 3.34Å; A350-V435 PolarHBondContact O-N 3.46Å |
| 351 | F | 98.8 | Very high | 96.8 | Very high | 23 Ų | 23 | 38 Ų | 38 | 10% | 0.101 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 117.5 | 172 | -62 | -88 | 0 | 0 | 0 | 109.6 | L313 L314 Q316 M390 V432 A433 R434 | L313-F351 CarbonylContact C-O 3.44Å; L313-F351 WeakPolarHBondContact CA-O 3.46Å; L314-F351 HydrophobicContact CB-CB 4.34Å; L314-F351 PolarHBondContact N-O 2.98Å; L314-F351 PolarHBondContact O-N 3.21Å; Q316-F351 HydrophobicContact CG-CE2 4.23Å; F351-M390 HydrophobicContact CB-CE 4.17Å; F351-M390 HydrophobicContact CB-SD 4.45Å; F351-M390 HydrophobicContact CD1-CG 4.33Å; F351-M390 HydrophobicContact CD2-CE 3.65Å; F351-M390 HydrophobicContact CE1-CG 4.45Å; F351-M390 HydrophobicContact CE2-CE 4.18Å; F351-M390 HydrophobicContact CG-CE 3.95Å; F351-M390 HydrophobicContact CG-CG 4.43Å; F351-M390 HydrophobicContact CG-SD 4.41Å; F351-V432 HydrophobicContact CB-CG2 4Å; F351-V432 HydrophobicContact CD1-CG2 3.92Å; F351-V432 HydrophobicContact CG-CG2 4.41Å; F351-A433 CarbonylContact C-O 3.5Å; F351-A433 WeakPolarHBondContact CA-O 3.34Å; F351-R434 HydrophobicContact CD1-CG 4.03Å; F351-R434 HydrophobicContact CE1-CG 3.84Å |
| 352 | L | 98.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 116.9 | 171.3 | 174.7 | 62.3 | 0 | 0 | 0 | 109.2 | A302 L306 R307 I312 L313 V354 F377 V432 A433 V435 | A302-L352 HydrophobicContact CB-CD2 4.24Å; L306-L352 HydrophobicContact CB-CD2 4.18Å; L306-L352 HydrophobicContact CD1-CD2 3.85Å; R307-L352 HydrophobicContact CG-CD1 4.36Å; I312-L352 WeakPolarHBondContact O-CA 3.32Å; L313-L352 HydrophobicContact CD2-CB 4.02Å; L313-L352 HydrophobicContact CD2-CD1 3.99Å; L352-V354 HydrophobicContact CD1-CG1 4.34Å; L352-V354 HydrophobicContact CG-CG1 4.33Å; L352-F377 HydrophobicContact CD2-CZ 4.13Å; L352-V432 WeakPolarHBondContact O-CA 3.21Å; L352-A433 PolarHBondContact N-O 3.45Å; L352-A433 PolarHBondContact O-N 2.88Å; L352-V435 HydrophobicContact CB-CG1 3.96Å; L352-V435 HydrophobicContact CB-CG2 4.18Å; L352-V435 HydrophobicContact CD2-CG1 4.33Å |
| 353 | V | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 130.7 | 179 | -176.7 | 0 | 0 | 0 | 0 | 110.1 | G311 I312 L314 L386 F424 L430 Y431 V432 | G311-V353 WeakPolarHBondContact CA-O 3.38Å; I312-V353 HydrophobicContact CG1-CB 3.93Å; I312-V353 PolarHBondContact N-O 3.32Å; I312-V353 PolarHBondContact O-N 2.82Å; L314-V353 HydrophobicContact CD1-CG2 3.72Å; L314-V353 HydrophobicContact CG-CG2 4.07Å; V353-L386 HydrophobicContact CG1-CD2 4.06Å; V353-L386 HydrophobicContact CG2-CD1 4.3Å; V353-L386 HydrophobicContact CG2-CD2 4.21Å; V353-F424 HydrophobicContact CG1-CE1 4.38Å; V353-L430 HydrophobicContact CG1-CB 4.33Å; V353-L430 HydrophobicContact CG1-CD1 4.46Å; V353-Y431 WeakPolarHBondContact CA-O 3.38Å; V353-V432 HydrophobicContact CG2-CB 4.46Å; V353-V432 HydrophobicContact CG2-CG2 4.21Å |
| 354 | V | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 158.2 | 176.6 | -56.2 | 0 | 0 | 0 | 0 | 110.4 | L306 L352 I358 F367 F377 Y431 | L306-V354 HydrophobicContact CD2-CG1 4.23Å; L352-V354 HydrophobicContact CD1-CG1 4.34Å; L352-V354 HydrophobicContact CG-CG1 4.33Å; V354-I358 HydrophobicContact CB-CB 4.04Å; V354-I358 HydrophobicContact CB-CD1 3.85Å; V354-I358 HydrophobicContact CB-CG2 3.9Å; V354-I358 HydrophobicContact CG1-CD1 4.15Å; V354-I358 HydrophobicContact CG1-CG2 3.91Å; V354-F367 HydrophobicContact CG2-CE2 3.64Å; V354-F367 HydrophobicContact CG2-CZ 3.79Å; V354-F377 HydrophobicContact CG2-CD1 4.36Å; V354-F377 HydrophobicContact CG2-CE1 3.79Å; V354-F377 HydrophobicContact CG2-CZ 4.2Å; V354-Y431 HydrophobicContact CG2-CD2 4.23Å; V354-Y431 HydrophobicContact CG2-CG 4.42Å; V354-Y431 PolarHBondContact N-O 2.85Å; V354-Y431 PolarHBondContact O-N 3.45Å |
| 355 | N | 98.2 | Very high | 95.5 | Very high | 3 Ų | 3 | 26.7 Ų | 26.7 | 2% | 0.016 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | -176.4 | 176 | 71.5 | -0.8 | 0 | 0 | 0 | 112 | E357 I358 A359 T423 F424 E428 L430 | N355-E357 VanDerWaalsContact C-N 3.29Å; N355-E357 PolarHBondContact O-N 3.12Å; N355-E357 PolarHBondContact OD1-N 3.35Å; N355-I358 PolarHBondContact O-N 3.25Å; N355-I358 WeakPolarHBondContact OD1-CG1 3.31Å; N355-I358 PolarHBondContact OD1-N 2.83Å; N355-I358 VanDerWaalsContact OD1-N 3.09Å; N355-A359 PolarHBondContact O-N 3.04Å; N355-T423 PolarHBondContact ND2-O 3.19Å; N355-F424 HydrophobicContact CB-CD1 4.14Å; N355-F424 HydrophobicContact CB-CE1 4.08Å; N355-E428 WeakPolarHBondContact CB-OE2 3.25Å; N355-E428 PolarHBondContact ND2-OE1 2.91Å; N355-E428 PolarHBondContact ND2-OE2 2.95Å; N355-L430 HydrophobicContact CB-CD2 3.99Å |
| 356 | N | 97.1 | Very high | 95.1 | Very high | 63 Ų | 63 | 27.6 Ų | 27.6 | 34% | 0.337 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -61.9 | -33.3 | -179.7 | -77.7 | -37.1 | 0 | 0 | 0 | 113.5 | A359 S360 Y431 | N356-A359 PolarHBondContact O-N 3.26Å; N356-S360 WeakPolarHBondContact O-CB 3.4Å; N356-S360 PolarHBondContact O-N 3.38Å; N356-Y431 VanDerWaalsContact OD1-CE2 3.24Å; N356-Y431 WeakPolarHBondContact OD1-CE2 3.42Å; N356-Y431 PolarHBondContact OD1-OH 3.25Å |
| 357 | E | 96.8 | Very high | 95.1 | Very high | 87 Ų | 87 | 21.7 Ų | 21.7 | 41% | 0.407 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -67.5 | -43 | 178.8 | -168.3 | -178.4 | 165.9 | 0 | 0 | 111.3 | N355 S360 K361 V422 | N355-E357 VanDerWaalsContact C-N 3.29Å; N355-E357 PolarHBondContact O-N 3.12Å; N355-E357 PolarHBondContact OD1-N 3.35Å; E357-S360 WeakPolarHBondContact O-CB 3.4Å; E357-S360 PolarHBondContact O-N 3.46Å; E357-K361 HydrophobicContact CG-CD 4.36Å; E357-K361 WeakPolarHBondContact O-CG 3.35Å; E357-K361 PolarHBondContact O-N 2.92Å; E357-K361 WeakPolarHBondContact OE1-CE 3.07Å; E357-K361 IonicContact OE1-NZ 2.76Å; E357-K361 PolarHBondContact OE1-NZ 2.98Å; E357-V422 HydrophobicContact CB-CG1 4.07Å; E357-V422 HydrophobicContact CG-CG1 3.92Å |
| 358 | I | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.2 | -45.6 | 174.4 | -64.4 | 161.4 | 0 | 0 | 0 | 110.9 | L306 F309 V354 N355 S360 K361 I362 V422 F424 | L306-I358 HydrophobicContact CD2-CG2 4.28Å; F309-I358 HydrophobicContact CB-CG2 4.15Å; F309-I358 WeakPolarHBondContact O-CG1 3.43Å; V354-I358 HydrophobicContact CB-CB 4.04Å; V354-I358 HydrophobicContact CB-CD1 3.85Å; V354-I358 HydrophobicContact CB-CG2 3.9Å; V354-I358 HydrophobicContact CG1-CD1 4.15Å; V354-I358 HydrophobicContact CG1-CG2 3.91Å; N355-I358 PolarHBondContact O-N 3.25Å; N355-I358 WeakPolarHBondContact OD1-CG1 3.31Å; N355-I358 PolarHBondContact OD1-N 2.83Å; N355-I358 VanDerWaalsContact OD1-N 3.09Å; I358-S360 PolarHBondContact O-N 3.45Å; I358-K361 PolarHBondContact O-N 2.74Å; I358-I362 HydrophobicContact CG2-CG1 4.34Å; I358-I362 WeakPolarHBondContact O-CG1 3.49Å; I358-I362 PolarHBondContact O-N 3.28Å; I358-V422 HydrophobicContact CD1-CG2 3.78Å; I358-V422 HydrophobicContact CG1-CG1 4Å; I358-V422 HydrophobicContact CG1-CG2 3.93Å; I358-F424 HydrophobicContact CD1-CE1 4.28Å; I358-F424 HydrophobicContact CD1-CZ 3.83Å |
| 359 | A | 94.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -55.5 | -42.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | N355 N356 G363 F367 | N355-A359 PolarHBondContact O-N 3.04Å; N356-A359 PolarHBondContact O-N 3.26Å; A359-G363 CarbonylContact O-C 3.59Å; A359-G363 PolarHBondContact O-N 3.41Å; A359-F367 HydrophobicContact CB-CB 4.17Å; A359-F367 HydrophobicContact CB-CD1 3.36Å; A359-F367 HydrophobicContact CB-CD2 4Å; A359-F367 HydrophobicContact CB-CE1 3.65Å; A359-F367 HydrophobicContact CB-CE2 4.28Å; A359-F367 HydrophobicContact CB-CG 3.53Å; A359-F367 HydrophobicContact CB-CZ 4.11Å |
| 360 | S | 92.7 | Very high | 94.5 | Very high | 63 Ų | 63 | 28.4 Ų | 28.4 | 44% | 0.441 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -65.4 | -47.4 | 175.1 | -170.7 | 0 | 0 | 0 | 0 | 112.5 | N356 E357 I358 I362 G363 | N356-S360 WeakPolarHBondContact O-CB 3.4Å; N356-S360 PolarHBondContact O-N 3.38Å; E357-S360 WeakPolarHBondContact O-CB 3.4Å; E357-S360 PolarHBondContact O-N 3.46Å; I358-S360 PolarHBondContact O-N 3.45Å; S360-I362 PolarHBondContact O-N 3.32Å; S360-G363 WeakPolarHBondContact O-CA 3.49Å; S360-G363 PolarHBondContact O-N 3.48Å |
| 361 | K | 91.9 | Very high | 94.4 | Very high | 57 Ų | 57 | 30.4 Ų | 30.4 | 25% | 0.248 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63 | -38 | -179.8 | -75 | 174 | 179.6 | 167.4 | 0 | 113.4 | Q135 F309 E357 I358 G363 P421 | Q135-K361 PolarHBondContact NE2-O 2.74Å; F309-K361 HydrophobicContact CB-CB 4.24Å; F309-K361 HydrophobicContact CB-CD 4.32Å; F309-K361 HydrophobicContact CD1-CB 3.82Å; F309-K361 HydrophobicContact CD1-CD 3.93Å; F309-K361 HydrophobicContact CD1-CG 4.36Å; F309-K361 HydrophobicContact CD2-CB 3.96Å; F309-K361 HydrophobicContact CE1-CB 4.1Å; F309-K361 HydrophobicContact CE2-CB 4.24Å; F309-K361 HydrophobicContact CG-CB 3.75Å; F309-K361 HydrophobicContact CG-CD 4.3Å; F309-K361 HydrophobicContact CZ-CB 4.3Å; E357-K361 HydrophobicContact CG-CD 4.36Å; E357-K361 WeakPolarHBondContact O-CG 3.35Å; E357-K361 PolarHBondContact O-N 2.92Å; E357-K361 WeakPolarHBondContact OE1-CE 3.07Å; E357-K361 IonicContact OE1-NZ 2.76Å; E357-K361 PolarHBondContact OE1-NZ 2.98Å; I358-K361 PolarHBondContact O-N 2.74Å; K361-G363 PolarHBondContact O-N 2.84Å; K361-P421 PolarHBondContact NZ-O 3.38Å |
| 362 | I | 91.1 | Very high | 94.2 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.2 | -28.8 | 172.4 | -72.8 | -73.8 | 0 | 0 | 0 | 112 | A305 L306 F309 I358 S360 T366 F367 | A305-I362 HydrophobicContact CB-CD1 3.65Å; L306-I362 HydrophobicContact CD2-CD1 4.03Å; L306-I362 HydrophobicContact CD2-CG1 3.76Å; L306-I362 HydrophobicContact CG-CD1 4.07Å; L306-I362 HydrophobicContact CG-CG1 4.37Å; F309-I362 HydrophobicContact CD2-CD1 3.56Å; F309-I362 HydrophobicContact CD2-CG1 3.81Å; F309-I362 HydrophobicContact CE2-CD1 3.87Å; F309-I362 HydrophobicContact CE2-CG1 4.3Å; I358-I362 HydrophobicContact CG2-CG1 4.34Å; I358-I362 WeakPolarHBondContact O-CG1 3.49Å; I358-I362 PolarHBondContact O-N 3.28Å; S360-I362 PolarHBondContact O-N 3.32Å; I362-T366 HydrophobicContact CG2-CG2 3.81Å; I362-F367 HydrophobicContact CG2-CB 4.49Å |
| 363 | G | 89.1 | Confident | 93.9 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | 104.2 | 116.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | P152 A359 S360 K361 P365 T366 F367 | P152-G363 VanDerWaalsContact CG-CA 3.48Å; A359-G363 CarbonylContact O-C 3.59Å; A359-G363 PolarHBondContact O-N 3.41Å; S360-G363 WeakPolarHBondContact O-CA 3.49Å; S360-G363 PolarHBondContact O-N 3.48Å; K361-G363 PolarHBondContact O-N 2.84Å; G363-P365 VanDerWaalsContact C-CD 3.42Å; G363-P365 VanDerWaalsContact C-N 3.28Å; G363-P365 VanDerWaalsContact O-N 3.16Å; G363-T366 WeakPolarHBondContact O-CA 3.46Å; G363-T366 WeakPolarHBondContact O-CB 3.49Å; G363-T366 PolarHBondContact O-N 3.29Å; G363-F367 PolarHBondContact O-N 2.79Å | ||
| 364 | Q | 88.8 | Confident | 93.7 | Very high | 81 Ų | 81 | 40.5 Ų | 40.5 | 38% | 0.379 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -51.1 | -40 | -176.9 | -72.1 | -66.5 | 16 | 0 | 0 | 114.3 | T366 F367 T368 | Q364-T366 PolarHBondContact O-N 3.06Å; Q364-F367 PolarHBondContact O-N 3.04Å; Q364-T368 WeakPolarHBondContact O-CB 3.48Å; Q364-T368 PolarHBondContact O-N 3.23Å; Q364-T368 PolarHBondContact O-OG1 2.76Å |
| 365 | P | 89.3 | Confident | 93.6 | Very high | 27 Ų | 27 | 45.1 Ų | 45.1 | 18% | 0.175 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.8 | -47.2 | 173.5 | -32.5 | 42.3 | 0 | 0 | 0 | 114.2 | G156 A158 G363 T368 Y369 | G156-P365 WeakPolarHBondContact O-CB 3.23Å; G156-P365 WeakPolarHBondContact O-CG 3.31Å; A158-P365 HydrophobicContact CB-CB 4.11Å; G363-P365 VanDerWaalsContact C-CD 3.42Å; G363-P365 VanDerWaalsContact C-N 3.28Å; G363-P365 VanDerWaalsContact O-N 3.16Å; P365-T368 PolarHBondContact O-N 2.88Å; P365-Y369 WeakPolarHBondContact O-CB 3.49Å; P365-Y369 PolarHBondContact O-N 3.43Å |
| 366 | T | 90.2 | Very high | 93.6 | Very high | 24 Ų | 24 | 45.3 Ų | 45.3 | 15% | 0.147 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.5 | -42.9 | -179.7 | -59.9 | 0 | 0 | 0 | 0 | 110.2 | I362 G363 Q364 Y369 Y370 | I362-T366 HydrophobicContact CG2-CG2 3.81Å; G363-T366 WeakPolarHBondContact O-CA 3.46Å; G363-T366 WeakPolarHBondContact O-CB 3.49Å; G363-T366 PolarHBondContact O-N 3.29Å; Q364-T366 PolarHBondContact O-N 3.06Å; T366-Y369 WeakPolarHBondContact O-CB 3.44Å; T366-Y369 PolarHBondContact O-N 3.13Å; T366-Y370 HydrophobicContact CG2-CD2 4.34Å; T366-Y370 HydrophobicContact CG2-CE2 3.59Å; T366-Y370 VanDerWaalsContact O-CD2 3.23Å; T366-Y370 WeakPolarHBondContact O-CD2 3.46Å; T366-Y370 PolarHBondContact O-N 3.5Å |
| 367 | F | 93.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.4 | -45.1 | 176.9 | -171.1 | -101.6 | 0 | 0 | 0 | 112.1 | L306 V354 A359 I362 G363 Q364 Y369 Y370 W371 F377 Y431 | L306-F367 HydrophobicContact CD2-CD2 4.43Å; V354-F367 HydrophobicContact CG2-CE2 3.64Å; V354-F367 HydrophobicContact CG2-CZ 3.79Å; A359-F367 HydrophobicContact CB-CB 4.17Å; A359-F367 HydrophobicContact CB-CD1 3.36Å; A359-F367 HydrophobicContact CB-CD2 4Å; A359-F367 HydrophobicContact CB-CE1 3.65Å; A359-F367 HydrophobicContact CB-CE2 4.28Å; A359-F367 HydrophobicContact CB-CG 3.53Å; A359-F367 HydrophobicContact CB-CZ 4.11Å; I362-F367 HydrophobicContact CG2-CB 4.49Å; G363-F367 PolarHBondContact O-N 2.79Å; Q364-F367 PolarHBondContact O-N 3.04Å; F367-Y369 PolarHBondContact O-N 3.31Å; F367-Y370 PolarHBondContact O-N 2.85Å; F367-W371 HydrophobicContact CD1-CB 4.48Å; F367-W371 HydrophobicContact CE1-CB 4.19Å; F367-W371 HydrophobicContact CE1-CE3 4.28Å; F367-W371 WeakPolarHBondContact O-CB 3.37Å; F367-W371 PolarHBondContact O-N 2.84Å; F367-F377 HydrophobicContact CD2-CE2 4.45Å; F367-F377 AromaticContact CE2-CD2 3.9Å; F367-F377 HydrophobicContact CE2-CD2 3.9Å; F367-F377 HydrophobicContact CE2-CE1 4.4Å; F367-F377 AromaticContact CE2-CE2 3.73Å; F367-F377 HydrophobicContact CE2-CE2 3.73Å; F367-F377 HydrophobicContact CE2-CG 4.3Å; F367-F377 HydrophobicContact CE2-CZ 4.01Å; F367-F377 HydrophobicContact CZ-CD1 4.46Å; F367-F377 HydrophobicContact CZ-CD2 4.17Å; F367-F377 HydrophobicContact CZ-CE2 4.42Å; F367-F377 HydrophobicContact CZ-CG 4.19Å; F367-Y431 AromaticContact CE1-CD1 3.76Å; F367-Y431 HydrophobicContact CE1-CD1 3.76Å; F367-Y431 AromaticContact CE1-CD2 3.94Å; F367-Y431 HydrophobicContact CE1-CD2 3.94Å; F367-Y431 AromaticContact CE1-CE1 3.86Å; F367-Y431 HydrophobicContact CE1-CE1 3.86Å; F367-Y431 HydrophobicContact CE1-CE2 4.04Å; F367-Y431 AromaticContact CE1-CG 3.8Å; F367-Y431 HydrophobicContact CE1-CG 3.8Å; F367-Y431 AromaticContact CZ-CD1 3.87Å; F367-Y431 HydrophobicContact CZ-CD1 3.87Å; F367-Y431 AromaticContact CZ-CD2 3.77Å; F367-Y431 HydrophobicContact CZ-CD2 3.77Å; F367-Y431 HydrophobicContact CZ-CE1 4.42Å; F367-Y431 HydrophobicContact CZ-CE2 4.34Å; F367-Y431 AromaticContact CZ-CG 3.52Å; F367-Y431 HydrophobicContact CZ-CG 3.52Å |
| 368 | T | 93.2 | Very high | 93.8 | Very high | 56 Ų | 56 | 43.9 Ų | 43.9 | 34% | 0.344 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.1 | -36.1 | 175.3 | -61 | 0 | 0 | 0 | 0 | 111.5 | Q364 P365 W371 K372 V373 | Q364-T368 WeakPolarHBondContact O-CB 3.48Å; Q364-T368 PolarHBondContact O-N 3.23Å; Q364-T368 PolarHBondContact O-OG1 2.76Å; P365-T368 PolarHBondContact O-N 2.88Å; T368-W371 PolarHBondContact O-N 2.67Å; T368-K372 HydrophobicContact CG2-CB 4.02Å; T368-K372 HydrophobicContact CG2-CG 4.06Å; T368-K372 WeakPolarHBondContact O-CA 3.16Å; T368-K372 WeakPolarHBondContact O-CB 3.27Å; T368-K372 PolarHBondContact O-N 2.85Å; T368-V373 PolarHBondContact O-N 3.33Å |
