| 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 | 39.4 | Very low | 42.5 | Very low | 227 Ų | 227 | 161.5 Ų | 161.5 | 100% | 1.118 | 85% | 0.852 | S | S | * | * | 0 | 96.4 | 0 | -149.4 | 168.9 | -171.8 | 0 | 0 | 107.1 | |||||
| 2 | M | 38.4 | Very low | 43.6 | Very low | 196 Ų | 196 | 164.8 Ų | 164.8 | 97% | 0.966 | 85% | 0.845 | S | S | * | * | trans | -84 | 117.6 | -178.2 | -90.3 | 176.1 | 159.9 | 0 | 0 | 109.3 | ||||
| 3 | Y | 39.6 | Very low | 44.9 | Very low | 209 Ų | 209 | 169.5 Ų | 169.5 | 82% | 0.82 | 85% | 0.845 | S | S | * | * | trans | -92.5 | 114.6 | 162.1 | -92.8 | -88.2 | 0 | 0 | 0 | 108.6 | ||||
| 4 | R | 39.2 | Very low | 46.3 | Very low | 237 Ų | 237 | 170.7 Ų | 170.7 | 89% | 0.894 | 84% | 0.837 | S | S | * | * | trans | -95.5 | 105.2 | 172.5 | -134.5 | -178.1 | -174.1 | -175.2 | 1.7 | 107.3 | V6 | R4-V6 PolarHBondContact O-N 3.01Š| ||
| 5 | T | 45 | Very low | 48 | Very low | 138 Ų | 138 | 165.3 Ų | 165.3 | 85% | 0.847 | 81% | 0.813 | S | S | * | * | trans | -76.7 | 112.8 | 169.8 | 46 | 0 | 0 | 0 | 0 | 109.1 | G7 | T5-G7 PolarHBondContact O-N 2.82Š| ||
| 6 | V | 45 | Very low | 50.2 | Low | 120 Ų | 120 | 162 Ų | 162 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -81.2 | 106.2 | 171 | 177.4 | 0 | 0 | 0 | 0 | 107.8 | R4 F8 | R4-V6 PolarHBondContact O-N 3.01Å; V6-F8 PolarHBondContact O-N 2.89Å | ||
| 7 | G | 41.8 | Very low | 52.2 | Low | 75 Ų | 75 | 158.8 Ų | 158.8 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -76.5 | 112.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | T5 G9 | T5-G7 PolarHBondContact O-N 2.82Å; G7-G9 PolarHBondContact O-N 3.06Å | ||
| 8 | F | 45.2 | Very low | 54 | Low | 193 Ų | 193 | 158.5 Ų | 158.5 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | -75.7 | 96.7 | 166 | -103.9 | -90.8 | 0 | 0 | 0 | 109 | V6 T10 | V6-F8 PolarHBondContact O-N 2.89Å; F8-T10 PolarHBondContact O-N 3.08Å | ||
| 9 | G | 41 | Very low | 55.6 | Low | 73 Ų | 73 | 153 Ų | 153 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | trans | -75.1 | 101.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | G7 Q11 | G7-G9 PolarHBondContact O-N 3.06Å; G9-Q11 PolarHBondContact O-N 3.07Å | ||
| 10 | T | 47.9 | Very low | 57.1 | Low | 132 Ų | 132 | 149.5 Ų | 149.5 | 81% | 0.81 | 73% | 0.734 | S | S | * | * | trans | -70.6 | 93.5 | 164.9 | 38.9 | 0 | 0 | 0 | 0 | 109.1 | F8 R12 | F8-T10 PolarHBondContact O-N 3.08Å; T10-R12 PolarHBondContact O-N 3.23Å | ||
| 11 | Q | 45.2 | Very low | 58.5 | Low | 176 Ų | 176 | 144.7 Ų | 144.7 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | trans | -69.9 | 94 | 170.8 | -137.5 | 179.3 | 6.1 | 0 | 0 | 108.2 | G9 R13 | G9-Q11 PolarHBondContact O-N 3.07Å; Q11-R13 PolarHBondContact O-N 3.43Å | ||
| 12 | R | 55.4 | Low | 61 | Low | 201 Ų | 201 | 137.7 Ų | 137.7 | 76% | 0.758 | 69% | 0.688 | S | S | * | * | trans | -64.1 | 99.2 | 166.3 | -100 | -176.4 | 176.8 | -179.8 | 0.6 | 107.3 | T10 Y14 | T10-R12 PolarHBondContact O-N 3.23Å; R12-Y14 VanDerWaalsContact C-N 3.29Å; R12-Y14 HydrophobicContact CB-CD2 4.24Å; R12-Y14 HydrophobicContact CB-CE2 4.15Å; R12-Y14 PolarHBondContact O-N 3.26Å | ||
| 13 | R | 60.4 | Low | 63.4 | Low | 227 Ų | 227 | 133 Ų | 133 | 86% | 0.857 | 67% | 0.667 | S | S | * | * | trans | -64.4 | 94.1 | 165.9 | -79 | -177.4 | 175.6 | 179 | -1.8 | 107.6 | Q11 L15 | Q11-R13 PolarHBondContact O-N 3.43Å; R13-L15 PolarHBondContact O-N 3.43Å | ||
| 14 | Y | 65.1 | Low | 65.9 | Low | 186 Ų | 186 | 127.4 Ų | 127.4 | 73% | 0.729 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 120 | 164.8 | -88.2 | -93.7 | 0 | 0 | 0 | 107.2 | R12 E16 | R12-Y14 VanDerWaalsContact C-N 3.29Å; R12-Y14 HydrophobicContact CB-CD2 4.24Å; R12-Y14 HydrophobicContact CB-CE2 4.15Å; R12-Y14 PolarHBondContact O-N 3.26Å; Y14-E16 PolarHBondContact O-N 3.11Å |
| 15 | L | 71.8 | Confident | 68.5 | Low | 90 Ų | 90 | 120.2 Ų | 120.2 | 47% | 0.471 | 63% | 0.633 | S | S | . | * | P | Polyproline II helix | trans | -61.5 | 123.2 | 170.8 | -78.1 | 155.5 | 0 | 0 | 0 | 107.3 | R13 M19 I20 L23 | R13-L15 PolarHBondContact O-N 3.43Å; L15-M19 HydrophobicContact CB-CB 4.41Å; L15-M19 HydrophobicContact CB-CE 4.24Å; L15-M19 HydrophobicContact CD2-CB 3.87Å; L15-M19 HydrophobicContact CD2-CE 3.78Å; L15-M19 HydrophobicContact CD2-SD 3.98Å; L15-I20 HydrophobicContact CB-CD1 4.29Å; L15-I20 HydrophobicContact CB-CG1 3.77Å; L15-L23 HydrophobicContact CD1-CD1 4.13Å |
| 16 | E | 82.6 | Confident | 70.8 | Confident | 112 Ų | 112 | 118.7 Ų | 118.7 | 52% | 0.523 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -54.8 | 146.7 | 172.1 | -65.4 | -158.9 | 157.2 | 0 | 0 | 110.6 | Y14 W18 M19 I20 | Y14-E16 PolarHBondContact O-N 3.11Å; E16-W18 HydrophobicContact CB-CG 4.48Å; E16-W18 PolarHBondContact O-N 3.5Å; E16-W18 VanDerWaalsContact OE2-CD1 3.3Å; E16-W18 PolarHBondContact OE2-NE1 2.97Å; E16-M19 HydrophobicContact CB-CE 3.84Å; E16-M19 HydrophobicContact CG-CE 4.05Å; E16-M19 WeakPolarHBondContact O-CB 3.35Å; E16-M19 PolarHBondContact O-N 2.86Å; E16-I20 PolarHBondContact O-N 2.84Å |
| 17 | P | 84.6 | Confident | 73.1 | Confident | 108 Ų | 108 | 116.1 Ų | 116.1 | 70% | 0.701 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -52.5 | -34 | -173.9 | -28.7 | 34.8 | 0 | 0 | 0 | 114.4 | I20 A21 | P17-I20 PolarHBondContact O-N 2.6Å; P17-A21 PolarHBondContact O-N 3.07Å |
| 18 | W | 85 | Confident | 75.6 | Confident | 153 Ų | 153 | 117.7 Ų | 117.7 | 58% | 0.58 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -68.4 | -34.1 | 177.1 | 70.7 | -93.3 | 0 | 0 | 0 | 112.7 | E16 A21 V22 | E16-W18 HydrophobicContact CB-CG 4.48Å; E16-W18 PolarHBondContact O-N 3.5Å; E16-W18 VanDerWaalsContact OE2-CD1 3.3Å; E16-W18 PolarHBondContact OE2-NE1 2.97Å; W18-A21 PolarHBondContact O-N 2.88Å; W18-V22 HydrophobicContact CE3-CG2 4.26Å; W18-V22 VanDerWaalsContact O-CG2 3.32Å; W18-V22 WeakPolarHBondContact O-CG2 3.47Å; W18-V22 PolarHBondContact O-N 3.39Å |
| 19 | M | 83.8 | Confident | 77.9 | Confident | 54 Ų | 54 | 111.9 Ų | 111.9 | 27% | 0.266 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69.5 | -37 | 176.3 | -65.2 | -167.9 | -73.5 | 0 | 0 | 111.3 | L15 E16 V22 L23 | L15-M19 HydrophobicContact CB-CB 4.41Å; L15-M19 HydrophobicContact CB-CE 4.24Å; L15-M19 HydrophobicContact CD2-CB 3.87Å; L15-M19 HydrophobicContact CD2-CE 3.78Å; L15-M19 HydrophobicContact CD2-SD 3.98Å; E16-M19 HydrophobicContact CB-CE 3.84Å; E16-M19 HydrophobicContact CG-CE 4.05Å; E16-M19 WeakPolarHBondContact O-CB 3.35Å; E16-M19 PolarHBondContact O-N 2.86Å; M19-V22 PolarHBondContact O-N 3.11Å; M19-L23 WeakPolarHBondContact O-CG 3.32Å; M19-L23 PolarHBondContact O-N 2.89Å |
| 20 | I | 86.3 | Confident | 80.5 | Confident | 82 Ų | 82 | 112.2 Ų | 112.2 | 42% | 0.421 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.2 | -44.8 | 173.5 | -59.7 | 175.2 | 0 | 0 | 0 | 109.8 | L15 E16 P17 V22 L23 I24 | L15-I20 HydrophobicContact CB-CD1 4.29Å; L15-I20 HydrophobicContact CB-CG1 3.77Å; E16-I20 PolarHBondContact O-N 2.84Å; P17-I20 PolarHBondContact O-N 2.6Å; I20-V22 PolarHBondContact O-N 3.11Å; I20-L23 PolarHBondContact O-N 3.1Å; I20-I24 HydrophobicContact CG2-CD1 3.86Å; I20-I24 HydrophobicContact CG2-CG1 4.47Å; I20-I24 VanDerWaalsContact O-CG1 3.3Å; I20-I24 WeakPolarHBondContact O-CG1 3.24Å; I20-I24 PolarHBondContact O-N 2.87Å |
| 21 | A | 86.8 | Confident | 82.7 | Confident | 50 Ų | 50 | 109.5 Ų | 109.5 | 41% | 0.413 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | P17 W18 I24 V25 | P17-A21 PolarHBondContact O-N 3.07Å; W18-A21 PolarHBondContact O-N 2.88Å; A21-I24 PolarHBondContact O-N 3.01Å; A21-V25 WeakPolarHBondContact O-CG2 3.27Å; A21-V25 PolarHBondContact O-N 3.35Å |
| 22 | V | 89.9 | Confident | 85.1 | Confident | 79 Ų | 79 | 104 Ų | 104 | 48% | 0.479 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.8 | -45 | 176.4 | 170.1 | 0 | 0 | 0 | 0 | 111.4 | W18 M19 I20 I24 V25 L26 | W18-V22 HydrophobicContact CE3-CG2 4.26Å; W18-V22 VanDerWaalsContact O-CG2 3.32Å; W18-V22 WeakPolarHBondContact O-CG2 3.47Å; W18-V22 PolarHBondContact O-N 3.39Å; M19-V22 PolarHBondContact O-N 3.11Å; I20-V22 PolarHBondContact O-N 3.11Å; V22-I24 VanDerWaalsContact C-N 3.35Å; V22-I24 PolarHBondContact O-N 3.34Å; V22-V25 PolarHBondContact O-N 3.46Å; V22-L26 WeakPolarHBondContact O-CB 3.45Å; V22-L26 PolarHBondContact O-N 3.42Å |
| 23 | L | 89.5 | Confident | 86.9 | Confident | 97 Ų | 97 | 98.7 Ų | 98.7 | 51% | 0.508 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64 | -39.1 | 178.5 | -72.8 | 169.7 | 0 | 0 | 0 | 112.3 | L15 M19 I20 L26 S27 | L15-L23 HydrophobicContact CD1-CD1 4.13Å; M19-L23 WeakPolarHBondContact O-CG 3.32Å; M19-L23 PolarHBondContact O-N 2.89Å; I20-L23 PolarHBondContact O-N 3.1Å; L23-L26 PolarHBondContact O-N 2.83Å; L23-S27 WeakPolarHBondContact O-CB 3.36Å; L23-S27 PolarHBondContact O-N 3.23Å |
| 24 | I | 91.9 | Very high | 88.5 | Confident | 92 Ų | 92 | 90.9 Ų | 90.9 | 47% | 0.472 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.8 | -50.4 | 175.7 | -69.7 | 167.6 | 0 | 0 | 0 | 110 | I20 A21 V22 L26 S27 L28 | I20-I24 HydrophobicContact CG2-CD1 3.86Å; I20-I24 HydrophobicContact CG2-CG1 4.47Å; I20-I24 VanDerWaalsContact O-CG1 3.3Å; I20-I24 WeakPolarHBondContact O-CG1 3.24Å; I20-I24 PolarHBondContact O-N 2.87Å; A21-I24 PolarHBondContact O-N 3.01Å; V22-I24 VanDerWaalsContact C-N 3.35Å; V22-I24 PolarHBondContact O-N 3.34Å; I24-L26 VanDerWaalsContact C-N 3.32Å; I24-L26 PolarHBondContact O-N 2.91Å; I24-S27 PolarHBondContact O-N 2.9Å; I24-S27 PolarHBondContact O-OG 3.21Å; I24-L28 HydrophobicContact CG2-CD1 3.89Å; I24-L28 HydrophobicContact CG2-CG 4.4Å; I24-L28 WeakPolarHBondContact O-CG 3.11Å; I24-L28 PolarHBondContact O-N 3.33Å |
| 25 | V | 93.4 | Very high | 89.8 | Confident | 87 Ų | 87 | 86.5 Ų | 86.5 | 53% | 0.527 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.6 | -42.4 | 178.8 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | A21 V22 S27 L28 T29 | A21-V25 WeakPolarHBondContact O-CG2 3.27Å; A21-V25 PolarHBondContact O-N 3.35Å; V22-V25 PolarHBondContact O-N 3.46Å; V25-S27 PolarHBondContact O-N 2.78Å; V25-L28 PolarHBondContact O-N 3.34Å; V25-T29 HydrophobicContact CG1-CG2 4.47Å; V25-T29 WeakPolarHBondContact O-CG2 3.29Å; V25-T29 PolarHBondContact O-N 3.26Å; V25-T29 PolarHBondContact O-OG1 3.05Å |
| 26 | L | 93.4 | Very high | 90.5 | Very high | 106 Ų | 106 | 84.1 Ų | 84.1 | 56% | 0.555 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65 | -39.4 | 177.7 | -153.4 | 106.1 | 0 | 0 | 0 | 111.7 | V22 L23 I24 T29 V30 | V22-L26 WeakPolarHBondContact O-CB 3.45Å; V22-L26 PolarHBondContact O-N 3.42Å; L23-L26 PolarHBondContact O-N 2.83Å; I24-L26 VanDerWaalsContact C-N 3.32Å; I24-L26 PolarHBondContact O-N 2.91Å; L26-T29 WeakPolarHBondContact CA-OG1 3.36Å; L26-T29 PolarHBondContact O-OG1 3.41Å; L26-V30 VanDerWaalsContact O-CG2 3.26Å; L26-V30 WeakPolarHBondContact O-CG2 3.18Å; L26-V30 PolarHBondContact O-N 2.88Å |
| 27 | S | 93.6 | Very high | 90.4 | Very high | 66 Ų | 66 | 82.8 Ų | 82.8 | 46% | 0.462 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.1 | -41.7 | 175 | 85.7 | 0 | 0 | 0 | 0 | 111.6 | L23 I24 V25 T29 V30 V31 | L23-S27 WeakPolarHBondContact O-CB 3.36Å; L23-S27 PolarHBondContact O-N 3.23Å; I24-S27 PolarHBondContact O-N 2.9Å; I24-S27 PolarHBondContact O-OG 3.21Å; V25-S27 PolarHBondContact O-N 2.78Å; S27-T29 PolarHBondContact O-N 3.31Å; S27-V30 PolarHBondContact O-N 2.94Å; S27-V31 WeakPolarHBondContact O-CB 3.35Å; S27-V31 VanDerWaalsContact O-CG2 3.27Å; S27-V31 WeakPolarHBondContact O-CG2 3.36Å; S27-V31 PolarHBondContact O-N 2.83Å |
| 28 | L | 95 | Very high | 90.1 | Very high | 108 Ų | 108 | 82.6 Ų | 82.6 | 57% | 0.565 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -66.2 | -38.5 | 179.6 | -72.2 | 172 | 0 | 0 | 0 | 111.6 | I24 V25 V31 A32 | I24-L28 HydrophobicContact CG2-CD1 3.89Å; I24-L28 HydrophobicContact CG2-CG 4.4Å; I24-L28 WeakPolarHBondContact O-CG 3.11Å; I24-L28 PolarHBondContact O-N 3.33Å; V25-L28 PolarHBondContact O-N 3.34Å; L28-V31 PolarHBondContact O-N 3.27Å; L28-A32 VanDerWaalsContact O-CB 3.32Å; L28-A32 WeakPolarHBondContact O-CB 3.47Å; L28-A32 PolarHBondContact O-N 2.88Å |
| 29 | T | 93.2 | Very high | 89.7 | Confident | 71 Ų | 71 | 78.9 Ų | 78.9 | 44% | 0.436 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.7 | -41.8 | 175.3 | 53.5 | 0 | 0 | 0 | 0 | 111.7 | V25 L26 S27 V31 A32 V33 | V25-T29 HydrophobicContact CG1-CG2 4.47Å; V25-T29 WeakPolarHBondContact O-CG2 3.29Å; V25-T29 PolarHBondContact O-N 3.26Å; V25-T29 PolarHBondContact O-OG1 3.05Å; L26-T29 WeakPolarHBondContact CA-OG1 3.36Å; L26-T29 PolarHBondContact O-OG1 3.41Å; S27-T29 PolarHBondContact O-N 3.31Å; T29-V31 VanDerWaalsContact C-N 3.34Å; T29-V31 PolarHBondContact O-N 3.32Å; T29-A32 PolarHBondContact O-N 2.76Å; T29-V33 WeakPolarHBondContact O-CB 3.38Å; T29-V33 VanDerWaalsContact O-CG2 3.27Å; T29-V33 WeakPolarHBondContact O-CG2 3.41Å; T29-V33 PolarHBondContact O-N 2.81Å |
| 30 | V | 95.2 | Very high | 89 | Confident | 80 Ų | 80 | 81 Ų | 81 | 49% | 0.485 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 174.5 | 171.4 | 0 | 0 | 0 | 0 | 111 | L26 S27 V33 T34 | L26-V30 VanDerWaalsContact O-CG2 3.26Å; L26-V30 WeakPolarHBondContact O-CG2 3.18Å; L26-V30 PolarHBondContact O-N 2.88Å; S27-V30 PolarHBondContact O-N 2.94Å; V30-V33 PolarHBondContact O-N 3.15Å; V30-T34 HydrophobicContact CG1-CG2 4.39Å; V30-T34 WeakPolarHBondContact O-CB 3.08Å; V30-T34 WeakPolarHBondContact O-CG2 3.39Å; V30-T34 PolarHBondContact O-N 2.77Å; V30-T34 PolarHBondContact O-OG1 2.83Å |
| 31 | V | 95.4 | Very high | 87.9 | Confident | 74 Ų | 74 | 82.8 Ų | 82.8 | 45% | 0.448 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 175.9 | 172.3 | 0 | 0 | 0 | 0 | 111 | S27 L28 T29 V33 T34 I35 | S27-V31 WeakPolarHBondContact O-CB 3.35Å; S27-V31 VanDerWaalsContact O-CG2 3.27Å; S27-V31 WeakPolarHBondContact O-CG2 3.36Å; S27-V31 PolarHBondContact O-N 2.83Å; L28-V31 PolarHBondContact O-N 3.27Å; T29-V31 VanDerWaalsContact C-N 3.34Å; T29-V31 PolarHBondContact O-N 3.32Å; V31-V33 PolarHBondContact O-N 2.99Å; V31-T34 WeakPolarHBondContact CA-OG1 3.41Å; V31-T34 PolarHBondContact O-N 2.83Å; V31-T34 PolarHBondContact O-OG1 2.8Å; V31-I35 HydrophobicContact CG1-CD1 3.62Å; V31-I35 HydrophobicContact CG1-CG1 4.36Å; V31-I35 WeakPolarHBondContact O-CB 3.24Å; V31-I35 VanDerWaalsContact O-CG1 3.22Å; V31-I35 WeakPolarHBondContact O-CG1 3.14Å; V31-I35 PolarHBondContact O-N 2.82Å |
| 32 | A | 95 | Very high | 86.7 | Confident | 62 Ų | 62 | 85.7 Ų | 85.7 | 51% | 0.512 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L28 T29 G36 | L28-A32 VanDerWaalsContact O-CB 3.32Å; L28-A32 WeakPolarHBondContact O-CB 3.47Å; L28-A32 PolarHBondContact O-N 2.88Å; T29-A32 PolarHBondContact O-N 2.76Å; A32-G36 PolarHBondContact O-N 2.89Å |
| 33 | V | 93.9 | Very high | 85 | Confident | 88 Ų | 88 | 85.6 Ų | 85.6 | 53% | 0.533 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.3 | -42.1 | 177.3 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | T29 V30 V31 G36 L37 | T29-V33 WeakPolarHBondContact O-CB 3.38Å; T29-V33 VanDerWaalsContact O-CG2 3.27Å; T29-V33 WeakPolarHBondContact O-CG2 3.41Å; T29-V33 PolarHBondContact O-N 2.81Å; V30-V33 PolarHBondContact O-N 3.15Å; V31-V33 PolarHBondContact O-N 2.99Å; V33-G36 PolarHBondContact O-N 2.65Å; V33-L37 HydrophobicContact CG1-CD1 3.88Å; V33-L37 HydrophobicContact CG1-CG 4.29Å; V33-L37 WeakPolarHBondContact O-CB 3.25Å; V33-L37 VanDerWaalsContact O-CG 3.29Å; V33-L37 WeakPolarHBondContact O-CG 3.46Å; V33-L37 PolarHBondContact O-N 2.77Å |
| 34 | T | 92.9 | Very high | 83.2 | Confident | 64 Ų | 64 | 88.2 Ų | 88.2 | 39% | 0.393 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.6 | -42.2 | 177.9 | 47.2 | 0 | 0 | 0 | 0 | 111.8 | V30 V31 L37 L38 | V30-T34 HydrophobicContact CG1-CG2 4.39Å; V30-T34 WeakPolarHBondContact O-CB 3.08Å; V30-T34 WeakPolarHBondContact O-CG2 3.39Å; V30-T34 PolarHBondContact O-N 2.77Å; V30-T34 PolarHBondContact O-OG1 2.83Å; V31-T34 WeakPolarHBondContact CA-OG1 3.41Å; V31-T34 PolarHBondContact O-N 2.83Å; V31-T34 PolarHBondContact O-OG1 2.8Å; T34-L37 PolarHBondContact O-N 2.8Å; T34-L38 VanDerWaalsContact O-CB 3.28Å; T34-L38 WeakPolarHBondContact O-CB 3.4Å; T34-L38 WeakPolarHBondContact O-CD1 3.48Å; T34-L38 VanDerWaalsContact O-CG 3.25Å; T34-L38 WeakPolarHBondContact O-CG 3.1Å; T34-L38 PolarHBondContact O-N 2.88Å |
| 35 | I | 91.6 | Very high | 81.4 | Confident | 94 Ų | 94 | 90.2 Ų | 90.2 | 48% | 0.482 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 171.5 | -67.3 | 168.6 | 0 | 0 | 0 | 110.3 | V31 L37 L38 V39 | V31-I35 HydrophobicContact CG1-CD1 3.62Å; V31-I35 HydrophobicContact CG1-CG1 4.36Å; V31-I35 WeakPolarHBondContact O-CB 3.24Å; V31-I35 VanDerWaalsContact O-CG1 3.22Å; V31-I35 WeakPolarHBondContact O-CG1 3.14Å; V31-I35 PolarHBondContact O-N 2.82Å; I35-L37 PolarHBondContact O-N 2.9Å; I35-L38 PolarHBondContact O-N 3.31Å; I35-V39 HydrophobicContact CG2-CG2 4.24Å; I35-V39 WeakPolarHBondContact O-CB 3.49Å; I35-V39 VanDerWaalsContact O-CG2 3.27Å; I35-V39 WeakPolarHBondContact O-CG2 3.31Å; I35-V39 PolarHBondContact O-N 3.28Å |
| 36 | G | 87.3 | Confident | 79.8 | Confident | 39 Ų | 39 | 89.9 Ų | 89.9 | 40% | 0.402 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.6 | -43 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A32 V33 H40 | A32-G36 PolarHBondContact O-N 2.89Å; V33-G36 PolarHBondContact O-N 2.65Å; G36-H40 VanDerWaalsContact O-CB 3.24Å; G36-H40 WeakPolarHBondContact O-CB 3.34Å; G36-H40 PolarHBondContact O-N 3.39Å |
| 37 | L | 80.6 | Confident | 78.7 | Confident | 85 Ų | 85 | 91.1 Ų | 91.1 | 45% | 0.445 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.4 | -43.5 | 173.9 | -73.5 | 172.3 | 0 | 0 | 0 | 111.4 | V33 T34 I35 V39 H40 F41 | V33-L37 HydrophobicContact CG1-CD1 3.88Å; V33-L37 HydrophobicContact CG1-CG 4.29Å; V33-L37 WeakPolarHBondContact O-CB 3.25Å; V33-L37 VanDerWaalsContact O-CG 3.29Å; V33-L37 WeakPolarHBondContact O-CG 3.46Å; V33-L37 PolarHBondContact O-N 2.77Å; T34-L37 PolarHBondContact O-N 2.8Å; I35-L37 PolarHBondContact O-N 2.9Å; L37-V39 PolarHBondContact O-N 2.92Å; L37-H40 CarbonylContact O-C 3.54Å; L37-H40 PolarHBondContact O-N 2.81Å; L37-F41 HydrophobicContact CB-CD2 4.36Å; L37-F41 HydrophobicContact CB-CE2 4.47Å; L37-F41 HydrophobicContact CD2-CE2 4.23Å; L37-F41 WeakPolarHBondContact O-CB 3.33Å; L37-F41 WeakPolarHBondContact O-CD2 3.48Å; L37-F41 PolarHBondContact O-N 2.84Å |
| 38 | L | 78.4 | Confident | 78.1 | Confident | 103 Ų | 103 | 91.2 Ų | 91.2 | 54% | 0.539 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.8 | -46.4 | 175.5 | -80.4 | 165 | 0 | 0 | 0 | 111.1 | T34 I35 F41 L42 | T34-L38 VanDerWaalsContact O-CB 3.28Å; T34-L38 WeakPolarHBondContact O-CB 3.4Å; T34-L38 WeakPolarHBondContact O-CD1 3.48Å; T34-L38 VanDerWaalsContact O-CG 3.25Å; T34-L38 WeakPolarHBondContact O-CG 3.1Å; T34-L38 PolarHBondContact O-N 2.88Å; I35-L38 PolarHBondContact O-N 3.31Å; L38-F41 PolarHBondContact O-N 3.23Å; L38-L42 HydrophobicContact CB-CD1 4.49Å; L38-L42 WeakPolarHBondContact O-CB 3.44Å; L38-L42 WeakPolarHBondContact O-CD1 3.39Å; L38-L42 WeakPolarHBondContact O-CG 3.39Å; L38-L42 PolarHBondContact O-N 3.31Å |
| 39 | V | 76.4 | Confident | 77.8 | Confident | 75 Ų | 75 | 87 Ų | 87 | 46% | 0.455 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 174.6 | 173 | 0 | 0 | 0 | 0 | 110.2 | I35 L37 F41 L42 V43 | I35-V39 HydrophobicContact CG2-CG2 4.24Å; I35-V39 WeakPolarHBondContact O-CB 3.49Å; I35-V39 VanDerWaalsContact O-CG2 3.27Å; I35-V39 WeakPolarHBondContact O-CG2 3.31Å; I35-V39 PolarHBondContact O-N 3.28Å; L37-V39 PolarHBondContact O-N 2.92Å; V39-F41 PolarHBondContact O-N 3.27Å; V39-L42 PolarHBondContact O-N 3.26Å; V39-V43 HydrophobicContact CG1-CB 4.48Å; V39-V43 HydrophobicContact CG1-CG2 3.9Å; V39-V43 WeakPolarHBondContact O-CA 3.43Å; V39-V43 WeakPolarHBondContact O-CB 3.39Å; V39-V43 VanDerWaalsContact O-CG2 3.27Å; V39-V43 WeakPolarHBondContact O-CG2 3.25Å; V39-V43 PolarHBondContact O-N 3.26Å |
| 40 | H | 69.3 | Low | 77.6 | Confident | 99 Ų | 99 | 84.7 Ų | 84.7 | 46% | 0.458 | 45% | 0.451 | S | S | . | . | I | π-helix | trans | -60.6 | -46.9 | 176.5 | -173.8 | 70.3 | 0 | 0 | 0 | 111.9 | G36 L37 F44 H45 | G36-H40 VanDerWaalsContact O-CB 3.24Å; G36-H40 WeakPolarHBondContact O-CB 3.34Å; G36-H40 PolarHBondContact O-N 3.39Å; L37-H40 CarbonylContact O-C 3.54Å; L37-H40 PolarHBondContact O-N 2.81Å; H40-F44 AromaticContact ND1-CD2 3.75Å; H40-F44 AromaticContact ND1-CG 3.89Å; H40-F44 WeakPolarHBondContact O-CA 3.49Å; H40-F44 WeakPolarHBondContact O-CB 3.47Å; H40-F44 PolarHBondContact O-N 3.05Å; H40-H45 PolarHBondContact O-N 2.7Å |
| 41 | F | 62.5 | Low | 77.5 | Confident | 120 Ų | 120 | 80.9 Ų | 80.9 | 53% | 0.526 | 43% | 0.428 | S | S | . | . | I | π-helix | trans | -70.8 | -36.5 | 178.5 | -77.9 | -66.8 | 0 | 0 | 0 | 112.9 | L37 L38 V39 H45 | L37-F41 HydrophobicContact CB-CD2 4.36Å; L37-F41 HydrophobicContact CB-CE2 4.47Å; L37-F41 HydrophobicContact CD2-CE2 4.23Å; L37-F41 WeakPolarHBondContact O-CB 3.33Å; L37-F41 WeakPolarHBondContact O-CD2 3.48Å; L37-F41 PolarHBondContact O-N 2.84Å; L38-F41 PolarHBondContact O-N 3.23Å; V39-F41 PolarHBondContact O-N 3.27Å; F41-H45 AromaticContact CD1-CD2 3.95Å; F41-H45 WeakPolarHBondContact O-CB 3.19Å; F41-H45 PolarHBondContact O-N 2.96Å |
| 42 | L | 61.6 | Low | 77.4 | Confident | 110 Ų | 110 | 79.8 Ų | 79.8 | 58% | 0.576 | 42% | 0.418 | S | S | * | . | I | π-helix | trans | -77.8 | -33 | 179.7 | -69.6 | 169.2 | 0 | 0 | 0 | 113.1 | L38 V39 | L38-L42 HydrophobicContact CB-CD1 4.49Å; L38-L42 WeakPolarHBondContact O-CB 3.44Å; L38-L42 WeakPolarHBondContact O-CD1 3.39Å; L38-L42 WeakPolarHBondContact O-CG 3.39Å; L38-L42 PolarHBondContact O-N 3.31Å; V39-L42 PolarHBondContact O-N 3.26Å |
| 43 | V | 55.2 | Low | 77.3 | Confident | 78 Ų | 78 | 76.8 Ų | 76.8 | 47% | 0.473 | 39% | 0.393 | S | S | . | . | I | π-helix | trans | -99 | -41.2 | -175.3 | -179.6 | 0 | 0 | 0 | 0 | 112.2 | V39 | V39-V43 HydrophobicContact CG1-CB 4.48Å; V39-V43 HydrophobicContact CG1-CG2 3.9Å; V39-V43 WeakPolarHBondContact O-CA 3.43Å; V39-V43 WeakPolarHBondContact O-CB 3.39Å; V39-V43 VanDerWaalsContact O-CG2 3.27Å; V39-V43 WeakPolarHBondContact O-CG2 3.25Å; V39-V43 PolarHBondContact O-N 3.26Å |
| 44 | F | 52 | Low | 77.2 | Confident | 152 Ų | 152 | 73.2 Ų | 73.2 | 67% | 0.667 | 37% | 0.372 | S | S | * | . | I | π-helix | trans | -96.5 | -19.3 | -174.8 | -72.1 | -92.4 | 0 | 0 | 0 | 114.1 | H40 Q46 | H40-F44 AromaticContact ND1-CD2 3.75Å; H40-F44 AromaticContact ND1-CG 3.89Å; H40-F44 WeakPolarHBondContact O-CA 3.49Å; H40-F44 WeakPolarHBondContact O-CB 3.47Å; H40-F44 PolarHBondContact O-N 3.05Å; F44-Q46 PolarHBondContact O-N 3.01Å; F44-Q46 VanDerWaalsContact O-N 3.08Å |
| 45 | H | 53 | Low | 77.1 | Confident | 134 Ų | 134 | 70.1 Ų | 70.1 | 62% | 0.62 | 35% | 0.353 | S | S | * | . | trans | -88.4 | 54.6 | 174.6 | -137.7 | -3.4 | 0 | 0 | 0 | 111.9 | H40 F41 K47 | H40-H45 PolarHBondContact O-N 2.7Å; F41-H45 AromaticContact CD1-CD2 3.95Å; F41-H45 WeakPolarHBondContact O-CB 3.19Å; F41-H45 PolarHBondContact O-N 2.96Å; H45-K47 PolarHBondContact O-N 3.03Å | ||
| 46 | Q | 60.3 | Low | 77 | Confident | 80 Ų | 80 | 67.8 Ų | 67.8 | 37% | 0.374 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 118 | 172.2 | -61.8 | -177.1 | -7.5 | 0 | 0 | 109.4 | F44 Q125 | F44-Q46 PolarHBondContact O-N 3.01Å; F44-Q46 VanDerWaalsContact O-N 3.08Å; Q46-Q125 HydrophobicContact CB-CG 3.46Å; Q46-Q125 VanDerWaalsContact CB-CG 3.46Å; Q46-Q125 HydrophobicContact CG-CG 4.4Å; Q46-Q125 PolarHBondContact O-NE2 3.08Å; Q46-Q125 VanDerWaalsContact OE1-CG 3.29Å |
| 47 | K | 69.8 | Low | 76.9 | Confident | 132 Ų | 132 | 66 Ų | 66 | 57% | 0.574 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 131.7 | -175.1 | -168.1 | 174.5 | -179 | 177.6 | 0 | 110.3 | H45 E49 S167 | H45-K47 PolarHBondContact O-N 3.03Å; K47-E49 PolarHBondContact O-N 3.18Å; K47-S167 VanDerWaalsContact CE-OG 3.31Å; K47-S167 WeakPolarHBondContact CE-OG 3.32Å |
| 48 | M | 81.8 | Confident | 77 | Confident | 68 Ų | 68 | 65.5 Ų | 65.5 | 34% | 0.335 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 125 | 168.7 | -67.2 | -63.9 | 178 | 0 | 0 | 109.5 | Y50 I102 V123 F124 Q125 S167 | M48-Y50 HydrophobicContact CB-CE2 4.03Å; M48-I102 HydrophobicContact CE-CD1 4.41Å; M48-I102 HydrophobicContact CE-CG1 4.3Å; M48-I102 HydrophobicContact SD-CG1 4.03Å; M48-V123 HydrophobicContact SD-CG1 4.14Å; M48-F124 WeakPolarHBondContact CA-O 3.16Å; M48-Q125 HydrophobicContact CE-CB 4.37Å; M48-Q125 HydrophobicContact CE-CG 4.37Å; M48-Q125 HydrophobicContact SD-CB 3.95Å; M48-Q125 HydrophobicContact SD-CG 4.29Å; M48-S167 PolarHBondContact O-OG 2.58Å |
| 49 | E | 88.1 | Confident | 76.5 | Confident | 19 Ų | 19 | 62.3 Ų | 62.3 | 9% | 0.089 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 141.3 | 175.4 | -64.9 | -164.3 | 167.8 | 0 | 0 | 110.2 | K47 Y51 V123 F124 F126 R135 | K47-E49 PolarHBondContact O-N 3.18Å; E49-Y51 HydrophobicContact CB-CD2 4.48Å; E49-Y51 HydrophobicContact CB-CE2 3.68Å; E49-Y51 PolarHBondContact OE2-OH 3.35Å; E49-V123 WeakPolarHBondContact O-CA 3.16Å; E49-F124 PolarHBondContact N-O 2.83Å; E49-F124 PolarHBondContact O-N 3.44Å; E49-F126 HydrophobicContact CB-CD2 4.36Å; E49-F126 HydrophobicContact CG-CD2 4.37Å; E49-R135 IonicContact OE1-CZ 3.23Å; E49-R135 IonicContact OE1-NE 3.55Å; E49-R135 IonicContact OE1-NH2 3.27Å; E49-R135 PolarHBondContact OE1-NH2 2.82Å; E49-R135 IonicContact OE2-CZ 2.74Å; E49-R135 IonicContact OE2-NE 3.19Å; E49-R135 PolarHBondContact OE2-NE 2.66Å; E49-R135 IonicContact OE2-NH2 3.01Å; E49-R135 PolarHBondContact OE2-NH2 3.43Å |
| 50 | Y | 89.8 | Confident | 75.3 | Confident | 23 Ų | 23 | 63.8 Ų | 63.8 | 9% | 0.09 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 134.9 | -175.2 | -59 | -98.3 | 0 | 0 | 0 | 109.1 | M48 I121 M122 V123 R132 M165 G170 E171 V174 | M48-Y50 HydrophobicContact CB-CE2 4.03Å; Y50-I121 HydrophobicContact CD1-CG2 4.14Å; Y50-M122 WeakPolarHBondContact CA-O 3.47Å; Y50-V123 HydrophobicContact CD1-CG1 4.41Å; Y50-V123 HydrophobicContact CD1-CG2 3.85Å; Y50-V123 HydrophobicContact CE1-CG1 4.12Å; Y50-V123 HydrophobicContact CE1-CG2 3.91Å; Y50-R132 PolarHBondContact O-NH2 3.28Å; Y50-M165 PolarHBondContact O-N 3.36Å; Y50-G170 VanDerWaalsContact CD1-C 3.43Å; Y50-E171 HydrophobicContact CE1-CB 4.4Å; Y50-E171 HydrophobicContact CE2-CB 4.01Å; Y50-V174 HydrophobicContact CD1-CG2 4.07Å; Y50-V174 HydrophobicContact CE1-CG2 4.04Å |
| 51 | Y | 92.7 | Very high | 74.5 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 124.9 | -179.4 | -65.8 | -96.3 | 0 | 0 | 0 | 109 | E49 M122 F124 F126 R135 E136 I139 V162 N163 A164 | E49-Y51 HydrophobicContact CB-CD2 4.48Å; E49-Y51 HydrophobicContact CB-CE2 3.68Å; E49-Y51 PolarHBondContact OE2-OH 3.35Å; Y51-M122 PolarHBondContact N-O 3.16Å; Y51-M122 PolarHBondContact O-N 2.85Å; Y51-F124 AromaticContact CD2-CD2 3.64Å; Y51-F124 HydrophobicContact CD2-CD2 3.64Å; Y51-F124 HydrophobicContact CD2-CE2 4.16Å; Y51-F124 HydrophobicContact CE2-CB 4.49Å; Y51-F124 HydrophobicContact CE2-CD2 4.04Å; Y51-F126 HydrophobicContact CE2-CE2 4.04Å; Y51-R135 WeakPolarHBondContact OH-CB 3.5Å; Y51-R135 PolarHBondContact OH-NE 3.33Å; Y51-E136 HydrophobicContact CD1-CB 4.45Å; Y51-E136 HydrophobicContact CE1-CB 3.99Å; Y51-I139 HydrophobicContact CD1-CD1 3.99Å; Y51-I139 HydrophobicContact CD2-CD1 4.01Å; Y51-I139 HydrophobicContact CE1-CD1 3.79Å; Y51-I139 HydrophobicContact CE2-CD1 3.84Å; Y51-I139 HydrophobicContact CG-CD1 4.09Å; Y51-V162 HydrophobicContact CD1-CG1 4.04Å; Y51-V162 HydrophobicContact CG-CG1 4.4Å; Y51-N163 WeakPolarHBondContact CA-O 3.34Å; Y51-A164 HydrophobicContact CD1-CB 3.82Å; Y51-A164 HydrophobicContact CE1-CB 3.65Å |