| 369 | Y | 92.2 | Very high | 93.8 | Very high | 90 Ų | 90 | 46.7 Ų | 46.7 | 35% | 0.353 | 23% | 0.23 | S | C | . | . | I | π-helix | trans | -60.9 | -47.2 | 172.5 | 177.4 | -100.2 | 0 | 0 | 0 | 111.8 | P365 T366 F367 V373 K374 | P365-Y369 WeakPolarHBondContact O-CB 3.49Å; P365-Y369 PolarHBondContact O-N 3.43Å; T366-Y369 WeakPolarHBondContact O-CB 3.44Å; T366-Y369 PolarHBondContact O-N 3.13Å; F367-Y369 PolarHBondContact O-N 3.31Å; Y369-V373 HydrophobicContact CD2-CB 3.83Å; Y369-V373 HydrophobicContact CD2-CG1 3.87Å; Y369-V373 HydrophobicContact CD2-CG2 4.17Å; Y369-V373 HydrophobicContact CE2-CB 4.28Å; Y369-V373 HydrophobicContact CE2-CG1 3.85Å; Y369-V373 HydrophobicContact CG-CB 4.5Å; Y369-V373 WeakPolarHBondContact O-CB 3.35Å; Y369-V373 PolarHBondContact O-N 3.36Å; Y369-K374 HydrophobicContact CD1-CG 4.11Å; Y369-K374 HydrophobicContact CE1-CD 4.25Å; Y369-K374 HydrophobicContact CE1-CG 3.63Å; Y369-K374 HydrophobicContact CE2-CD 4.44Å; Y369-K374 HydrophobicContact CE2-CG 4.25Å; Y369-K374 WeakPolarHBondContact O-CB 3.14Å; Y369-K374 PolarHBondContact O-N 2.71Å |
| 370 | Y | 95 | Very high | 94 | Very high | 18 Ų | 18 | 47.3 Ų | 47.3 | 7% | 0.071 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -66.9 | -38.2 | 176.6 | -59.7 | -47.8 | 0 | 0 | 0 | 113 | F288 P303 T366 F367 H375 F376 | F288-Y370 AromaticContact CE2-CD1 3.9Å; F288-Y370 HydrophobicContact CE2-CD1 3.9Å; F288-Y370 HydrophobicContact CE2-CE1 4.26Å; F288-Y370 HydrophobicContact CE2-CG 4.08Å; F288-Y370 HydrophobicContact CZ-CG 4.32Å; P303-Y370 HydrophobicContact CG-CE2 3.81Å; P303-Y370 VanDerWaalsContact CG-OH 3.27Å; P303-Y370 WeakPolarHBondContact CG-OH 3.26Å; T366-Y370 HydrophobicContact CG2-CD2 4.34Å; T366-Y370 HydrophobicContact CG2-CE2 3.59Å; T366-Y370 VanDerWaalsContact O-CD2 3.23Å; T366-Y370 WeakPolarHBondContact O-CD2 3.46Å; T366-Y370 PolarHBondContact O-N 3.5Å; F367-Y370 PolarHBondContact O-N 2.85Å; Y370-H375 PolarHBondContact O-N 3.22Å; Y370-F376 HydrophobicContact CD1-CD2 4.07Å; Y370-F376 HydrophobicContact CD1-CE2 4.31Å; Y370-F376 PolarHBondContact O-N 2.94Å |
| 371 | W | 96.3 | Very high | 94.3 | Very high | 42 Ų | 42 | 47.2 Ų | 47.2 | 16% | 0.159 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | -81 | -57.5 | -176.1 | 174.6 | 32.7 | 0 | 0 | 0 | 113.5 | F367 T368 H375 F377 D379 Y431 | F367-W371 HydrophobicContact CD1-CB 4.48Å; F367-W371 HydrophobicContact CE1-CB 4.19Å; F367-W371 HydrophobicContact CE1-CE3 4.28Å; F367-W371 WeakPolarHBondContact O-CB 3.37Å; F367-W371 PolarHBondContact O-N 2.84Å; T368-W371 PolarHBondContact O-N 2.67Å; W371-H375 VanDerWaalsContact O-CA 3.23Å; W371-H375 WeakPolarHBondContact O-CA 3.37Å; W371-H375 PolarHBondContact O-N 2.96Å; W371-F377 HydrophobicContact CB-CB 4.12Å; W371-F377 VanDerWaalsContact CD1-O 3.31Å; W371-F377 HydrophobicContact CG-CB 4.28Å; W371-D379 HydrophobicContact CZ2-CB 3.63Å; W371-D379 VanDerWaalsContact CZ2-CG 3.44Å; W371-D379 PolarHBondContact NE1-OD1 2.81Å; W371-Y431 HydrophobicContact CD2-CD1 4.09Å; W371-Y431 AromaticContact CD2-CE1 3.81Å; W371-Y431 HydrophobicContact CD2-CE1 3.81Å; W371-Y431 AromaticContact CE2-CD1 3.98Å; W371-Y431 AromaticContact CE2-CE1 3.68Å; W371-Y431 AromaticContact CE3-CE1 3.87Å; W371-Y431 HydrophobicContact CE3-CE1 3.87Å; W371-Y431 HydrophobicContact CG-CD1 4.39Å; W371-Y431 AromaticContact CH2-CE1 3.69Å; W371-Y431 HydrophobicContact CH2-CE1 3.69Å; W371-Y431 HydrophobicContact CZ2-CD1 4.31Å; W371-Y431 AromaticContact CZ2-CE1 3.63Å; W371-Y431 HydrophobicContact CZ2-CE1 3.63Å; W371-Y431 AromaticContact CZ3-CE1 3.82Å; W371-Y431 HydrophobicContact CZ3-CE1 3.82Å |
| 372 | K | 94.7 | Very high | 94.6 | Very high | 96 Ų | 96 | 46.5 Ų | 46.5 | 42% | 0.417 | 24% | 0.236 | S | C | . | . | I | π-helix | trans | -94.6 | -28.7 | -170.7 | -63.3 | -59.6 | -164.3 | -170.6 | 0 | 113.9 | T368 H375 | T368-K372 HydrophobicContact CG2-CB 4.02Å; T368-K372 HydrophobicContact CG2-CG 4.06Å; T368-K372 WeakPolarHBondContact O-CA 3.16Å; T368-K372 WeakPolarHBondContact O-CB 3.27Å; T368-K372 PolarHBondContact O-N 2.85Å; K372-H375 PolarHBondContact O-CE1 2.82Å; K372-H375 PolarHBondContact O-ND1 3.03Å; K372-H375 PolarHBondContact O-NE2 2.7Å |
| 373 | V | 93.8 | Very high | 94.9 | Very high | 89 Ų | 89 | 46.3 Ų | 46.3 | 54% | 0.539 | 24% | 0.235 | S | C | . | . | I | π-helix | trans | -92.4 | -47.1 | -179.6 | -178.3 | 0 | 0 | 0 | 0 | 111.1 | T368 Y369 | T368-V373 PolarHBondContact O-N 3.33Å; Y369-V373 HydrophobicContact CD2-CB 3.83Å; Y369-V373 HydrophobicContact CD2-CG1 3.87Å; Y369-V373 HydrophobicContact CD2-CG2 4.17Å; Y369-V373 HydrophobicContact CE2-CB 4.28Å; Y369-V373 HydrophobicContact CE2-CG1 3.85Å; Y369-V373 HydrophobicContact CG-CB 4.5Å; Y369-V373 WeakPolarHBondContact O-CB 3.35Å; Y369-V373 PolarHBondContact O-N 3.36Å |
| 374 | K | 94.6 | Very high | 95.3 | Very high | 50 Ų | 50 | 47.8 Ų | 47.8 | 22% | 0.217 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -91.6 | -14.1 | -179.8 | -65.7 | -58.4 | -59.9 | 170.2 | 0 | 114 | F300 Y369 F376 | F300-K374 HydrophobicContact CZ-CD 4.46Å; Y369-K374 HydrophobicContact CD1-CG 4.11Å; Y369-K374 HydrophobicContact CE1-CD 4.25Å; Y369-K374 HydrophobicContact CE1-CG 3.63Å; Y369-K374 HydrophobicContact CE2-CD 4.44Å; Y369-K374 HydrophobicContact CE2-CG 4.25Å; Y369-K374 WeakPolarHBondContact O-CB 3.14Å; Y369-K374 PolarHBondContact O-N 2.71Å; K374-F376 HydrophobicContact CB-CD1 4.12Å; K374-F376 HydrophobicContact CB-CD2 3.61Å; K374-F376 HydrophobicContact CB-CE1 3.98Å; K374-F376 HydrophobicContact CB-CE2 3.47Å; K374-F376 VanDerWaalsContact CB-CE2 3.47Å; K374-F376 HydrophobicContact CB-CG 3.94Å; K374-F376 HydrophobicContact CB-CZ 3.68Å; K374-F376 HydrophobicContact CD-CZ 4.34Å; K374-F376 HydrophobicContact CG-CD2 4.36Å; K374-F376 HydrophobicContact CG-CE2 3.82Å; K374-F376 HydrophobicContact CG-CZ 4.07Å; K374-F376 WeakPolarHBondContact O-CD1 3.21Å; K374-F376 PolarHBondContact O-N 2.91Å |
| 375 | H | 96.7 | Very high | 95.8 | Very high | 98 Ų | 98 | 48.2 Ų | 48.2 | 45% | 0.454 | 25% | 0.248 | S | C | . | . | trans | 55.6 | 29.6 | 179.7 | -53 | -69.3 | 0 | 0 | 0 | 114.3 | Y370 W371 K372 | Y370-H375 PolarHBondContact O-N 3.22Å; W371-H375 VanDerWaalsContact O-CA 3.23Å; W371-H375 WeakPolarHBondContact O-CA 3.37Å; W371-H375 PolarHBondContact O-N 2.96Å; K372-H375 PolarHBondContact O-CE1 2.82Å; K372-H375 PolarHBondContact O-ND1 3.03Å; K372-H375 PolarHBondContact O-NE2 2.7Å | ||
| 376 | F | 98.1 | Very high | 96.2 | Very high | 7 Ų | 7 | 46.9 Ų | 46.9 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | trans | -75.2 | -30.5 | 176.7 | -61.8 | -31.3 | 0 | 0 | 0 | 112.4 | F288 D290 F300 Y370 K374 A433 | F288-F376 HydrophobicContact CB-CB 4.26Å; F288-F376 HydrophobicContact CB-CD1 4.01Å; F288-F376 HydrophobicContact CB-CD2 3.86Å; F288-F376 HydrophobicContact CB-CE1 4.28Å; F288-F376 HydrophobicContact CB-CE2 4.13Å; F288-F376 HydrophobicContact CB-CG 3.79Å; F288-F376 HydrophobicContact CB-CZ 4.32Å; F288-F376 HydrophobicContact CD1-CB 3.66Å; F288-F376 HydrophobicContact CD1-CD2 4.17Å; F288-F376 HydrophobicContact CD1-CG 4.06Å; F288-F376 HydrophobicContact CD2-CB 4.34Å; F288-F376 AromaticContact CD2-CD2 3.28Å; F288-F376 HydrophobicContact CD2-CD2 3.28Å; F288-F376 AromaticContact CD2-CE2 3.67Å; F288-F376 HydrophobicContact CD2-CE2 3.67Å; F288-F376 AromaticContact CD2-CG 3.97Å; F288-F376 HydrophobicContact CD2-CG 3.97Å; F288-F376 HydrophobicContact CE1-CB 3.99Å; F288-F376 AromaticContact CE2-CD2 3.71Å; F288-F376 HydrophobicContact CE2-CD2 3.71Å; F288-F376 HydrophobicContact CE2-CE2 4.33Å; F288-F376 HydrophobicContact CG-CB 3.86Å; F288-F376 HydrophobicContact CG-CD1 4.42Å; F288-F376 AromaticContact CG-CD2 3.52Å; F288-F376 HydrophobicContact CG-CD2 3.52Å; F288-F376 HydrophobicContact CG-CE2 4.11Å; F288-F376 AromaticContact CG-CG 3.7Å; F288-F376 HydrophobicContact CG-CG 3.7Å; F288-F376 HydrophobicContact CZ-CB 4.44Å; F288-F376 HydrophobicContact CZ-CD2 4.34Å; D290-F376 HydrophobicContact CB-CD1 4.46Å; D290-F376 HydrophobicContact CB-CE1 3.93Å; F300-F376 HydrophobicContact CB-CE2 3.46Å; F300-F376 VanDerWaalsContact CB-CE2 3.46Å; F300-F376 HydrophobicContact CB-CZ 3.57Å; F300-F376 HydrophobicContact CD1-CE2 4.22Å; F300-F376 HydrophobicContact CD1-CZ 4.44Å; F300-F376 HydrophobicContact CD2-CE2 4.15Å; F300-F376 AromaticContact CD2-CZ 3.57Å; F300-F376 HydrophobicContact CD2-CZ 3.57Å; F300-F376 HydrophobicContact CE2-CZ 4.39Å; F300-F376 AromaticContact CG-CE2 3.68Å; F300-F376 HydrophobicContact CG-CE2 3.68Å; F300-F376 AromaticContact CG-CZ 3.6Å; F300-F376 HydrophobicContact CG-CZ 3.6Å; Y370-F376 HydrophobicContact CD1-CD2 4.07Å; Y370-F376 HydrophobicContact CD1-CE2 4.31Å; Y370-F376 PolarHBondContact O-N 2.94Å; K374-F376 HydrophobicContact CB-CD1 4.12Å; K374-F376 HydrophobicContact CB-CD2 3.61Å; K374-F376 HydrophobicContact CB-CE1 3.98Å; K374-F376 HydrophobicContact CB-CE2 3.47Å; K374-F376 VanDerWaalsContact CB-CE2 3.47Å; K374-F376 HydrophobicContact CB-CG 3.94Å; K374-F376 HydrophobicContact CB-CZ 3.68Å; K374-F376 HydrophobicContact CD-CZ 4.34Å; K374-F376 HydrophobicContact CG-CD2 4.36Å; K374-F376 HydrophobicContact CG-CE2 3.82Å; K374-F376 HydrophobicContact CG-CZ 4.07Å; K374-F376 WeakPolarHBondContact O-CD1 3.21Å; K374-F376 PolarHBondContact O-N 2.91Å; F376-A433 WeakPolarHBondContact O-CA 3.37Å; F376-A433 WeakPolarHBondContact O-CB 3.31Å | ||
| 377 | F | 98.5 | Very high | 96.6 | Very high | 10 Ų | 10 | 45.8 Ų | 45.8 | 4% | 0.044 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 144.3 | 174.7 | -74.4 | -82.5 | 0 | 0 | 0 | 111.3 | F288 L306 L352 V354 F367 W371 V432 A433 | F288-F377 HydrophobicContact CE1-CD2 4.36Å; F288-F377 AromaticContact CE1-CE2 3.66Å; F288-F377 HydrophobicContact CE1-CE2 3.66Å; F288-F377 AromaticContact CE1-CZ 3.86Å; F288-F377 HydrophobicContact CE1-CZ 3.86Å; F288-F377 HydrophobicContact CZ-CD2 4.47Å; F288-F377 AromaticContact CZ-CE2 3.61Å; F288-F377 HydrophobicContact CZ-CE2 3.61Å; F288-F377 HydrophobicContact CZ-CZ 4.07Å; L306-F377 HydrophobicContact CD1-CE2 4.43Å; L306-F377 HydrophobicContact CD1-CZ 4.13Å; L306-F377 HydrophobicContact CD2-CZ 4.43Å; L352-F377 HydrophobicContact CD2-CZ 4.13Å; V354-F377 HydrophobicContact CG2-CD1 4.36Å; V354-F377 HydrophobicContact CG2-CE1 3.79Å; V354-F377 HydrophobicContact CG2-CZ 4.2Å; F367-F377 HydrophobicContact CD2-CE2 4.45Å; F367-F377 AromaticContact CE2-CD2 3.9Å; F367-F377 HydrophobicContact CE2-CD2 3.9Å; F367-F377 HydrophobicContact CE2-CE1 4.4Å; F367-F377 AromaticContact CE2-CE2 3.73Å; F367-F377 HydrophobicContact CE2-CE2 3.73Å; F367-F377 HydrophobicContact CE2-CG 4.3Å; F367-F377 HydrophobicContact CE2-CZ 4.01Å; F367-F377 HydrophobicContact CZ-CD1 4.46Å; F367-F377 HydrophobicContact CZ-CD2 4.17Å; F367-F377 HydrophobicContact CZ-CE2 4.42Å; F367-F377 HydrophobicContact CZ-CG 4.19Å; W371-F377 HydrophobicContact CB-CB 4.12Å; W371-F377 VanDerWaalsContact CD1-O 3.31Å; W371-F377 HydrophobicContact CG-CB 4.28Å; F377-V432 CarbonylContact C-O 3.55Å; F377-V432 WeakPolarHBondContact CA-O 3.42Å; F377-A433 HydrophobicContact CD1-CB 3.55Å; F377-A433 HydrophobicContact CD2-CB 4.41Å; F377-A433 HydrophobicContact CE1-CB 3.51Å; F377-A433 HydrophobicContact CE2-CB 4.38Å; F377-A433 HydrophobicContact CG-CB 4.01Å; F377-A433 HydrophobicContact CZ-CB 3.95Å |
| 378 | K | 98 | Very high | 96.8 | Very high | 109 Ų | 109 | 49 Ų | 49 | 47% | 0.474 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 129.2 | 161 | 177.8 | 62.7 | 179.8 | 177.5 | 0 | 108.4 | V380 Y431 V432 | K378-V380 HydrophobicContact CG-CG1 4.48Å; K378-Y431 CarbonylContact O-C 3.52Å; K378-Y431 WeakPolarHBondContact O-CA 3.49Å; K378-V432 HydrophobicContact CB-CG1 4.19Å; K378-V432 PolarHBondContact N-O 2.08Å; K378-V432 PolarHBondContact O-N 2.93Å |
| 379 | D | 98 | Very high | 97 | Very high | 60 Ų | 60 | 50.7 Ų | 50.7 | 32% | 0.321 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 139.5 | 168.9 | 53.4 | -58 | 0 | 0 | 0 | 111 | W371 L430 Y431 | W371-D379 HydrophobicContact CZ2-CB 3.63Å; W371-D379 VanDerWaalsContact CZ2-CG 3.44Å; W371-D379 PolarHBondContact NE1-OD1 2.81Å; D379-L430 WeakPolarHBondContact CA-O 3.4Å; D379-Y431 HydrophobicContact CB-CD1 3.83Å; D379-Y431 HydrophobicContact CB-CE1 3.88Å |
| 380 | V | 98.4 | Very high | 97.3 | Very high | 12 Ų | 12 | 47.3 Ų | 47.3 | 7% | 0.073 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 139.7 | 174.9 | -63.9 | 0 | 0 | 0 | 0 | 109 | K378 N382 M385 L386 H389 T429 L430 V432 | K378-V380 HydrophobicContact CG-CG1 4.48Å; V380-N382 VanDerWaalsContact C-N 3.32Å; V380-N382 PolarHBondContact O-N 3.11Å; V380-M385 HydrophobicContact CB-CB 3.85Å; V380-M385 HydrophobicContact CG1-CB 4.46Å; V380-L386 HydrophobicContact CG2-CB 3.87Å; V380-L386 HydrophobicContact CG2-CD1 4.29Å; V380-H389 HydrophobicContact CG1-CB 4.1Å; V380-T429 WeakPolarHBondContact O-CA 3.35Å; V380-L430 HydrophobicContact CG2-CB 3.82Å; V380-L430 PolarHBondContact N-O 2.91Å; V380-L430 PolarHBondContact O-N 3.03Å; V380-V432 HydrophobicContact CG1-CG1 4.48Å |
| 381 | A | 97.9 | Very high | 97.4 | Very high | 61 Ų | 61 | 49.8 Ų | 49.8 | 50% | 0.504 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -71.7 | -23.1 | -167.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | M385 E428 | A381-M385 HydrophobicContact CB-CG 4.31Å; A381-E428 CarbonylContact C-O 3.45Å; A381-E428 CarbonylContact O-C 3.55Å |
| 382 | N | 98.4 | Very high | 97.4 | Very high | 42 Ų | 42 | 49 Ų | 49 | 23% | 0.225 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -167.8 | 178 | -175.9 | 54.6 | 52.1 | 0 | 0 | 0 | 110.6 | V380 S384 M385 L386 W426 E428 | V380-N382 VanDerWaalsContact C-N 3.32Å; V380-N382 PolarHBondContact O-N 3.11Å; N382-S384 VanDerWaalsContact C-N 3.3Å; N382-S384 PolarHBondContact O-N 2.97Å; N382-S384 VanDerWaalsContact OD1-CB 3.3Å; N382-S384 WeakPolarHBondContact OD1-CB 3.5Å; N382-S384 PolarHBondContact OD1-N 2.95Å; N382-S384 VanDerWaalsContact OD1-N 3.11Å; N382-M385 PolarHBondContact O-N 2.87Å; N382-M385 VanDerWaalsContact O-N 3.17Å; N382-M385 PolarHBondContact OD1-N 2.86Å; N382-L386 PolarHBondContact O-N 2.92Å; N382-W426 WeakPolarHBondContact CA-O 3.31Å; N382-W426 VanDerWaalsContact CB-O 3.26Å; N382-W426 WeakPolarHBondContact CB-O 3.34Å; N382-E428 WeakPolarHBondContact CA-O 3.46Å |
| 383 | G | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.3 | -32 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L386 A387 W426 | G383-L386 WeakPolarHBondContact O-CB 3.39Å; G383-L386 PolarHBondContact O-N 2.94Å; G383-A387 WeakPolarHBondContact O-CB 3.46Å; G383-A387 PolarHBondContact O-N 3.39Å; G383-W426 VanDerWaalsContact C-CH2 3.49Å; G383-W426 PolarHBondContact N-O 2.99Å |
| 384 | S | 98.3 | Very high | 97.6 | Very high | 31 Ų | 31 | 50 Ų | 50 | 22% | 0.217 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66 | -42.9 | 174.6 | -177.1 | 0 | 0 | 0 | 0 | 111.3 | N382 L386 A387 A388 N394 | N382-S384 VanDerWaalsContact C-N 3.3Å; N382-S384 PolarHBondContact O-N 2.97Å; N382-S384 VanDerWaalsContact OD1-CB 3.3Å; N382-S384 WeakPolarHBondContact OD1-CB 3.5Å; N382-S384 PolarHBondContact OD1-N 2.95Å; N382-S384 VanDerWaalsContact OD1-N 3.11Å; S384-L386 VanDerWaalsContact C-N 3.32Å; S384-L386 PolarHBondContact O-N 3.33Å; S384-A387 PolarHBondContact O-N 3.32Å; S384-A388 WeakPolarHBondContact O-CB 3.41Å; S384-A388 PolarHBondContact O-N 2.88Å; S384-N394 PolarHBondContact OG-ND2 3.5Å |
| 385 | M | 98.5 | Very high | 97.7 | Very high | 90 Ų | 90 | 52.3 Ų | 52.3 | 44% | 0.443 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -69.3 | -29.8 | 175.3 | -64.5 | -60.3 | 101.3 | 0 | 0 | 112.4 | V380 A381 N382 H389 | V380-M385 HydrophobicContact CB-CB 3.85Å; V380-M385 HydrophobicContact CG1-CB 4.46Å; A381-M385 HydrophobicContact CB-CG 4.31Å; N382-M385 PolarHBondContact O-N 2.87Å; N382-M385 VanDerWaalsContact O-N 3.17Å; N382-M385 PolarHBondContact OD1-N 2.86Å; M385-H389 VanDerWaalsContact O-CB 3.29Å; M385-H389 WeakPolarHBondContact O-CB 3.45Å; M385-H389 PolarHBondContact O-N 3.17Å |
| 386 | L | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.5 | -48.5 | 170.3 | 179.1 | 59.8 | 0 | 0 | 0 | 111.3 | L314 V353 V380 N382 G383 S384 A388 H389 M390 I397 L430 V432 | L314-L386 HydrophobicContact CD1-CD2 4.49Å; V353-L386 HydrophobicContact CG1-CD2 4.06Å; V353-L386 HydrophobicContact CG2-CD1 4.3Å; V353-L386 HydrophobicContact CG2-CD2 4.21Å; V380-L386 HydrophobicContact CG2-CB 3.87Å; V380-L386 HydrophobicContact CG2-CD1 4.29Å; N382-L386 PolarHBondContact O-N 2.92Å; G383-L386 WeakPolarHBondContact O-CB 3.39Å; G383-L386 PolarHBondContact O-N 2.94Å; S384-L386 VanDerWaalsContact C-N 3.32Å; S384-L386 PolarHBondContact O-N 3.33Å; L386-A388 PolarHBondContact O-N 2.81Å; L386-H389 PolarHBondContact O-N 3.03Å; L386-M390 HydrophobicContact CD1-CG 4.14Å; L386-M390 HydrophobicContact CD1-SD 3.71Å; L386-M390 HydrophobicContact CG-SD 3.97Å; L386-M390 WeakPolarHBondContact O-CG 3.44Å; L386-M390 PolarHBondContact O-N 3.14Å; L386-I397 HydrophobicContact CD2-CD1 4.43Å; L386-I397 HydrophobicContact CD2-CG2 3.94Å; L386-I397 HydrophobicContact CG-CD1 4.43Å; L386-I397 HydrophobicContact CG-CG2 4.4Å; L386-L430 HydrophobicContact CB-CD1 4.39Å; L386-L430 HydrophobicContact CD2-CD1 3.73Å; L386-V432 HydrophobicContact CD1-CB 3.89Å; L386-V432 HydrophobicContact CD1-CG1 4.09Å; L386-V432 HydrophobicContact CD1-CG2 4.13Å |
| 387 | A | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.5 | -47.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | G383 S384 H389 M390 G391 V392 N394 I397 | G383-A387 WeakPolarHBondContact O-CB 3.46Å; G383-A387 PolarHBondContact O-N 3.39Å; S384-A387 PolarHBondContact O-N 3.32Å; A387-H389 PolarHBondContact O-N 3.23Å; A387-M390 PolarHBondContact O-N 2.76Å; A387-G391 PolarHBondContact O-N 3.04Å; A387-V392 CarbonylContact C-O 3.56Å; A387-V392 HydrophobicContact CB-CG2 4.23Å; A387-V392 WeakPolarHBondContact CB-O 3.03Å; A387-V392 PolarHBondContact O-N 2.83Å; A387-N394 VanDerWaalsContact CB-OD1 3.25Å; A387-N394 WeakPolarHBondContact CB-OD1 3.38Å; A387-I397 HydrophobicContact CB-CB 4.25Å; A387-I397 HydrophobicContact CB-CG1 3.68Å |
| 388 | A | 98.1 | Very high | 97.7 | Very high | 68 Ų | 68 | 53.3 Ų | 53.3 | 56% | 0.562 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -59.7 | -42.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | S384 L386 M390 G391 | S384-A388 WeakPolarHBondContact O-CB 3.41Å; S384-A388 PolarHBondContact O-N 2.88Å; L386-A388 PolarHBondContact O-N 2.81Å; A388-M390 VanDerWaalsContact C-N 3.33Å; A388-M390 PolarHBondContact O-N 2.98Å; A388-G391 PolarHBondContact O-N 2.69Å |
| 389 | H | 97.4 | Very high | 97.7 | Very high | 91 Ų | 91 | 55 Ų | 55 | 42% | 0.421 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.9 | -36.3 | 177.7 | -177 | 70.3 | 0 | 0 | 0 | 112.9 | V380 M385 L386 A387 V432 | V380-H389 HydrophobicContact CG1-CB 4.1Å; M385-H389 VanDerWaalsContact O-CB 3.29Å; M385-H389 WeakPolarHBondContact O-CB 3.45Å; M385-H389 PolarHBondContact O-N 3.17Å; L386-H389 PolarHBondContact O-N 3.03Å; A387-H389 PolarHBondContact O-N 3.23Å; H389-V432 VanDerWaalsContact CD2-CG1 3.4Å; H389-V432 WeakPolarHBondContact CD2-CG1 3.48Å |
| 390 | M | 97.2 | Very high | 97.8 | Very high | 20 Ų | 20 | 52.7 Ų | 52.7 | 10% | 0.099 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -83.4 | -11.8 | 178.9 | -69.8 | 178.4 | 60.4 | 0 | 0 | 113.4 | L314 N315 F351 L386 A387 A388 V392 I397 | L314-M390 HydrophobicContact CB-CE 3.85Å; L314-M390 HydrophobicContact CD1-CE 4.1Å; L314-M390 HydrophobicContact CD1-SD 4.01Å; N315-M390 WeakPolarHBondContact O-CE 3.45Å; F351-M390 HydrophobicContact CB-CE 4.17Å; F351-M390 HydrophobicContact CB-SD 4.45Å; F351-M390 HydrophobicContact CD1-CG 4.33Å; F351-M390 HydrophobicContact CD2-CE 3.65Å; F351-M390 HydrophobicContact CE1-CG 4.45Å; F351-M390 HydrophobicContact CE2-CE 4.18Å; F351-M390 HydrophobicContact CG-CE 3.95Å; F351-M390 HydrophobicContact CG-CG 4.43Å; F351-M390 HydrophobicContact CG-SD 4.41Å; L386-M390 HydrophobicContact CD1-CG 4.14Å; L386-M390 HydrophobicContact CD1-SD 3.71Å; L386-M390 HydrophobicContact CG-SD 3.97Å; L386-M390 WeakPolarHBondContact O-CG 3.44Å; L386-M390 PolarHBondContact O-N 3.14Å; A387-M390 PolarHBondContact O-N 2.76Å; A388-M390 VanDerWaalsContact C-N 3.33Å; A388-M390 PolarHBondContact O-N 2.98Å; M390-V392 HydrophobicContact CB-CG1 4.37Å; M390-V392 HydrophobicContact CB-CG2 4.02Å; M390-I397 HydrophobicContact CE-CD1 4.37Å; M390-I397 HydrophobicContact SD-CD1 3.98Å |
| 391 | G | 96.4 | Very high | 97.8 | Very high | 69 Ų | 69 | 52.3 Ų | 52.3 | 71% | 0.711 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69 | 38.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A387 A388 | A387-G391 PolarHBondContact O-N 3.04Å; A388-G391 PolarHBondContact O-N 2.69Å |
| 392 | V | 97 | Very high | 97.8 | Very high | 25 Ų | 25 | 56 Ų | 56 | 15% | 0.152 | 30% | 0.297 | C | S | . | . | trans | -126 | 162.6 | -179.8 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | Q316 A387 M390 I397 | Q316-V392 WeakPolarHBondContact O-CG1 3.22Å; A387-V392 CarbonylContact C-O 3.56Å; A387-V392 HydrophobicContact CB-CG2 4.23Å; A387-V392 WeakPolarHBondContact CB-O 3.03Å; A387-V392 PolarHBondContact O-N 2.83Å; M390-V392 HydrophobicContact CB-CG1 4.37Å; M390-V392 HydrophobicContact CB-CG2 4.02Å; V392-I397 HydrophobicContact CG2-CD1 3.86Å; V392-I397 HydrophobicContact CG2-CG1 3.7Å | ||
| 393 | D | 94.6 | Very high | 97.8 | Very high | 131 Ų | 131 | 58.4 Ų | 58.4 | 70% | 0.701 | 31% | 0.309 | S | S | * | . | trans | -65.4 | 141.9 | 177.7 | -66.3 | -50.1 | 0 | 0 | 0 | 112.4 | E395 A396 | D393-E395 PolarHBondContact O-N 3.21Å; D393-A396 WeakPolarHBondContact O-CB 3.26Å; D393-A396 PolarHBondContact O-N 3.48Å | ||
| 394 | N | 97.5 | Very high | 97.8 | Very high | 76 Ų | 76 | 58.4 Ų | 58.4 | 41% | 0.406 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -53.4 | -39.5 | 175.7 | -79.3 | -2.7 | 0 | 0 | 0 | 112.3 | S384 A387 A396 I397 Y398 W426 | S384-N394 PolarHBondContact OG-ND2 3.5Å; A387-N394 VanDerWaalsContact CB-OD1 3.25Å; A387-N394 WeakPolarHBondContact CB-OD1 3.38Å; N394-A396 VanDerWaalsContact C-N 3.29Å; N394-A396 PolarHBondContact O-N 2.93Å; N394-I397 PolarHBondContact O-N 3.35Å; N394-Y398 VanDerWaalsContact O-CB 3.31Å; N394-Y398 WeakPolarHBondContact O-CB 3.41Å; N394-Y398 PolarHBondContact O-N 3.05Å; N394-W426 HydrophobicContact CB-CH2 4.19Å |
| 395 | E | 97.7 | Very high | 97.8 | Very high | 98 Ų | 98 | 58.9 Ų | 58.9 | 46% | 0.458 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.5 | -36.6 | -179.9 | -178 | 64.4 | -178.3 | 0 | 0 | 112.3 | D393 Y398 R399 | D393-E395 PolarHBondContact O-N 3.21Å; E395-Y398 PolarHBondContact O-N 2.93Å; E395-R399 WeakPolarHBondContact O-CB 3.29Å; E395-R399 WeakPolarHBondContact O-CG 3.25Å; E395-R399 PolarHBondContact O-N 2.97Å; E395-R399 IonicContact OE1-CZ 3.24Å; E395-R399 VanDerWaalsContact OE1-CZ 3.24Å; E395-R399 IonicContact OE1-NE 2.7Å; E395-R399 PolarHBondContact OE1-NE 2.7Å; E395-R399 IonicContact OE1-NH2 2.88Å; E395-R399 PolarHBondContact OE1-NH2 2.72Å |
| 396 | A | 97.5 | Very high | 97.8 | Very high | 27 Ų | 27 | 56.8 Ų | 56.8 | 22% | 0.223 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.9 | -43.6 | -180 | 0 | 0 | 0 | 0 | 0 | 111.8 | D393 N394 T400 | D393-A396 WeakPolarHBondContact O-CB 3.26Å; D393-A396 PolarHBondContact O-N 3.48Å; N394-A396 VanDerWaalsContact C-N 3.29Å; N394-A396 PolarHBondContact O-N 2.93Å; A396-T400 WeakPolarHBondContact O-CB 3.13Å; A396-T400 PolarHBondContact O-N 3.08Å; A396-T400 VanDerWaalsContact O-N 3.13Å; A396-T400 PolarHBondContact O-OG1 3.49Å |
| 397 | I | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.7 | -43.9 | 174.8 | -62.3 | -60.7 | 0 | 0 | 0 | 110.4 | L314 L386 A387 M390 V392 N394 R399 T400 L401 W426 | L314-I397 HydrophobicContact CD1-CD1 4Å; L386-I397 HydrophobicContact CD2-CD1 4.43Å; L386-I397 HydrophobicContact CD2-CG2 3.94Å; L386-I397 HydrophobicContact CG-CD1 4.43Å; L386-I397 HydrophobicContact CG-CG2 4.4Å; A387-I397 HydrophobicContact CB-CB 4.25Å; A387-I397 HydrophobicContact CB-CG1 3.68Å; M390-I397 HydrophobicContact CE-CD1 4.37Å; M390-I397 HydrophobicContact SD-CD1 3.98Å; V392-I397 HydrophobicContact CG2-CD1 3.86Å; V392-I397 HydrophobicContact CG2-CG1 3.7Å; N394-I397 PolarHBondContact O-N 3.35Å; I397-R399 PolarHBondContact O-N 3.3Å; I397-T400 PolarHBondContact O-N 3.1Å; I397-T400 VanDerWaalsContact O-N 3.16Å; I397-L401 HydrophobicContact CG2-CD1 4.08Å; I397-L401 HydrophobicContact CG2-CG 4.19Å; I397-L401 WeakPolarHBondContact O-CG 3.22Å; I397-L401 PolarHBondContact O-N 3.3Å; I397-W426 HydrophobicContact CB-CZ3 4.27Å; I397-W426 HydrophobicContact CG2-CZ3 3.96Å |
| 398 | Y | 98.4 | Very high | 97.7 | Very high | 109 Ų | 109 | 58.6 Ų | 58.6 | 43% | 0.427 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -56.9 | -51.2 | -179.4 | -178.9 | -92.5 | 0 | 0 | 0 | 111.1 | N394 E395 T400 L401 Y402 W426 | N394-Y398 VanDerWaalsContact O-CB 3.31Å; N394-Y398 WeakPolarHBondContact O-CB 3.41Å; N394-Y398 PolarHBondContact O-N 3.05Å; E395-Y398 PolarHBondContact O-N 2.93Å; Y398-T400 VanDerWaalsContact C-N 3.34Å; Y398-T400 PolarHBondContact O-N 3.01Å; Y398-L401 PolarHBondContact O-N 3.06Å; Y398-Y402 VanDerWaalsContact O-CB 3.25Å; Y398-Y402 WeakPolarHBondContact O-CB 3.16Å; Y398-Y402 PolarHBondContact O-N 2.86Å; Y398-W426 VanDerWaalsContact CA-CZ3 3.46Å; Y398-W426 AromaticContact CD2-CD2 3.82Å; Y398-W426 HydrophobicContact CD2-CD2 3.82Å; Y398-W426 AromaticContact CD2-CE3 3.64Å; Y398-W426 HydrophobicContact CD2-CE3 3.64Å; Y398-W426 HydrophobicContact CD2-CG 4.28Å; Y398-W426 HydrophobicContact CD2-CZ3 4.04Å; Y398-W426 HydrophobicContact CG-CE3 4.32Å; Y398-W426 HydrophobicContact CG-CZ3 4.33Å |
| 399 | R | 98.1 | Very high | 97.7 | Very high | 144 Ų | 144 | 59.4 Ų | 59.4 | 54% | 0.543 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.9 | -44.6 | 175.6 | -72.9 | -175.2 | -174.5 | -143.6 | -1.7 | 112.1 | E395 I397 L401 Y402 D403 | E395-R399 WeakPolarHBondContact O-CB 3.29Å; E395-R399 WeakPolarHBondContact O-CG 3.25Å; E395-R399 PolarHBondContact O-N 2.97Å; E395-R399 IonicContact OE1-CZ 3.24Å; E395-R399 VanDerWaalsContact OE1-CZ 3.24Å; E395-R399 IonicContact OE1-NE 2.7Å; E395-R399 PolarHBondContact OE1-NE 2.7Å; E395-R399 IonicContact OE1-NH2 2.88Å; E395-R399 PolarHBondContact OE1-NH2 2.72Å; I397-R399 PolarHBondContact O-N 3.3Å; R399-L401 PolarHBondContact O-N 2.74Å; R399-Y402 PolarHBondContact O-N 3.3Å; R399-D403 VanDerWaalsContact O-CB 3.29Å; R399-D403 WeakPolarHBondContact O-CB 3.25Å; R399-D403 PolarHBondContact O-N 2.88Å |
| 400 | T | 98.3 | Very high | 97.7 | Very high | 12 Ų | 12 | 60.1 Ų | 60.1 | 7% | 0.074 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61 | -43.4 | -179.1 | -63 | 0 | 0 | 0 | 0 | 112.6 | L314 G318 R320 A396 I397 Y398 Y404 | L314-T400 HydrophobicContact CD2-CG2 3.64Å; G318-T400 PolarHBondContact O-OG1 3.09Å; R320-T400 HydrophobicContact CG-CG2 3.85Å; A396-T400 WeakPolarHBondContact O-CB 3.13Å; A396-T400 PolarHBondContact O-N 3.08Å; A396-T400 VanDerWaalsContact O-N 3.13Å; A396-T400 PolarHBondContact O-OG1 3.49Å; I397-T400 PolarHBondContact O-N 3.1Å; I397-T400 VanDerWaalsContact O-N 3.16Å; Y398-T400 VanDerWaalsContact C-N 3.34Å; Y398-T400 PolarHBondContact O-N 3.01Å; T400-Y404 WeakPolarHBondContact O-CB 3.31Å; T400-Y404 PolarHBondContact O-N 3.45Å; T400-Y404 VanDerWaalsContact O-N 3.14Å |
| 401 | L | 98.4 | Very high | 97.7 | Very high | 4 Ų | 4 | 63.7 Ų | 63.7 | 2% | 0.021 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -71.5 | -38.6 | 177.1 | -59.1 | -173.7 | 0 | 0 | 0 | 111.6 | I312 I397 Y398 R399 N405 F424 W426 L430 | I312-L401 HydrophobicContact CD1-CD2 3.9Å; I397-L401 HydrophobicContact CG2-CD1 4.08Å; I397-L401 HydrophobicContact CG2-CG 4.19Å; I397-L401 WeakPolarHBondContact O-CG 3.22Å; I397-L401 PolarHBondContact O-N 3.3Å; Y398-L401 PolarHBondContact O-N 3.06Å; R399-L401 PolarHBondContact O-N 2.74Å; L401-N405 VanDerWaalsContact O-CG 3.25Å; L401-N405 PolarHBondContact O-N 3.41Å; L401-N405 VanDerWaalsContact O-N 3.09Å; L401-N405 PolarHBondContact O-ND2 3.49Å; L401-F424 HydrophobicContact CB-CB 4.39Å; L401-F424 HydrophobicContact CD1-CB 4.43Å; L401-F424 HydrophobicContact CD2-CB 3.84Å; L401-F424 HydrophobicContact CD2-CG 4.2Å; L401-F424 HydrophobicContact CG-CB 4.43Å; L401-W426 HydrophobicContact CD1-CE3 4.48Å; L401-L430 HydrophobicContact CD1-CD1 4.17Å |
| 402 | Y | 98.1 | Very high | 97.7 | Very high | 140 Ų | 140 | 65.6 Ų | 65.6 | 55% | 0.549 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.9 | -52.2 | 176 | 179.3 | -90.7 | 0 | 0 | 0 | 111.8 | Y398 R399 Y404 N405 A406 | Y398-Y402 VanDerWaalsContact O-CB 3.25Å; Y398-Y402 WeakPolarHBondContact O-CB 3.16Å; Y398-Y402 PolarHBondContact O-N 2.86Å; R399-Y402 PolarHBondContact O-N 3.3Å; Y402-Y404 VanDerWaalsContact C-N 3.32Å; Y402-Y404 PolarHBondContact O-N 2.79Å; Y402-N405 PolarHBondContact O-N 2.92Å; Y402-N405 VanDerWaalsContact O-N 3.1Å; Y402-A406 PolarHBondContact O-N 3.29Å |
| 403 | D | 98.1 | Very high | 97.7 | Very high | 91 Ų | 91 | 64.6 Ų | 64.6 | 49% | 0.487 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.7 | -41.1 | -179.3 | -68.3 | -16.5 | 0 | 0 | 0 | 110.8 | R399 N405 A406 S407 | R399-D403 VanDerWaalsContact O-CB 3.29Å; R399-D403 WeakPolarHBondContact O-CB 3.25Å; R399-D403 PolarHBondContact O-N 2.88Å; D403-N405 VanDerWaalsContact C-N 3.35Å; D403-N405 PolarHBondContact O-N 2.94Å; D403-A406 PolarHBondContact O-N 2.87Å; D403-S407 WeakPolarHBondContact O-CB 3.45Å; D403-S407 PolarHBondContact O-N 3.38Å; D403-S407 PolarHBondContact O-OG 2.91Å |
| 404 | Y | 98.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 64.9 Ų | 64.9 | 0% | 0.004 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.4 | -45.8 | 173.7 | 177.1 | -84.5 | 0 | 0 | 0 | 111.7 | I312 T400 Y402 S407 A408 F420 V422 F424 | I312-Y404 HydrophobicContact CG2-CD2 3.7Å; I312-Y404 HydrophobicContact CG2-CE2 3.49Å; I312-Y404 VanDerWaalsContact CG2-CE2 3.49Å; T400-Y404 WeakPolarHBondContact O-CB 3.31Å; T400-Y404 PolarHBondContact O-N 3.45Å; T400-Y404 VanDerWaalsContact O-N 3.14Å; Y402-Y404 VanDerWaalsContact C-N 3.32Å; Y402-Y404 PolarHBondContact O-N 2.79Å; Y404-S407 PolarHBondContact O-N 2.83Å; Y404-A408 WeakPolarHBondContact O-CB 3.33Å; Y404-A408 PolarHBondContact O-N 3.43Å; Y404-F420 HydrophobicContact CD2-CD1 4.16Å; Y404-F420 HydrophobicContact CD2-CE1 4.12Å; Y404-F420 HydrophobicContact CE1-CD1 4.16Å; Y404-F420 AromaticContact CE2-CD1 3.63Å; Y404-F420 HydrophobicContact CE2-CD1 3.63Å; Y404-F420 AromaticContact CE2-CE1 3.92Å; Y404-F420 HydrophobicContact CE2-CE1 3.92Å; Y404-F420 AromaticContact CZ-CD1 3.62Å; Y404-V422 VanDerWaalsContact CE1-O 3.24Å; Y404-V422 WeakPolarHBondContact CE1-O 3.42Å; Y404-V422 PolarHBondContact OH-O 3.41Å; Y404-V422 VanDerWaalsContact OH-O 3.13Å; Y404-F424 AromaticContact CD1-CD2 3.7Å; Y404-F424 HydrophobicContact CD1-CD2 3.7Å; Y404-F424 HydrophobicContact CD1-CE2 4.25Å; Y404-F424 AromaticContact CE1-CD2 3.61Å; Y404-F424 HydrophobicContact CE1-CD2 3.61Å; Y404-F424 AromaticContact CE1-CE2 3.82Å; Y404-F424 HydrophobicContact CE1-CE2 3.82Å; Y404-F424 HydrophobicContact CG-CD2 4.41Å; Y404-F424 AromaticContact CZ-CE2 3.98Å |
| 405 | N | 98.5 | Very high | 97.8 | Very high | 40 Ų | 40 | 65.3 Ų | 65.3 | 21% | 0.214 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.3 | -37.9 | 179 | -69 | -17.1 | 0 | 0 | 0 | 112.6 | L401 Y402 D403 S407 A408 A409 T423 F424 | L401-N405 VanDerWaalsContact O-CG 3.25Å; L401-N405 PolarHBondContact O-N 3.41Å; L401-N405 VanDerWaalsContact O-N 3.09Å; L401-N405 PolarHBondContact O-ND2 3.49Å; Y402-N405 PolarHBondContact O-N 2.92Å; Y402-N405 VanDerWaalsContact O-N 3.1Å; D403-N405 VanDerWaalsContact C-N 3.35Å; D403-N405 PolarHBondContact O-N 2.94Å; N405-S407 VanDerWaalsContact C-N 3.35Å; N405-A408 WeakPolarHBondContact O-CB 3.32Å; N405-A408 PolarHBondContact O-N 2.96Å; N405-A409 PolarHBondContact O-N 3.21Å; N405-T423 WeakPolarHBondContact OD1-CA 3.4Å; N405-T423 VanDerWaalsContact OD1-CB 3.22Å; N405-T423 WeakPolarHBondContact OD1-CB 3.48Å; N405-F424 PolarHBondContact ND2-O 3.03Å; N405-F424 PolarHBondContact OD1-N 2.98Å |