| 52 | H | 93.4 | Very high | 74 | Confident | 50 Ų | 50 | 60.6 Ų | 60.6 | 23% | 0.231 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 112.3 | 174.5 | 178.7 | -111.1 | 0 | 0 | 0 | 109.2 | D119 I121 V162 N163 M165 | H52-D119 IonicContact CE1-OD1 3.68Å; H52-D119 PolarHBondContact CE1-OD1 2.99Å; H52-D119 VanDerWaalsContact CE1-OD1 3.32Å; H52-D119 WeakPolarHBondContact NE2-CB 3.35Å; H52-D119 IonicContact NE2-OD1 2.58Å; H52-D119 PolarHBondContact NE2-OD1 2.9Å; H52-I121 HydrophobicContact CB-CD1 4.08Å; H52-V162 CarbonylContact O-C 3.55Å; H52-V162 VanDerWaalsContact O-CA 3.31Å; H52-V162 WeakPolarHBondContact O-CA 3.27Å; H52-N163 PolarHBondContact N-O 2.8Å; H52-N163 PolarHBondContact O-N 3.26Å; H52-M165 HydrophobicContact CB-CG 3.88Å; H52-M165 HydrophobicContact CB-SD 3.75Å |
| 53 | G | 92.4 | Very high | 73.1 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 134.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | D119 V120 Q161 | G53-D119 CarbonylContact O-C 3.53Å; G53-D119 WeakPolarHBondContact O-CA 3.47Å; G53-V120 PolarHBondContact N-O 2.58Å; G53-V120 PolarHBondContact O-N 2.79Å; G53-Q161 CarbonylContact C-O 3.59Å; G53-Q161 VanDerWaalsContact CA-O 3.25Å; G53-Q161 WeakPolarHBondContact CA-O 3.25Å |
| 54 | S | 92.7 | Very high | 72.6 | Confident | 12 Ų | 12 | 62.8 Ų | 62.8 | 8% | 0.084 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 124.7 | 172.5 | 161.2 | 0 | 0 | 0 | 0 | 109 | K117 A118 V160 Q161 | S54-K117 WeakPolarHBondContact OG-CE 3.25Å; S54-A118 CarbonylContact C-O 3.57Å; S54-A118 WeakPolarHBondContact CA-O 3.37Å; S54-V160 WeakPolarHBondContact O-CA 3.2Å; S54-Q161 PolarHBondContact N-O 2.97Å; S54-Q161 PolarHBondContact O-N 3.33Å; S54-Q161 VanDerWaalsContact O-N 3.11Å |
| 55 | F | 89.9 | Confident | 72.2 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 126.4 | -175.3 | -54.3 | -96.6 | 0 | 0 | 0 | 110.1 | V88 K117 A118 V120 L143 M147 I155 V160 | F55-V88 HydrophobicContact CZ-CG2 4.42Å; F55-K117 CarbonylContact O-C 3.51Å; F55-K117 WeakPolarHBondContact O-CA 3.39Å; F55-A118 HydrophobicContact CB-CB 4.46Å; F55-A118 PolarHBondContact N-O 3.24Å; F55-A118 PolarHBondContact O-N 3.15Å; F55-V120 HydrophobicContact CD2-CB 4.31Å; F55-V120 HydrophobicContact CD2-CG2 3.69Å; F55-V120 HydrophobicContact CE2-CB 3.8Å; F55-V120 HydrophobicContact CE2-CG2 3.64Å; F55-L143 HydrophobicContact CE1-CD1 4.44Å; F55-L143 HydrophobicContact CE1-CD2 4.33Å; F55-L143 HydrophobicContact CZ-CD1 4.22Å; F55-M147 HydrophobicContact CD1-CE 3.57Å; F55-M147 HydrophobicContact CE1-CE 3.42Å; F55-M147 VanDerWaalsContact CE1-CE 3.42Å; F55-M147 HydrophobicContact CZ-CE 4.4Å; F55-I155 HydrophobicContact CB-CG2 4.35Å; F55-I155 HydrophobicContact CD1-CG2 4.4Å; F55-V160 HydrophobicContact CD1-CB 4.47Å; F55-V160 HydrophobicContact CD1-CG1 4.09Å; F55-V160 HydrophobicContact CD1-CG2 3.67Å; F55-V160 HydrophobicContact CE1-CG1 3.82Å; F55-V160 HydrophobicContact CE1-CG2 4.17Å |
| 56 | K | 89.3 | Confident | 71.7 | Confident | 44 Ų | 44 | 59.2 Ų | 59.2 | 19% | 0.191 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 112.5 | 168.6 | -167.3 | 174.6 | -179.7 | 178.8 | 0 | 109.2 | D114 N156 S159 | K56-D114 IonicContact NZ-OD2 3.96Å; K56-D114 PolarHBondContact NZ-OD2 3.03Å; K56-N156 HydrophobicContact CB-CB 4.45Å; K56-N156 PolarHBondContact O-N 2.7Å; K56-S159 WeakPolarHBondContact CB-OG 3.44Å; K56-S159 PolarHBondContact N-OG 2.82Å; K56-S159 VanDerWaalsContact N-OG 3.11Å |
| 57 | I | 86.7 | Confident | 70.9 | Confident | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 126.5 | 172.3 | -60.9 | 155.5 | 0 | 0 | 0 | 107.3 | T80 L84 G115 V116 A118 L153 I155 | I57-T80 HydrophobicContact CD1-CG2 3.59Å; I57-L84 HydrophobicContact CD1-CD2 4.3Å; I57-G115 WeakPolarHBondContact O-CA 3.29Å; I57-V116 PolarHBondContact N-O 3.19Å; I57-V116 PolarHBondContact O-N 3.36Å; I57-A118 HydrophobicContact CD1-CB 4.05Å; I57-L153 HydrophobicContact CG2-CD2 3.93Å; I57-I155 HydrophobicContact CG1-CG1 4.05Å |
| 58 | L | 82.2 | Confident | 69.6 | Low | 74 Ų | 74 | 59 Ų | 59 | 39% | 0.387 | 32% | 0.318 | S | S | . | . | trans | -87.2 | 105.7 | 179.6 | -60.5 | 172.6 | 0 | 0 | 0 | 108.9 | P154 N156 | L58-P154 HydrophobicContact CB-CB 4.41Å; L58-P154 WeakPolarHBondContact CB-O 3.12Å; L58-P154 PolarHBondContact N-O 3.17Å; L58-P154 WeakPolarHBondContact O-CG 3.47Å; L58-N156 HydrophobicContact CD1-CB 4.16Å; L58-N156 HydrophobicContact CD2-CB 4.21Å; L58-N156 HydrophobicContact CG-CB 4.14Å | ||
| 59 | D | 68.1 | Low | 67.8 | Low | 36 Ų | 36 | 61.3 Ų | 61.3 | 19% | 0.193 | 34% | 0.341 | C | S | . | . | trans | -139.3 | 108.2 | 175.9 | -168.5 | -14.2 | 0 | 0 | 0 | 111.3 | Q61 I62 | D59-Q61 VanDerWaalsContact C-N 3.28Å; D59-Q61 PolarHBondContact O-N 2.94Å; D59-Q61 WeakPolarHBondContact OD1-CB 3.49Å; D59-Q61 PolarHBondContact OD1-N 2.58Å; D59-I62 HydrophobicContact CB-CD1 3.85Å; D59-I62 HydrophobicContact CB-CG1 4.12Å; D59-I62 WeakPolarHBondContact OD2-CD1 3.49Å; D59-I62 WeakPolarHBondContact OD2-CG1 3.4Å | ||
| 60 | P | 50.5 | Low | 65.7 | Low | 107 Ų | 107 | 63.9 Ų | 63.9 | 70% | 0.695 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -11.4 | 178.8 | 28 | -31.6 | 0 | 0 | 0 | 114.2 | ||
| 61 | Q | 52.5 | Low | 63.4 | Low | 138 Ų | 138 | 68.1 Ų | 68.1 | 65% | 0.645 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -16.2 | -178.6 | -65.1 | -67 | -32.7 | 0 | 0 | 113.7 | D59 N63 | D59-Q61 VanDerWaalsContact C-N 3.28Å; D59-Q61 PolarHBondContact O-N 2.94Å; D59-Q61 WeakPolarHBondContact OD1-CB 3.49Å; D59-Q61 PolarHBondContact OD1-N 2.58Å; Q61-N63 VanDerWaalsContact C-N 3.3Å; Q61-N63 PolarHBondContact O-N 2.66Å |
| 62 | I | 52.4 | Low | 60.9 | Low | 13 Ų | 13 | 77.4 Ų | 77.4 | 7% | 0.067 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -76.6 | -18.5 | -179.7 | -65.8 | 178.1 | 0 | 0 | 0 | 112.3 | D59 F66 V116 | D59-I62 HydrophobicContact CB-CD1 3.85Å; D59-I62 HydrophobicContact CB-CG1 4.12Å; D59-I62 WeakPolarHBondContact OD2-CD1 3.49Å; D59-I62 WeakPolarHBondContact OD2-CG1 3.4Å; I62-F66 HydrophobicContact CG2-CE2 4.16Å; I62-V116 HydrophobicContact CB-CG2 4.48Å; I62-V116 HydrophobicContact CD1-CG2 3.48Å; I62-V116 VanDerWaalsContact CD1-CG2 3.48Å; I62-V116 HydrophobicContact CG2-CG2 3.88Å |
| 63 | N | 42.8 | Very low | 58.9 | Low | 96 Ų | 96 | 76.7 Ų | 76.7 | 51% | 0.513 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -78.4 | -27.5 | -171.2 | -135.7 | 3.1 | 0 | 0 | 0 | 114.4 | Q61 N65 E113 | Q61-N63 VanDerWaalsContact C-N 3.3Å; Q61-N63 PolarHBondContact O-N 2.66Å; N63-N65 PolarHBondContact O-N 2.8Å; N63-E113 PolarHBondContact ND2-O 3.22Å |
| 64 | N | 44.9 | Very low | 56.6 | Low | 139 Ų | 139 | 80.3 Ų | 80.3 | 74% | 0.743 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -83 | -1.7 | -170.1 | -86.4 | -10.7 | 0 | 0 | 0 | 115.9 | ||
| 65 | N | 43.2 | Very low | 54.4 | Low | 82 Ų | 82 | 86.2 Ų | 86.2 | 44% | 0.439 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -129.7 | 12.5 | -172.3 | -76.3 | -37.9 | 0 | 0 | 0 | 115.1 | N63 G67 Q68 | N63-N65 PolarHBondContact O-N 2.8Å; N65-G67 PolarHBondContact O-N 2.89Å; N65-Q68 PolarHBondContact O-N 2.85Å |
| 66 | F | 42.6 | Very low | 53.1 | Low | 128 Ų | 128 | 89.4 Ų | 89.4 | 56% | 0.561 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | 80.7 | 175.8 | -103.9 | -80 | 0 | 0 | 0 | 111.5 | I62 P111 | I62-F66 HydrophobicContact CG2-CE2 4.16Å; F66-P111 HydrophobicContact CD2-CB 4.31Å; F66-P111 HydrophobicContact CD2-CG 4.44Å; F66-P111 HydrophobicContact CE1-CG 3.8Å; F66-P111 HydrophobicContact CE2-CB 3.67Å; F66-P111 HydrophobicContact CE2-CG 3.46Å; F66-P111 VanDerWaalsContact CE2-CG 3.46Å; F66-P111 HydrophobicContact CZ-CB 3.84Å; F66-P111 HydrophobicContact CZ-CG 3.1Å |
| 67 | G | 43.4 | Very low | 51.9 | Low | 78 Ų | 78 | 88.7 Ų | 88.7 | 80% | 0.804 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 173.9 | -15 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | N65 | N65-G67 PolarHBondContact O-N 2.89Š|
| 68 | Q | 42 | Very low | 50.6 | Low | 130 Ų | 130 | 92.3 Ų | 92.3 | 61% | 0.607 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -129.6 | 126 | 177.1 | -78.5 | -179.9 | -6.8 | 0 | 0 | 111.8 | N65 N70 | N65-Q68 PolarHBondContact O-N 2.85Å; Q68-N70 PolarHBondContact O-N 3.47Å |
| 69 | S | 44.6 | Very low | 50 | Low | 117 Ų | 117 | 93.9 Ų | 93.9 | 82% | 0.818 | 50% | 0.495 | S | S | * | . | trans | -70 | 71.6 | 177.4 | 176.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 70 | N | 43.4 | Very low | 50.3 | Low | 73 Ų | 73 | 92.7 Ų | 92.7 | 39% | 0.39 | 49% | 0.488 | S | S | . | . | trans | -99.5 | 138.8 | 179.8 | -75.5 | -14.9 | 0 | 0 | 0 | 112.4 | Q68 Y72 Q73 | Q68-N70 PolarHBondContact O-N 3.47Å; N70-Y72 PolarHBondContact O-N 3.29Å; N70-Q73 PolarHBondContact O-N 2.8Å | ||
| 71 | T | 41.3 | Very low | 51.5 | Low | 112 Ų | 112 | 88.5 Ų | 88.5 | 69% | 0.687 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -56.1 | -21.6 | 179.7 | -44.4 | 0 | 0 | 0 | 0 | 114.1 | K75 | T71-K75 PolarHBondContact O-N 2.82Å |
| 72 | Y | 40.6 | Very low | 52.6 | Low | 195 Ų | 195 | 86.7 Ų | 86.7 | 77% | 0.765 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -73.5 | -47.5 | -179.3 | -70.8 | -84.8 | 0 | 0 | 0 | 113.5 | N70 L74 K75 D76 | N70-Y72 PolarHBondContact O-N 3.29Å; Y72-L74 PolarHBondContact O-N 3.36Å; Y72-K75 WeakPolarHBondContact O-CB 3.33Å; Y72-K75 PolarHBondContact O-N 3.3Å; Y72-K75 VanDerWaalsContact O-N 3.09Å; Y72-D76 PolarHBondContact O-N 2.95Å |
| 73 | Q | 50.4 | Low | 54 | Low | 35 Ų | 35 | 88.2 Ų | 88.2 | 16% | 0.164 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -61.5 | -32.9 | 178.3 | -171.6 | -178.6 | 19.5 | 0 | 0 | 112.4 | N70 K75 L77 | N70-Q73 PolarHBondContact O-N 2.8Å; Q73-K75 VanDerWaalsContact C-N 3.35Å; Q73-L77 WeakPolarHBondContact O-CG 3.26Å; Q73-L77 PolarHBondContact O-N 2.84Å |
| 74 | L | 45.5 | Very low | 56 | Low | 75 Ų | 75 | 83.7 Ų | 83.7 | 39% | 0.393 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -73.6 | -29.1 | -178.2 | -113.1 | 178.3 | 0 | 0 | 0 | 110.7 | Y72 L380 | Y72-L74 PolarHBondContact O-N 3.36Å; L74-L380 HydrophobicContact CB-CD1 3.25Å; L74-L380 HydrophobicContact CD1-CD1 4.22Å; L74-L380 HydrophobicContact CD2-CB 4.37Å; L74-L380 HydrophobicContact CD2-CD1 3.7Å; L74-L380 HydrophobicContact CD2-CG 4.33Å; L74-L380 HydrophobicContact CG-CD1 3.85Å; L74-L380 WeakPolarHBondContact O-CB 3.33Å; L74-L380 WeakPolarHBondContact O-CD1 3.06Å |
| 75 | K | 46.1 | Very low | 57.8 | Low | 137 Ų | 137 | 78.8 Ų | 78.8 | 60% | 0.596 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -75.9 | -39.1 | 173.7 | -170.1 | -177.1 | 173.7 | -168.3 | 0 | 112.4 | T71 Y72 Q73 R78 E79 | T71-K75 PolarHBondContact O-N 2.82Å; Y72-K75 WeakPolarHBondContact O-CB 3.33Å; Y72-K75 PolarHBondContact O-N 3.3Å; Y72-K75 VanDerWaalsContact O-N 3.09Å; Q73-K75 VanDerWaalsContact C-N 3.35Å; K75-R78 WeakPolarHBondContact O-CB 3.49Å; K75-R78 PolarHBondContact O-N 3.08Å; K75-E79 PolarHBondContact O-N 3.37Å; K75-E79 VanDerWaalsContact O-N 3.15Å |
| 76 | D | 62.9 | Low | 59.7 | Low | 66 Ų | 66 | 78.3 Ų | 78.3 | 35% | 0.353 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.7 | -41.4 | 175.3 | -90.5 | 8.8 | 0 | 0 | 0 | 112.4 | Y72 R78 E79 T80 | Y72-D76 PolarHBondContact O-N 2.95Å; D76-R78 PolarHBondContact O-N 3.38Å; D76-E79 PolarHBondContact O-N 3.27Å; D76-T80 VanDerWaalsContact O-CB 3.24Å; D76-T80 WeakPolarHBondContact O-CB 3.44Å; D76-T80 PolarHBondContact O-N 3.15Å; D76-T80 PolarHBondContact O-OG1 3.24Å |
| 77 | L | 63.8 | Low | 61.8 | Low | 30 Ų | 30 | 72.4 Ų | 72.4 | 16% | 0.157 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.8 | -31.4 | 176.5 | -74.5 | 167.2 | 0 | 0 | 0 | 112.6 | Q73 T81 L109 | Q73-L77 WeakPolarHBondContact O-CG 3.26Å; Q73-L77 PolarHBondContact O-N 2.84Å; L77-T81 WeakPolarHBondContact O-CB 3.42Å; L77-T81 PolarHBondContact O-N 3.45Å; L77-T81 PolarHBondContact O-OG1 3.05Å; L77-L109 HydrophobicContact CD2-CD1 3.81Å |
| 78 | R | 59.6 | Low | 63.9 | Low | 77 Ų | 77 | 68.7 Ų | 68.7 | 29% | 0.291 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -68.3 | -52.7 | 175.1 | 174.7 | 172.2 | 178.5 | -150.1 | -14.1 | 111.3 | K75 D76 T80 T81 E82 L380 | K75-R78 WeakPolarHBondContact O-CB 3.49Å; K75-R78 PolarHBondContact O-N 3.08Å; D76-R78 PolarHBondContact O-N 3.38Å; R78-T80 VanDerWaalsContact C-N 3.26Å; R78-T80 PolarHBondContact O-N 3.05Å; R78-T81 PolarHBondContact O-N 3.28Å; R78-T81 VanDerWaalsContact O-N 3.11Å; R78-E82 IonicContact CZ-OE1 3.82Å; R78-E82 IonicContact NE-OE1 3.33Å; R78-E82 PolarHBondContact NE-OE1 2.72Å; R78-E82 IonicContact NH2-OE1 2.65Å; R78-E82 PolarHBondContact NH2-OE1 3.42Å; R78-E82 PolarHBondContact O-N 3.31Å; R78-L380 HydrophobicContact CB-CB 4.15Å; R78-L380 WeakPolarHBondContact CB-O 3.46Å; R78-L380 WeakPolarHBondContact CD-O 2.99Å; R78-L380 WeakPolarHBondContact CG-O 3.35Å |
| 79 | E | 69.1 | Low | 66.1 | Low | 108 Ų | 108 | 64.7 Ų | 64.7 | 51% | 0.505 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60 | -42.4 | 179.1 | -175.3 | 161.4 | -168.7 | 0 | 0 | 110.2 | K75 D76 T81 E82 I83 | K75-E79 PolarHBondContact O-N 3.37Å; K75-E79 VanDerWaalsContact O-N 3.15Å; D76-E79 PolarHBondContact O-N 3.27Å; E79-T81 PolarHBondContact O-N 3.09Å; E79-E82 PolarHBondContact O-N 2.84Å; E79-I83 HydrophobicContact CG-CD1 3.58Å; E79-I83 HydrophobicContact CG-CG1 4.35Å; E79-I83 WeakPolarHBondContact O-CB 3.31Å; E79-I83 WeakPolarHBondContact O-CD1 3.32Å; E79-I83 WeakPolarHBondContact O-CG1 3.36Å; E79-I83 PolarHBondContact O-N 3.39Å |
| 80 | T | 74.6 | Confident | 68.1 | Low | 10 Ų | 10 | 64.1 Ų | 64.1 | 6% | 0.061 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.9 | -42 | 173.9 | -58.8 | 0 | 0 | 0 | 0 | 112.6 | I57 D76 R78 L84 L153 | I57-T80 HydrophobicContact CD1-CG2 3.59Å; D76-T80 VanDerWaalsContact O-CB 3.24Å; D76-T80 WeakPolarHBondContact O-CB 3.44Å; D76-T80 PolarHBondContact O-N 3.15Å; D76-T80 PolarHBondContact O-OG1 3.24Å; R78-T80 VanDerWaalsContact C-N 3.26Å; R78-T80 PolarHBondContact O-N 3.05Å; T80-L84 WeakPolarHBondContact O-CB 3.49Å; T80-L84 PolarHBondContact O-N 3.27Å; T80-L153 HydrophobicContact CG2-CD1 4.37Å; T80-L153 HydrophobicContact CG2-CD2 3.93Å; T80-L153 WeakPolarHBondContact O-CD1 3.2Å |
| 81 | T | 75.2 | Confident | 70.3 | Confident | 20 Ų | 20 | 61.1 Ų | 61.1 | 12% | 0.123 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.9 | -48.9 | 177.9 | -58.8 | 0 | 0 | 0 | 0 | 111.3 | L77 R78 E79 L84 V85 V106 L109 | L77-T81 WeakPolarHBondContact O-CB 3.42Å; L77-T81 PolarHBondContact O-N 3.45Å; L77-T81 PolarHBondContact O-OG1 3.05Å; R78-T81 PolarHBondContact O-N 3.28Å; R78-T81 VanDerWaalsContact O-N 3.11Å; E79-T81 PolarHBondContact O-N 3.09Å; T81-L84 PolarHBondContact O-N 2.73Å; T81-V85 HydrophobicContact CG2-CG2 4.49Å; T81-V85 WeakPolarHBondContact O-CG2 3.44Å; T81-V85 PolarHBondContact O-N 3.33Å; T81-V106 HydrophobicContact CG2-CB 4.04Å; T81-V106 HydrophobicContact CG2-CG2 3.99Å; T81-L109 WeakPolarHBondContact OG1-CD1 3.36Å |
| 82 | E | 76.7 | Confident | 72.7 | Confident | 99 Ų | 99 | 55.8 Ų | 55.8 | 46% | 0.463 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.2 | -45 | -179 | -71.4 | 177 | -172.1 | 0 | 0 | 110.7 | R78 E79 S86 | R78-E82 IonicContact CZ-OE1 3.82Å; R78-E82 IonicContact NE-OE1 3.33Å; R78-E82 PolarHBondContact NE-OE1 2.72Å; R78-E82 IonicContact NH2-OE1 2.65Å; R78-E82 PolarHBondContact NH2-OE1 3.42Å; R78-E82 PolarHBondContact O-N 3.31Å; E79-E82 PolarHBondContact O-N 2.84Å; E82-S86 VanDerWaalsContact O-CB 3.31Å; E82-S86 WeakPolarHBondContact O-CB 3.26Å; E82-S86 PolarHBondContact O-N 3.13Å |
| 83 | I | 80.9 | Confident | 74.9 | Confident | 46 Ų | 46 | 49.7 Ų | 49.7 | 24% | 0.236 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65 | -42.3 | 176.4 | -62 | 165.1 | 0 | 0 | 0 | 110.6 | E79 S86 Q87 A152 L153 | E79-I83 HydrophobicContact CG-CD1 3.58Å; E79-I83 HydrophobicContact CG-CG1 4.35Å; E79-I83 WeakPolarHBondContact O-CB 3.31Å; E79-I83 WeakPolarHBondContact O-CD1 3.32Å; E79-I83 WeakPolarHBondContact O-CG1 3.36Å; E79-I83 PolarHBondContact O-N 3.39Å; I83-S86 PolarHBondContact O-N 3.11Å; I83-Q87 WeakPolarHBondContact O-CB 3.4Å; I83-Q87 PolarHBondContact O-N 2.94Å; I83-A152 HydrophobicContact CG2-CB 3.5Å; I83-L153 HydrophobicContact CB-CD1 3.67Å; I83-L153 HydrophobicContact CB-CG 4.04Å; I83-L153 HydrophobicContact CG2-CB 4.37Å; I83-L153 HydrophobicContact CG2-CD1 3.54Å; I83-L153 HydrophobicContact CG2-CG 3.58Å |
| 84 | L | 85.2 | Confident | 76.5 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.8 | -46.1 | 179.9 | -179.4 | 63.7 | 0 | 0 | 0 | 111.7 | I57 T80 T81 Q87 V88 V106 A118 V120 M147 L153 I155 | I57-L84 HydrophobicContact CD1-CD2 4.3Å; T80-L84 WeakPolarHBondContact O-CB 3.49Å; T80-L84 PolarHBondContact O-N 3.27Å; T81-L84 PolarHBondContact O-N 2.73Å; L84-Q87 PolarHBondContact O-N 3.42Å; L84-V88 HydrophobicContact CD1-CG2 4.22Å; L84-V88 WeakPolarHBondContact O-CG2 3.33Å; L84-V88 PolarHBondContact O-N 3.41Å; L84-V106 HydrophobicContact CD2-CG2 3.85Å; L84-V106 HydrophobicContact CG-CG2 4.36Å; L84-A118 HydrophobicContact CD2-CB 3.38Å; L84-V120 HydrophobicContact CD2-CG2 3.86Å; L84-M147 HydrophobicContact CD1-CE 4.33Å; L84-L153 HydrophobicContact CB-CD1 3.75Å; L84-L153 VanDerWaalsContact N-CD1 3.32Å; L84-I155 HydrophobicContact CD1-CD1 3.6Å |
| 85 | V | 82.9 | Confident | 78.6 | Confident | 37 Ų | 37 | 51.3 Ų | 51.3 | 22% | 0.224 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.8 | -49.8 | 177.1 | 172.2 | 0 | 0 | 0 | 0 | 110.2 | T81 Q87 V88 D89 N104 V106 | T81-V85 HydrophobicContact CG2-CG2 4.49Å; T81-V85 WeakPolarHBondContact O-CG2 3.44Å; T81-V85 PolarHBondContact O-N 3.33Å; V85-Q87 VanDerWaalsContact C-N 3.32Å; V85-Q87 PolarHBondContact O-N 2.8Å; V85-V88 PolarHBondContact O-N 3.47Å; V85-D89 WeakPolarHBondContact O-CB 3.19Å; V85-D89 PolarHBondContact O-N 3.34Å; V85-N104 WeakPolarHBondContact CA-OD1 3.43Å; V85-N104 PolarHBondContact O-ND2 2.95Å; V85-V106 HydrophobicContact CG2-CG2 3.73Å |
| 86 | S | 82.3 | Confident | 80.5 | Confident | 72 Ų | 72 | 49.6 Ų | 49.6 | 50% | 0.503 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.4 | -41.3 | 179 | -173.8 | 0 | 0 | 0 | 0 | 112 | E82 I83 D89 E90 | E82-S86 VanDerWaalsContact O-CB 3.31Å; E82-S86 WeakPolarHBondContact O-CB 3.26Å; E82-S86 PolarHBondContact O-N 3.13Å; I83-S86 PolarHBondContact O-N 3.11Å; S86-D89 WeakPolarHBondContact O-CB 3.42Å; S86-D89 PolarHBondContact O-N 2.98Å; S86-E90 WeakPolarHBondContact O-CB 3.29Å; S86-E90 PolarHBondContact O-N 3.34Å |
| 87 | Q | 87.2 | Confident | 81.7 | Confident | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.019 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.7 | -42.1 | -179.5 | -173.3 | 170.1 | -68.4 | 0 | 0 | 111.2 | I83 L84 V85 E90 I91 M147 L150 L153 | I83-Q87 WeakPolarHBondContact O-CB 3.4Å; I83-Q87 PolarHBondContact O-N 2.94Å; L84-Q87 PolarHBondContact O-N 3.42Å; V85-Q87 VanDerWaalsContact C-N 3.32Å; V85-Q87 PolarHBondContact O-N 2.8Å; Q87-E90 PolarHBondContact O-N 3.45Å; Q87-I91 WeakPolarHBondContact O-CD1 3.36Å; Q87-I91 WeakPolarHBondContact O-CG1 3.39Å; Q87-I91 PolarHBondContact O-N 2.82Å; Q87-I91 VanDerWaalsContact O-N 3.13Å; Q87-M147 HydrophobicContact CG-SD 4.38Å; Q87-M147 PolarHBondContact NE2-SD 2.88Å; Q87-L150 HydrophobicContact CG-CB 4.15Å; Q87-L150 HydrophobicContact CG-CD1 3.37Å; Q87-L150 HydrophobicContact CG-CD2 4.25Å; Q87-L150 HydrophobicContact CG-CG 4.11Å; Q87-L153 VanDerWaalsContact OE1-N 3.17Å |
| 88 | V | 88.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.7 | -39.8 | 174.4 | 174.3 | 0 | 0 | 0 | 0 | 111 | F55 L84 V85 I91 F92 N104 M122 M147 | F55-V88 HydrophobicContact CZ-CG2 4.42Å; L84-V88 HydrophobicContact CD1-CG2 4.22Å; L84-V88 WeakPolarHBondContact O-CG2 3.33Å; L84-V88 PolarHBondContact O-N 3.41Å; V85-V88 PolarHBondContact O-N 3.47Å; V88-I91 PolarHBondContact O-N 3.23Å; V88-F92 HydrophobicContact CG1-CD2 3.97Å; V88-F92 HydrophobicContact CG1-CE2 3.87Å; V88-F92 VanDerWaalsContact O-CD2 3.26Å; V88-F92 WeakPolarHBondContact O-CD2 3.49Å; V88-F92 PolarHBondContact O-N 2.8Å; V88-N104 HydrophobicContact CB-CB 4.47Å; V88-N104 HydrophobicContact CG1-CB 3.76Å; V88-M122 HydrophobicContact CG1-CG 4.29Å; V88-M122 HydrophobicContact CG1-SD 4.28Å; V88-M147 HydrophobicContact CG2-CE 3.96Å |
| 89 | D | 87.5 | Confident | 84.1 | Confident | 45 Ų | 45 | 58.4 Ų | 58.4 | 24% | 0.241 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.1 | -51 | 174.1 | -80.9 | -29.5 | 0 | 0 | 0 | 111.4 | V85 S86 I91 F92 I93 Y101 N104 | V85-D89 WeakPolarHBondContact O-CB 3.19Å; V85-D89 PolarHBondContact O-N 3.34Å; S86-D89 WeakPolarHBondContact O-CB 3.42Å; S86-D89 PolarHBondContact O-N 2.98Å; D89-I91 VanDerWaalsContact C-N 3.31Å; D89-I91 PolarHBondContact O-N 3.46Å; D89-F92 PolarHBondContact O-N 3.38Å; D89-F92 VanDerWaalsContact O-N 3.15Å; D89-I93 HydrophobicContact CB-CD1 4Å; D89-I93 VanDerWaalsContact O-CB 3.27Å; D89-I93 WeakPolarHBondContact O-CB 3.21Å; D89-I93 VanDerWaalsContact O-CG1 3.24Å; D89-I93 WeakPolarHBondContact O-CG1 3.36Å; D89-I93 PolarHBondContact O-N 3.41Å; D89-Y101 VanDerWaalsContact OD1-CE1 3.26Å; D89-Y101 WeakPolarHBondContact OD1-CE1 3.24Å; D89-Y101 VanDerWaalsContact OD1-CZ 3.27Å; D89-Y101 PolarHBondContact OD1-OH 2.74Å; D89-N104 VanDerWaalsContact CG-ND2 3.31Å; D89-N104 PolarHBondContact OD1-ND2 2.89Å |
| 90 | E | 86.8 | Confident | 85 | Confident | 106 Ų | 106 | 55.5 Ų | 55.5 | 50% | 0.495 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -56.6 | -44 | 179.5 | -170.1 | -175.9 | 168 | 0 | 0 | 111.8 | S86 Q87 F92 D94 | S86-E90 WeakPolarHBondContact O-CB 3.29Å; S86-E90 PolarHBondContact O-N 3.34Å; Q87-E90 PolarHBondContact O-N 3.45Å; E90-F92 VanDerWaalsContact C-N 3.28Å; E90-F92 PolarHBondContact O-N 3.15Å; E90-D94 PolarHBondContact O-N 3.21Å; E90-D94 VanDerWaalsContact O-N 3.16Å |
| 91 | I | 89.9 | Confident | 85.7 | Confident | 9 Ų | 9 | 55.8 Ų | 55.8 | 5% | 0.046 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -54.2 | -45.1 | 178 | -71.4 | 167.1 | 0 | 0 | 0 | 111.7 | Q87 V88 D89 S95 F142 L143 K146 M147 L150 | Q87-I91 WeakPolarHBondContact O-CD1 3.36Å; Q87-I91 WeakPolarHBondContact O-CG1 3.39Å; Q87-I91 PolarHBondContact O-N 2.82Å; Q87-I91 VanDerWaalsContact O-N 3.13Å; V88-I91 PolarHBondContact O-N 3.23Å; D89-I91 VanDerWaalsContact C-N 3.31Å; D89-I91 PolarHBondContact O-N 3.46Å; I91-S95 WeakPolarHBondContact O-CB 3.38Å; I91-S95 PolarHBondContact O-OG 2.89Å; I91-F142 HydrophobicContact CG2-CD1 3.89Å; I91-F142 HydrophobicContact CG2-CE1 3.43Å; I91-F142 VanDerWaalsContact CG2-CE1 3.43Å; I91-F142 HydrophobicContact CG2-CZ 4.26Å; I91-F142 VanDerWaalsContact O-CE1 3.29Å; I91-F142 WeakPolarHBondContact O-CE1 3.14Å; I91-F142 WeakPolarHBondContact O-CZ 3.11Å; I91-L143 HydrophobicContact CD1-CD2 3.99Å; I91-L143 HydrophobicContact CG2-CD2 4.17Å; I91-K146 HydrophobicContact CD1-CB 4.33Å; I91-K146 HydrophobicContact CG1-CB 4Å; I91-K146 HydrophobicContact CG2-CB 3.9Å; I91-K146 HydrophobicContact CG2-CG 4.12Å; I91-M147 HydrophobicContact CD1-CE 3.97Å; I91-M147 HydrophobicContact CD1-CG 3.97Å; I91-M147 HydrophobicContact CD1-SD 3.51Å; I91-M147 VanDerWaalsContact CD1-SD 3.51Å; I91-L150 HydrophobicContact CD1-CD1 3.42Å; I91-L150 VanDerWaalsContact CD1-CD1 3.42Å; I91-L150 HydrophobicContact CG1-CD1 3.49Å; I91-L150 VanDerWaalsContact CG1-CD1 3.49Å |
| 92 | F | 91.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -90.2 | -38 | -174.1 | -69.9 | -65.4 | 0 | 0 | 0 | 113.1 | V88 D89 E90 D94 S95 W97 K98 Y101 M122 F124 I139 F142 L143 | V88-F92 HydrophobicContact CG1-CD2 3.97Å; V88-F92 HydrophobicContact CG1-CE2 3.87Å; V88-F92 VanDerWaalsContact O-CD2 3.26Å; V88-F92 WeakPolarHBondContact O-CD2 3.49Å; V88-F92 PolarHBondContact O-N 2.8Å; D89-F92 PolarHBondContact O-N 3.38Å; D89-F92 VanDerWaalsContact O-N 3.15Å; E90-F92 VanDerWaalsContact C-N 3.28Å; E90-F92 PolarHBondContact O-N 3.15Å; F92-D94 VanDerWaalsContact C-N 3.34Å; F92-D94 PolarHBondContact O-N 2.64Å; F92-S95 PolarHBondContact O-N 2.79Å; F92-S95 PolarHBondContact O-OG 2.74Å; F92-W97 HydrophobicContact CB-CB 4.5Å; F92-W97 HydrophobicContact CD1-CB 3.77Å; F92-W97 AromaticContact CD1-CG 3.91Å; F92-W97 HydrophobicContact CD1-CG 3.91Å; F92-W97 HydrophobicContact CE1-CG 4.34Å; F92-K98 PolarHBondContact O-N 3.45Å; F92-Y101 HydrophobicContact CB-CD1 3.77Å; F92-Y101 HydrophobicContact CB-CD2 3.76Å; F92-Y101 HydrophobicContact CB-CE1 4.2Å; F92-Y101 HydrophobicContact CB-CE2 4.19Å; F92-Y101 HydrophobicContact CB-CG 3.51Å; F92-Y101 AromaticContact CD2-CD2 3.87Å; F92-Y101 HydrophobicContact CD2-CD2 3.87Å; F92-Y101 AromaticContact CD2-CE2 3.74Å; F92-Y101 HydrophobicContact CD2-CE2 3.74Å; F92-Y101 HydrophobicContact CD2-CG 4.5Å; F92-Y101 HydrophobicContact CE2-CE2 4.48Å; F92-Y101 AromaticContact CG-CD2 3.87Å; F92-Y101 HydrophobicContact CG-CD2 3.87Å; F92-Y101 HydrophobicContact CG-CE2 4.19Å; F92-Y101 HydrophobicContact CG-CG 4.13Å; F92-M122 HydrophobicContact CE2-SD 3.78Å; F92-M122 HydrophobicContact CZ-SD 4.15Å; F92-F124 HydrophobicContact CD1-CE1 4.01Å; F92-F124 HydrophobicContact CD1-CZ 4.01Å; F92-F124 HydrophobicContact CD2-CZ 4.34Å; F92-F124 HydrophobicContact CE1-CE1 4.06Å; F92-F124 AromaticContact CE1-CZ 3.7Å; F92-F124 HydrophobicContact CE1-CZ 3.7Å; F92-F124 HydrophobicContact CE2-CZ 4.05Å; F92-F124 HydrophobicContact CG-CE1 4.42Å; F92-F124 HydrophobicContact CG-CZ 4.33Å; F92-F124 AromaticContact CZ-CZ 3.73Å; F92-F124 HydrophobicContact CZ-CZ 3.73Å; F92-I139 HydrophobicContact CE1-CG2 4.34Å; F92-I139 HydrophobicContact CZ-CG2 3.95Å; F92-F142 HydrophobicContact CD1-CD1 4.04Å; F92-F142 AromaticContact CD1-CE1 3.97Å; F92-F142 HydrophobicContact CD1-CE1 3.97Å; F92-F142 AromaticContact CE1-CD1 3.71Å; F92-F142 HydrophobicContact CE1-CD1 3.71Å; F92-F142 HydrophobicContact CE1-CE1 4.12Å; F92-L143 HydrophobicContact CE2-CD1 4.4Å; F92-L143 HydrophobicContact CE2-CD2 3.74Å; F92-L143 HydrophobicContact CE2-CG 4.19Å; F92-L143 HydrophobicContact CZ-CD1 3.94Å; F92-L143 HydrophobicContact CZ-CD2 3.74Å; F92-L143 HydrophobicContact CZ-CG 3.67Å |
| 93 | I | 87.4 | Confident | 86.6 | Confident | 67 Ų | 67 | 56.7 Ų | 56.7 | 34% | 0.344 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66 | -36.2 | -178.5 | -68.8 | 175.7 | 0 | 0 | 0 | 111.2 | D89 S95 K98 Y101 | D89-I93 HydrophobicContact CB-CD1 4Å; D89-I93 VanDerWaalsContact O-CB 3.27Å; D89-I93 WeakPolarHBondContact O-CB 3.21Å; D89-I93 VanDerWaalsContact O-CG1 3.24Å; D89-I93 WeakPolarHBondContact O-CG1 3.36Å; D89-I93 PolarHBondContact O-N 3.41Å; I93-S95 PolarHBondContact O-N 2.82Å; I93-K98 WeakPolarHBondContact O-CB 3.09Å; I93-K98 VanDerWaalsContact O-CD 3.23Å; I93-K98 WeakPolarHBondContact O-CD 3.49Å; I93-K98 WeakPolarHBondContact O-CG 3.05Å; I93-Y101 HydrophobicContact CD1-CE1 4.49Å; I93-Y101 HydrophobicContact CG1-CD1 4.04Å; I93-Y101 HydrophobicContact CG1-CE1 4.13Å |
| 94 | D | 84.4 | Confident | 86.8 | Confident | 120 Ų | 120 | 55 Ų | 55 | 64% | 0.642 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 34.1 | 179.7 | -68.6 | -16.1 | 0 | 0 | 0 | 112.5 | E90 F92 | E90-D94 PolarHBondContact O-N 3.21Å; E90-D94 VanDerWaalsContact O-N 3.16Å; F92-D94 VanDerWaalsContact C-N 3.34Å; F92-D94 PolarHBondContact O-N 2.64Å |
| 95 | S | 87.6 | Confident | 86.6 | Confident | 24 Ų | 24 | 56.4 Ų | 56.4 | 17% | 0.168 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -140.5 | 175.6 | -176.1 | 81.9 | 0 | 0 | 0 | 0 | 113.5 | I91 F92 I93 W97 K98 | I91-S95 WeakPolarHBondContact O-CB 3.38Å; I91-S95 PolarHBondContact O-OG 2.89Å; F92-S95 PolarHBondContact O-N 2.79Å; F92-S95 PolarHBondContact O-OG 2.74Å; I93-S95 PolarHBondContact O-N 2.82Å; S95-W97 PolarHBondContact O-N 2.88Å; S95-W97 VanDerWaalsContact O-N 3.08Å; S95-W97 WeakPolarHBondContact OG-CB 3.35Å; S95-W97 PolarHBondContact OG-N 2.93Å; S95-K98 WeakPolarHBondContact O-CB 3.11Å; S95-K98 PolarHBondContact O-N 2.87Å; S95-K98 VanDerWaalsContact O-N 3.13Å |