| 406 | A | 98.3 | Very high | 97.7 | Very high | 47 Ų | 47 | 62.5 Ų | 62.5 | 39% | 0.388 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y402 D403 A409 | Y402-A406 PolarHBondContact O-N 3.29Å; D403-A406 PolarHBondContact O-N 2.87Å; A406-A409 WeakPolarHBondContact O-CB 3.49Å; A406-A409 PolarHBondContact O-N 3.31Å |
| 407 | S | 98.4 | Very high | 97.7 | Very high | 23 Ų | 23 | 61.3 Ų | 61.3 | 16% | 0.161 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.2 | -37.2 | 172.6 | -76.7 | 0 | 0 | 0 | 0 | 113.4 | D403 Y404 N405 A409 V410 N411 H412 D413 | D403-S407 WeakPolarHBondContact O-CB 3.45Å; D403-S407 PolarHBondContact O-N 3.38Å; D403-S407 PolarHBondContact O-OG 2.91Å; Y404-S407 PolarHBondContact O-N 2.83Å; N405-S407 VanDerWaalsContact C-N 3.35Å; S407-A409 VanDerWaalsContact C-N 3.28Å; S407-A409 PolarHBondContact O-N 3.46Å; S407-V410 CarbonylContact O-C 3.36Å; S407-V410 WeakPolarHBondContact O-CG2 3.33Å; S407-V410 PolarHBondContact O-N 3.33Å; S407-N411 WeakPolarHBondContact O-CA 3.35Å; S407-N411 PolarHBondContact O-N 2.79Å; S407-H412 WeakPolarHBondContact CA-O 3.23Å; S407-H412 WeakPolarHBondContact CB-O 3.25Å; S407-H412 PolarHBondContact O-N 3.16Å; S407-H412 VanDerWaalsContact O-N 3.15Å; S407-H412 PolarHBondContact OG-O 2.83Å; S407-H412 VanDerWaalsContact OG-O 3.05Å; S407-D413 WeakPolarHBondContact OG-CA 3.4Å; S407-D413 VanDerWaalsContact OG-CB 3.22Å; S407-D413 WeakPolarHBondContact OG-CB 3.44Å |
| 408 | A | 98.1 | Very high | 97.7 | Very high | 14 Ų | 14 | 65.4 Ų | 65.4 | 12% | 0.116 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.9 | -36.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y404 N405 V410 N411 F420 T423 | Y404-A408 WeakPolarHBondContact O-CB 3.33Å; Y404-A408 PolarHBondContact O-N 3.43Å; N405-A408 WeakPolarHBondContact O-CB 3.32Å; N405-A408 PolarHBondContact O-N 2.96Å; A408-V410 PolarHBondContact O-N 2.91Å; A408-N411 PolarHBondContact O-N 2.92Å; A408-F420 HydrophobicContact CB-CB 3.57Å; A408-F420 HydrophobicContact CB-CD1 3.77Å; A408-F420 HydrophobicContact CB-CG 3.76Å; A408-T423 HydrophobicContact CB-CG2 4.23Å |
| 409 | A | 97.9 | Very high | 97.6 | Very high | 85 Ų | 85 | 62.1 Ų | 62.1 | 70% | 0.702 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -65.1 | -26.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | N405 A406 S407 | N405-A409 PolarHBondContact O-N 3.21Å; A406-A409 WeakPolarHBondContact O-CB 3.49Å; A406-A409 PolarHBondContact O-N 3.31Å; S407-A409 VanDerWaalsContact C-N 3.28Å; S407-A409 PolarHBondContact O-N 3.46Å |
| 410 | V | 97.5 | Very high | 97.5 | Very high | 107 Ų | 107 | 56.4 Ų | 56.4 | 65% | 0.648 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -110.5 | 2.9 | 179.3 | -59.3 | 0 | 0 | 0 | 0 | 113.5 | S407 A408 H412 | S407-V410 CarbonylContact O-C 3.36Å; S407-V410 WeakPolarHBondContact O-CG2 3.33Å; S407-V410 PolarHBondContact O-N 3.33Å; A408-V410 PolarHBondContact O-N 2.91Å; V410-H412 PolarHBondContact O-N 3.16Å |
| 411 | N | 95.8 | Very high | 97.4 | Very high | 95 Ų | 95 | 57.8 Ų | 57.8 | 51% | 0.508 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 36.5 | -176.1 | -63.4 | -62.6 | 0 | 0 | 0 | 114.4 | S407 A408 T418 | S407-N411 WeakPolarHBondContact O-CA 3.35Å; S407-N411 PolarHBondContact O-N 2.79Å; A408-N411 PolarHBondContact O-N 2.92Å; N411-T418 WeakPolarHBondContact O-CA 3.18Å |
| 412 | H | 97.3 | Very high | 97.4 | Very high | 108 Ų | 108 | 58 Ų | 58 | 50% | 0.5 | 34% | 0.337 | S | S | . | . | trans | -155.4 | 137 | 176.8 | -166.1 | 65.5 | 0 | 0 | 0 | 111.8 | S407 V410 K417 | S407-H412 WeakPolarHBondContact CA-O 3.23Å; S407-H412 WeakPolarHBondContact CB-O 3.25Å; S407-H412 PolarHBondContact O-N 3.16Å; S407-H412 VanDerWaalsContact O-N 3.15Å; S407-H412 PolarHBondContact OG-O 2.83Å; S407-H412 VanDerWaalsContact OG-O 3.05Å; V410-H412 PolarHBondContact O-N 3.16Å; H412-K417 VanDerWaalsContact CA-O 3.28Å; H412-K417 WeakPolarHBondContact CA-O 3.47Å | ||
| 413 | D | 97.4 | Very high | 97.4 | Very high | 5 Ų | 5 | 54.4 Ų | 54.4 | 3% | 0.027 | 33% | 0.329 | C | S | . | . | trans | -126.9 | 173.9 | 167.9 | 72.4 | 15.3 | 0 | 0 | 0 | 112.4 | R320 S407 Y415 G416 K417 F420 | R320-D413 IonicContact CZ-OD2 2.89Å; R320-D413 VanDerWaalsContact CZ-OD2 3.3Å; R320-D413 IonicContact NH1-OD2 2.63Å; R320-D413 PolarHBondContact NH1-OD2 3.21Å; R320-D413 IonicContact NH2-OD2 2.76Å; R320-D413 PolarHBondContact NH2-OD2 2.98Å; S407-D413 WeakPolarHBondContact OG-CA 3.4Å; S407-D413 VanDerWaalsContact OG-CB 3.22Å; S407-D413 WeakPolarHBondContact OG-CB 3.44Å; D413-Y415 PolarHBondContact O-N 3.25Å; D413-Y415 WeakPolarHBondContact OD1-CA 3.46Å; D413-Y415 WeakPolarHBondContact OD1-CB 3.45Å; D413-Y415 PolarHBondContact OD1-N 3.25Å; D413-G416 PolarHBondContact O-N 3.48Å; D413-G416 PolarHBondContact OD1-N 3.01Å; D413-K417 VanDerWaalsContact CG-CB 3.43Å; D413-K417 PolarHBondContact N-O 2.74Å; D413-K417 WeakPolarHBondContact OD1-CB 3.11Å; D413-K417 PolarHBondContact OD1-N 2.83Å; D413-K417 VanDerWaalsContact OD2-CB 3.29Å; D413-K417 WeakPolarHBondContact OD2-CB 3.16Å; D413-F420 HydrophobicContact CB-CZ 4.04Å | ||
| 414 | T | 96.6 | Very high | 97.4 | Very high | 136 Ų | 136 | 50.1 Ų | 50.1 | 83% | 0.834 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -12.7 | 179.7 | 52.6 | 0 | 0 | 0 | 0 | 114 | G416 | T414-G416 VanDerWaalsContact C-N 3.3Š|
| 415 | Y | 97.2 | Very high | 97.4 | Very high | 86 Ų | 86 | 54.9 Ų | 54.9 | 34% | 0.337 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 5.4 | 172.8 | -48.2 | -70.3 | 0 | 0 | 0 | 112 | R320 D413 K417 | R320-Y415 HydrophobicContact CB-CE2 3.91Å; R320-Y415 PolarHBondContact O-OH 3.24Å; D413-Y415 PolarHBondContact O-N 3.25Å; D413-Y415 WeakPolarHBondContact OD1-CA 3.46Å; D413-Y415 WeakPolarHBondContact OD1-CB 3.45Å; D413-Y415 PolarHBondContact OD1-N 3.25Å; Y415-K417 PolarHBondContact O-N 3.35Å |
| 416 | G | 96.3 | Very high | 97.3 | Very high | 38 Ų | 38 | 56.3 Ų | 56.3 | 39% | 0.392 | 33% | 0.334 | S | S | . | . | trans | 72.1 | 16.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D413 T414 | D413-G416 PolarHBondContact O-N 3.48Å; D413-G416 PolarHBondContact OD1-N 3.01Å; T414-G416 VanDerWaalsContact C-N 3.3Å | ||
| 417 | K | 97.4 | Very high | 97.3 | Very high | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.009 | 35% | 0.35 | C | S | . | . | trans | -69.8 | 133.9 | 173.7 | -173.3 | 173.4 | 178.3 | 53.5 | 0 | 109.6 | N323 E324 H412 D413 Y415 V419 F420 | N323-K417 HydrophobicContact CB-CB 4.06Å; N323-K417 WeakPolarHBondContact OD1-CG 3.45Å; E324-K417 IonicContact OE2-NZ 3.55Å; H412-K417 VanDerWaalsContact CA-O 3.28Å; H412-K417 WeakPolarHBondContact CA-O 3.47Å; D413-K417 VanDerWaalsContact CG-CB 3.43Å; D413-K417 PolarHBondContact N-O 2.74Å; D413-K417 WeakPolarHBondContact OD1-CB 3.11Å; D413-K417 PolarHBondContact OD1-N 2.83Å; D413-K417 VanDerWaalsContact OD2-CB 3.29Å; D413-K417 WeakPolarHBondContact OD2-CB 3.16Å; Y415-K417 PolarHBondContact O-N 3.35Å; K417-V419 WeakPolarHBondContact CE-O 3.44Å; K417-V419 PolarHBondContact NZ-O 3.04Å; K417-F420 HydrophobicContact CB-CE2 4.29Å; K417-F420 HydrophobicContact CB-CZ 3.86Å; K417-F420 HydrophobicContact CD-CD1 4.34Å; K417-F420 HydrophobicContact CD-CE1 3.77Å; K417-F420 HydrophobicContact CD-CE2 4.48Å; K417-F420 HydrophobicContact CD-CZ 3.84Å; K417-F420 HydrophobicContact CG-CE1 4.16Å; K417-F420 HydrophobicContact CG-CE2 3.97Å; K417-F420 HydrophobicContact CG-CZ 3.72Å; K417-F420 WeakPolarHBondContact O-CE2 3.23Å | ||
| 418 | T | 96.4 | Very high | 97.3 | Very high | 87 Ų | 87 | 61 Ų | 61 | 53% | 0.534 | 35% | 0.35 | S | S | . | . | trans | -122.3 | 1.4 | 178.7 | 55.4 | 0 | 0 | 0 | 0 | 113.7 | N411 | N411-T418 WeakPolarHBondContact O-CA 3.18Š| ||
| 419 | V | 96.3 | Very high | 97.3 | Very high | 40 Ų | 40 | 62.7 Ų | 62.7 | 24% | 0.242 | 36% | 0.359 | C | S | . | . | trans | -124.8 | 111 | -173.2 | 177.2 | 0 | 0 | 0 | 0 | 109.2 | I138 L325 K417 P421 | I138-V419 HydrophobicContact CD1-CG2 4.2Å; I138-V419 HydrophobicContact CG2-CG1 3.82Å; L325-V419 HydrophobicContact CD1-CB 3.97Å; L325-V419 HydrophobicContact CD1-CG1 3.89Å; K417-V419 WeakPolarHBondContact CE-O 3.44Å; K417-V419 PolarHBondContact NZ-O 3.04Å; V419-P421 HydrophobicContact CG1-CG 3.93Å | ||
| 420 | F | 97.4 | Very high | 97.4 | Very high | 23 Ų | 23 | 58.6 Ų | 58.6 | 10% | 0.101 | 33% | 0.325 | C | S | . | . | trans | -127.1 | 80.9 | -177.8 | -60.8 | -97.5 | 0 | 0 | 0 | 110 | Y404 A408 D413 K417 V422 | Y404-F420 HydrophobicContact CD2-CD1 4.16Å; Y404-F420 HydrophobicContact CD2-CE1 4.12Å; Y404-F420 HydrophobicContact CE1-CD1 4.16Å; Y404-F420 AromaticContact CE2-CD1 3.63Å; Y404-F420 HydrophobicContact CE2-CD1 3.63Å; Y404-F420 AromaticContact CE2-CE1 3.92Å; Y404-F420 HydrophobicContact CE2-CE1 3.92Å; Y404-F420 AromaticContact CZ-CD1 3.62Å; A408-F420 HydrophobicContact CB-CB 3.57Å; A408-F420 HydrophobicContact CB-CD1 3.77Å; A408-F420 HydrophobicContact CB-CG 3.76Å; D413-F420 HydrophobicContact CB-CZ 4.04Å; K417-F420 HydrophobicContact CB-CE2 4.29Å; K417-F420 HydrophobicContact CB-CZ 3.86Å; K417-F420 HydrophobicContact CD-CD1 4.34Å; K417-F420 HydrophobicContact CD-CE1 3.77Å; K417-F420 HydrophobicContact CD-CE2 4.48Å; K417-F420 HydrophobicContact CD-CZ 3.84Å; K417-F420 HydrophobicContact CG-CE1 4.16Å; K417-F420 HydrophobicContact CG-CE2 3.97Å; K417-F420 HydrophobicContact CG-CZ 3.72Å; K417-F420 WeakPolarHBondContact O-CE2 3.23Å; F420-V422 PolarHBondContact O-N 3.06Å | ||
| 421 | P | 96 | Very high | 97.4 | Very high | 42 Ų | 42 | 54.2 Ų | 54.2 | 27% | 0.273 | 30% | 0.297 | S | S | . | . | trans | -73.8 | -10 | -172.1 | -15.8 | 31 | 0 | 0 | 0 | 114.6 | K361 V419 | K361-P421 PolarHBondContact NZ-O 3.38Å; V419-P421 HydrophobicContact CG1-CG 3.93Å | ||
| 422 | V | 97.7 | Very high | 97.5 | Very high | 7 Ų | 7 | 49.9 Ų | 49.9 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | trans | -148.1 | 165.8 | 179.5 | -58.1 | 0 | 0 | 0 | 0 | 109.4 | E357 I358 Y404 F420 F424 | E357-V422 HydrophobicContact CB-CG1 4.07Å; E357-V422 HydrophobicContact CG-CG1 3.92Å; I358-V422 HydrophobicContact CD1-CG2 3.78Å; I358-V422 HydrophobicContact CG1-CG1 4Å; I358-V422 HydrophobicContact CG1-CG2 3.93Å; Y404-V422 VanDerWaalsContact CE1-O 3.24Å; Y404-V422 WeakPolarHBondContact CE1-O 3.42Å; Y404-V422 PolarHBondContact OH-O 3.41Å; Y404-V422 VanDerWaalsContact OH-O 3.13Å; F420-V422 PolarHBondContact O-N 3.06Å; V422-F424 HydrophobicContact CG2-CE2 4.07Å; V422-F424 HydrophobicContact CG2-CZ 4.29Å | ||
| 423 | T | 98 | Very high | 97.6 | Very high | 65 Ų | 65 | 44.8 Ų | 44.8 | 40% | 0.399 | 25% | 0.251 | S | S | . | . | trans | -112.9 | 167.8 | 164.9 | 51.1 | 0 | 0 | 0 | 0 | 110.3 | N355 N405 A408 | N355-T423 PolarHBondContact ND2-O 3.19Å; N405-T423 WeakPolarHBondContact OD1-CA 3.4Å; N405-T423 VanDerWaalsContact OD1-CB 3.22Å; N405-T423 WeakPolarHBondContact OD1-CB 3.48Å; A408-T423 HydrophobicContact CB-CG2 4.23Å | ||
| 424 | F | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | trans | -122.9 | 118.9 | 177.1 | -69 | -90.4 | 0 | 0 | 0 | 111.7 | G310 I312 V353 N355 I358 L401 Y404 N405 V422 E428 L430 | G310-F424 WeakPolarHBondContact O-CE2 3.49Å; G310-F424 WeakPolarHBondContact O-CZ 3.43Å; I312-F424 HydrophobicContact CD1-CD2 4.35Å; I312-F424 HydrophobicContact CD1-CE2 4.16Å; I312-F424 HydrophobicContact CD1-CZ 4.35Å; I312-F424 HydrophobicContact CG1-CE2 4.25Å; I312-F424 HydrophobicContact CG1-CZ 4.12Å; I312-F424 HydrophobicContact CG2-CE2 3.79Å; I312-F424 HydrophobicContact CG2-CZ 4.26Å; V353-F424 HydrophobicContact CG1-CE1 4.38Å; N355-F424 HydrophobicContact CB-CD1 4.14Å; N355-F424 HydrophobicContact CB-CE1 4.08Å; I358-F424 HydrophobicContact CD1-CE1 4.28Å; I358-F424 HydrophobicContact CD1-CZ 3.83Å; L401-F424 HydrophobicContact CB-CB 4.39Å; L401-F424 HydrophobicContact CD1-CB 4.43Å; L401-F424 HydrophobicContact CD2-CB 3.84Å; L401-F424 HydrophobicContact CD2-CG 4.2Å; L401-F424 HydrophobicContact CG-CB 4.43Å; Y404-F424 AromaticContact CD1-CD2 3.7Å; Y404-F424 HydrophobicContact CD1-CD2 3.7Å; Y404-F424 HydrophobicContact CD1-CE2 4.25Å; Y404-F424 AromaticContact CE1-CD2 3.61Å; Y404-F424 HydrophobicContact CE1-CD2 3.61Å; Y404-F424 AromaticContact CE1-CE2 3.82Å; Y404-F424 HydrophobicContact CE1-CE2 3.82Å; Y404-F424 HydrophobicContact CG-CD2 4.41Å; Y404-F424 AromaticContact CZ-CE2 3.98Å; N405-F424 PolarHBondContact ND2-O 3.03Å; N405-F424 PolarHBondContact OD1-N 2.98Å; V422-F424 HydrophobicContact CG2-CE2 4.07Å; V422-F424 HydrophobicContact CG2-CZ 4.29Å; F424-E428 WeakPolarHBondContact CA-OE1 3.34Å; F424-L430 HydrophobicContact CD1-CD2 3.76Å; F424-L430 HydrophobicContact CE1-CD2 4.36Å | ||
| 425 | L | 97.9 | Very high | 97.8 | Very high | 102 Ų | 102 | 41.2 Ų | 41.2 | 53% | 0.534 | 22% | 0.222 | S | C | . | . | trans | -90.7 | 147.7 | 179.2 | -57.9 | 179.5 | 0 | 0 | 0 | 111.5 | N427 E428 | L425-N427 VanDerWaalsContact C-N 3.31Å; L425-N427 PolarHBondContact O-N 2.93Å; L425-E428 HydrophobicContact CB-CB 4.13Å; L425-E428 HydrophobicContact CB-CG 4.11Å; L425-E428 PolarHBondContact N-OE1 3.23Å; L425-E428 WeakPolarHBondContact O-CG 3.42Å | ||
| 426 | W | 97.9 | Very high | 97.8 | Very high | 69 Ų | 69 | 37.2 Ų | 37.2 | 26% | 0.261 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -38.3 | 177.8 | -177.7 | -106.9 | 0 | 0 | 0 | 112.7 | N382 G383 N394 I397 Y398 L401 | N382-W426 WeakPolarHBondContact CA-O 3.31Å; N382-W426 VanDerWaalsContact CB-O 3.26Å; N382-W426 WeakPolarHBondContact CB-O 3.34Å; G383-W426 VanDerWaalsContact C-CH2 3.49Å; G383-W426 PolarHBondContact N-O 2.99Å; N394-W426 HydrophobicContact CB-CH2 4.19Å; I397-W426 HydrophobicContact CB-CZ3 4.27Å; I397-W426 HydrophobicContact CG2-CZ3 3.96Å; Y398-W426 VanDerWaalsContact CA-CZ3 3.46Å; Y398-W426 AromaticContact CD2-CD2 3.82Å; Y398-W426 HydrophobicContact CD2-CD2 3.82Å; Y398-W426 AromaticContact CD2-CE3 3.64Å; Y398-W426 HydrophobicContact CD2-CE3 3.64Å; Y398-W426 HydrophobicContact CD2-CG 4.28Å; Y398-W426 HydrophobicContact CD2-CZ3 4.04Å; Y398-W426 HydrophobicContact CG-CE3 4.32Å; Y398-W426 HydrophobicContact CG-CZ3 4.33Å; L401-W426 HydrophobicContact CD1-CE3 4.48Å |
| 427 | N | 98 | Very high | 98 | Very high | 134 Ų | 134 | 35.6 Ų | 35.6 | 72% | 0.717 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101 | 24.6 | -174.9 | -68.1 | -32.2 | 0 | 0 | 0 | 113.8 | L425 | L425-N427 VanDerWaalsContact C-N 3.31Å; L425-N427 PolarHBondContact O-N 2.93Å |
| 428 | E | 97.9 | Very high | 98 | Very high | 34 Ų | 34 | 35.5 Ų | 35.5 | 16% | 0.159 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -102.6 | 160.2 | 173 | 77.6 | 177.1 | 137.8 | 0 | 0 | 112.7 | N355 A381 N382 F424 L425 L430 | N355-E428 WeakPolarHBondContact CB-OE2 3.25Å; N355-E428 PolarHBondContact ND2-OE1 2.91Å; N355-E428 PolarHBondContact ND2-OE2 2.95Å; A381-E428 CarbonylContact C-O 3.45Å; A381-E428 CarbonylContact O-C 3.55Å; N382-E428 WeakPolarHBondContact CA-O 3.46Å; F424-E428 WeakPolarHBondContact CA-OE1 3.34Å; L425-E428 HydrophobicContact CB-CB 4.13Å; L425-E428 HydrophobicContact CB-CG 4.11Å; L425-E428 PolarHBondContact N-OE1 3.23Å; L425-E428 WeakPolarHBondContact O-CG 3.42Å; E428-L430 HydrophobicContact CG-CD2 3.78Å; E428-L430 HydrophobicContact CG-CG 4.38Å; E428-L430 PolarHBondContact O-N 2.91Å |
| 429 | T | 98.4 | Very high | 98.1 | Very high | 50 Ų | 50 | 31.4 Ų | 31.4 | 31% | 0.307 | 16% | 0.163 | S | C | . | . | trans | -68.1 | 127 | 170.4 | -52.8 | 0 | 0 | 0 | 0 | 110.5 | V380 Y431 | V380-T429 WeakPolarHBondContact O-CA 3.35Å; T429-Y431 HydrophobicContact CG2-CE1 4.45Å; T429-Y431 HydrophobicContact CG2-CE2 4.35Å | ||