| 96 | A | 87.2 | Confident | 86.6 | Confident | 102 Ų | 102 | 55.5 Ų | 55.5 | 84% | 0.843 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -16.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 97 | W | 87.9 | Confident | 86.4 | Confident | 37 Ų | 37 | 54.6 Ų | 54.6 | 14% | 0.14 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -12.6 | 177.9 | -60.7 | 93.5 | 0 | 0 | 0 | 113.9 | F92 S95 K99 N100 Y101 F124 F126 K138 I139 F142 | F92-W97 HydrophobicContact CB-CB 4.5Å; F92-W97 HydrophobicContact CD1-CB 3.77Å; F92-W97 AromaticContact CD1-CG 3.91Å; F92-W97 HydrophobicContact CD1-CG 3.91Å; F92-W97 HydrophobicContact CE1-CG 4.34Å; S95-W97 PolarHBondContact O-N 2.88Å; S95-W97 VanDerWaalsContact O-N 3.08Å; S95-W97 WeakPolarHBondContact OG-CB 3.35Å; S95-W97 PolarHBondContact OG-N 2.93Å; W97-K99 PolarHBondContact O-N 2.91Å; W97-N100 PolarHBondContact O-N 3.43Å; W97-Y101 WeakPolarHBondContact O-CB 3.31Å; W97-Y101 PolarHBondContact O-N 3.01Å; W97-F124 HydrophobicContact CE3-CE1 4.22Å; W97-F126 HydrophobicContact CE3-CE1 4.02Å; W97-F126 HydrophobicContact CE3-CZ 4.01Å; W97-F126 AromaticContact CZ3-CE1 3.7Å; W97-F126 HydrophobicContact CZ3-CE1 3.7Å; W97-F126 AromaticContact CZ3-CZ 3.65Å; W97-F126 HydrophobicContact CZ3-CZ 3.65Å; W97-K138 HydrophobicContact CH2-CB 3.69Å; W97-K138 HydrophobicContact CH2-CD 4.46Å; W97-K138 HydrophobicContact CZ2-CB 3.79Å; W97-I139 HydrophobicContact CE3-CG1 4.34Å; W97-I139 HydrophobicContact CH2-CG1 3.75Å; W97-I139 HydrophobicContact CZ2-CG1 4.31Å; W97-I139 HydrophobicContact CZ3-CD1 4.34Å; W97-I139 HydrophobicContact CZ3-CG1 3.76Å; W97-F142 AromaticContact CD1-CD1 3.61Å; W97-F142 AromaticContact CD1-CE1 3.54Å; W97-F142 AromaticContact CD1-CZ 3.93Å; W97-F142 AromaticContact NE1-CD1 3.55Å; W97-F142 AromaticContact NE1-CD2 3.87Å; W97-F142 AromaticContact NE1-CE1 3.94Å; W97-F142 AromaticContact NE1-CG 3.51Å |
| 98 | K | 87.8 | Confident | 86 | Confident | 126 Ų | 126 | 61.6 Ų | 61.6 | 55% | 0.548 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.9 | -40.6 | -175.5 | -174.4 | -177.2 | -168.8 | 154.5 | 0 | 114.2 | F92 I93 S95 N100 | F92-K98 PolarHBondContact O-N 3.45Å; I93-K98 WeakPolarHBondContact O-CB 3.09Å; I93-K98 VanDerWaalsContact O-CD 3.23Å; I93-K98 WeakPolarHBondContact O-CD 3.49Å; I93-K98 WeakPolarHBondContact O-CG 3.05Å; S95-K98 WeakPolarHBondContact O-CB 3.11Å; S95-K98 PolarHBondContact O-N 2.87Å; S95-K98 VanDerWaalsContact O-N 3.13Å; K98-N100 VanDerWaalsContact C-N 3.28Å; K98-N100 PolarHBondContact O-N 2.88Å |
| 99 | K | 85.3 | Confident | 85.4 | Confident | 194 Ų | 194 | 62.5 Ų | 62.5 | 84% | 0.843 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -24.8 | -177.8 | -68.6 | -173.2 | 177.7 | -178 | 0 | 113.7 | W97 | W97-K99 PolarHBondContact O-N 2.91Š|
| 100 | N | 88.5 | Confident | 85 | Confident | 47 Ų | 47 | 61.9 Ų | 61.9 | 25% | 0.251 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -20 | -174.9 | -59.7 | -7.2 | 0 | 0 | 0 | 111.3 | W97 K98 F124 Q125 F126 | W97-N100 PolarHBondContact O-N 3.43Å; K98-N100 VanDerWaalsContact C-N 3.28Å; K98-N100 PolarHBondContact O-N 2.88Å; N100-F124 CarbonylContact O-C 3.58Å; N100-F124 WeakPolarHBondContact O-CA 3.43Å; N100-F124 WeakPolarHBondContact O-CB 3.35Å; N100-Q125 WeakPolarHBondContact CA-O 3.47Å; N100-Q125 VanDerWaalsContact CB-O 3.25Å; N100-Q125 WeakPolarHBondContact CB-O 3.26Å; N100-Q125 PolarHBondContact O-N 3.27Å; N100-F126 HydrophobicContact CB-CD1 3.94Å; N100-F126 HydrophobicContact CB-CE1 3.7Å; N100-F126 HydrophobicContact CB-CZ 4.33Å; N100-F126 VanDerWaalsContact ND2-CD1 3.32Å; N100-F126 WeakPolarHBondContact ND2-CD1 3.48Å; N100-F126 WeakPolarHBondContact ND2-CE1 3.24Å |
| 101 | Y | 89.6 | Confident | 84.4 | Confident | 16 Ų | 16 | 59.8 Ų | 59.8 | 6% | 0.063 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 130.2 | 178.1 | 177.1 | -107.3 | 0 | 0 | 0 | 110.9 | D89 F92 I93 W97 N104 F124 | D89-Y101 VanDerWaalsContact OD1-CE1 3.26Å; D89-Y101 WeakPolarHBondContact OD1-CE1 3.24Å; D89-Y101 VanDerWaalsContact OD1-CZ 3.27Å; D89-Y101 PolarHBondContact OD1-OH 2.74Å; F92-Y101 HydrophobicContact CB-CD1 3.77Å; F92-Y101 HydrophobicContact CB-CD2 3.76Å; F92-Y101 HydrophobicContact CB-CE1 4.2Å; F92-Y101 HydrophobicContact CB-CE2 4.19Å; F92-Y101 HydrophobicContact CB-CG 3.51Å; F92-Y101 AromaticContact CD2-CD2 3.87Å; F92-Y101 HydrophobicContact CD2-CD2 3.87Å; F92-Y101 AromaticContact CD2-CE2 3.74Å; F92-Y101 HydrophobicContact CD2-CE2 3.74Å; F92-Y101 HydrophobicContact CD2-CG 4.5Å; F92-Y101 HydrophobicContact CE2-CE2 4.48Å; F92-Y101 AromaticContact CG-CD2 3.87Å; F92-Y101 HydrophobicContact CG-CD2 3.87Å; F92-Y101 HydrophobicContact CG-CE2 4.19Å; F92-Y101 HydrophobicContact CG-CG 4.13Å; I93-Y101 HydrophobicContact CD1-CE1 4.49Å; I93-Y101 HydrophobicContact CG1-CD1 4.04Å; I93-Y101 HydrophobicContact CG1-CE1 4.13Å; W97-Y101 WeakPolarHBondContact O-CB 3.31Å; W97-Y101 PolarHBondContact O-N 3.01Å; Y101-N104 HydrophobicContact CE2-CB 4.46Å; Y101-N104 VanDerWaalsContact OH-CB 3.25Å; Y101-N104 WeakPolarHBondContact OH-CB 3.1Å; Y101-N104 PolarHBondContact OH-N 3.3Å; Y101-N104 PolarHBondContact OH-ND2 2.96Å; Y101-F124 HydrophobicContact CD2-CD1 4.2Å; Y101-F124 AromaticContact CD2-CE1 3.69Å; Y101-F124 HydrophobicContact CD2-CE1 3.69Å; Y101-F124 HydrophobicContact CD2-CE2 4.42Å; Y101-F124 AromaticContact CD2-CZ 3.82Å; Y101-F124 HydrophobicContact CD2-CZ 3.82Å; Y101-F124 HydrophobicContact CE2-CZ 4.49Å; Y101-F124 HydrophobicContact CG-CE1 4.32Å |
| 102 | I | 86.2 | Confident | 83.8 | Confident | 72 Ų | 72 | 62.9 Ų | 62.9 | 37% | 0.369 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | -55.6 | -178.2 | -55.5 | -59.3 | 0 | 0 | 0 | 111.1 | M48 V123 Q125 | M48-I102 HydrophobicContact CE-CD1 4.41Å; M48-I102 HydrophobicContact CE-CG1 4.3Å; M48-I102 HydrophobicContact SD-CG1 4.03Å; I102-V123 HydrophobicContact CB-CB 4.24Å; I102-V123 HydrophobicContact CB-CG1 4.17Å; I102-V123 WeakPolarHBondContact CB-O 3.42Å; I102-V123 HydrophobicContact CG1-CG1 4.45Å; I102-V123 PolarHBondContact N-O 3.41Å; I102-Q125 HydrophobicContact CD1-CB 3.83Å; I102-Q125 HydrophobicContact CG1-CB 3.97Å |
| 103 | K | 84.1 | Confident | 82.8 | Confident | 66 Ų | 66 | 70.7 Ų | 70.7 | 29% | 0.287 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.1 | 166.6 | 179.8 | 61.6 | -174.6 | 173.4 | -164.7 | 0 | 111.7 | V123 D289 | K103-V123 HydrophobicContact CG-CB 4.15Å; K103-V123 HydrophobicContact CG-CG2 4.07Å; K103-V123 PolarHBondContact N-O 3.41Å; K103-V123 PolarHBondContact O-N 3.3Å; K103-D289 IonicContact NZ-OD1 3.32Å |
| 104 | N | 85.7 | Confident | 82.3 | Confident | 12 Ų | 12 | 72.4 Ų | 72.4 | 6% | 0.064 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 159.3 | 165.2 | 81.5 | 87.3 | 0 | 0 | 0 | 110.6 | V85 V88 D89 Y101 V120 I121 M122 | V85-N104 WeakPolarHBondContact CA-OD1 3.43Å; V85-N104 PolarHBondContact O-ND2 2.95Å; V88-N104 HydrophobicContact CB-CB 4.47Å; V88-N104 HydrophobicContact CG1-CB 3.76Å; D89-N104 VanDerWaalsContact CG-ND2 3.31Å; D89-N104 PolarHBondContact OD1-ND2 2.89Å; Y101-N104 HydrophobicContact CE2-CB 4.46Å; Y101-N104 VanDerWaalsContact OH-CB 3.25Å; Y101-N104 WeakPolarHBondContact OH-CB 3.1Å; Y101-N104 PolarHBondContact OH-N 3.3Å; Y101-N104 PolarHBondContact OH-ND2 2.96Å; N104-V120 HydrophobicContact CB-CG1 3.95Å; N104-I121 CarbonylContact C-O 3.59Å; N104-I121 VanDerWaalsContact CA-O 3.26Å; N104-I121 WeakPolarHBondContact CA-O 3.41Å; N104-M122 HydrophobicContact CB-CG 4Å |
| 105 | Q | 81.7 | Confident | 82 | Confident | 28 Ų | 28 | 66.9 Ų | 66.9 | 13% | 0.131 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 125 | 176.7 | 179.3 | 178.6 | -10.4 | 0 | 0 | 110.2 | V107 V120 I121 S177 | Q105-V107 HydrophobicContact CG-CG1 4.44Å; Q105-V107 PolarHBondContact O-N 2.46Å; Q105-V120 CarbonylContact O-C 3.48Å; Q105-V120 VanDerWaalsContact O-CA 3.31Å; Q105-V120 WeakPolarHBondContact O-CA 3.26Å; Q105-V120 WeakPolarHBondContact O-CG1 3.25Å; Q105-I121 PolarHBondContact N-O 2.99Å; Q105-I121 PolarHBondContact O-N 2.81Å; Q105-S177 PolarHBondContact NE2-OG 3.41Å |
| 106 | V | 82.1 | Confident | 81.8 | Confident | 19 Ų | 19 | 65.8 Ų | 65.8 | 12% | 0.115 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 120 | 167.6 | -174.7 | 0 | 0 | 0 | 0 | 108.4 | T81 L84 V85 L109 V120 | T81-V106 HydrophobicContact CG2-CB 4.04Å; T81-V106 HydrophobicContact CG2-CG2 3.99Å; L84-V106 HydrophobicContact CD2-CG2 3.85Å; L84-V106 HydrophobicContact CG-CG2 4.36Å; V85-V106 HydrophobicContact CG2-CG2 3.73Å; V106-L109 HydrophobicContact CG1-CD2 3.72Å; V106-L109 HydrophobicContact CG1-CG 3.99Å; V106-V120 HydrophobicContact CG2-CG2 4.03Å |
| 107 | V | 78.8 | Confident | 81.8 | Confident | 52 Ų | 52 | 64 Ų | 64 | 32% | 0.315 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | -25.6 | -179.8 | -69.5 | 0 | 0 | 0 | 0 | 112.4 | Q105 D119 I121 T173 | Q105-V107 HydrophobicContact CG-CG1 4.44Å; Q105-V107 PolarHBondContact O-N 2.46Å; V107-D119 HydrophobicContact CG2-CB 3.98Å; V107-D119 VanDerWaalsContact CG2-O 3.26Å; V107-D119 WeakPolarHBondContact CG2-O 2.88Å; V107-D119 PolarHBondContact N-O 3.36Å; V107-I121 HydrophobicContact CB-CG1 4.39Å; V107-I121 HydrophobicContact CG1-CB 4.32Å; V107-I121 HydrophobicContact CG1-CG1 3.56Å; V107-I121 HydrophobicContact CG2-CD1 4.35Å; V107-I121 HydrophobicContact CG2-CG1 3.92Å; V107-T173 HydrophobicContact CG1-CG2 4.27Å |
| 108 | R | 77.9 | Confident | 81.7 | Confident | 151 Ų | 151 | 62.3 Ų | 62.3 | 57% | 0.57 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 142.9 | 177.6 | 176.4 | 178.7 | 169.8 | 175.7 | -4.1 | 110.9 | T110 D119 | R108-T110 PolarHBondContact NE-OG1 2.91Å; R108-T110 PolarHBondContact NH2-OG1 3.36Å; R108-D119 HydrophobicContact CB-CB 4.06Å; R108-D119 PolarHBondContact N-O 2.93Å; R108-D119 PolarHBondContact O-N 2.87Å |
| 109 | L | 77.1 | Confident | 81.7 | Confident | 20 Ų | 20 | 57 Ų | 57 | 11% | 0.105 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 126.3 | 166 | -65.5 | -178.3 | 0 | 0 | 0 | 107.4 | L77 T81 V106 V116 K117 A118 | L77-L109 HydrophobicContact CD2-CD1 3.81Å; T81-L109 WeakPolarHBondContact OG1-CD1 3.36Å; V106-L109 HydrophobicContact CG1-CD2 3.72Å; V106-L109 HydrophobicContact CG1-CG 3.99Å; L109-V116 HydrophobicContact CB-CG1 4.02Å; L109-V116 HydrophobicContact CD2-CG1 4.19Å; L109-K117 CarbonylContact C-O 3.54Å; L109-K117 WeakPolarHBondContact CA-O 3.13Å; L109-A118 HydrophobicContact CD2-CB 3.37Å |
| 110 | T | 78.4 | Confident | 81.9 | Confident | 31 Ų | 31 | 47.8 Ų | 47.8 | 19% | 0.19 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 119.8 | -179 | -48.2 | 0 | 0 | 0 | 0 | 108.6 | R108 K117 | R108-T110 PolarHBondContact NE-OG1 2.91Å; R108-T110 PolarHBondContact NH2-OG1 3.36Å; T110-K117 PolarHBondContact N-O 3.41Å; T110-K117 PolarHBondContact O-N 3.33Å |
| 111 | P | 73.2 | Confident | 82 | Confident | 62 Ų | 62 | 45.6 Ų | 45.6 | 40% | 0.403 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 140.2 | 171.8 | -17.2 | 29.3 | 0 | 0 | 0 | 111.1 | F66 | F66-P111 HydrophobicContact CD2-CB 4.31Å; F66-P111 HydrophobicContact CD2-CG 4.44Å; F66-P111 HydrophobicContact CE1-CG 3.8Å; F66-P111 HydrophobicContact CE2-CB 3.67Å; F66-P111 HydrophobicContact CE2-CG 3.46Å; F66-P111 VanDerWaalsContact CE2-CG 3.46Å; F66-P111 HydrophobicContact CZ-CB 3.84Å; F66-P111 HydrophobicContact CZ-CG 3.1Å |
| 112 | E | 77.4 | Confident | 82.1 | Confident | 74 Ų | 74 | 44.8 Ų | 44.8 | 35% | 0.346 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 165 | 174.1 | -67.1 | -169.3 | 167.8 | 0 | 0 | 109.9 | D114 G115 K117 | E112-D114 PolarHBondContact O-N 3.13Å; E112-G115 PolarHBondContact N-O 3.47Å; E112-G115 PolarHBondContact O-N 3.35Å; E112-G115 VanDerWaalsContact O-N 3.11Å; E112-K117 HydrophobicContact CG-CB 4.06Å; E112-K117 WeakPolarHBondContact OE1-CB 3.47Å; E112-K117 VanDerWaalsContact OE1-CD 3.24Å; E112-K117 WeakPolarHBondContact OE1-CD 3.5Å |
| 113 | E | 71 | Confident | 82.3 | Confident | 165 Ų | 165 | 41.8 Ų | 41.8 | 77% | 0.771 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -31.2 | -173.5 | -69.1 | 179.8 | 168.5 | 0 | 0 | 114.5 | N63 | N63-E113 PolarHBondContact ND2-O 3.22Š|
| 114 | D | 75.9 | Confident | 82.5 | Confident | 102 Ų | 102 | 38.6 Ų | 38.6 | 55% | 0.545 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | 25.8 | 179.9 | -40.6 | -59.9 | 0 | 0 | 0 | 113.7 | K56 E112 | K56-D114 IonicContact NZ-OD2 3.96Å; K56-D114 PolarHBondContact NZ-OD2 3.03Å; E112-D114 PolarHBondContact O-N 3.13Å |
| 115 | G | 79.4 | Confident | 82.6 | Confident | 4 Ų | 4 | 40.3 Ų | 40.3 | 4% | 0.041 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 145 | -137 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | I57 E112 | I57-G115 WeakPolarHBondContact O-CA 3.29Å; E112-G115 PolarHBondContact N-O 3.47Å; E112-G115 PolarHBondContact O-N 3.35Å; E112-G115 VanDerWaalsContact O-N 3.11Å |
| 116 | V | 83.1 | Confident | 82.7 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 127.6 | -176.4 | 179.6 | 0 | 0 | 0 | 0 | 110.7 | I57 I62 L109 | I57-V116 PolarHBondContact N-O 3.19Å; I57-V116 PolarHBondContact O-N 3.36Å; I62-V116 HydrophobicContact CB-CG2 4.48Å; I62-V116 HydrophobicContact CD1-CG2 3.48Å; I62-V116 VanDerWaalsContact CD1-CG2 3.48Å; I62-V116 HydrophobicContact CG2-CG2 3.88Å; L109-V116 HydrophobicContact CB-CG1 4.02Å; L109-V116 HydrophobicContact CD2-CG1 4.19Å |
| 117 | K | 86.8 | Confident | 82.2 | Confident | 65 Ų | 65 | 41.3 Ų | 41.3 | 28% | 0.283 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 123 | 168 | -179.2 | 178.3 | -179.2 | 176.6 | 0 | 110.3 | S54 F55 L109 T110 E112 | S54-K117 WeakPolarHBondContact OG-CE 3.25Å; F55-K117 CarbonylContact O-C 3.51Å; F55-K117 WeakPolarHBondContact O-CA 3.39Å; L109-K117 CarbonylContact C-O 3.54Å; L109-K117 WeakPolarHBondContact CA-O 3.13Å; T110-K117 PolarHBondContact N-O 3.41Å; T110-K117 PolarHBondContact O-N 3.33Å; E112-K117 HydrophobicContact CG-CB 4.06Å; E112-K117 WeakPolarHBondContact OE1-CB 3.47Å; E112-K117 VanDerWaalsContact OE1-CD 3.24Å; E112-K117 WeakPolarHBondContact OE1-CD 3.5Å |
| 118 | A | 86.4 | Confident | 81.3 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 123.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | S54 F55 I57 L84 L109 | S54-A118 CarbonylContact C-O 3.57Å; S54-A118 WeakPolarHBondContact CA-O 3.37Å; F55-A118 HydrophobicContact CB-CB 4.46Å; F55-A118 PolarHBondContact N-O 3.24Å; F55-A118 PolarHBondContact O-N 3.15Å; I57-A118 HydrophobicContact CD1-CB 4.05Å; L84-A118 HydrophobicContact CD2-CB 3.38Å; L109-A118 HydrophobicContact CD2-CB 3.37Å |