| 430 | L | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 154.5 | 175 | -56.7 | 174.5 | 0 | 0 | 0 | 109.6 | V353 N355 D379 V380 L386 L401 F424 E428 | V353-L430 HydrophobicContact CG1-CB 4.33Å; V353-L430 HydrophobicContact CG1-CD1 4.46Å; N355-L430 HydrophobicContact CB-CD2 3.99Å; D379-L430 WeakPolarHBondContact CA-O 3.4Å; V380-L430 HydrophobicContact CG2-CB 3.82Å; V380-L430 PolarHBondContact N-O 2.91Å; V380-L430 PolarHBondContact O-N 3.03Å; L386-L430 HydrophobicContact CB-CD1 4.39Å; L386-L430 HydrophobicContact CD2-CD1 3.73Å; L401-L430 HydrophobicContact CD1-CD1 4.17Å; F424-L430 HydrophobicContact CD1-CD2 3.76Å; F424-L430 HydrophobicContact CE1-CD2 4.36Å; E428-L430 HydrophobicContact CG-CD2 3.78Å; E428-L430 HydrophobicContact CG-CG 4.38Å; E428-L430 PolarHBondContact O-N 2.91Å |
| 431 | Y | 98.7 | Very high | 98.2 | Very high | 15 Ų | 15 | 29.7 Ų | 29.7 | 6% | 0.059 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 128.5 | 174.4 | -51.6 | -93.4 | 0 | 0 | 0 | 108.5 | V353 V354 N356 F367 W371 K378 D379 T429 | V353-Y431 WeakPolarHBondContact CA-O 3.38Å; V354-Y431 HydrophobicContact CG2-CD2 4.23Å; V354-Y431 HydrophobicContact CG2-CG 4.42Å; V354-Y431 PolarHBondContact N-O 2.85Å; V354-Y431 PolarHBondContact O-N 3.45Å; N356-Y431 VanDerWaalsContact OD1-CE2 3.24Å; N356-Y431 WeakPolarHBondContact OD1-CE2 3.42Å; N356-Y431 PolarHBondContact OD1-OH 3.25Å; F367-Y431 AromaticContact CE1-CD1 3.76Å; F367-Y431 HydrophobicContact CE1-CD1 3.76Å; F367-Y431 AromaticContact CE1-CD2 3.94Å; F367-Y431 HydrophobicContact CE1-CD2 3.94Å; F367-Y431 AromaticContact CE1-CE1 3.86Å; F367-Y431 HydrophobicContact CE1-CE1 3.86Å; F367-Y431 HydrophobicContact CE1-CE2 4.04Å; F367-Y431 AromaticContact CE1-CG 3.8Å; F367-Y431 HydrophobicContact CE1-CG 3.8Å; F367-Y431 AromaticContact CZ-CD1 3.87Å; F367-Y431 HydrophobicContact CZ-CD1 3.87Å; F367-Y431 AromaticContact CZ-CD2 3.77Å; F367-Y431 HydrophobicContact CZ-CD2 3.77Å; F367-Y431 HydrophobicContact CZ-CE1 4.42Å; F367-Y431 HydrophobicContact CZ-CE2 4.34Å; F367-Y431 AromaticContact CZ-CG 3.52Å; F367-Y431 HydrophobicContact CZ-CG 3.52Å; W371-Y431 HydrophobicContact CD2-CD1 4.09Å; W371-Y431 AromaticContact CD2-CE1 3.81Å; W371-Y431 HydrophobicContact CD2-CE1 3.81Å; W371-Y431 AromaticContact CE2-CD1 3.98Å; W371-Y431 AromaticContact CE2-CE1 3.68Å; W371-Y431 AromaticContact CE3-CE1 3.87Å; W371-Y431 HydrophobicContact CE3-CE1 3.87Å; W371-Y431 HydrophobicContact CG-CD1 4.39Å; W371-Y431 AromaticContact CH2-CE1 3.69Å; W371-Y431 HydrophobicContact CH2-CE1 3.69Å; W371-Y431 HydrophobicContact CZ2-CD1 4.31Å; W371-Y431 AromaticContact CZ2-CE1 3.63Å; W371-Y431 HydrophobicContact CZ2-CE1 3.63Å; W371-Y431 AromaticContact CZ3-CE1 3.82Å; W371-Y431 HydrophobicContact CZ3-CE1 3.82Å; K378-Y431 CarbonylContact O-C 3.52Å; K378-Y431 WeakPolarHBondContact O-CA 3.49Å; D379-Y431 HydrophobicContact CB-CD1 3.83Å; D379-Y431 HydrophobicContact CB-CE1 3.88Å; T429-Y431 HydrophobicContact CG2-CE1 4.45Å; T429-Y431 HydrophobicContact CG2-CE2 4.35Å |
| 432 | V | 98.6 | Very high | 98.3 | Very high | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.018 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 131.6 | -178.1 | 58.3 | 0 | 0 | 0 | 0 | 110.5 | F351 L352 V353 F377 K378 V380 L386 H389 | F351-V432 HydrophobicContact CB-CG2 4Å; F351-V432 HydrophobicContact CD1-CG2 3.92Å; F351-V432 HydrophobicContact CG-CG2 4.41Å; L352-V432 WeakPolarHBondContact O-CA 3.21Å; V353-V432 HydrophobicContact CG2-CB 4.46Å; V353-V432 HydrophobicContact CG2-CG2 4.21Å; F377-V432 CarbonylContact C-O 3.55Å; F377-V432 WeakPolarHBondContact CA-O 3.42Å; K378-V432 HydrophobicContact CB-CG1 4.19Å; K378-V432 PolarHBondContact N-O 2.08Å; K378-V432 PolarHBondContact O-N 2.93Å; V380-V432 HydrophobicContact CG1-CG1 4.48Å; L386-V432 HydrophobicContact CD1-CB 3.89Å; L386-V432 HydrophobicContact CD1-CG1 4.09Å; L386-V432 HydrophobicContact CD1-CG2 4.13Å; H389-V432 VanDerWaalsContact CD2-CG1 3.4Å; H389-V432 WeakPolarHBondContact CD2-CG1 3.48Å |
| 433 | A | 98.6 | Very high | 98.3 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 2% | 0.017 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 149.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | F288 F351 L352 F376 F377 | F288-A433 HydrophobicContact CD1-CB 3.94Å; F288-A433 HydrophobicContact CE1-CB 3.74Å; F351-A433 CarbonylContact C-O 3.5Å; F351-A433 WeakPolarHBondContact CA-O 3.34Å; L352-A433 PolarHBondContact N-O 3.45Å; L352-A433 PolarHBondContact O-N 2.88Å; F376-A433 WeakPolarHBondContact O-CA 3.37Å; F376-A433 WeakPolarHBondContact O-CB 3.31Å; F377-A433 HydrophobicContact CD1-CB 3.55Å; F377-A433 HydrophobicContact CD2-CB 4.41Å; F377-A433 HydrophobicContact CE1-CB 3.51Å; F377-A433 HydrophobicContact CE2-CB 4.38Å; F377-A433 HydrophobicContact CG-CB 4.01Å; F377-A433 HydrophobicContact CZ-CB 3.95Å |
| 434 | R | 98.6 | Very high | 98.3 | Very high | 66 Ų | 66 | 24.4 Ų | 24.4 | 25% | 0.249 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 132.4 | 170.7 | -67.4 | 173.9 | 60 | -160.9 | -5 | 109.3 | V289 D342 V345 V349 F351 | V289-R434 HydrophobicContact CB-CB 3.91Å; V289-R434 HydrophobicContact CG2-CB 4.3Å; V289-R434 PolarHBondContact N-O 3.12Å; D342-R434 IonicContact OD2-CZ 3.65Å; D342-R434 IonicContact OD2-NH1 3.39Å; D342-R434 IonicContact OD2-NH2 3.96Å; D342-R434 PolarHBondContact OD2-NH2 3.2Å; V345-R434 VanDerWaalsContact CG2-NH2 3.29Å; V349-R434 HydrophobicContact CG1-CB 3.92Å; V349-R434 HydrophobicContact CG1-CG 4.24Å; F351-R434 HydrophobicContact CD1-CG 4.03Å; F351-R434 HydrophobicContact CE1-CG 3.84Å |
| 435 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 149 | -179.1 | -63.2 | 0 | 0 | 0 | 0 | 111.4 | T286 G287 F288 A302 L313 V349 A350 L352 | T286-V435 HydrophobicContact CG2-CB 4.2Å; T286-V435 HydrophobicContact CG2-CG2 3.88Å; G287-V435 CarbonylContact O-C 3.15Å; G287-V435 VanDerWaalsContact O-CA 3.25Å; G287-V435 WeakPolarHBondContact O-CA 3.13Å; F288-V435 HydrophobicContact CD1-CG1 4.15Å; A302-V435 HydrophobicContact CB-CG1 4.17Å; L313-V435 HydrophobicContact CD2-CG2 3.92Å; V349-V435 CarbonylContact C-O 3.6Å; V349-V435 WeakPolarHBondContact CA-O 3.4Å; A350-V435 HydrophobicContact CB-CG2 4.04Å; A350-V435 PolarHBondContact N-O 3.34Å; A350-V435 PolarHBondContact O-N 3.46Å; L352-V435 HydrophobicContact CB-CG1 3.96Å; L352-V435 HydrophobicContact CB-CG2 4.18Å; L352-V435 HydrophobicContact CD2-CG1 4.33Å |
| 436 | T | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 19.5 Ų | 19.5 | 1% | 0.012 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 154.6 | 179.1 | -175.6 | 0 | 0 | 0 | 0 | 110.1 | P253 P285 G287 V289 K299 V345 S348 V438 | P253-T436 HydrophobicContact CG-CG2 4.26Å; P285-T436 CarbonylContact O-C 3.57Å; G287-T436 PolarHBondContact N-O 3.1Å; G287-T436 PolarHBondContact O-N 3.46Å; V289-T436 HydrophobicContact CG2-CG2 3.9Å; K299-T436 HydrophobicContact CD-CG2 3.7Å; V345-T436 HydrophobicContact CG1-CG2 3.81Å; S348-T436 PolarHBondContact O-OG1 2.96Å; T436-V438 HydrophobicContact CG2-CG1 4.45Å |
| 437 | P | 98.5 | Very high | 98.4 | Very high | 3 Ų | 3 | 17.4 Ų | 17.4 | 2% | 0.019 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 141 | 169.6 | -27.2 | 37.4 | 0 | 0 | 0 | 112.3 | F252 H284 T332 I335 S348 | F252-P437 HydrophobicContact CE1-CB 4.26Å; H284-P437 WeakPolarHBondContact O-CA 3.29Å; T332-P437 HydrophobicContact CG2-CB 3.7Å; T332-P437 HydrophobicContact CG2-CG 3.84Å; I335-P437 HydrophobicContact CB-CG 4.26Å; I335-P437 HydrophobicContact CD1-CG 4.47Å; I335-P437 HydrophobicContact CG2-CG 3.99Å; S348-P437 WeakPolarHBondContact O-CD 3.26Å |
| 438 | V | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 140.2 | -177.5 | -75.8 | 0 | 0 | 0 | 0 | 111.1 | P253 T255 L283 H284 K299 T436 H440 | P253-V438 HydrophobicContact CB-CG1 4.07Å; P253-V438 HydrophobicContact CG-CG1 3.79Å; P253-V438 CarbonylContact O-C 3.58Å; P253-V438 WeakPolarHBondContact O-CA 3.32Å; T255-V438 HydrophobicContact CG2-CB 4.05Å; T255-V438 HydrophobicContact CG2-CG2 3.55Å; L283-V438 CarbonylContact C-O 3.15Å; L283-V438 VanDerWaalsContact CA-O 3.31Å; L283-V438 WeakPolarHBondContact CA-O 3.37Å; H284-V438 HydrophobicContact CB-CG2 4.03Å; H284-V438 PolarHBondContact N-O 3.39Å; H284-V438 WeakPolarHBondContact O-CG2 3.39Å; H284-V438 PolarHBondContact O-N 3.21Å; K299-V438 HydrophobicContact CB-CG1 4.08Å; K299-V438 HydrophobicContact CD-CG1 3.97Å; K299-V438 HydrophobicContact CG-CG1 4.44Å; T436-V438 HydrophobicContact CG2-CG1 4.45Å; V438-H440 PolarHBondContact O-N 3.47Å |
| 439 | I | 98.2 | Very high | 98.4 | Very high | 2 Ų | 2 | 11.2 Ų | 11.2 | 1% | 0.01 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 124.4 | 168.8 | -54.8 | 175.3 | 0 | 0 | 0 | 108.4 | I242 L249 F252 P253 T254 T255 N256 L281 L283 | I242-I439 HydrophobicContact CD1-CD1 4.28Å; L249-I439 HydrophobicContact CB-CD1 4Å; F252-I439 HydrophobicContact CB-CD1 4.02Å; F252-I439 HydrophobicContact CB-CG1 3.82Å; P253-I439 PolarHBondContact O-N 2.95Å; T254-I439 CarbonylContact C-O 3.59Å; T254-I439 VanDerWaalsContact CA-O 3.26Å; T254-I439 WeakPolarHBondContact CA-O 3.11Å; T254-I439 PolarHBondContact OG1-O 2.8Å; T254-I439 VanDerWaalsContact OG1-O 3.08Å; T255-I439 PolarHBondContact N-O 3.18Å; N256-I439 PolarHBondContact ND2-O 3.28Å; L281-I439 HydrophobicContact CB-CG2 4.13Å; L281-I439 HydrophobicContact CD2-CG2 3.73Å; L283-I439 HydrophobicContact CD2-CB 4.46Å; L283-I439 HydrophobicContact CD2-CG1 3.87Å |
| 440 | H | 97.8 | Very high | 98.4 | Very high | 25 Ų | 25 | 11.4 Ų | 11.4 | 12% | 0.116 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | -36.6 | -170.3 | -170.6 | 56.6 | 0 | 0 | 0 | 113.9 | T255 N256 Q282 H284 V438 R480 | T255-H440 PolarHBondContact OG1-ND1 2.76Å; N256-H440 PolarHBondContact ND2-O 2.85Å; Q282-H440 PolarHBondContact O-N 2.78Å; Q282-H440 PolarHBondContact OE1-CD2 2.92Å; H284-H440 HydrophobicContact CB-CB 3.65Å; V438-H440 PolarHBondContact O-N 3.47Å; H440-R480 PolarHBondContact CD2-NH2 2.89Å; H440-R480 PolarHBondContact NE2-NH2 3.18Å |
| 441 | Y | 98 | Very high | 98.4 | Very high | 2 Ų | 2 | 14.3 Ų | 14.3 | 1% | 0.008 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 141.3 | -175.7 | -163.8 | -102.7 | 0 | 0 | 0 | 112.4 | L281 Q282 M443 E470 H476 R480 E488 | L281-Y441 CarbonylContact C-O 3.56Å; L281-Y441 WeakPolarHBondContact CA-O 3.46Å; Q282-Y441 PolarHBondContact N-O 2.93Å; Y441-M443 HydrophobicContact CD1-SD 3.68Å; Y441-E470 HydrophobicContact CD1-CG 4.49Å; Y441-E470 HydrophobicContact CD2-CG 3.78Å; Y441-E470 VanDerWaalsContact CD2-OE1 3.3Å; Y441-E470 WeakPolarHBondContact CD2-OE1 3.38Å; Y441-E470 WeakPolarHBondContact CD2-OE2 3.42Å; Y441-E470 HydrophobicContact CE1-CG 4.05Å; Y441-E470 HydrophobicContact CE2-CB 3.65Å; Y441-E470 HydrophobicContact CE2-CG 3.35Å; Y441-E470 WeakPolarHBondContact CE2-OE2 3.14Å; Y441-E470 HydrophobicContact CG-CG 4.4Å; Y441-E470 VanDerWaalsContact CZ-CG 3.48Å; Y441-E470 WeakPolarHBondContact OH-CA 3.34Å; Y441-E470 WeakPolarHBondContact OH-CB 3.19Å; Y441-H476 AromaticContact CE1-CD2 3.55Å; Y441-R480 HydrophobicContact CD1-CB 4.43Å; Y441-E488 PolarHBondContact OH-OE2 2.81Å |
| 442 | S | 98 | Very high | 98.4 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 112 | 169.1 | -70.2 | 0 | 0 | 0 | 0 | 110.1 | Y232 S233 E470 | Y232-S442 VanDerWaalsContact CD1-OG 3.31Å; Y232-S442 WeakPolarHBondContact CD1-OG 3.47Å; Y232-S442 WeakPolarHBondContact CE1-OG 3.39Å; Y232-S442 PolarHBondContact N-OG 2.88Å; S233-S442 PolarHBondContact N-OG 2.67Å; S233-S442 PolarHBondContact OG-N 3.2Å; S233-S442 PolarHBondContact OG-OG 3.38Å; S442-E470 PolarHBondContact N-OE1 3.31Å |
| 443 | M | 98.1 | Very high | 98.4 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.01 | 9% | 0.085 | C | C | . | . | trans | -81.2 | -33.5 | -178.2 | -54.6 | -59.2 | -59.1 | 0 | 0 | 111.9 | R280 Q282 Y441 H476 G477 R480 | R280-M443 HydrophobicContact CB-CB 3.6Å; R280-M443 HydrophobicContact CB-CG 4.02Å; R280-M443 VanDerWaalsContact O-CB 3.24Å; R280-M443 WeakPolarHBondContact O-CB 3.43Å; R280-M443 PolarHBondContact O-N 3.36Å; Q282-M443 HydrophobicContact CB-CG 4.36Å; Q282-M443 HydrophobicContact CB-SD 3.79Å; Y441-M443 HydrophobicContact CD1-SD 3.68Å; M443-H476 HydrophobicContact CE-CB 3.21Å; M443-H476 HydrophobicContact SD-CB 4.47Å; M443-G477 WeakPolarHBondContact CB-O 3.28Å; M443-G477 VanDerWaalsContact CE-O 3.26Å; M443-G477 WeakPolarHBondContact CE-O 3.32Å; M443-R480 HydrophobicContact CE-CB 3.93Å; M443-R480 HydrophobicContact SD-CB 3.81Å | ||
| 444 | G | 97.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.084 | C | C | . | . | trans | -88.6 | 162 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y232 I276 D277 | Y232-G444 WeakPolarHBondContact CE1-O 3.36Å; I276-G444 CarbonylContact O-C 3.57Å; I276-G444 WeakPolarHBondContact O-CA 3.45Å; D277-G444 VanDerWaalsContact C-CA 3.48Å; D277-G444 VanDerWaalsContact O-CA 3.25Å; D277-G444 WeakPolarHBondContact O-CA 3.48Å; D277-G444 PolarHBondContact O-N 3Å | ||
| 445 | G | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.5 | -155.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L275 I276 M278 V471 | L275-G445 VanDerWaalsContact CA-O 3.31Å; L275-G445 WeakPolarHBondContact CA-O 3.44Å; I276-G445 PolarHBondContact N-O 3.21Å; I276-G445 PolarHBondContact O-N 3.45Å; M278-G445 PolarHBondContact SD-N 2.96Å; G445-V471 WeakPolarHBondContact CA-O 3.43Å |
| 446 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 131.8 | -178.6 | -56.7 | 166.7 | 0 | 0 | 0 | 110.3 | L227 I265 A268 A273 L275 V454 A467 V471 T472 G473 | L227-I446 HydrophobicContact CD1-CD1 3.83Å; I265-I446 HydrophobicContact CG1-CG1 4.23Å; A268-I446 HydrophobicContact CB-CD1 3.38Å; A268-I446 HydrophobicContact CB-CG1 3.75Å; A273-I446 HydrophobicContact CB-CG2 4.27Å; L275-I446 HydrophobicContact CD2-CG1 4.2Å; I446-V454 HydrophobicContact CG2-CB 4.2Å; I446-V454 HydrophobicContact CG2-CG1 3.54Å; I446-V454 HydrophobicContact CG2-CG2 3.69Å; I446-A467 HydrophobicContact CB-CB 4.34Å; I446-A467 HydrophobicContact CD1-CB 4.06Å; I446-A467 HydrophobicContact CG2-CB 4.26Å; I446-V471 HydrophobicContact CD1-CG1 4.43Å; I446-V471 HydrophobicContact CD1-CG2 3.78Å; I446-V471 PolarHBondContact N-O 2.8Å; I446-T472 CarbonylContact O-C 3.55Å; I446-T472 VanDerWaalsContact O-CA 3.28Å; I446-T472 WeakPolarHBondContact O-CA 3.46Å; I446-T472 WeakPolarHBondContact O-CB 3.38Å; I446-G473 PolarHBondContact O-N 3.44Å |
| 447 | V | 98.8 | Very high | 98.1 | Very high | 26 Ų | 26 | 23.3 Ų | 23.3 | 16% | 0.158 | 11% | 0.114 | C | C | . | . | trans | -75.5 | 128 | 172.5 | 178.1 | 0 | 0 | 0 | 0 | 110 | K274 I276 I455 | K274-V447 HydrophobicContact CB-CB 4.19Å; K274-V447 HydrophobicContact CB-CG2 4.13Å; K274-V447 HydrophobicContact CD-CG2 4.22Å; K274-V447 HydrophobicContact CG-CB 4.45Å; K274-V447 HydrophobicContact CG-CG2 3.91Å; K274-V447 WeakPolarHBondContact O-CG2 3.46Å; K274-V447 PolarHBondContact O-N 3.33Å; I276-V447 HydrophobicContact CB-CG2 3.68Å; I276-V447 HydrophobicContact CG2-CG2 3.68Å; V447-I455 HydrophobicContact CG1-CB 4.11Å; V447-I455 HydrophobicContact CG1-CG1 4.35Å; V447-I455 PolarHBondContact O-N 3.3Å | ||
| 448 | T | 98.8 | Very high | 98 | Very high | 6 Ų | 6 | 28.5 Ų | 28.5 | 4% | 0.037 | 14% | 0.142 | C | C | . | . | B | Isolated β-bridge | trans | -123.2 | 158.6 | 172 | 67.3 | 0 | 0 | 0 | 0 | 111.5 | R453 V454 A467 T472 | T448-R453 WeakPolarHBondContact CA-O 3.11Å; T448-R453 WeakPolarHBondContact CB-O 3.46Å; T448-V454 HydrophobicContact CG2-CG2 4.45Å; T448-A467 HydrophobicContact CG2-CB 3.92Å; T448-T472 HydrophobicContact CG2-CG2 3.86Å |
| 449 | D | 98.3 | Very high | 97.9 | Very high | 31 Ų | 31 | 31.1 Ų | 31.1 | 17% | 0.166 | 17% | 0.169 | C | C | . | . | trans | -80.7 | -174.8 | 162.5 | 69.3 | 9.6 | 0 | 0 | 0 | 111.7 | N451 M452 R453 I455 | D449-N451 PolarHBondContact O-N 3.39Å; D449-N451 VanDerWaalsContact OD1-C 3.31Å; D449-N451 VanDerWaalsContact OD1-CA 3.29Å; D449-N451 WeakPolarHBondContact OD1-CA 3.35Å; D449-N451 WeakPolarHBondContact OD1-CB 3.44Å; D449-N451 PolarHBondContact OD1-N 3.47Å; D449-M452 WeakPolarHBondContact O-CE 3.36Å; D449-M452 PolarHBondContact O-N 3.34Å; D449-M452 VanDerWaalsContact O-N 3.1Å; D449-M452 PolarHBondContact OD1-N 3.29Å; D449-M452 VanDerWaalsContact OD1-N 3.1Å; D449-R453 PolarHBondContact N-O 3.38Å; D449-R453 VanDerWaalsContact N-O 3.13Å; D449-R453 PolarHBondContact OD1-N 3.3Å; D449-R453 IonicContact OD1-NE 3.77Å; D449-R453 IonicContact OD2-CZ 3.1Å; D449-R453 IonicContact OD2-NE 2.73Å; D449-R453 PolarHBondContact OD2-NE 2.74Å; D449-R453 IonicContact OD2-NH2 2.66Å; D449-R453 PolarHBondContact OD2-NH2 3.24Å; D449-I455 HydrophobicContact CB-CD1 4.19Å | ||
| 450 | T | 97.9 | Very high | 97.8 | Very high | 55 Ų | 55 | 34.2 Ų | 34.2 | 34% | 0.337 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -6.9 | 177.9 | 52.8 | 0 | 0 | 0 | 0 | 114.1 | L110 L111 L114 L495 | L110-T450 HydrophobicContact CB-CG2 3.72Å; L110-T450 HydrophobicContact CD1-CG2 4.44Å; L111-T450 HydrophobicContact CD2-CG2 4.37Å; L114-T450 WeakPolarHBondContact CD2-O 3.12Å; T450-L495 WeakPolarHBondContact O-CD2 3.26Å |
| 451 | N | 98 | Very high | 97.8 | Very high | 60 Ų | 60 | 36 Ų | 36 | 32% | 0.321 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 8.5 | 172.5 | -68.9 | -37.7 | 0 | 0 | 0 | 112 | D449 R453 N499 | D449-N451 PolarHBondContact O-N 3.39Å; D449-N451 VanDerWaalsContact OD1-C 3.31Å; D449-N451 VanDerWaalsContact OD1-CA 3.29Å; D449-N451 WeakPolarHBondContact OD1-CA 3.35Å; D449-N451 WeakPolarHBondContact OD1-CB 3.44Å; D449-N451 PolarHBondContact OD1-N 3.47Å; N451-R453 HydrophobicContact CB-CG 4.31Å; N451-R453 PolarHBondContact O-N 2.62Å; N451-N499 WeakPolarHBondContact CA-ND2 3.35Å; N451-N499 WeakPolarHBondContact CB-ND2 3.31Å; N451-N499 PolarHBondContact O-ND2 2.86Å |
| 452 | M | 98.7 | Very high | 97.8 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 3% | 0.03 | 21% | 0.207 | C | C | . | . | trans | 64.9 | 17.5 | -178.6 | -50.2 | -63.4 | 105.7 | 0 | 0 | 114.2 | L111 L114 D449 Y466 A467 S492 L495 A496 | L111-M452 HydrophobicContact CD2-CE 3.83Å; L114-M452 HydrophobicContact CD2-CE 3.86Å; D449-M452 WeakPolarHBondContact O-CE 3.36Å; D449-M452 PolarHBondContact O-N 3.34Å; D449-M452 VanDerWaalsContact O-N 3.1Å; D449-M452 PolarHBondContact OD1-N 3.29Å; D449-M452 VanDerWaalsContact OD1-N 3.1Å; M452-Y466 WeakPolarHBondContact O-CA 3.37Å; M452-Y466 WeakPolarHBondContact O-CB 3.34Å; M452-A467 PolarHBondContact O-N 2.93Å; M452-A467 VanDerWaalsContact O-N 3.07Å; M452-S492 WeakPolarHBondContact SD-CB 3.49Å; M452-L495 HydrophobicContact CE-CD2 4.38Å; M452-L495 HydrophobicContact CG-CB 4.14Å; M452-L495 HydrophobicContact CG-CD2 4.25Å; M452-L495 HydrophobicContact CG-CG 4.22Å; M452-A496 HydrophobicContact CB-CB 3.63Å; M452-A496 HydrophobicContact CG-CB 4.02Å | ||
| 453 | R | 98.6 | Very high | 97.8 | Very high | 78 Ų | 78 | 41.8 Ų | 41.8 | 29% | 0.294 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 134.7 | 173.9 | -64.4 | 175.6 | -60.8 | -173.4 | 2.1 | 109.2 | T448 D449 N451 V461 Y466 | T448-R453 WeakPolarHBondContact CA-O 3.11Å; T448-R453 WeakPolarHBondContact CB-O 3.46Å; D449-R453 PolarHBondContact N-O 3.38Å; D449-R453 VanDerWaalsContact N-O 3.13Å; D449-R453 PolarHBondContact OD1-N 3.3Å; D449-R453 IonicContact OD1-NE 3.77Å; D449-R453 IonicContact OD2-CZ 3.1Å; D449-R453 IonicContact OD2-NE 2.73Å; D449-R453 PolarHBondContact OD2-NE 2.74Å; D449-R453 IonicContact OD2-NH2 2.66Å; D449-R453 PolarHBondContact OD2-NH2 3.24Å; N451-R453 HydrophobicContact CB-CG 4.31Å; N451-R453 PolarHBondContact O-N 2.62Å; R453-V461 HydrophobicContact CB-CG1 3.94Å; R453-V461 HydrophobicContact CB-CG2 4.18Å; R453-V461 HydrophobicContact CG-CG1 4.43Å; R453-Y466 HydrophobicContact CB-CE1 4.44Å; R453-Y466 HydrophobicContact CG-CD1 3.9Å; R453-Y466 HydrophobicContact CG-CE1 3.4Å; R453-Y466 VanDerWaalsContact CG-CE1 3.4Å |
| 454 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 133.1 | -179.6 | 173.9 | 0 | 0 | 0 | 0 | 110.6 | A273 I446 T448 V461 I462 L465 A467 | A273-V454 HydrophobicContact CB-CG1 3.51Å; I446-V454 HydrophobicContact CG2-CB 4.2Å; I446-V454 HydrophobicContact CG2-CG1 3.54Å; I446-V454 HydrophobicContact CG2-CG2 3.69Å; T448-V454 HydrophobicContact CG2-CG2 4.45Å; V454-V461 WeakPolarHBondContact O-CA 3.38Å; V454-I462 HydrophobicContact CG1-CD1 3.97Å; V454-I462 HydrophobicContact CG1-CG1 4.46Å; V454-I462 PolarHBondContact O-N 3.32Å; V454-L465 HydrophobicContact CB-CB 4.28Å; V454-L465 HydrophobicContact CB-CD2 3.94Å; V454-L465 HydrophobicContact CB-CG 3.93Å; V454-L465 HydrophobicContact CG1-CD2 3.91Å; V454-L465 HydrophobicContact CG1-CG 4.45Å; V454-L465 HydrophobicContact CG2-CB 4.44Å; V454-L465 HydrophobicContact CG2-CD2 4.05Å; V454-L465 HydrophobicContact CG2-CG 3.74Å; V454-L465 PolarHBondContact N-O 2.94Å; V454-A467 HydrophobicContact CG2-CB 3.76Å |
| 455 | I | 98.6 | Very high | 97.7 | Very high | 23 Ų | 23 | 42.1 Ų | 42.1 | 12% | 0.118 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 131 | -179.6 | -52.4 | -56.2 | 0 | 0 | 0 | 109.5 | K274 V447 D449 S460 V461 | K274-I455 WeakPolarHBondContact CB-O 3.47Å; K274-I455 PolarHBondContact N-O 3.43Å; V447-I455 HydrophobicContact CG1-CB 4.11Å; V447-I455 HydrophobicContact CG1-CG1 4.35Å; V447-I455 PolarHBondContact O-N 3.3Å; D449-I455 HydrophobicContact CB-CD1 4.19Å; I455-S460 WeakPolarHBondContact CA-O 3.1Å; I455-V461 HydrophobicContact CD1-CG2 3.75Å |
| 456 | N | 97.7 | Very high | 97.8 | Very high | 30 Ų | 30 | 42.4 Ų | 42.4 | 16% | 0.16 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -80.3 | 173.4 | 175.7 | 71 | 18.2 | 0 | 0 | 0 | 112.3 | G272 N458 G459 S460 I462 | G272-N456 VanDerWaalsContact O-CA 3.22Å; G272-N456 WeakPolarHBondContact O-CA 3.44Å; G272-N456 VanDerWaalsContact O-CB 3.28Å; G272-N456 WeakPolarHBondContact O-CB 3.3Å; N456-N458 PolarHBondContact O-N 3.32Å; N456-N458 VanDerWaalsContact O-N 3.14Å; N456-N458 WeakPolarHBondContact OD1-CA 3.39Å; N456-N458 WeakPolarHBondContact OD1-CB 3.47Å; N456-N458 PolarHBondContact OD1-N 3.04Å; N456-G459 PolarHBondContact O-N 3.01Å; N456-G459 PolarHBondContact OD1-N 2.86Å; N456-G459 VanDerWaalsContact OD1-N 3.16Å; N456-S460 VanDerWaalsContact CG-O 3.3Å; N456-S460 PolarHBondContact N-O 3.33Å; N456-S460 PolarHBondContact OD1-N 2.68Å; N456-S460 PolarHBondContact OD1-O 2.98Å; N456-I462 HydrophobicContact CB-CD1 3.99Å; N456-I462 HydrophobicContact CB-CG1 3.8Å |
| 457 | F | 94 | Very high | 97.8 | Very high | 141 Ų | 141 | 42.4 Ų | 42.4 | 62% | 0.618 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -23.7 | 179.8 | 64.7 | -89 | 0 | 0 | 0 | 114.1 | G272 G459 | G272-F457 WeakPolarHBondContact O-CD1 3.42Å; G272-F457 PolarHBondContact O-N 3.18Å; F457-G459 VanDerWaalsContact C-N 3.31Å |
| 458 | N | 95.3 | Very high | 97.8 | Very high | 111 Ų | 111 | 41.2 Ų | 41.2 | 59% | 0.594 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | 1 | 175.8 | -65.3 | -33 | 0 | 0 | 0 | 113.6 | N456 S460 | N456-N458 PolarHBondContact O-N 3.32Å; N456-N458 VanDerWaalsContact O-N 3.14Å; N456-N458 WeakPolarHBondContact OD1-CA 3.39Å; N456-N458 WeakPolarHBondContact OD1-CB 3.47Å; N456-N458 PolarHBondContact OD1-N 3.04Å; N458-S460 VanDerWaalsContact C-N 3.33Å |
| 459 | G | 96.4 | Very high | 97.8 | Very high | 55 Ų | 55 | 40.9 Ų | 40.9 | 57% | 0.567 | 23% | 0.225 | S | C | * | . | S | Bend | trans | 80.3 | 9.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | N456 F457 | N456-G459 PolarHBondContact O-N 3.01Å; N456-G459 PolarHBondContact OD1-N 2.86Å; N456-G459 VanDerWaalsContact OD1-N 3.16Å; F457-G459 VanDerWaalsContact C-N 3.31Å |
| 460 | S | 97.5 | Very high | 97.8 | Very high | 68 Ų | 68 | 40.4 Ų | 40.4 | 48% | 0.476 | 22% | 0.222 | S | C | . | . | trans | -96.9 | 153.5 | 176.6 | -61.7 | 0 | 0 | 0 | 0 | 111.8 | I455 N456 N458 | I455-S460 WeakPolarHBondContact CA-O 3.1Å; N456-S460 VanDerWaalsContact CG-O 3.3Å; N456-S460 PolarHBondContact N-O 3.33Å; N456-S460 PolarHBondContact OD1-N 2.68Å; N456-S460 PolarHBondContact OD1-O 2.98Å; N458-S460 VanDerWaalsContact C-N 3.33Å | ||
| 461 | V | 98.1 | Very high | 97.8 | Very high | 62 Ų | 62 | 37.8 Ų | 37.8 | 38% | 0.376 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 133.1 | 173.7 | 170 | 0 | 0 | 0 | 0 | 110.4 | R453 V454 I455 K463 | R453-V461 HydrophobicContact CB-CG1 3.94Å; R453-V461 HydrophobicContact CB-CG2 4.18Å; R453-V461 HydrophobicContact CG-CG1 4.43Å; V454-V461 WeakPolarHBondContact O-CA 3.38Å; I455-V461 HydrophobicContact CD1-CG2 3.75Å; V461-K463 PolarHBondContact O-N 3.46Å |
| 462 | I | 97.5 | Very high | 97.9 | Very high | 17 Ų | 17 | 35.2 Ų | 35.2 | 9% | 0.087 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 105.9 | 164 | -56.2 | -177.6 | 0 | 0 | 0 | 107.5 | V204 V271 A273 V454 N456 G464 L465 | V204-I462 HydrophobicContact CG2-CG2 4.07Å; V271-I462 HydrophobicContact CG2-CD1 4.3Å; A273-I462 HydrophobicContact CB-CD1 4.09Å; V454-I462 HydrophobicContact CG1-CD1 3.97Å; V454-I462 HydrophobicContact CG1-CG1 4.46Å; V454-I462 PolarHBondContact O-N 3.32Å; N456-I462 HydrophobicContact CB-CD1 3.99Å; N456-I462 HydrophobicContact CB-CG1 3.8Å; I462-G464 PolarHBondContact O-N 3.38Å; I462-L465 HydrophobicContact CB-CB 4.19Å; I462-L465 HydrophobicContact CB-CD2 4.46Å; I462-L465 HydrophobicContact CD1-CD2 4.3Å; I462-L465 HydrophobicContact CG2-CB 3.88Å; I462-L465 HydrophobicContact CG2-CD2 4.14Å; I462-L465 PolarHBondContact O-N 2.97Å |
| 463 | K | 96.8 | Very high | 97.8 | Very high | 107 Ų | 107 | 35.1 Ų | 35.1 | 47% | 0.465 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 138.4 | -179.8 | -173.6 | -176.9 | 177.8 | -172.2 | 0 | 110.4 | E202 G203 V204 V461 L465 | E202-K463 HydrophobicContact CB-CD 4.35Å; E202-K463 VanDerWaalsContact O-CB 3.28Å; E202-K463 WeakPolarHBondContact O-CB 3.31Å; E202-K463 WeakPolarHBondContact O-CD 3.29Å; E202-K463 IonicContact OE2-NZ 2.68Å; E202-K463 PolarHBondContact OE2-NZ 3.06Å; G203-K463 WeakPolarHBondContact CA-O 3.33Å; V204-K463 PolarHBondContact N-O 3.34Å; V461-K463 PolarHBondContact O-N 3.46Å; K463-L465 VanDerWaalsContact C-N 3.26Å; K463-L465 PolarHBondContact O-N 3.43Å |
| 464 | G | 97 | Very high | 97.8 | Very high | 8 Ų | 8 | 31.6 Ų | 31.6 | 8% | 0.082 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 77.1 | 2.4 | 180 | 0 | 0 | 0 | 0 | 0 | 114.8 | A224 V225 I462 | A224-G464 CarbonylContact C-O 3.59Å; A224-G464 WeakPolarHBondContact CA-O 3.46Å; V225-G464 PolarHBondContact N-O 3.13Å; I462-G464 PolarHBondContact O-N 3.38Å |
| 465 | L | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 123.9 | -178.9 | -170.2 | 63.6 | 0 | 0 | 0 | 112.8 | L197 V204 V225 L227 V271 V454 I462 K463 | L197-L465 HydrophobicContact CD1-CD1 3.93Å; L197-L465 HydrophobicContact CD1-CD2 3.98Å; L197-L465 HydrophobicContact CD2-CD1 3.99Å; V204-L465 HydrophobicContact CB-CB 4.18Å; V204-L465 HydrophobicContact CG1-CD1 4.44Å; V204-L465 HydrophobicContact CG2-CB 3.88Å; V204-L465 HydrophobicContact CG2-CD1 4.31Å; V204-L465 HydrophobicContact CG2-CD2 4.19Å; V204-L465 HydrophobicContact CG2-CG 4.34Å; V225-L465 HydrophobicContact CB-CD1 4.25Å; V225-L465 HydrophobicContact CG1-CD1 4.38Å; L227-L465 HydrophobicContact CD1-CD1 4.03Å; L227-L465 HydrophobicContact CG-CD1 4.11Å; V271-L465 HydrophobicContact CG2-CD2 3.9Å; V454-L465 HydrophobicContact CB-CB 4.28Å; V454-L465 HydrophobicContact CB-CD2 3.94Å; V454-L465 HydrophobicContact CB-CG 3.93Å; V454-L465 HydrophobicContact CG1-CD2 3.91Å; V454-L465 HydrophobicContact CG1-CG 4.45Å; V454-L465 HydrophobicContact CG2-CB 4.44Å; V454-L465 HydrophobicContact CG2-CD2 4.05Å; V454-L465 HydrophobicContact CG2-CG 3.74Å; V454-L465 PolarHBondContact N-O 2.94Å; I462-L465 HydrophobicContact CB-CB 4.19Å; I462-L465 HydrophobicContact CB-CD2 4.46Å; I462-L465 HydrophobicContact CD1-CD2 4.3Å; I462-L465 HydrophobicContact CG2-CB 3.88Å; I462-L465 HydrophobicContact CG2-CD2 4.14Å; I462-L465 PolarHBondContact O-N 2.97Å; K463-L465 VanDerWaalsContact C-N 3.26Å; K463-L465 PolarHBondContact O-N 3.43Å |
| 466 | Y | 98.9 | Very high | 97.7 | Very high | 6 Ų | 6 | 31.2 Ų | 31.2 | 2% | 0.024 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 159.5 | 177.5 | -57.9 | -104.1 | 0 | 0 | 0 | 109.8 | A224 V225 V226 L227 M452 R453 N499 A500 D503 | A224-Y466 HydrophobicContact CB-CD2 4.34Å; A224-Y466 HydrophobicContact CB-CE2 4.05Å; V225-Y466 PolarHBondContact O-N 2.84Å; V226-Y466 WeakPolarHBondContact CA-O 3.18Å; L227-Y466 PolarHBondContact N-O 3.18Å; M452-Y466 WeakPolarHBondContact O-CA 3.37Å; M452-Y466 WeakPolarHBondContact O-CB 3.34Å; R453-Y466 HydrophobicContact CB-CE1 4.44Å; R453-Y466 HydrophobicContact CG-CD1 3.9Å; R453-Y466 HydrophobicContact CG-CE1 3.4Å; R453-Y466 VanDerWaalsContact CG-CE1 3.4Å; Y466-N499 HydrophobicContact CD1-CB 4.32Å; Y466-N499 HydrophobicContact CE1-CB 3.75Å; Y466-A500 HydrophobicContact CD2-CB 3.73Å; Y466-A500 HydrophobicContact CE2-CB 3.88Å; Y466-A500 HydrophobicContact CG-CB 4.14Å; Y466-D503 VanDerWaalsContact OH-CB 3.25Å; Y466-D503 WeakPolarHBondContact OH-CB 3.44Å; Y466-D503 VanDerWaalsContact OH-CG 3.29Å; Y466-D503 PolarHBondContact OH-OD2 2.88Å |
| 467 | A | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 144.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L227 I446 T448 M452 V454 V471 T472 | L227-A467 HydrophobicContact CB-CB 4.34Å; L227-A467 CarbonylContact O-C 3.6Å; L227-A467 VanDerWaalsContact O-CA 3.29Å; L227-A467 WeakPolarHBondContact O-CA 3.21Å; I446-A467 HydrophobicContact CB-CB 4.34Å; I446-A467 HydrophobicContact CD1-CB 4.06Å; I446-A467 HydrophobicContact CG2-CB 4.26Å; T448-A467 HydrophobicContact CG2-CB 3.92Å; M452-A467 PolarHBondContact O-N 2.93Å; M452-A467 VanDerWaalsContact O-N 3.07Å; V454-A467 HydrophobicContact CG2-CB 3.76Å; A467-V471 HydrophobicContact CB-CG1 4.05Å; A467-T472 HydrophobicContact CB-CG2 3.69Å |
| 468 | A | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -150.5 | 155 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | L227 T228 V471 A496 | L227-A468 PolarHBondContact O-N 3.48Å; T228-A468 HydrophobicContact CG2-CB 3.96Å; A468-V471 WeakPolarHBondContact O-CG1 3.46Å; A468-A496 HydrophobicContact CB-CB 3.89Å | ||
| 469 | G | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | 69.2 | -155.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113 | V471 T472 S492 | G469-V471 PolarHBondContact O-N 3.47Å; G469-T472 PolarHBondContact O-N 3.34Å; G469-T472 PolarHBondContact O-OG1 3Å; G469-S492 PolarHBondContact N-OG 3.11Å |
| 470 | E | 98.7 | Very high | 97.9 | Very high | 21 Ų | 21 | 19.3 Ų | 19.3 | 10% | 0.098 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -64 | -6.7 | -170.2 | -174.1 | 173.5 | 173.6 | 0 | 0 | 115.7 | Y441 S442 | Y441-E470 HydrophobicContact CD1-CG 4.49Å; Y441-E470 HydrophobicContact CD2-CG 3.78Å; Y441-E470 VanDerWaalsContact CD2-OE1 3.3Å; Y441-E470 WeakPolarHBondContact CD2-OE1 3.38Å; Y441-E470 WeakPolarHBondContact CD2-OE2 3.42Å; Y441-E470 HydrophobicContact CE1-CG 4.05Å; Y441-E470 HydrophobicContact CE2-CB 3.65Å; Y441-E470 HydrophobicContact CE2-CG 3.35Å; Y441-E470 WeakPolarHBondContact CE2-OE2 3.14Å; Y441-E470 HydrophobicContact CG-CG 4.4Å; Y441-E470 VanDerWaalsContact CZ-CG 3.48Å; Y441-E470 WeakPolarHBondContact OH-CA 3.34Å; Y441-E470 WeakPolarHBondContact OH-CB 3.19Å; S442-E470 PolarHBondContact N-OE1 3.31Å |
| 471 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.082 | C | C | . | . | G | 310 helix | trans | -74.4 | -18.4 | 171.3 | 76.9 | 0 | 0 | 0 | 0 | 112 | L227 T229 I265 G445 I446 A467 A468 G469 | L227-V471 HydrophobicContact CB-CG1 4.42Å; L227-V471 VanDerWaalsContact O-CG1 3.27Å; L227-V471 WeakPolarHBondContact O-CG1 3.24Å; T229-V471 VanDerWaalsContact OG1-CG2 3.3Å; T229-V471 WeakPolarHBondContact OG1-CG2 3.47Å; I265-V471 HydrophobicContact CG1-CG2 3.83Å; G445-V471 WeakPolarHBondContact CA-O 3.43Å; I446-V471 HydrophobicContact CD1-CG1 4.43Å; I446-V471 HydrophobicContact CD1-CG2 3.78Å; I446-V471 PolarHBondContact N-O 2.8Å; A467-V471 HydrophobicContact CB-CG1 4.05Å; A468-V471 WeakPolarHBondContact O-CG1 3.46Å; G469-V471 PolarHBondContact O-N 3.47Å |