| 119 | D | 88.3 | Confident | 80.7 | Confident | 15 Ų | 15 | 42.7 Ų | 42.7 | 8% | 0.08 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 121.9 | 170.9 | -63 | -59.2 | 0 | 0 | 0 | 108.5 | H52 G53 V107 R108 | H52-D119 IonicContact CE1-OD1 3.68Å; H52-D119 PolarHBondContact CE1-OD1 2.99Å; H52-D119 VanDerWaalsContact CE1-OD1 3.32Å; H52-D119 WeakPolarHBondContact NE2-CB 3.35Å; H52-D119 IonicContact NE2-OD1 2.58Å; H52-D119 PolarHBondContact NE2-OD1 2.9Å; G53-D119 CarbonylContact O-C 3.53Å; G53-D119 WeakPolarHBondContact O-CA 3.47Å; V107-D119 HydrophobicContact CG2-CB 3.98Å; V107-D119 VanDerWaalsContact CG2-O 3.26Å; V107-D119 WeakPolarHBondContact CG2-O 2.88Å; V107-D119 PolarHBondContact N-O 3.36Å; R108-D119 HydrophobicContact CB-CB 4.06Å; R108-D119 PolarHBondContact N-O 2.93Å; R108-D119 PolarHBondContact O-N 2.87Å |
| 120 | V | 89.2 | Confident | 80.6 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 134 | -174.3 | -172.6 | 0 | 0 | 0 | 0 | 109.4 | G53 F55 L84 N104 Q105 V106 M122 | G53-V120 PolarHBondContact N-O 2.58Å; G53-V120 PolarHBondContact O-N 2.79Å; F55-V120 HydrophobicContact CD2-CB 4.31Å; F55-V120 HydrophobicContact CD2-CG2 3.69Å; F55-V120 HydrophobicContact CE2-CB 3.8Å; F55-V120 HydrophobicContact CE2-CG2 3.64Å; L84-V120 HydrophobicContact CD2-CG2 3.86Å; N104-V120 HydrophobicContact CB-CG1 3.95Å; Q105-V120 CarbonylContact O-C 3.48Å; Q105-V120 VanDerWaalsContact O-CA 3.31Å; Q105-V120 WeakPolarHBondContact O-CA 3.26Å; Q105-V120 WeakPolarHBondContact O-CG1 3.25Å; V106-V120 HydrophobicContact CG2-CG2 4.03Å; V120-M122 HydrophobicContact CG1-CG 4.4Å |
| 121 | I | 89.3 | Confident | 80.8 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 119.8 | 169.8 | -56.5 | -57.8 | 0 | 0 | 0 | 109 | Y50 H52 N104 Q105 V107 V123 M165 T173 V174 | Y50-I121 HydrophobicContact CD1-CG2 4.14Å; H52-I121 HydrophobicContact CB-CD1 4.08Å; N104-I121 CarbonylContact C-O 3.59Å; N104-I121 VanDerWaalsContact CA-O 3.26Å; N104-I121 WeakPolarHBondContact CA-O 3.41Å; Q105-I121 PolarHBondContact N-O 2.99Å; Q105-I121 PolarHBondContact O-N 2.81Å; V107-I121 HydrophobicContact CB-CG1 4.39Å; V107-I121 HydrophobicContact CG1-CB 4.32Å; V107-I121 HydrophobicContact CG1-CG1 3.56Å; V107-I121 HydrophobicContact CG2-CD1 4.35Å; V107-I121 HydrophobicContact CG2-CG1 3.92Å; I121-V123 HydrophobicContact CG2-CG2 4.44Å; I121-M165 HydrophobicContact CD1-CE 4.31Å; I121-M165 HydrophobicContact CD1-SD 3.42Å; I121-M165 WeakPolarHBondContact CD1-SD 3.42Å; I121-T173 HydrophobicContact CD1-CG2 4.09Å; I121-T173 HydrophobicContact CG1-CG2 3.9Å; I121-V174 HydrophobicContact CB-CG2 4.15Å; I121-V174 HydrophobicContact CG2-CG2 3.58Å |
| 122 | M | 92.2 | Very high | 81.2 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 132.8 | 172.7 | -60.5 | 164.8 | -75 | 0 | 0 | 109.3 | Y50 Y51 V88 F92 N104 V120 F124 L143 V162 | Y50-M122 WeakPolarHBondContact CA-O 3.47Å; Y51-M122 PolarHBondContact N-O 3.16Å; Y51-M122 PolarHBondContact O-N 2.85Å; V88-M122 HydrophobicContact CG1-CG 4.29Å; V88-M122 HydrophobicContact CG1-SD 4.28Å; F92-M122 HydrophobicContact CE2-SD 3.78Å; F92-M122 HydrophobicContact CZ-SD 4.15Å; N104-M122 HydrophobicContact CB-CG 4Å; V120-M122 HydrophobicContact CG1-CG 4.4Å; M122-F124 HydrophobicContact CB-CD2 4.29Å; M122-F124 HydrophobicContact CB-CE2 3.6Å; M122-F124 HydrophobicContact CB-CZ 4.44Å; M122-L143 HydrophobicContact CE-CD1 3.98Å; M122-L143 HydrophobicContact SD-CD1 3.77Å; M122-V162 HydrophobicContact CE-CG1 4.04Å; M122-V162 HydrophobicContact CE-CG2 4.18Å |
| 123 | V | 89.5 | Confident | 81.6 | Confident | 8 Ų | 8 | 49.8 Ų | 49.8 | 5% | 0.048 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 126.8 | -178 | -171.7 | 0 | 0 | 0 | 0 | 108.5 | M48 E49 Y50 I102 K103 I121 V174 | M48-V123 HydrophobicContact SD-CG1 4.14Å; E49-V123 WeakPolarHBondContact O-CA 3.16Å; Y50-V123 HydrophobicContact CD1-CG1 4.41Å; Y50-V123 HydrophobicContact CD1-CG2 3.85Å; Y50-V123 HydrophobicContact CE1-CG1 4.12Å; Y50-V123 HydrophobicContact CE1-CG2 3.91Å; I102-V123 HydrophobicContact CB-CB 4.24Å; I102-V123 HydrophobicContact CB-CG1 4.17Å; I102-V123 WeakPolarHBondContact CB-O 3.42Å; I102-V123 HydrophobicContact CG1-CG1 4.45Å; I102-V123 PolarHBondContact N-O 3.41Å; K103-V123 HydrophobicContact CG-CB 4.15Å; K103-V123 HydrophobicContact CG-CG2 4.07Å; K103-V123 PolarHBondContact N-O 3.41Å; K103-V123 PolarHBondContact O-N 3.3Å; I121-V123 HydrophobicContact CG2-CG2 4.44Å; V123-V174 HydrophobicContact CG2-CG2 4.44Å |
| 124 | F | 89.8 | Confident | 82.4 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 159 | 176.5 | -65.1 | -98.4 | 0 | 0 | 0 | 110.6 | M48 E49 Y51 F92 W97 N100 Y101 M122 F126 I139 | M48-F124 WeakPolarHBondContact CA-O 3.16Å; E49-F124 PolarHBondContact N-O 2.83Å; E49-F124 PolarHBondContact O-N 3.44Å; Y51-F124 AromaticContact CD2-CD2 3.64Å; Y51-F124 HydrophobicContact CD2-CD2 3.64Å; Y51-F124 HydrophobicContact CD2-CE2 4.16Å; Y51-F124 HydrophobicContact CE2-CB 4.49Å; Y51-F124 HydrophobicContact CE2-CD2 4.04Å; F92-F124 HydrophobicContact CD1-CE1 4.01Å; F92-F124 HydrophobicContact CD1-CZ 4.01Å; F92-F124 HydrophobicContact CD2-CZ 4.34Å; F92-F124 HydrophobicContact CE1-CE1 4.06Å; F92-F124 AromaticContact CE1-CZ 3.7Å; F92-F124 HydrophobicContact CE1-CZ 3.7Å; F92-F124 HydrophobicContact CE2-CZ 4.05Å; F92-F124 HydrophobicContact CG-CE1 4.42Å; F92-F124 HydrophobicContact CG-CZ 4.33Å; F92-F124 AromaticContact CZ-CZ 3.73Å; F92-F124 HydrophobicContact CZ-CZ 3.73Å; W97-F124 HydrophobicContact CE3-CE1 4.22Å; N100-F124 CarbonylContact O-C 3.58Å; N100-F124 WeakPolarHBondContact O-CA 3.43Å; N100-F124 WeakPolarHBondContact O-CB 3.35Å; Y101-F124 HydrophobicContact CD2-CD1 4.2Å; Y101-F124 AromaticContact CD2-CE1 3.69Å; Y101-F124 HydrophobicContact CD2-CE1 3.69Å; Y101-F124 HydrophobicContact CD2-CE2 4.42Å; Y101-F124 AromaticContact CD2-CZ 3.82Å; Y101-F124 HydrophobicContact CD2-CZ 3.82Å; Y101-F124 HydrophobicContact CE2-CZ 4.49Å; Y101-F124 HydrophobicContact CG-CE1 4.32Å; M122-F124 HydrophobicContact CB-CD2 4.29Å; M122-F124 HydrophobicContact CB-CE2 3.6Å; M122-F124 HydrophobicContact CB-CZ 4.44Å; F124-F126 HydrophobicContact CB-CD2 3.84Å; F124-F126 HydrophobicContact CB-CE2 3.19Å; F124-F126 HydrophobicContact CB-CZ 3.68Å; F124-F126 HydrophobicContact CD1-CE2 4.15Å; F124-F126 AromaticContact CD1-CZ 3.75Å; F124-F126 HydrophobicContact CD1-CZ 3.75Å; F124-F126 AromaticContact CG-CE2 3.75Å; F124-F126 HydrophobicContact CG-CE2 3.75Å; F124-F126 AromaticContact CG-CZ 3.85Å; F124-F126 HydrophobicContact CG-CZ 3.85Å; F124-I139 HydrophobicContact CD2-CD1 4.17Å; F124-I139 HydrophobicContact CE2-CD1 3.9Å; F124-I139 HydrophobicContact CE2-CG2 4.45Å; F124-I139 HydrophobicContact CZ-CD1 4.1Å; F124-I139 HydrophobicContact CZ-CG1 4.31Å; F124-I139 HydrophobicContact CZ-CG2 4.34Å |
| 125 | Q | 88.1 | Confident | 83 | Confident | 48 Ų | 48 | 40.3 Ų | 40.3 | 22% | 0.224 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 114.9 | 175.1 | -174.3 | 168.6 | 32.4 | 0 | 0 | 108 | Q46 M48 N100 I102 | Q46-Q125 HydrophobicContact CB-CG 3.46Å; Q46-Q125 VanDerWaalsContact CB-CG 3.46Å; Q46-Q125 HydrophobicContact CG-CG 4.4Å; Q46-Q125 PolarHBondContact O-NE2 3.08Å; Q46-Q125 VanDerWaalsContact OE1-CG 3.29Å; M48-Q125 HydrophobicContact CE-CB 4.37Å; M48-Q125 HydrophobicContact CE-CG 4.37Å; M48-Q125 HydrophobicContact SD-CB 3.95Å; M48-Q125 HydrophobicContact SD-CG 4.29Å; N100-Q125 WeakPolarHBondContact CA-O 3.47Å; N100-Q125 VanDerWaalsContact CB-O 3.25Å; N100-Q125 WeakPolarHBondContact CB-O 3.26Å; N100-Q125 PolarHBondContact O-N 3.27Å; I102-Q125 HydrophobicContact CD1-CB 3.83Å; I102-Q125 HydrophobicContact CG1-CB 3.97Å |
| 126 | F | 82.8 | Confident | 83.5 | Confident | 13 Ų | 13 | 42.3 Ų | 42.3 | 6% | 0.057 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 144.8 | -178 | -65.6 | -75.6 | 0 | 0 | 0 | 111.4 | E49 Y51 W97 N100 F124 R135 I139 | E49-F126 HydrophobicContact CB-CD2 4.36Å; E49-F126 HydrophobicContact CG-CD2 4.37Å; Y51-F126 HydrophobicContact CE2-CE2 4.04Å; W97-F126 HydrophobicContact CE3-CE1 4.02Å; W97-F126 HydrophobicContact CE3-CZ 4.01Å; W97-F126 AromaticContact CZ3-CE1 3.7Å; W97-F126 HydrophobicContact CZ3-CE1 3.7Å; W97-F126 AromaticContact CZ3-CZ 3.65Å; W97-F126 HydrophobicContact CZ3-CZ 3.65Å; N100-F126 HydrophobicContact CB-CD1 3.94Å; N100-F126 HydrophobicContact CB-CE1 3.7Å; N100-F126 HydrophobicContact CB-CZ 4.33Å; N100-F126 VanDerWaalsContact ND2-CD1 3.32Å; N100-F126 WeakPolarHBondContact ND2-CD1 3.48Å; N100-F126 WeakPolarHBondContact ND2-CE1 3.24Å; F124-F126 HydrophobicContact CB-CD2 3.84Å; F124-F126 HydrophobicContact CB-CE2 3.19Å; F124-F126 HydrophobicContact CB-CZ 3.68Å; F124-F126 HydrophobicContact CD1-CE2 4.15Å; F124-F126 AromaticContact CD1-CZ 3.75Å; F124-F126 HydrophobicContact CD1-CZ 3.75Å; F124-F126 AromaticContact CG-CE2 3.75Å; F124-F126 HydrophobicContact CG-CE2 3.75Å; F124-F126 AromaticContact CG-CZ 3.85Å; F124-F126 HydrophobicContact CG-CZ 3.85Å; F126-R135 VanDerWaalsContact CE2-CD 3.42Å; F126-R135 VanDerWaalsContact CG-CD 3.41Å; F126-I139 HydrophobicContact CZ-CD1 4.34Å |
| 127 | P | 70.9 | Confident | 83.9 | Confident | 54 Ų | 54 | 49.4 Ų | 49.4 | 35% | 0.351 | 26% | 0.264 | S | S | . | . | trans | -68.1 | 143.6 | 161.6 | 27.8 | -30.1 | 0 | 0 | 0 | 109.8 | T129 | P127-T129 PolarHBondContact O-N 2.92Š| ||
| 128 | S | 60.6 | Low | 84.2 | Confident | 106 Ų | 106 | 51 Ų | 51 | 74% | 0.741 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | 16.1 | -164.4 | -174.8 | 0 | 0 | 0 | 0 | 116.8 | ||
| 129 | T | 66.3 | Low | 84.4 | Confident | 126 Ų | 126 | 51 Ų | 51 | 77% | 0.773 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -26.5 | -164 | 53.3 | 0 | 0 | 0 | 0 | 115 | P127 | P127-T129 PolarHBondContact O-N 2.92Š|
| 130 | E | 74.7 | Confident | 84.7 | Confident | 67 Ų | 67 | 52.9 Ų | 52.9 | 31% | 0.313 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -101.3 | 150.5 | -178 | 179.2 | 173.5 | -133.5 | 0 | 0 | 112.1 | V134 R135 K138 | E130-V134 HydrophobicContact CG-CB 4.22Å; E130-V134 HydrophobicContact CG-CG1 4.28Å; E130-V134 VanDerWaalsContact OE1-CG1 3.32Å; E130-V134 WeakPolarHBondContact OE1-CG1 3.31Å; E130-R135 VanDerWaalsContact CB-NH1 3.33Å; E130-R135 HydrophobicContact CG-CG 4.24Å; E130-R135 PolarHBondContact O-NH1 3.47Å; E130-R135 PolarHBondContact O-NH2 2.79Å; E130-R135 WeakPolarHBondContact OE2-CG 3.36Å; E130-K138 WeakPolarHBondContact OE1-CE 3.35Å; E130-K138 IonicContact OE1-NZ 3.82Å; E130-K138 PolarHBondContact OE1-NZ 3.11Å; E130-K138 IonicContact OE2-NZ 2.75Å |
| 131 | Q | 81.6 | Confident | 84.7 | Confident | 146 Ų | 146 | 56.4 Ų | 56.4 | 68% | 0.682 | 30% | 0.304 | S | S | * | . | trans | -70.3 | 137.2 | 175.8 | -70.6 | -176.4 | 6.7 | 0 | 0 | 111.2 | A133 V134 R135 | Q131-A133 VanDerWaalsContact C-N 3.33Å; Q131-A133 PolarHBondContact O-N 3.08Å; Q131-V134 HydrophobicContact CB-CG2 4.03Å; Q131-V134 WeakPolarHBondContact O-CB 3.36Å; Q131-V134 PolarHBondContact O-N 3.2Å; Q131-R135 PolarHBondContact O-N 3.37Å | ||
| 132 | R | 82.3 | Confident | 84.8 | Confident | 67 Ų | 67 | 57.9 Ų | 57.9 | 25% | 0.253 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.9 | -41.1 | -177.3 | -169.3 | 173.6 | -162.3 | -157.8 | -9.1 | 114.3 | Y50 V134 R135 E136 A164 M165 | Y50-R132 PolarHBondContact O-NH2 3.28Å; R132-V134 PolarHBondContact O-N 2.79Å; R132-R135 PolarHBondContact O-N 3.35Å; R132-E136 PolarHBondContact O-N 3.35Å; R132-A164 HydrophobicContact CG-CB 4Å; R132-M165 PolarHBondContact NH1-O 3.29Å; R132-M165 VanDerWaalsContact NH2-N 3.2Å; R132-M165 PolarHBondContact NH2-O 3.37Å |
| 133 | A | 85.3 | Confident | 84.7 | Confident | 57 Ų | 57 | 57.9 Ų | 57.9 | 47% | 0.471 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.9 | -30.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q131 K137 | Q131-A133 VanDerWaalsContact C-N 3.33Å; Q131-A133 PolarHBondContact O-N 3.08Å; A133-K137 WeakPolarHBondContact O-CG 3.32Å; A133-K137 PolarHBondContact O-N 2.77Å |
| 134 | V | 87.9 | Confident | 84.7 | Confident | 58 Ų | 58 | 59.2 Ų | 59.2 | 35% | 0.352 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -70.7 | -43.8 | 175.7 | 179.5 | 0 | 0 | 0 | 0 | 110.1 | E130 Q131 R132 K137 K138 | E130-V134 HydrophobicContact CG-CB 4.22Å; E130-V134 HydrophobicContact CG-CG1 4.28Å; E130-V134 VanDerWaalsContact OE1-CG1 3.32Å; E130-V134 WeakPolarHBondContact OE1-CG1 3.31Å; Q131-V134 HydrophobicContact CB-CG2 4.03Å; Q131-V134 WeakPolarHBondContact O-CB 3.36Å; Q131-V134 PolarHBondContact O-N 3.2Å; R132-V134 PolarHBondContact O-N 2.79Å; V134-K137 PolarHBondContact O-N 3.49Å; V134-K138 HydrophobicContact CG1-CD 4.24Å; V134-K138 WeakPolarHBondContact O-CB 3.16Å; V134-K138 WeakPolarHBondContact O-CG 3.45Å; V134-K138 PolarHBondContact O-N 2.7Å |
| 135 | R | 88.9 | Confident | 84.6 | Confident | 9 Ų | 9 | 64.9 Ų | 64.9 | 3% | 0.034 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 174.5 | -75.1 | -167.4 | -72.3 | -77.9 | -2.4 | 112.6 | E49 Y51 F126 E130 Q131 R132 K137 K138 I139 | E49-R135 IonicContact OE1-CZ 3.23Å; E49-R135 IonicContact OE1-NE 3.55Å; E49-R135 IonicContact OE1-NH2 3.27Å; E49-R135 PolarHBondContact OE1-NH2 2.82Å; E49-R135 IonicContact OE2-CZ 2.74Å; E49-R135 IonicContact OE2-NE 3.19Å; E49-R135 PolarHBondContact OE2-NE 2.66Å; E49-R135 IonicContact OE2-NH2 3.01Å; E49-R135 PolarHBondContact OE2-NH2 3.43Å; Y51-R135 WeakPolarHBondContact OH-CB 3.5Å; Y51-R135 PolarHBondContact OH-NE 3.33Å; F126-R135 VanDerWaalsContact CE2-CD 3.42Å; F126-R135 VanDerWaalsContact CG-CD 3.41Å; E130-R135 VanDerWaalsContact CB-NH1 3.33Å; E130-R135 HydrophobicContact CG-CG 4.24Å; E130-R135 PolarHBondContact O-NH1 3.47Å; E130-R135 PolarHBondContact O-NH2 2.79Å; E130-R135 WeakPolarHBondContact OE2-CG 3.36Å; Q131-R135 PolarHBondContact O-N 3.37Å; R132-R135 PolarHBondContact O-N 3.35Å; R135-K137 PolarHBondContact O-N 3.4Å; R135-K138 PolarHBondContact O-N 3.44Å; R135-K138 VanDerWaalsContact O-N 3.15Å; R135-I139 WeakPolarHBondContact O-CB 3.44Å; R135-I139 VanDerWaalsContact O-CG1 3.25Å; R135-I139 WeakPolarHBondContact O-CG1 3.27Å; R135-I139 PolarHBondContact O-N 2.79Å |
| 136 | E | 90.4 | Very high | 84.6 | Confident | 47 Ų | 47 | 66.7 Ų | 66.7 | 22% | 0.22 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -52.7 | -53.1 | 176.2 | -175.4 | -176.3 | 108.1 | 0 | 0 | 111.3 | Y51 R132 K138 I139 Q140 V162 A164 | Y51-E136 HydrophobicContact CD1-CB 4.45Å; Y51-E136 HydrophobicContact CE1-CB 3.99Å; R132-E136 PolarHBondContact O-N 3.35Å; E136-K138 VanDerWaalsContact C-N 3.33Å; E136-K138 PolarHBondContact O-N 2.8Å; E136-I139 PolarHBondContact O-N 3.46Å; E136-Q140 WeakPolarHBondContact O-CB 3.5Å; E136-Q140 PolarHBondContact O-N 3.21Å; E136-V162 VanDerWaalsContact CG-O 3.27Å; E136-V162 WeakPolarHBondContact CG-O 3.06Å; E136-A164 HydrophobicContact CB-CB 4.47Å; E136-A164 HydrophobicContact CG-CB 4.46Å; E136-A164 WeakPolarHBondContact OE2-CB 3.35Å; E136-A164 PolarHBondContact OE2-N 2.83Å |
| 137 | K | 91.2 | Very high | 84.7 | Confident | 150 Ų | 150 | 66.3 Ų | 66.3 | 65% | 0.652 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -61.2 | -40 | 177.5 | -72.3 | -176.2 | 178.8 | -175.4 | 0 | 112.7 | A133 V134 R135 S141 | A133-K137 WeakPolarHBondContact O-CG 3.32Å; A133-K137 PolarHBondContact O-N 2.77Å; V134-K137 PolarHBondContact O-N 3.49Å; R135-K137 PolarHBondContact O-N 3.4Å; K137-S141 VanDerWaalsContact O-CB 3.29Å; K137-S141 WeakPolarHBondContact O-CB 3.23Å; K137-S141 PolarHBondContact O-N 3.37Å |
| 138 | K | 91.7 | Very high | 85 | Confident | 99 Ų | 99 | 72 Ų | 72 | 43% | 0.43 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.7 | -44.8 | 177 | -77.3 | 178.8 | 173.8 | 179.5 | 0 | 111.8 | W97 E130 V134 R135 E136 S141 F142 | W97-K138 HydrophobicContact CH2-CB 3.69Å; W97-K138 HydrophobicContact CH2-CD 4.46Å; W97-K138 HydrophobicContact CZ2-CB 3.79Å; E130-K138 WeakPolarHBondContact OE1-CE 3.35Å; E130-K138 IonicContact OE1-NZ 3.82Å; E130-K138 PolarHBondContact OE1-NZ 3.11Å; E130-K138 IonicContact OE2-NZ 2.75Å; V134-K138 HydrophobicContact CG1-CD 4.24Å; V134-K138 WeakPolarHBondContact O-CB 3.16Å; V134-K138 WeakPolarHBondContact O-CG 3.45Å; V134-K138 PolarHBondContact O-N 2.7Å; R135-K138 PolarHBondContact O-N 3.44Å; R135-K138 VanDerWaalsContact O-N 3.15Å; E136-K138 VanDerWaalsContact C-N 3.33Å; E136-K138 PolarHBondContact O-N 2.8Å; K138-S141 PolarHBondContact O-N 3.06Å; K138-F142 WeakPolarHBondContact O-CB 3.2Å; K138-F142 PolarHBondContact O-N 3.49Å |
| 139 | I | 91.7 | Very high | 85.6 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.5 | -47.4 | 176.9 | -68.4 | 165.2 | 0 | 0 | 0 | 109.8 | Y51 F92 W97 F124 F126 R135 E136 F142 L143 V162 | Y51-I139 HydrophobicContact CD1-CD1 3.99Å; Y51-I139 HydrophobicContact CD2-CD1 4.01Å; Y51-I139 HydrophobicContact CE1-CD1 3.79Å; Y51-I139 HydrophobicContact CE2-CD1 3.84Å; Y51-I139 HydrophobicContact CG-CD1 4.09Å; F92-I139 HydrophobicContact CE1-CG2 4.34Å; F92-I139 HydrophobicContact CZ-CG2 3.95Å; W97-I139 HydrophobicContact CE3-CG1 4.34Å; W97-I139 HydrophobicContact CH2-CG1 3.75Å; W97-I139 HydrophobicContact CZ2-CG1 4.31Å; W97-I139 HydrophobicContact CZ3-CD1 4.34Å; W97-I139 HydrophobicContact CZ3-CG1 3.76Å; F124-I139 HydrophobicContact CD2-CD1 4.17Å; F124-I139 HydrophobicContact CE2-CD1 3.9Å; F124-I139 HydrophobicContact CE2-CG2 4.45Å; F124-I139 HydrophobicContact CZ-CD1 4.1Å; F124-I139 HydrophobicContact CZ-CG1 4.31Å; F124-I139 HydrophobicContact CZ-CG2 4.34Å; F126-I139 HydrophobicContact CZ-CD1 4.34Å; R135-I139 WeakPolarHBondContact O-CB 3.44Å; R135-I139 VanDerWaalsContact O-CG1 3.25Å; R135-I139 WeakPolarHBondContact O-CG1 3.27Å; R135-I139 PolarHBondContact O-N 2.79Å; E136-I139 PolarHBondContact O-N 3.46Å; I139-F142 PolarHBondContact O-N 3.25Å; I139-L143 HydrophobicContact CG2-CD1 3.93Å; I139-L143 WeakPolarHBondContact O-CB 3.49Å; I139-L143 WeakPolarHBondContact O-CG 3.11Å; I139-L143 PolarHBondContact O-N 3.41Å; I139-V162 HydrophobicContact CG2-CG1 4.07Å |
| 140 | Q | 93.4 | Very high | 85.9 | Confident | 54 Ų | 54 | 69 Ų | 69 | 25% | 0.252 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.6 | -50.1 | 177.6 | -169.5 | 177.4 | -2.7 | 0 | 0 | 111.7 | E136 F142 L143 N144 V160 V162 | E136-Q140 WeakPolarHBondContact O-CB 3.5Å; E136-Q140 PolarHBondContact O-N 3.21Å; Q140-F142 VanDerWaalsContact C-N 3.26Å; Q140-F142 PolarHBondContact O-N 3.15Å; Q140-L143 PolarHBondContact O-N 2.7Å; Q140-N144 WeakPolarHBondContact O-CB 3.39Å; Q140-N144 PolarHBondContact O-N 2.79Å; Q140-N144 PolarHBondContact O-OD1 3.01Å; Q140-N144 VanDerWaalsContact O-OD1 3.1Å; Q140-V160 PolarHBondContact NE2-O 3.07Å; Q140-V160 VanDerWaalsContact NE2-O 3.07Å; Q140-V162 HydrophobicContact CB-CB 3.99Å; Q140-V162 HydrophobicContact CB-CG2 3.99Å; Q140-V162 HydrophobicContact CG-CB 4.31Å; Q140-V162 HydrophobicContact CG-CG2 4.14Å |
| 141 | S | 90.8 | Very high | 85.4 | Confident | 75 Ų | 75 | 77.5 Ų | 77.5 | 52% | 0.524 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.7 | -39.7 | 178.3 | -175.8 | 0 | 0 | 0 | 0 | 111.8 | K137 K138 Q145 | K137-S141 VanDerWaalsContact O-CB 3.29Å; K137-S141 WeakPolarHBondContact O-CB 3.23Å; K137-S141 PolarHBondContact O-N 3.37Å; K138-S141 PolarHBondContact O-N 3.06Å; S141-Q145 WeakPolarHBondContact O-CB 3.19Å; S141-Q145 PolarHBondContact O-N 2.73Å |
| 142 | F | 91.4 | Very high | 84.9 | Confident | 31 Ų | 31 | 73.7 Ų | 73.7 | 14% | 0.136 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.7 | -46.2 | 179.6 | -175.9 | -109.1 | 0 | 0 | 0 | 111.9 | I91 F92 W97 K138 I139 Q140 Q145 K146 | I91-F142 HydrophobicContact CG2-CD1 3.89Å; I91-F142 HydrophobicContact CG2-CE1 3.43Å; I91-F142 VanDerWaalsContact CG2-CE1 3.43Å; I91-F142 HydrophobicContact CG2-CZ 4.26Å; I91-F142 VanDerWaalsContact O-CE1 3.29Å; I91-F142 WeakPolarHBondContact O-CE1 3.14Å; I91-F142 WeakPolarHBondContact O-CZ 3.11Å; F92-F142 HydrophobicContact CD1-CD1 4.04Å; F92-F142 AromaticContact CD1-CE1 3.97Å; F92-F142 HydrophobicContact CD1-CE1 3.97Å; F92-F142 AromaticContact CE1-CD1 3.71Å; F92-F142 HydrophobicContact CE1-CD1 3.71Å; F92-F142 HydrophobicContact CE1-CE1 4.12Å; W97-F142 AromaticContact CD1-CD1 3.61Å; W97-F142 AromaticContact CD1-CE1 3.54Å; W97-F142 AromaticContact CD1-CZ 3.93Å; W97-F142 AromaticContact NE1-CD1 3.55Å; W97-F142 AromaticContact NE1-CD2 3.87Å; W97-F142 AromaticContact NE1-CE1 3.94Å; W97-F142 AromaticContact NE1-CG 3.51Å; K138-F142 WeakPolarHBondContact O-CB 3.2Å; K138-F142 PolarHBondContact O-N 3.49Å; I139-F142 PolarHBondContact O-N 3.25Å; Q140-F142 VanDerWaalsContact C-N 3.26Å; Q140-F142 PolarHBondContact O-N 3.15Å; F142-Q145 PolarHBondContact O-N 3.27Å; F142-K146 HydrophobicContact CD2-CG 4.3Å; F142-K146 HydrophobicContact CE1-CG 4.2Å; F142-K146 HydrophobicContact CE2-CD 4.4Å; F142-K146 HydrophobicContact CE2-CG 3.87Å; F142-K146 HydrophobicContact CZ-CD 4.36Å; F142-K146 HydrophobicContact CZ-CG 3.79Å; F142-K146 WeakPolarHBondContact O-CB 3.18Å; F142-K146 WeakPolarHBondContact O-CG 3.43Å; F142-K146 PolarHBondContact O-N 3.48Å |
| 143 | L | 90.5 | Very high | 84.6 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.1 | -48.9 | 173.1 | -79.2 | 165.5 | 0 | 0 | 0 | 111.2 | F55 I91 F92 M122 I139 Q140 Q145 K146 M147 V160 V162 | F55-L143 HydrophobicContact CE1-CD1 4.44Å; F55-L143 HydrophobicContact CE1-CD2 4.33Å; F55-L143 HydrophobicContact CZ-CD1 4.22Å; I91-L143 HydrophobicContact CD1-CD2 3.99Å; I91-L143 HydrophobicContact CG2-CD2 4.17Å; F92-L143 HydrophobicContact CE2-CD1 4.4Å; F92-L143 HydrophobicContact CE2-CD2 3.74Å; F92-L143 HydrophobicContact CE2-CG 4.19Å; F92-L143 HydrophobicContact CZ-CD1 3.94Å; F92-L143 HydrophobicContact CZ-CD2 3.74Å; F92-L143 HydrophobicContact CZ-CG 3.67Å; M122-L143 HydrophobicContact CE-CD1 3.98Å; M122-L143 HydrophobicContact SD-CD1 3.77Å; I139-L143 HydrophobicContact CG2-CD1 3.93Å; I139-L143 WeakPolarHBondContact O-CB 3.49Å; I139-L143 WeakPolarHBondContact O-CG 3.11Å; I139-L143 PolarHBondContact O-N 3.41Å; Q140-L143 PolarHBondContact O-N 2.7Å; L143-Q145 PolarHBondContact O-N 3.08Å; L143-K146 PolarHBondContact O-N 3.45Å; L143-M147 WeakPolarHBondContact O-CB 3.3Å; L143-M147 WeakPolarHBondContact O-CG 3.06Å; L143-M147 PolarHBondContact O-N 2.82Å; L143-V160 HydrophobicContact CB-CG1 4.2Å; L143-V162 HydrophobicContact CD1-CG2 3.71Å |
| 144 | N | 88.1 | Confident | 84.4 | Confident | 36 Ų | 36 | 71.8 Ų | 71.8 | 19% | 0.193 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.1 | -38.8 | 179.2 | -69.1 | 6.3 | 0 | 0 | 0 | 111.9 | Q140 R148 V160 | Q140-N144 WeakPolarHBondContact O-CB 3.39Å; Q140-N144 PolarHBondContact O-N 2.79Å; Q140-N144 PolarHBondContact O-OD1 3.01Å; Q140-N144 VanDerWaalsContact O-OD1 3.1Å; N144-R148 WeakPolarHBondContact O-CG 3.03Å; N144-V160 WeakPolarHBondContact OD1-CB 3.45Å; N144-V160 VanDerWaalsContact OD1-CG1 3.24Å; N144-V160 WeakPolarHBondContact OD1-CG1 3.41Å |
| 145 | Q | 87.9 | Confident | 84.1 | Confident | 120 Ų | 120 | 69.8 Ų | 69.8 | 56% | 0.561 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -70.7 | -46.1 | 178.2 | -175.3 | -177.2 | 5 | 0 | 0 | 112 | S141 F142 L143 | S141-Q145 WeakPolarHBondContact O-CB 3.19Å; S141-Q145 PolarHBondContact O-N 2.73Å; F142-Q145 PolarHBondContact O-N 3.27Å; L143-Q145 PolarHBondContact O-N 3.08Å |
| 146 | K | 87.9 | Confident | 83.9 | Confident | 86 Ų | 86 | 72 Ų | 72 | 37% | 0.374 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -76.4 | -37.8 | -174.4 | -70.5 | -71.5 | -172.4 | 169.1 | 0 | 112.6 | I91 F142 L143 R148 N149 | I91-K146 HydrophobicContact CD1-CB 4.33Å; I91-K146 HydrophobicContact CG1-CB 4Å; I91-K146 HydrophobicContact CG2-CB 3.9Å; I91-K146 HydrophobicContact CG2-CG 4.12Å; F142-K146 HydrophobicContact CD2-CG 4.3Å; F142-K146 HydrophobicContact CE1-CG 4.2Å; F142-K146 HydrophobicContact CE2-CD 4.4Å; F142-K146 HydrophobicContact CE2-CG 3.87Å; F142-K146 HydrophobicContact CZ-CD 4.36Å; F142-K146 HydrophobicContact CZ-CG 3.79Å; F142-K146 WeakPolarHBondContact O-CB 3.18Å; F142-K146 WeakPolarHBondContact O-CG 3.43Å; F142-K146 PolarHBondContact O-N 3.48Å; L143-K146 PolarHBondContact O-N 3.45Å; K146-R148 PolarHBondContact O-N 3.26Å; K146-N149 PolarHBondContact O-N 3Å |
| 147 | M | 84.8 | Confident | 83.5 | Confident | 4 Ų | 4 | 70.1 Ų | 70.1 | 2% | 0.02 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.5 | -27.7 | 179 | -73.7 | -64.7 | -150.3 | 0 | 0 | 113.3 | F55 L84 Q87 V88 I91 L143 N149 L150 I155 A157 | F55-M147 HydrophobicContact CD1-CE 3.57Å; F55-M147 HydrophobicContact CE1-CE 3.42Å; F55-M147 VanDerWaalsContact CE1-CE 3.42Å; F55-M147 HydrophobicContact CZ-CE 4.4Å; L84-M147 HydrophobicContact CD1-CE 4.33Å; Q87-M147 HydrophobicContact CG-SD 4.38Å; Q87-M147 PolarHBondContact NE2-SD 2.88Å; V88-M147 HydrophobicContact CG2-CE 3.96Å; I91-M147 HydrophobicContact CD1-CE 3.97Å; I91-M147 HydrophobicContact CD1-CG 3.97Å; I91-M147 HydrophobicContact CD1-SD 3.51Å; I91-M147 VanDerWaalsContact CD1-SD 3.51Å; L143-M147 WeakPolarHBondContact O-CB 3.3Å; L143-M147 WeakPolarHBondContact O-CG 3.06Å; L143-M147 PolarHBondContact O-N 2.82Å; M147-N149 PolarHBondContact O-N 2.03Å; M147-L150 HydrophobicContact SD-CD1 3.85Å; M147-I155 HydrophobicContact CE-CD1 3.44Å; M147-I155 VanDerWaalsContact CE-CD1 3.44Å; M147-I155 HydrophobicContact SD-CD1 3.72Å; M147-A157 HydrophobicContact CB-CB 4.38Å |
| 148 | R | 78.4 | Confident | 83 | Confident | 175 Ų | 175 | 67.7 Ų | 67.7 | 66% | 0.66 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -23.7 | 175 | -72.9 | 176.7 | -175.2 | -170.5 | -0.5 | 113.8 | N144 K146 A157 | N144-R148 WeakPolarHBondContact O-CG 3.03Å; K146-R148 PolarHBondContact O-N 3.26Å; R148-A157 HydrophobicContact CG-CB 3.43Å; R148-A157 VanDerWaalsContact CG-CB 3.43Å |
| 149 | N | 72.8 | Confident | 82.5 | Confident | 125 Ų | 125 | 64.2 Ų | 64.2 | 67% | 0.668 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | -2.7 | -171.9 | -63.5 | -30.5 | 0 | 0 | 0 | 113 | K146 M147 | K146-N149 PolarHBondContact O-N 3Å; M147-N149 PolarHBondContact O-N 2.03Å |
| 150 | L | 71.6 | Confident | 82.4 | Confident | 42 Ų | 42 | 64.3 Ų | 64.3 | 22% | 0.22 | 33% | 0.33 | C | S | . | . | trans | -90.5 | 139 | -177.1 | -68.5 | 160.9 | 0 | 0 | 0 | 110.2 | Q87 I91 M147 | Q87-L150 HydrophobicContact CG-CB 4.15Å; Q87-L150 HydrophobicContact CG-CD1 3.37Å; Q87-L150 HydrophobicContact CG-CD2 4.25Å; Q87-L150 HydrophobicContact CG-CG 4.11Å; I91-L150 HydrophobicContact CD1-CD1 3.42Å; I91-L150 VanDerWaalsContact CD1-CD1 3.42Å; I91-L150 HydrophobicContact CG1-CD1 3.49Å; I91-L150 VanDerWaalsContact CG1-CD1 3.49Å; M147-L150 HydrophobicContact SD-CD1 3.85Å | ||
| 151 | R | 65.1 | Low | 82.3 | Confident | 247 Ų | 247 | 66.8 Ų | 66.8 | 93% | 0.932 | 34% | 0.342 | S | S | * | . | trans | -105.5 | -10.2 | -173.6 | -63.6 | -174.5 | -176.2 | -178.9 | 0.9 | 114 | ||||
| 152 | A | 71 | Confident | 82.4 | Confident | 65 Ų | 65 | 63.2 Ų | 63.2 | 54% | 0.537 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -78.5 | -40.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I83 | I83-A152 HydrophobicContact CG2-CB 3.5Š|
| 153 | L | 76.7 | Confident | 82.5 | Confident | 11 Ų | 11 | 65.7 Ų | 65.7 | 6% | 0.058 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -126 | 129.1 | 168.5 | -83.6 | 161.3 | 0 | 0 | 0 | 111.4 | I57 T80 I83 L84 Q87 I155 | I57-L153 HydrophobicContact CG2-CD2 3.93Å; T80-L153 HydrophobicContact CG2-CD1 4.37Å; T80-L153 HydrophobicContact CG2-CD2 3.93Å; T80-L153 WeakPolarHBondContact O-CD1 3.2Å; I83-L153 HydrophobicContact CB-CD1 3.67Å; I83-L153 HydrophobicContact CB-CG 4.04Å; I83-L153 HydrophobicContact CG2-CB 4.37Å; I83-L153 HydrophobicContact CG2-CD1 3.54Å; I83-L153 HydrophobicContact CG2-CG 3.58Å; L84-L153 HydrophobicContact CB-CD1 3.75Å; L84-L153 VanDerWaalsContact N-CD1 3.32Å; Q87-L153 VanDerWaalsContact OE1-N 3.17Å; L153-I155 VanDerWaalsContact C-N 3.32Å; L153-I155 HydrophobicContact CB-CD1 4.38Å; L153-I155 HydrophobicContact CB-CG1 4.17Å; L153-I155 PolarHBondContact O-N 2.88Å |