| 472 | T | 98.8 | Very high | 97.8 | Very high | 6 Ų | 6 | 13.4 Ų | 13.4 | 4% | 0.037 | 6% | 0.064 | C | C | . | . | B | Isolated β-bridge | trans | -89.6 | 160.9 | 178.3 | 70.4 | 0 | 0 | 0 | 0 | 111.6 | I446 T448 A467 G469 | I446-T472 CarbonylContact O-C 3.55Å; I446-T472 VanDerWaalsContact O-CA 3.28Å; I446-T472 WeakPolarHBondContact O-CA 3.46Å; I446-T472 WeakPolarHBondContact O-CB 3.38Å; T448-T472 HydrophobicContact CG2-CG2 3.86Å; A467-T472 HydrophobicContact CB-CG2 3.69Å; G469-T472 PolarHBondContact O-N 3.34Å; G469-T472 PolarHBondContact O-OG1 3Å |
| 473 | G | 98.2 | Very high | 97.7 | Very high | 4 Ų | 4 | 12.8 Ų | 12.8 | 4% | 0.041 | 6% | 0.062 | C | C | . | . | trans | -119.4 | 164.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I446 | I446-G473 PolarHBondContact O-N 3.44Š| ||
| 474 | G | 97.5 | Very high | 97.8 | Very high | 4 Ų | 4 | 7.7 Ų | 7.7 | 4% | 0.041 | 4% | 0.04 | C | C | . | . | S | Bend | trans | 95.3 | -21.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | N107 N108 H476 | N107-G474 CarbonylContact C-O 3.54Å; N107-G474 WeakPolarHBondContact CA-O 3.35Å; N108-G474 PolarHBondContact N-O 3.09Å; G474-H476 VanDerWaalsContact C-N 3.31Å; G474-H476 PolarHBondContact O-N 2.67Å |
| 475 | T | 97.9 | Very high | 97.8 | Very high | 11 Ų | 11 | 8.3 Ų | 8.3 | 7% | 0.067 | 4% | 0.043 | C | C | . | . | S | Bend | trans | -61 | -41.5 | 175.5 | -51.8 | 0 | 0 | 0 | 0 | 111.7 | N107 V112 L115 E488 | N107-T475 PolarHBondContact ND2-O 3.36Å; V112-T475 WeakPolarHBondContact CG2-O 3.35Å; L115-T475 HydrophobicContact CD1-CG2 3.81Å; T475-E488 WeakPolarHBondContact CB-OE1 3.16Å; T475-E488 PolarHBondContact OG1-OE1 3.13Å |
| 476 | H | 97.8 | Very high | 97.8 | Very high | 4 Ų | 4 | 8.4 Ų | 8.4 | 2% | 0.019 | 4% | 0.043 | C | C | . | . | S | Bend | trans | -108.1 | -15.3 | -169.3 | -53.9 | -61.3 | 0 | 0 | 0 | 114.8 | G103 N107 Y441 M443 G474 Y478 R480 E488 | G103-H476 WeakPolarHBondContact CA-O 3.11Å; N107-H476 WeakPolarHBondContact ND2-CA 3.37Å; N107-H476 PolarHBondContact ND2-O 2.95Å; Y441-H476 AromaticContact CE1-CD2 3.55Å; M443-H476 HydrophobicContact CE-CB 3.21Å; M443-H476 HydrophobicContact SD-CB 4.47Å; G474-H476 VanDerWaalsContact C-N 3.31Å; G474-H476 PolarHBondContact O-N 2.67Å; H476-Y478 PolarHBondContact O-N 2.89Å; H476-R480 HydrophobicContact CB-CB 4.11Å; H476-R480 HydrophobicContact CB-CG 4.18Å; H476-E488 IonicContact CD2-OE1 2.69Å; H476-E488 IonicContact CD2-OE2 3.28Å; H476-E488 IonicContact CE1-OE2 2.98Å; H476-E488 IonicContact NE2-OE1 3.17Å; H476-E488 PolarHBondContact NE2-OE1 3.36Å; H476-E488 IonicContact NE2-OE2 3.31Å; H476-E488 PolarHBondContact NE2-OE2 3.13Å |
| 477 | G | 96 | Very high | 97.8 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 4% | 0.042 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | -127.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | M443 | M443-G477 WeakPolarHBondContact CB-O 3.28Å; M443-G477 VanDerWaalsContact CE-O 3.26Å; M443-G477 WeakPolarHBondContact CE-O 3.32Å |
| 478 | Y | 96.6 | Very high | 97.8 | Very high | 71 Ų | 71 | 8.4 Ų | 8.4 | 28% | 0.278 | 4% | 0.043 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -45.7 | -175 | -172.8 | -88.6 | 0 | 0 | 0 | 113.8 | G103 Q104 M106 D329 H476 | G103-Y478 WeakPolarHBondContact O-CB 3.5Å; G103-Y478 PolarHBondContact O-N 3.43Å; Q104-Y478 HydrophobicContact CB-CG 4.23Å; Q104-Y478 VanDerWaalsContact CD-CD1 3.45Å; Q104-Y478 VanDerWaalsContact CD-CG 3.49Å; Q104-Y478 HydrophobicContact CG-CD1 3.87Å; Q104-Y478 HydrophobicContact CG-CG 3.84Å; M106-Y478 HydrophobicContact SD-CD2 3.99Å; M106-Y478 HydrophobicContact SD-CG 4.44Å; D329-Y478 HydrophobicContact CB-CE1 4.08Å; D329-Y478 WeakPolarHBondContact OD2-CE1 3.25Å; H476-Y478 PolarHBondContact O-N 2.89Å |
| 479 | D | 96.8 | Very high | 97.8 | Very high | 6 Ų | 6 | 8.9 Ų | 8.9 | 3% | 0.032 | 5% | 0.047 | C | C | . | . | S | Bend | trans | -145 | 153.4 | -177.5 | -165 | 30.8 | 0 | 0 | 0 | 111.8 | A102 G103 Q282 R328 D329 | A102-D479 CarbonylContact C-O 3.59Å; A102-D479 WeakPolarHBondContact O-CB 3.48Å; G103-D479 WeakPolarHBondContact CA-O 3.44Å; G103-D479 PolarHBondContact N-O 3.42Å; Q282-D479 WeakPolarHBondContact CB-OD1 3.34Å; Q282-D479 VanDerWaalsContact CD-OD1 3.27Å; Q282-D479 WeakPolarHBondContact CG-OD1 3.49Å; Q282-D479 PolarHBondContact NE2-OD1 2.91Å; R328-D479 WeakPolarHBondContact CB-OD2 3.48Å; D329-D479 PolarHBondContact N-OD2 2.95Å |
| 480 | R | 97.5 | Very high | 97.8 | Very high | 10 Ų | 10 | 8.9 Ų | 8.9 | 4% | 0.038 | 5% | 0.047 | C | C | . | . | P | Polyproline II helix | trans | -103.9 | 117.7 | -171.9 | -172.6 | -163.8 | 73.7 | -170.6 | -3.1 | 113.1 | Q282 R328 H440 Y441 M443 H476 G482 N484 S485 | Q282-R480 PolarHBondContact NE2-O 3.43Å; R328-R480 PolarHBondContact NH1-O 3.48Å; H440-R480 PolarHBondContact CD2-NH2 2.89Å; H440-R480 PolarHBondContact NE2-NH2 3.18Å; Y441-R480 HydrophobicContact CD1-CB 4.43Å; M443-R480 HydrophobicContact CE-CB 3.93Å; M443-R480 HydrophobicContact SD-CB 3.81Å; H476-R480 HydrophobicContact CB-CB 4.11Å; H476-R480 HydrophobicContact CB-CG 4.18Å; R480-G482 PolarHBondContact O-N 3.32Å; R480-N484 HydrophobicContact CG-CB 4.34Å; R480-S485 PolarHBondContact NH1-OG 3.4Å |
| 481 | L | 96.5 | Very high | 97.7 | Very high | 5 Ų | 5 | 8.1 Ų | 8.1 | 3% | 0.026 | 4% | 0.044 | C | C | . | . | P | Polyproline II helix | trans | -55.3 | 133.8 | 170.8 | -166.4 | 68.8 | 0 | 0 | 0 | 111.9 | F95 D98 A102 H142 G483 N484 | F95-L481 HydrophobicContact CD2-CD2 4.38Å; F95-L481 HydrophobicContact CE2-CD2 4.14Å; D98-L481 HydrophobicContact CB-CD2 3.83Å; A102-L481 HydrophobicContact CB-CB 4.04Å; A102-L481 HydrophobicContact CB-CD1 4.18Å; H142-L481 VanDerWaalsContact CE1-CD2 3.48Å; H142-L481 WeakPolarHBondContact CE1-CD2 3.21Å; H142-L481 VanDerWaalsContact CE1-CG 3.44Å; H142-L481 WeakPolarHBondContact CE1-CG 3.17Å; H142-L481 WeakPolarHBondContact NE2-CG 3.46Å; L481-G483 PolarHBondContact O-N 3.32Å; L481-N484 WeakPolarHBondContact O-CB 3.46Å; L481-N484 PolarHBondContact O-N 2.93Å |
| 482 | G | 96.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 5% | 0.047 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 131.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N76 H142 R480 N484 | N76-G482 PolarHBondContact ND2-O 3.15Å; N76-G482 PolarHBondContact OD1-O 3.36Å; H142-G482 PolarHBondContact CE1-O 2.86Å; H142-G482 VanDerWaalsContact CE1-O 3.29Å; H142-G482 PolarHBondContact NE2-O 3.45Å; R480-G482 PolarHBondContact O-N 3.32Å; G482-N484 VanDerWaalsContact C-N 3.35Å; G482-N484 PolarHBondContact O-N 3.26Å |
| 483 | G | 96.8 | Very high | 97.7 | Very high | 5 Ų | 5 | 8.2 Ų | 8.2 | 5% | 0.052 | 5% | 0.045 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | -11.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | G74 N76 L481 S485 | G74-G483 WeakPolarHBondContact O-CA 3.48Å; N76-G483 VanDerWaalsContact ND2-C 3.27Å; L481-G483 PolarHBondContact O-N 3.32Å; G483-S485 VanDerWaalsContact C-N 3.33Å; G483-S485 PolarHBondContact O-N 2.96Å |
| 484 | N | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -66.1 | -30.8 | 178.7 | -83.5 | 10.9 | 0 | 0 | 0 | 113.6 | N76 F95 T99 R480 L481 G482 L486 I487 E488 | N76-N484 PolarHBondContact ND2-N 3.32Å; N76-N484 PolarHBondContact ND2-OD1 3.35Å; F95-N484 WeakPolarHBondContact CE2-OD1 3.24Å; F95-N484 VanDerWaalsContact CZ-OD1 3.22Å; F95-N484 WeakPolarHBondContact CZ-OD1 3.34Å; T99-N484 WeakPolarHBondContact CG2-ND2 3.35Å; T99-N484 PolarHBondContact OG1-ND2 3.04Å; R480-N484 HydrophobicContact CG-CB 4.34Å; L481-N484 WeakPolarHBondContact O-CB 3.46Å; L481-N484 PolarHBondContact O-N 2.93Å; G482-N484 VanDerWaalsContact C-N 3.35Å; G482-N484 PolarHBondContact O-N 3.26Å; N484-L486 VanDerWaalsContact C-N 3.33Å; N484-L486 PolarHBondContact O-N 3.43Å; N484-I487 WeakPolarHBondContact O-CG2 3.39Å; N484-I487 PolarHBondContact O-N 3.05Å; N484-E488 WeakPolarHBondContact O-CB 3.42Å; N484-E488 PolarHBondContact O-N 3.2Å |
| 485 | S | 97.8 | Very high | 97.8 | Very high | 20 Ų | 20 | 10.1 Ų | 10.1 | 14% | 0.14 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -64.6 | -35.1 | -175.5 | 59.8 | 0 | 0 | 0 | 0 | 113.7 | R480 G483 C489 | R480-S485 PolarHBondContact NH1-OG 3.4Å; G483-S485 VanDerWaalsContact C-N 3.33Å; G483-S485 PolarHBondContact O-N 2.96Å; S485-C489 WeakPolarHBondContact O-CB 3.41Å; S485-C489 PolarHBondContact O-N 3.37Å; S485-C489 PolarHBondContact O-SG 3.14Å |
| 486 | L | 98.3 | Very high | 97.8 | Very high | 3 Ų | 3 | 9.6 Ų | 9.6 | 2% | 0.016 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -69 | -44.6 | 178.9 | -71.8 | 175 | 0 | 0 | 0 | 110.8 | L39 A71 G74 I75 I161 L165 N484 C489 I490 | L39-L486 HydrophobicContact CD2-CB 4.46Å; L39-L486 HydrophobicContact CD2-CD2 3.62Å; A71-L486 HydrophobicContact CB-CD1 4.01Å; A71-L486 HydrophobicContact CB-CD2 3.99Å; A71-L486 HydrophobicContact CB-CG 4.21Å; G74-L486 WeakPolarHBondContact O-CD1 3.43Å; I75-L486 HydrophobicContact CB-CB 4.17Å; I75-L486 HydrophobicContact CB-CD1 4.31Å; I75-L486 HydrophobicContact CD1-CB 4.23Å; I75-L486 HydrophobicContact CG1-CB 4Å; I161-L486 HydrophobicContact CG2-CD1 4.12Å; L165-L486 HydrophobicContact CD1-CB 4.25Å; L165-L486 HydrophobicContact CD1-CD1 3.76Å; L165-L486 HydrophobicContact CD1-CD2 4.03Å; L165-L486 HydrophobicContact CD1-CG 4.24Å; N484-L486 VanDerWaalsContact C-N 3.33Å; N484-L486 PolarHBondContact O-N 3.43Å; L486-C489 PolarHBondContact O-N 3.16Å; L486-I490 WeakPolarHBondContact O-CG1 3.28Å; L486-I490 PolarHBondContact O-N 3.4Å; L486-I490 VanDerWaalsContact O-N 3.11Å |
| 487 | I | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -72.1 | -33 | 178.2 | -171.8 | 67.1 | 0 | 0 | 0 | 112.1 | I75 N76 L115 F122 N484 I490 S491 | I75-I487 HydrophobicContact CD1-CB 4.23Å; I75-I487 HydrophobicContact CD1-CD1 4.23Å; I75-I487 HydrophobicContact CG1-CB 3.93Å; N76-I487 HydrophobicContact CB-CG2 4.38Å; L115-I487 HydrophobicContact CD1-CG2 4.27Å; L115-I487 HydrophobicContact CD2-CG2 3.86Å; L115-I487 HydrophobicContact CG-CG2 4.08Å; F122-I487 HydrophobicContact CB-CD1 4.02Å; F122-I487 HydrophobicContact CD2-CD1 4.15Å; N484-I487 WeakPolarHBondContact O-CG2 3.39Å; N484-I487 PolarHBondContact O-N 3.05Å; I487-I490 PolarHBondContact O-N 3.22Å; I487-S491 WeakPolarHBondContact O-CB 3.29Å; I487-S491 PolarHBondContact O-N 3.28Å |
| 488 | E | 98.5 | Very high | 97.9 | Very high | 6 Ų | 6 | 11.3 Ų | 11.3 | 3% | 0.028 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -59.5 | -50.6 | 169.4 | 178.8 | -179.1 | -138.8 | 0 | 0 | 110.9 | L115 Y441 T475 H476 N484 I490 S491 S492 | L115-E488 HydrophobicContact CD1-CB 3.77Å; L115-E488 HydrophobicContact CD1-CG 4.48Å; Y441-E488 PolarHBondContact OH-OE2 2.81Å; T475-E488 WeakPolarHBondContact CB-OE1 3.16Å; T475-E488 PolarHBondContact OG1-OE1 3.13Å; H476-E488 IonicContact CD2-OE1 2.69Å; H476-E488 IonicContact CD2-OE2 3.28Å; H476-E488 IonicContact CE1-OE2 2.98Å; H476-E488 IonicContact NE2-OE1 3.17Å; H476-E488 PolarHBondContact NE2-OE1 3.36Å; H476-E488 IonicContact NE2-OE2 3.31Å; H476-E488 PolarHBondContact NE2-OE2 3.13Å; N484-E488 WeakPolarHBondContact O-CB 3.42Å; N484-E488 PolarHBondContact O-N 3.2Å; E488-I490 VanDerWaalsContact C-N 3.3Å; E488-I490 PolarHBondContact O-N 3.05Å; E488-S491 PolarHBondContact O-N 3.4Å; E488-S492 VanDerWaalsContact O-CB 3.3Å; E488-S492 WeakPolarHBondContact O-CB 3.42Å; E488-S492 PolarHBondContact O-N 3.17Å; E488-S492 PolarHBondContact O-OG 3.34Å |
| 489 | C | 98.7 | Very high | 98 | Very high | 11 Ų | 11 | 9.3 Ų | 9.3 | 7% | 0.074 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -55.3 | -46.8 | 179.1 | -74.7 | 0 | 0 | 0 | 0 | 111.4 | L39 A40 S485 L486 G493 | L39-C489 HydrophobicContact CB-CB 4.01Å; L39-C489 HydrophobicContact CD2-CB 4.06Å; L39-C489 HydrophobicContact CG-CB 3.97Å; A40-C489 WeakPolarHBondContact CA-O 3.34Å; A40-C489 HydrophobicContact CB-CB 3.96Å; S485-C489 WeakPolarHBondContact O-CB 3.41Å; S485-C489 PolarHBondContact O-N 3.37Å; S485-C489 PolarHBondContact O-SG 3.14Å; L486-C489 PolarHBondContact O-N 3.16Å; C489-G493 VanDerWaalsContact O-CA 3.31Å; C489-G493 WeakPolarHBondContact O-CA 3.34Å; C489-G493 PolarHBondContact O-N 2.95Å |
| 490 | I | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -66 | -50.6 | -179.8 | -67.6 | 164.5 | 0 | 0 | 0 | 110.9 | L39 I75 F122 L165 Y169 L486 I487 E488 S494 | L39-I490 HydrophobicContact CD1-CG1 4.25Å; L39-I490 HydrophobicContact CD2-CD1 4.14Å; L39-I490 HydrophobicContact CD2-CG1 3.87Å; L39-I490 HydrophobicContact CG-CG1 4.02Å; I75-I490 HydrophobicContact CD1-CD1 3.51Å; F122-I490 HydrophobicContact CB-CG2 3.94Å; F122-I490 HydrophobicContact CD1-CG2 3.44Å; F122-I490 VanDerWaalsContact CD1-CG2 3.44Å; F122-I490 HydrophobicContact CD2-CG2 3.84Å; F122-I490 HydrophobicContact CE1-CG2 3.78Å; F122-I490 HydrophobicContact CE2-CG2 4.16Å; F122-I490 HydrophobicContact CG-CG2 3.46Å; F122-I490 VanDerWaalsContact CG-CG2 3.46Å; F122-I490 HydrophobicContact CZ-CG2 4.13Å; L165-I490 HydrophobicContact CD2-CD1 4.29Å; Y169-I490 HydrophobicContact CE1-CG2 4.29Å; Y169-I490 HydrophobicContact CE2-CD1 3.59Å; Y169-I490 HydrophobicContact CE2-CG1 3.79Å; Y169-I490 HydrophobicContact CE2-CG2 4.46Å; Y169-I490 WeakPolarHBondContact OH-CG2 3.33Å; L486-I490 WeakPolarHBondContact O-CG1 3.28Å; L486-I490 PolarHBondContact O-N 3.4Å; L486-I490 VanDerWaalsContact O-N 3.11Å; I487-I490 PolarHBondContact O-N 3.22Å; E488-I490 VanDerWaalsContact C-N 3.3Å; E488-I490 PolarHBondContact O-N 3.05Å; I490-S494 WeakPolarHBondContact O-CB 3.48Å; I490-S494 PolarHBondContact O-N 3.34Å |
| 491 | S | 98.2 | Very high | 98 | Very high | 4 Ų | 4 | 9 Ų | 9 | 3% | 0.028 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -67.2 | -52.1 | -173.9 | -174.3 | 0 | 0 | 0 | 0 | 112.2 | R118 I487 E488 L495 | R118-S491 VanDerWaalsContact CD-OG 3.26Å; R118-S491 WeakPolarHBondContact CD-OG 3.22Å; R118-S491 PolarHBondContact NE-OG 2.96Å; I487-S491 WeakPolarHBondContact O-CB 3.29Å; I487-S491 PolarHBondContact O-N 3.28Å; E488-S491 PolarHBondContact O-N 3.4Å; S491-L495 WeakPolarHBondContact O-CB 3.3Å; S491-L495 PolarHBondContact O-N 3.41Å |
| 492 | S | 98.7 | Very high | 97.8 | Very high | 9 Ų | 9 | 11.4 Ų | 11.4 | 6% | 0.063 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -68.2 | -42 | 178.6 | 62.4 | 0 | 0 | 0 | 0 | 111.6 | M452 G469 E488 L495 A496 | M452-S492 WeakPolarHBondContact SD-CB 3.49Å; G469-S492 PolarHBondContact N-OG 3.11Å; E488-S492 VanDerWaalsContact O-CB 3.3Å; E488-S492 WeakPolarHBondContact O-CB 3.42Å; E488-S492 PolarHBondContact O-N 3.17Å; E488-S492 PolarHBondContact O-OG 3.34Å; S492-L495 PolarHBondContact O-N 2.96Å; S492-A496 VanDerWaalsContact O-CB 3.3Å; S492-A496 WeakPolarHBondContact O-CB 3.48Å; S492-A496 PolarHBondContact O-N 2.96Å |
| 493 | G | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -59.3 | -55 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111 | A40 A44 C489 L495 A496 G497 | A40-G493 WeakPolarHBondContact O-CA 3.4Å; A44-G493 WeakPolarHBondContact CA-O 3.4Å; A44-G493 WeakPolarHBondContact CB-O 3.43Å; A44-G493 PolarHBondContact N-O 2.82Å; C489-G493 VanDerWaalsContact O-CA 3.31Å; C489-G493 WeakPolarHBondContact O-CA 3.34Å; C489-G493 PolarHBondContact O-N 2.95Å; G493-L495 VanDerWaalsContact C-N 3.27Å; G493-L495 PolarHBondContact O-N 3.33Å; G493-A496 PolarHBondContact O-N 3.35Å; G493-G497 PolarHBondContact O-N 3.25Å |
| 494 | S | 98.4 | Very high | 95.6 | Very high | 26 Ų | 26 | 14.8 Ų | 14.8 | 18% | 0.182 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -52.8 | -45.5 | 176.9 | 170.4 | 0 | 0 | 0 | 0 | 112.3 | I490 V498 | I490-S494 WeakPolarHBondContact O-CB 3.48Å; I490-S494 PolarHBondContact O-N 3.34Å; S494-V498 WeakPolarHBondContact O-CG2 3.16Å; S494-V498 PolarHBondContact O-N 2.73Å; S494-V498 VanDerWaalsContact O-N 3.09Å |
| 495 | L | 98.2 | Very high | 93.5 | Very high | 22 Ų | 22 | 17.4 Ų | 17.4 | 12% | 0.115 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -70.5 | -42.5 | -177.8 | -172.9 | 59 | 0 | 0 | 0 | 112.8 | L114 T450 M452 S491 S492 G493 G497 V498 N499 | L114-L495 HydrophobicContact CD2-CD2 3.85Å; T450-L495 WeakPolarHBondContact O-CD2 3.26Å; M452-L495 HydrophobicContact CE-CD2 4.38Å; M452-L495 HydrophobicContact CG-CB 4.14Å; M452-L495 HydrophobicContact CG-CD2 4.25Å; M452-L495 HydrophobicContact CG-CG 4.22Å; S491-L495 WeakPolarHBondContact O-CB 3.3Å; S491-L495 PolarHBondContact O-N 3.41Å; S492-L495 PolarHBondContact O-N 2.96Å; G493-L495 VanDerWaalsContact C-N 3.27Å; G493-L495 PolarHBondContact O-N 3.33Å; L495-G497 VanDerWaalsContact C-N 3.32Å; L495-G497 PolarHBondContact O-N 2.87Å; L495-V498 PolarHBondContact O-N 2.86Å; L495-N499 WeakPolarHBondContact CD1-ND2 3.25Å; L495-N499 WeakPolarHBondContact O-CB 3.2Å; L495-N499 VanDerWaalsContact O-CG 3.32Å; L495-N499 PolarHBondContact O-N 3.24Å; L495-N499 PolarHBondContact O-ND2 3.21Å |
| 496 | A | 98.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61 | -42.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V226 M452 A468 S492 G493 N499 A500 | V226-A496 HydrophobicContact CG1-CB 3.7Å; M452-A496 HydrophobicContact CB-CB 3.63Å; M452-A496 HydrophobicContact CG-CB 4.02Å; A468-A496 HydrophobicContact CB-CB 3.89Å; S492-A496 VanDerWaalsContact O-CB 3.3Å; S492-A496 WeakPolarHBondContact O-CB 3.48Å; S492-A496 PolarHBondContact O-N 2.96Å; G493-A496 PolarHBondContact O-N 3.35Å; A496-N499 PolarHBondContact O-N 2.63Å; A496-A500 WeakPolarHBondContact O-CB 3.22Å; A496-A500 PolarHBondContact O-N 2.77Å |
| 497 | G | 98.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.7 | -49.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A44 A48 G493 L495 N499 A501 | A44-G497 WeakPolarHBondContact O-CA 3.36Å; A48-G497 WeakPolarHBondContact CA-O 3.48Å; A48-G497 WeakPolarHBondContact CB-O 3.4Å; G493-G497 PolarHBondContact O-N 3.25Å; L495-G497 VanDerWaalsContact C-N 3.32Å; L495-G497 PolarHBondContact O-N 2.87Å; G497-N499 PolarHBondContact O-N 3.38Å; G497-A501 WeakPolarHBondContact O-CB 3.46Å; G497-A501 PolarHBondContact O-N 3.37Å; G497-A501 VanDerWaalsContact O-N 3.09Å |
| 498 | V | 97.8 | Very high | 86.1 | Confident | 39 Ų | 39 | 34.5 Ų | 34.5 | 24% | 0.236 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.9 | -47.2 | 178.1 | 168.2 | 0 | 0 | 0 | 0 | 111.2 | Q51 S494 L495 A501 A502 | Q51-V498 HydrophobicContact CG-CB 4.49Å; Q51-V498 HydrophobicContact CG-CG1 4.25Å; Q51-V498 HydrophobicContact CG-CG2 4.44Å; S494-V498 WeakPolarHBondContact O-CG2 3.16Å; S494-V498 PolarHBondContact O-N 2.73Å; S494-V498 VanDerWaalsContact O-N 3.09Å; L495-V498 PolarHBondContact O-N 2.86Å; V498-A501 PolarHBondContact O-N 2.89Å; V498-A502 WeakPolarHBondContact O-CB 3.44Å; V498-A502 PolarHBondContact O-N 2.73Å |
| 499 | N | 98.3 | Very high | 83.3 | Confident | 30 Ų | 30 | 40.5 Ų | 40.5 | 16% | 0.16 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -72.2 | -37.4 | -176.5 | -68.2 | -24.6 | 0 | 0 | 0 | 112.4 | N451 Y466 L495 A496 G497 A501 A502 D503 | N451-N499 WeakPolarHBondContact CA-ND2 3.35Å; N451-N499 WeakPolarHBondContact CB-ND2 3.31Å; N451-N499 PolarHBondContact O-ND2 2.86Å; Y466-N499 HydrophobicContact CD1-CB 4.32Å; Y466-N499 HydrophobicContact CE1-CB 3.75Å; L495-N499 WeakPolarHBondContact CD1-ND2 3.25Å; L495-N499 WeakPolarHBondContact O-CB 3.2Å; L495-N499 VanDerWaalsContact O-CG 3.32Å; L495-N499 PolarHBondContact O-N 3.24Å; L495-N499 PolarHBondContact O-ND2 3.21Å; A496-N499 PolarHBondContact O-N 2.63Å; G497-N499 PolarHBondContact O-N 3.38Å; N499-A501 VanDerWaalsContact C-N 3.33Å; N499-A501 PolarHBondContact O-N 3.25Å; N499-A502 PolarHBondContact O-N 3.41Å; N499-D503 WeakPolarHBondContact O-CB 3.4Å; N499-D503 PolarHBondContact O-N 3.09Å |
| 500 | A | 97.9 | Very high | 80.3 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V32 A224 V226 Y466 A496 G504 | V32-A500 HydrophobicContact CG1-CB 3.99Å; V32-A500 HydrophobicContact CG2-CB 4.14Å; A224-A500 HydrophobicContact CB-CB 3.85Å; V226-A500 HydrophobicContact CG2-CB 3.62Å; Y466-A500 HydrophobicContact CD2-CB 3.73Å; Y466-A500 HydrophobicContact CE2-CB 3.88Å; Y466-A500 HydrophobicContact CG-CB 4.14Å; A496-A500 WeakPolarHBondContact O-CB 3.22Å; A496-A500 PolarHBondContact O-N 2.77Å; A500-G504 PolarHBondContact O-N 3.43Å |
| 501 | A | 95.2 | Very high | 77.2 | Confident | 9 Ų | 9 | 54.7 Ų | 54.7 | 7% | 0.074 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.9 | -43.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V32 A48 Q51 A53 G497 V498 N499 D503 G504 G505 | V32-A501 HydrophobicContact CG2-CB 4.19Å; A48-A501 HydrophobicContact CB-CB 4.07Å; Q51-A501 HydrophobicContact CB-CB 3.61Å; Q51-A501 HydrophobicContact CG-CB 4.02Å; A53-A501 HydrophobicContact CB-CB 3.71Å; G497-A501 WeakPolarHBondContact O-CB 3.46Å; G497-A501 PolarHBondContact O-N 3.37Å; G497-A501 VanDerWaalsContact O-N 3.09Å; V498-A501 PolarHBondContact O-N 2.89Å; N499-A501 VanDerWaalsContact C-N 3.33Å; N499-A501 PolarHBondContact O-N 3.25Å; A501-D503 PolarHBondContact O-N 3.43Å; A501-G504 PolarHBondContact O-N 2.7Å; A501-G505 PolarHBondContact O-N 3.33Å; A501-G505 VanDerWaalsContact O-N 3.11Å |
| 502 | A | 92.8 | Very high | 74.2 | Confident | 56 Ų | 56 | 57.7 Ų | 57.7 | 46% | 0.463 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.5 | -38.2 | -180 | 0 | 0 | 0 | 0 | 0 | 112.8 | V498 N499 | V498-A502 WeakPolarHBondContact O-CB 3.44Å; V498-A502 PolarHBondContact O-N 2.73Å; N499-A502 PolarHBondContact O-N 3.41Å |
| 503 | D | 83.3 | Confident | 70.9 | Confident | 72 Ų | 72 | 60.9 Ų | 60.9 | 39% | 0.385 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -79.5 | -33.3 | 177.5 | -74.6 | -33 | 0 | 0 | 0 | 112.1 | Y466 N499 A501 | Y466-D503 VanDerWaalsContact OH-CB 3.25Å; Y466-D503 WeakPolarHBondContact OH-CB 3.44Å; Y466-D503 VanDerWaalsContact OH-CG 3.29Å; Y466-D503 PolarHBondContact OH-OD2 2.88Å; N499-D503 WeakPolarHBondContact O-CB 3.4Å; N499-D503 PolarHBondContact O-N 3.09Å; A501-D503 PolarHBondContact O-N 3.43Å |
| 504 | G | 64.8 | Low | 67.8 | Low | 4 Ų | 4 | 69.7 Ų | 69.7 | 4% | 0.041 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67.5 | -35.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | A500 A501 K506 | A500-G504 PolarHBondContact O-N 3.43Å; A501-G504 PolarHBondContact O-N 2.7Å; G504-K506 CarbonylContact O-C 3.59Å; G504-K506 PolarHBondContact O-N 2.77Å |
| 505 | G | 53.4 | Low | 64.6 | Low | 55 Ų | 55 | 79.9 Ų | 79.9 | 57% | 0.567 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -9.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | A501 K507 | A501-G505 PolarHBondContact O-N 3.33Å; A501-G505 VanDerWaalsContact O-N 3.11Å; G505-K507 PolarHBondContact O-N 2.87Å |
| 506 | K | 50.8 | Low | 61.4 | Low | 164 Ų | 164 | 85.3 Ų | 85.3 | 71% | 0.713 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -80.1 | 62.8 | 167.4 | -63 | 179.4 | -174.6 | 168.1 | 0 | 110.2 | G504 L508 | G504-K506 CarbonylContact O-C 3.59Å; G504-K506 PolarHBondContact O-N 2.77Å; K506-L508 PolarHBondContact O-N 3.44Å; K506-L508 VanDerWaalsContact O-N 3.1Å |
| 507 | K | 45.9 | Very low | 58.4 | Low | 161 Ų | 161 | 88 Ų | 88 | 70% | 0.7 | 45% | 0.445 | S | S | * | . | trans | -4.1 | 91.9 | 175.4 | -71.1 | -177.6 | 170.3 | -177.2 | 0 | 114.9 | G505 H509 | G505-K507 PolarHBondContact O-N 2.87Å; K507-H509 PolarHBondContact O-N 3.1Å; K507-H509 VanDerWaalsContact O-N 3.09Å | ||
| 508 | L | 42.2 | Very low | 55.4 | Low | 57 Ų | 57 | 94.9 Ų | 94.9 | 30% | 0.298 | 48% | 0.482 | S | S | . | . | trans | -82.3 | 45.2 | 164.5 | -103.6 | 149.1 | 0 | 0 | 0 | 109.9 | E202 D223 K506 T510 | E202-L508 WeakPolarHBondContact OE2-CD2 3.5Å; D223-L508 VanDerWaalsContact OD1-CB 3.28Å; D223-L508 WeakPolarHBondContact OD1-CB 3.12Å; K506-L508 PolarHBondContact O-N 3.44Å; K506-L508 VanDerWaalsContact O-N 3.1Å; L508-T510 PolarHBondContact O-N 3.37Å | ||
| 509 | H | 38.8 | Very low | 52.3 | Low | 132 Ų | 132 | 95.7 Ų | 95.7 | 61% | 0.611 | 49% | 0.493 | S | S | * | . | trans | -79.5 | 60.5 | 174.8 | -61.2 | -36.4 | 0 | 0 | 0 | 111.3 | K507 | K507-H509 PolarHBondContact O-N 3.1Å; K507-H509 VanDerWaalsContact O-N 3.09Å | ||
| 510 | T | 35.8 | Very low | 49.2 | Very low | 108 Ų | 108 | 98.6 Ų | 98.6 | 66% | 0.663 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -102.4 | 109.4 | 147.2 | 55.4 | 0 | 0 | 0 | 0 | 105.4 | L508 P512 | L508-T510 PolarHBondContact O-N 3.37Å; T510-P512 VanDerWaalsContact O-CD 3.26Å; T510-P512 WeakPolarHBondContact O-CD 3.47Å |
| 511 | K | 33.9 | Very low | 45.9 | Very low | 201 Ų | 201 | 104.2 Ų | 104.2 | 87% | 0.874 | 54% | 0.539 | S | S | * | . | trans | -45.6 | 115.6 | 171 | -89.9 | -178 | 173.5 | 179.3 | 0 | 106.6 | S513 | K511-S513 PolarHBondContact O-N 2.9Š| ||
| 512 | P | 35 | Very low | 42.9 | Very low | 67 Ų | 67 | 110.7 Ų | 110.7 | 44% | 0.435 | 57% | 0.572 | S | S | . | * | trans | -61.8 | 116.2 | -179 | 21.7 | -29.9 | 0 | 0 | 0 | 106.9 | T510 F514 F517 | T510-P512 VanDerWaalsContact O-CD 3.26Å; T510-P512 WeakPolarHBondContact O-CD 3.47Å; P512-F514 PolarHBondContact O-N 3.41Å; P512-F517 HydrophobicContact CB-CE2 3.84Å; P512-F517 HydrophobicContact CB-CZ 3.59Å; P512-F517 HydrophobicContact CG-CE2 4.34Å; P512-F517 HydrophobicContact CG-CZ 3.8Å | ||
| 513 | S | 29.5 | Very low | 39.8 | Very low | 76 Ų | 76 | 116.6 Ų | 116.6 | 53% | 0.531 | 59% | 0.588 | S | S | . | * | trans | -61.3 | 124.7 | 175.9 | 79.7 | 0 | 0 | 0 | 0 | 106.4 | K511 R515 Q516 | K511-S513 PolarHBondContact O-N 2.9Å; S513-R515 PolarHBondContact O-N 3.29Å; S513-Q516 PolarHBondContact O-N 3.06Å | ||
| 514 | F | 34.3 | Very low | 37.1 | Very low | 185 Ų | 185 | 119.6 Ų | 119.6 | 81% | 0.811 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -53.3 | -9.5 | -179.4 | -105.1 | -92.1 | 0 | 0 | 0 | 114.3 | P512 | P512-F514 PolarHBondContact O-N 3.41Š|
| 515 | R | 32 | Very low | 35.4 | Very low | 239 Ų | 239 | 123.1 Ų | 123.1 | 90% | 0.902 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -85.1 | 1.9 | -177.4 | -73.8 | -168.4 | 175 | -172.4 | -0.9 | 116.1 | S513 | S513-R515 PolarHBondContact O-N 3.29Š|
| 516 | Q | 30.7 | Very low | 34.1 | Very low | 137 Ų | 137 | 130.4 Ų | 130.4 | 64% | 0.64 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -132.9 | 30.6 | 177.5 | -85.8 | -172.5 | -14.2 | 0 | 0 | 114.1 | S513 D518 | S513-Q516 PolarHBondContact O-N 3.06Å; Q516-D518 PolarHBondContact O-N 2.85Å |
| 517 | F | 34.8 | Very low | 33.1 | Very low | 55 Ų | 55 | 131.6 Ų | 131.6 | 24% | 0.241 | 66% | 0.662 | C | S | . | * | trans | -88.3 | 99.3 | 166.3 | -70.1 | -95 | 0 | 0 | 0 | 108.6 | V198 V219 P512 A519 | V198-F517 HydrophobicContact CB-CE1 4.37Å; V198-F517 HydrophobicContact CG1-CD1 3.82Å; V198-F517 HydrophobicContact CG1-CE1 3.32Å; V198-F517 HydrophobicContact CG1-CZ 4.39Å; V198-F517 HydrophobicContact CG2-CD1 4.41Å; V198-F517 HydrophobicContact CG2-CE1 4.19Å; V219-F517 HydrophobicContact CG1-CE1 4.34Å; P512-F517 HydrophobicContact CB-CE2 3.84Å; P512-F517 HydrophobicContact CB-CZ 3.59Å; P512-F517 HydrophobicContact CG-CE2 4.34Å; P512-F517 HydrophobicContact CG-CZ 3.8Å; F517-A519 HydrophobicContact CB-CB 4.46Å; F517-A519 PolarHBondContact O-N 3.26Å | ||
| 518 | D | 36.2 | Very low | 32.3 | Very low | 145 Ų | 145 | 131.3 Ų | 131.3 | 78% | 0.775 | 67% | 0.666 | S | S | * | * | trans | -71.3 | 61.7 | 154 | -68.9 | -29.7 | 0 | 0 | 0 | 107.9 | Q516 V520 | Q516-D518 PolarHBondContact O-N 2.85Å; D518-V520 PolarHBondContact O-N 3.15Å | ||
| 519 | A | 33.7 | Very low | 31.9 | Very low | 57 Ų | 57 | 132.6 Ų | 132.6 | 47% | 0.471 | 69% | 0.694 | S | S | . | * | trans | -69.8 | 85.3 | 160 | 0 | 0 | 0 | 0 | 0 | 105 | F517 M521 | F517-A519 HydrophobicContact CB-CB 4.46Å; F517-A519 PolarHBondContact O-N 3.26Å; A519-M521 PolarHBondContact O-N 2.89Å | ||
| 520 | V | 31.6 | Very low | 31.4 | Very low | 90 Ų | 90 | 133.6 Ų | 133.6 | 55% | 0.545 | 70% | 0.703 | S | S | . | * | trans | -65.4 | 88.2 | 171.4 | -179.6 | 0 | 0 | 0 | 0 | 106.4 | Y270 D518 L522 | Y270-V520 VanDerWaalsContact OH-CB 3.24Å; Y270-V520 WeakPolarHBondContact OH-CB 3.36Å; Y270-V520 VanDerWaalsContact OH-CG2 3.31Å; Y270-V520 WeakPolarHBondContact OH-CG2 3.47Å; D518-V520 PolarHBondContact O-N 3.15Å; V520-L522 PolarHBondContact O-N 3.22Å | ||
| 521 | M | 29 | Very low | 31.2 | Very low | 119 Ų | 119 | 137 Ų | 137 | 59% | 0.586 | 71% | 0.711 | S | S | * | * | trans | -65.3 | 118.6 | 174.6 | -79.7 | -90.1 | -92.6 | 0 | 0 | 107.9 | A519 F523 | A519-M521 PolarHBondContact O-N 2.89Å; M521-F523 PolarHBondContact O-N 3.4Å; M521-F523 VanDerWaalsContact O-N 3.08Å | ||
| 522 | L | 31.4 | Very low | 31.2 | Very low | 145 Ų | 145 | 140.5 Ų | 140.5 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | trans | -56.3 | 108.7 | 166.7 | -81.3 | 154.7 | 0 | 0 | 0 | 109.7 | V520 T524 | V520-L522 PolarHBondContact O-N 3.22Å; L522-T524 HydrophobicContact CD2-CG2 4.28Å | ||
| 523 | F | 28.1 | Very low | 31 | Very low | 180 Ų | 180 | 144.2 Ų | 144.2 | 79% | 0.789 | 74% | 0.741 | S | S | * | * | trans | -105.5 | 97.5 | 143.7 | -81.5 | -80.8 | 0 | 0 | 0 | 107.1 | M521 A525 | M521-F523 PolarHBondContact O-N 3.4Å; M521-F523 VanDerWaalsContact O-N 3.08Å; F523-A525 PolarHBondContact O-N 3.37Å | ||
| 524 | T | 28.2 | Very low | 31.1 | Very low | 134 Ų | 134 | 147.8 Ų | 147.8 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | trans | -68.8 | 82.5 | 158.7 | 42.3 | 0 | 0 | 0 | 0 | 107.7 | L522 | L522-T524 HydrophobicContact CD2-CG2 4.28Š| ||
| 525 | A | 28.2 | Very low | 30.9 | Very low | 79 Ų | 79 | 145.7 Ų | 145.7 | 65% | 0.653 | 75% | 0.749 | S | S | * | * | trans | -134.8 | 60.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | F523 | F523-A525 PolarHBondContact O-N 3.37Š| ||
| 526 | F | 27.1 | Very low | 30.8 | Very low | 207 Ų | 207 | 140.2 Ų | 140.2 | 91% | 0.908 | 74% | 0.74 | S | S | * | * | trans | -134.1 | 76.2 | 169.8 | -107.8 | -84.3 | 0 | 0 | 0 | 107.6 | ||||
| 527 | E | 29.1 | Very low | 30.9 | Very low | 190 Ų | 190 | 140.4 Ų | 140.4 | 89% | 0.888 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -170.9 | 45.7 | 156 | -110.4 | 174.1 | -153.9 | 0 | 0 | 111.6 | ||
| 528 | I | 29.6 | Very low | 30.6 | Very low | 154 Ų | 154 | 146.1 Ų | 146.1 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -137.9 | 67.1 | 156.6 | -44.3 | 175.6 | 0 | 0 | 0 | 107.4 | L530 | I528-L530 HydrophobicContact CG2-CD1 4.26Å; I528-L530 HydrophobicContact CG2-CG 4.27Å; I528-L530 PolarHBondContact O-N 3.32Å | ||
| 529 | G | 32.2 | Very low | 30.2 | Very low | 85 Ų | 85 | 146.2 Ų | 146.2 | 88% | 0.876 | 78% | 0.78 | S | S | * | * | trans | -72.6 | 79.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 530 | L | 29.9 | Very low | 29.9 | Very low | 152 Ų | 152 | 153.1 Ų | 153.1 | 80% | 0.796 | 80% | 0.804 | S | S | * | * | trans | -70.1 | 119.2 | 149.7 | -80.1 | 158.7 | 0 | 0 | 0 | 107 | I528 | I528-L530 HydrophobicContact CG2-CD1 4.26Å; I528-L530 HydrophobicContact CG2-CG 4.27Å; I528-L530 PolarHBondContact O-N 3.32Å | ||
| 531 | E | 31.5 | Very low | 29.8 | Very low | 180 Ų | 180 | 158.3 Ų | 158.3 | 84% | 0.841 | 83% | 0.825 | S | S | * | * | trans | -157 | 110 | 151.4 | -115.1 | 178 | -162.1 | 0 | 0 | 111.3 | ||||
| 532 | K | 33.3 | Very low | 29.8 | Very low | 275 Ų | 275 | 161.9 Ų | 161.9 | 100% | 1.196 | 85% | 0.847 | S | S | * | * | trans | 63.8 | 0 | 153.6 | -66.3 | -179.4 | -179.5 | 172.8 | 0 | 119.6 |
Retrieved 532 of 532 residues in 108.4 ms
(Link to these results)