| 154 | P | 80.1 | Confident | 82.4 | Confident | 74 Ų | 74 | 67 Ų | 67 | 48% | 0.481 | 34% | 0.343 | S | S | . | . | trans | -72.4 | 84.2 | 176.6 | 31.5 | -37.1 | 0 | 0 | 0 | 110.7 | L58 | L58-P154 HydrophobicContact CB-CB 4.41Å; L58-P154 WeakPolarHBondContact CB-O 3.12Å; L58-P154 PolarHBondContact N-O 3.17Å; L58-P154 WeakPolarHBondContact O-CG 3.47Å | ||
| 155 | I | 82.4 | Confident | 82.3 | Confident | 15 Ų | 15 | 66.8 Ų | 66.8 | 8% | 0.077 | 34% | 0.341 | C | S | . | . | B | Isolated β-bridge | trans | -90.6 | 131.3 | 178.7 | -64.5 | 174 | 0 | 0 | 0 | 109.4 | F55 I57 L84 M147 L153 A157 V160 | F55-I155 HydrophobicContact CB-CG2 4.35Å; F55-I155 HydrophobicContact CD1-CG2 4.4Å; I57-I155 HydrophobicContact CG1-CG1 4.05Å; L84-I155 HydrophobicContact CD1-CD1 3.6Å; M147-I155 HydrophobicContact CE-CD1 3.44Å; M147-I155 VanDerWaalsContact CE-CD1 3.44Å; M147-I155 HydrophobicContact SD-CD1 3.72Å; L153-I155 VanDerWaalsContact C-N 3.32Å; L153-I155 HydrophobicContact CB-CD1 4.38Å; L153-I155 HydrophobicContact CB-CG1 4.17Å; L153-I155 PolarHBondContact O-N 2.88Å; I155-A157 PolarHBondContact O-N 2.61Å; I155-V160 HydrophobicContact CG2-CG2 4.04Å |
| 156 | N | 84.1 | Confident | 82 | Confident | 55 Ų | 55 | 63.5 Ų | 63.5 | 29% | 0.294 | 33% | 0.331 | S | S | . | . | trans | -69.4 | 95.2 | 168.4 | -178.2 | -11.5 | 0 | 0 | 0 | 108.9 | K56 L58 S158 S159 | K56-N156 HydrophobicContact CB-CB 4.45Å; K56-N156 PolarHBondContact O-N 2.7Å; L58-N156 HydrophobicContact CD1-CB 4.16Å; L58-N156 HydrophobicContact CD2-CB 4.21Å; L58-N156 HydrophobicContact CG-CB 4.14Å; N156-S158 PolarHBondContact O-N 3.42Å; N156-S158 VanDerWaalsContact O-N 3.07Å; N156-S158 WeakPolarHBondContact OD1-CB 3.27Å; N156-S158 PolarHBondContact OD1-N 2.83Å; N156-S158 VanDerWaalsContact OD1-N 3.08Å; N156-S159 WeakPolarHBondContact O-CB 3.11Å; N156-S159 PolarHBondContact O-N 3.47Å; N156-S159 PolarHBondContact O-OG 3.19Å | ||
| 157 | A | 81.1 | Confident | 81.4 | Confident | 8 Ų | 8 | 60.8 Ų | 60.8 | 7% | 0.066 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -58 | -25.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | M147 R148 I155 S159 | M147-A157 HydrophobicContact CB-CB 4.38Å; R148-A157 HydrophobicContact CG-CB 3.43Å; R148-A157 VanDerWaalsContact CG-CB 3.43Å; I155-A157 PolarHBondContact O-N 2.61Å; A157-S159 VanDerWaalsContact C-N 3.28Å |
| 158 | S | 81.1 | Confident | 80.7 | Confident | 99 Ų | 99 | 64.1 Ų | 64.1 | 69% | 0.692 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -76 | -17.1 | 176.8 | -50.2 | 0 | 0 | 0 | 0 | 112.9 | N156 | N156-S158 PolarHBondContact O-N 3.42Å; N156-S158 VanDerWaalsContact O-N 3.07Å; N156-S158 WeakPolarHBondContact OD1-CB 3.27Å; N156-S158 PolarHBondContact OD1-N 2.83Å; N156-S158 VanDerWaalsContact OD1-N 3.08Å |
| 159 | S | 82.8 | Confident | 80.5 | Confident | 26 Ų | 26 | 59 Ų | 59 | 18% | 0.182 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -86.6 | -9.4 | 177.4 | 74.6 | 0 | 0 | 0 | 0 | 113.9 | K56 N156 A157 Q161 | K56-S159 WeakPolarHBondContact CB-OG 3.44Å; K56-S159 PolarHBondContact N-OG 2.82Å; K56-S159 VanDerWaalsContact N-OG 3.11Å; N156-S159 WeakPolarHBondContact O-CB 3.11Å; N156-S159 PolarHBondContact O-N 3.47Å; N156-S159 PolarHBondContact O-OG 3.19Å; A157-S159 VanDerWaalsContact C-N 3.28Å; S159-Q161 PolarHBondContact O-N 2.87Å |
| 160 | V | 88.6 | Confident | 80.3 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.012 | 30% | 0.304 | C | S | . | . | trans | -72.4 | 118.6 | -171.9 | 173.6 | 0 | 0 | 0 | 0 | 110.4 | S54 F55 Q140 L143 N144 I155 V162 | S54-V160 WeakPolarHBondContact O-CA 3.2Å; F55-V160 HydrophobicContact CD1-CB 4.47Å; F55-V160 HydrophobicContact CD1-CG1 4.09Å; F55-V160 HydrophobicContact CD1-CG2 3.67Å; F55-V160 HydrophobicContact CE1-CG1 3.82Å; F55-V160 HydrophobicContact CE1-CG2 4.17Å; Q140-V160 PolarHBondContact NE2-O 3.07Å; Q140-V160 VanDerWaalsContact NE2-O 3.07Å; L143-V160 HydrophobicContact CB-CG1 4.2Å; N144-V160 WeakPolarHBondContact OD1-CB 3.45Å; N144-V160 VanDerWaalsContact OD1-CG1 3.24Å; N144-V160 WeakPolarHBondContact OD1-CG1 3.41Å; I155-V160 HydrophobicContact CG2-CG2 4.04Å; V160-V162 HydrophobicContact CG1-CG2 4.48Å | ||
| 161 | Q | 92.1 | Very high | 80 | Confident | 107 Ų | 107 | 55 Ų | 55 | 50% | 0.5 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 139.4 | 176.6 | -63.4 | -174.3 | -5.5 | 0 | 0 | 109.6 | G53 S54 S159 | G53-Q161 CarbonylContact C-O 3.59Å; G53-Q161 VanDerWaalsContact CA-O 3.25Å; G53-Q161 WeakPolarHBondContact CA-O 3.25Å; S54-Q161 PolarHBondContact N-O 2.97Å; S54-Q161 PolarHBondContact O-N 3.33Å; S54-Q161 VanDerWaalsContact O-N 3.11Å; S159-Q161 PolarHBondContact O-N 2.87Å |
| 162 | V | 92.8 | Very high | 80 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 122.8 | 176.3 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | Y51 H52 M122 E136 I139 Q140 L143 V160 | Y51-V162 HydrophobicContact CD1-CG1 4.04Å; Y51-V162 HydrophobicContact CG-CG1 4.4Å; H52-V162 CarbonylContact O-C 3.55Å; H52-V162 VanDerWaalsContact O-CA 3.31Å; H52-V162 WeakPolarHBondContact O-CA 3.27Å; M122-V162 HydrophobicContact CE-CG1 4.04Å; M122-V162 HydrophobicContact CE-CG2 4.18Å; E136-V162 VanDerWaalsContact CG-O 3.27Å; E136-V162 WeakPolarHBondContact CG-O 3.06Å; I139-V162 HydrophobicContact CG2-CG1 4.07Å; Q140-V162 HydrophobicContact CB-CB 3.99Å; Q140-V162 HydrophobicContact CB-CG2 3.99Å; Q140-V162 HydrophobicContact CG-CB 4.31Å; Q140-V162 HydrophobicContact CG-CG2 4.14Å; L143-V162 HydrophobicContact CD1-CG2 3.71Å; V160-V162 HydrophobicContact CG1-CG2 4.48Å |
| 163 | N | 92.7 | Very high | 79.8 | Confident | 82 Ų | 82 | 47 Ų | 47 | 44% | 0.439 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 130.3 | 179.2 | -62.6 | -33.9 | 0 | 0 | 0 | 109.8 | Y51 H52 | Y51-N163 WeakPolarHBondContact CA-O 3.34Å; H52-N163 PolarHBondContact N-O 2.8Å; H52-N163 PolarHBondContact O-N 3.26Å |
| 164 | A | 88.7 | Confident | 79.1 | Confident | 28 Ų | 28 | 47 Ų | 47 | 23% | 0.231 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 129.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y51 R132 E136 | Y51-A164 HydrophobicContact CD1-CB 3.82Å; Y51-A164 HydrophobicContact CE1-CB 3.65Å; R132-A164 HydrophobicContact CG-CB 4Å; E136-A164 HydrophobicContact CB-CB 4.47Å; E136-A164 HydrophobicContact CG-CB 4.46Å; E136-A164 WeakPolarHBondContact OE2-CB 3.35Å; E136-A164 PolarHBondContact OE2-N 2.83Å |
| 165 | M | 84.9 | Confident | 78.1 | Confident | 31 Ų | 31 | 46 Ų | 46 | 15% | 0.153 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 143.8 | -176.7 | -60 | -178.4 | 77.5 | 0 | 0 | 111.9 | Y50 H52 I121 R132 S167 T169 T173 | Y50-M165 PolarHBondContact O-N 3.36Å; H52-M165 HydrophobicContact CB-CG 3.88Å; H52-M165 HydrophobicContact CB-SD 3.75Å; I121-M165 HydrophobicContact CD1-CE 4.31Å; I121-M165 HydrophobicContact CD1-SD 3.42Å; I121-M165 WeakPolarHBondContact CD1-SD 3.42Å; R132-M165 PolarHBondContact NH1-O 3.29Å; R132-M165 VanDerWaalsContact NH2-N 3.2Å; R132-M165 PolarHBondContact NH2-O 3.37Å; M165-S167 PolarHBondContact O-N 3Å; M165-T169 HydrophobicContact CE-CG2 3.78Å; M165-T173 WeakPolarHBondContact CE-OG1 3.27Å |
| 166 | S | 82.8 | Confident | 77 | Confident | 51 Ų | 51 | 47.8 Ų | 47.8 | 36% | 0.357 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -50.9 | 142.3 | 171 | 91.2 | 0 | 0 | 0 | 0 | 110.5 | S168 T169 G170 | S166-S168 PolarHBondContact O-N 3.02Å; S166-S168 PolarHBondContact OG-OG 3.02Å; S166-S168 VanDerWaalsContact OG-OG 3.08Å; S166-T169 PolarHBondContact O-N 2.82Å; S166-T169 WeakPolarHBondContact OG-CB 3.18Å; S166-T169 PolarHBondContact OG-N 2.95Å; S166-T169 PolarHBondContact OG-OG1 2.91Å; S166-G170 PolarHBondContact O-N 3.2Å |
| 167 | S | 75.3 | Confident | 76.5 | Confident | 29 Ų | 29 | 46.1 Ų | 46.1 | 20% | 0.203 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56.2 | -37.6 | -176 | -65.2 | 0 | 0 | 0 | 0 | 111.4 | K47 M48 M165 E171 | K47-S167 VanDerWaalsContact CE-OG 3.31Å; K47-S167 WeakPolarHBondContact CE-OG 3.32Å; M48-S167 PolarHBondContact O-OG 2.58Å; M165-S167 PolarHBondContact O-N 3Å; S167-E171 WeakPolarHBondContact O-CB 3.48Å; S167-E171 PolarHBondContact O-N 3.31Å |
| 168 | S | 68.9 | Low | 76.8 | Confident | 74 Ų | 74 | 46.8 Ų | 46.8 | 52% | 0.517 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.8 | -43.7 | 174.9 | 53.5 | 0 | 0 | 0 | 0 | 112.6 | S166 L172 | S166-S168 PolarHBondContact O-N 3.02Å; S166-S168 PolarHBondContact OG-OG 3.02Å; S166-S168 VanDerWaalsContact OG-OG 3.08Å; S168-L172 WeakPolarHBondContact O-CB 3.45Å; S168-L172 WeakPolarHBondContact O-CD1 3.44Å; S168-L172 WeakPolarHBondContact O-CG 3.26Å; S168-L172 PolarHBondContact O-N 3.16Å |
| 169 | T | 74.5 | Confident | 77.2 | Confident | 69 Ų | 69 | 42.1 Ų | 42.1 | 42% | 0.423 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67 | -42.2 | 177.6 | -49.3 | 0 | 0 | 0 | 0 | 111.7 | M165 S166 L172 T173 | M165-T169 HydrophobicContact CE-CG2 3.78Å; S166-T169 PolarHBondContact O-N 2.82Å; S166-T169 WeakPolarHBondContact OG-CB 3.18Å; S166-T169 PolarHBondContact OG-N 2.95Å; S166-T169 PolarHBondContact OG-OG1 2.91Å; T169-L172 CarbonylContact O-C 3.34Å; T169-L172 PolarHBondContact O-N 2.72Å; T169-T173 WeakPolarHBondContact O-CB 3.49Å; T169-T173 PolarHBondContact O-N 3.02Å; T169-T173 PolarHBondContact O-OG1 3.47Å |
| 170 | G | 69.8 | Low | 77.4 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67.4 | -46.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y50 S166 T173 V174 | Y50-G170 VanDerWaalsContact CD1-C 3.43Å; S166-G170 PolarHBondContact O-N 3.2Å; G170-T173 PolarHBondContact O-N 3.33Å; G170-T173 VanDerWaalsContact O-N 3.15Å; G170-V174 WeakPolarHBondContact O-CG2 3.2Å; G170-V174 PolarHBondContact O-N 2.82Å |
| 171 | E | 65.6 | Low | 77 | Confident | 82 Ų | 82 | 44.1 Ų | 44.1 | 38% | 0.383 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.7 | -46.6 | 172.6 | -173.8 | 176.4 | -177.5 | 0 | 0 | 110.8 | Y50 S167 T173 V174 Q175 | Y50-E171 HydrophobicContact CE1-CB 4.4Å; Y50-E171 HydrophobicContact CE2-CB 4.01Å; S167-E171 WeakPolarHBondContact O-CB 3.48Å; S167-E171 PolarHBondContact O-N 3.31Å; E171-T173 VanDerWaalsContact C-N 3.31Å; E171-T173 PolarHBondContact O-N 3.23Å; E171-V174 PolarHBondContact O-N 2.79Å; E171-Q175 HydrophobicContact CG-CG 4.17Å; E171-Q175 VanDerWaalsContact CG-NE2 3.3Å; E171-Q175 WeakPolarHBondContact O-CB 3.19Å; E171-Q175 WeakPolarHBondContact O-CG 3.02Å; E171-Q175 PolarHBondContact O-N 3.3Å; E171-Q175 PolarHBondContact OE1-NE2 3.28Å |
| 172 | L | 63.9 | Low | 75.9 | Confident | 104 Ų | 104 | 43 Ų | 43 | 55% | 0.545 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.2 | -33.4 | 174.3 | -77.8 | 166.8 | 0 | 0 | 0 | 112.7 | S168 T169 Q175 A176 | S168-L172 WeakPolarHBondContact O-CB 3.45Å; S168-L172 WeakPolarHBondContact O-CD1 3.44Å; S168-L172 WeakPolarHBondContact O-CG 3.26Å; S168-L172 PolarHBondContact O-N 3.16Å; T169-L172 CarbonylContact O-C 3.34Å; T169-L172 PolarHBondContact O-N 2.72Å; L172-Q175 CarbonylContact O-C 3.56Å; L172-A176 VanDerWaalsContact O-CA 3.29Å; L172-A176 WeakPolarHBondContact O-CA 3.34Å; L172-A176 WeakPolarHBondContact O-CB 3.13Å; L172-A176 PolarHBondContact O-N 2.69Å |
| 173 | T | 67.1 | Low | 74.5 | Confident | 41 Ų | 41 | 43.8 Ų | 43.8 | 25% | 0.252 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -71.9 | -42.1 | 179 | -56.8 | 0 | 0 | 0 | 0 | 110.4 | V107 I121 M165 T169 G170 E171 A176 S177 | V107-T173 HydrophobicContact CG1-CG2 4.27Å; I121-T173 HydrophobicContact CD1-CG2 4.09Å; I121-T173 HydrophobicContact CG1-CG2 3.9Å; M165-T173 WeakPolarHBondContact CE-OG1 3.27Å; T169-T173 WeakPolarHBondContact O-CB 3.49Å; T169-T173 PolarHBondContact O-N 3.02Å; T169-T173 PolarHBondContact O-OG1 3.47Å; G170-T173 PolarHBondContact O-N 3.33Å; G170-T173 VanDerWaalsContact O-N 3.15Å; E171-T173 VanDerWaalsContact C-N 3.31Å; E171-T173 PolarHBondContact O-N 3.23Å; T173-A176 PolarHBondContact O-N 3.19Å; T173-S177 PolarHBondContact O-N 2.79Å |
| 174 | V | 62.7 | Low | 72.8 | Confident | 10 Ų | 10 | 44.1 Ų | 44.1 | 6% | 0.061 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.8 | -39.6 | 173.6 | 176.9 | 0 | 0 | 0 | 0 | 111.1 | Y50 I121 V123 G170 E171 S177 | Y50-V174 HydrophobicContact CD1-CG2 4.07Å; Y50-V174 HydrophobicContact CE1-CG2 4.04Å; I121-V174 HydrophobicContact CB-CG2 4.15Å; I121-V174 HydrophobicContact CG2-CG2 3.58Å; V123-V174 HydrophobicContact CG2-CG2 4.44Å; G170-V174 WeakPolarHBondContact O-CG2 3.2Å; G170-V174 PolarHBondContact O-N 2.82Å; E171-V174 PolarHBondContact O-N 2.79Å; V174-S177 WeakPolarHBondContact O-CB 3.32Å; V174-S177 PolarHBondContact O-N 2.75Å; V174-S177 PolarHBondContact O-OG 2.87Å |
| 175 | Q | 57.9 | Low | 71.4 | Confident | 52 Ų | 52 | 44.9 Ų | 44.9 | 24% | 0.243 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -76.2 | -26 | 176.7 | -75.9 | 177.7 | -3.2 | 0 | 0 | 113.1 | E171 L172 F287 | E171-Q175 HydrophobicContact CG-CG 4.17Å; E171-Q175 VanDerWaalsContact CG-NE2 3.3Å; E171-Q175 WeakPolarHBondContact O-CB 3.19Å; E171-Q175 WeakPolarHBondContact O-CG 3.02Å; E171-Q175 PolarHBondContact O-N 3.3Å; E171-Q175 PolarHBondContact OE1-NE2 3.28Å; L172-Q175 CarbonylContact O-C 3.56Å; Q175-F287 HydrophobicContact CB-CD2 3.91Å; Q175-F287 HydrophobicContact CG-CB 4.34Å; Q175-F287 HydrophobicContact CG-CD2 4.13Å |
| 176 | A | 59.4 | Low | 70 | Confident | 53 Ų | 53 | 50.4 Ų | 50.4 | 44% | 0.438 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -73.5 | -20.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | L172 T173 C178 R293 | L172-A176 VanDerWaalsContact O-CA 3.29Å; L172-A176 WeakPolarHBondContact O-CA 3.34Å; L172-A176 WeakPolarHBondContact O-CB 3.13Å; L172-A176 PolarHBondContact O-N 2.69Å; T173-A176 PolarHBondContact O-N 3.19Å; A176-C178 PolarHBondContact O-N 2.95Å; A176-R293 PolarHBondContact O-NH2 2.69Å |
| 177 | S | 74.9 | Confident | 68.1 | Low | 21 Ų | 21 | 51.5 Ų | 51.5 | 15% | 0.147 | 30% | 0.296 | C | S | . | . | trans | -66.8 | 110.2 | 169 | 76.7 | 0 | 0 | 0 | 0 | 109.8 | Q105 T173 V174 | Q105-S177 PolarHBondContact NE2-OG 3.41Å; T173-S177 PolarHBondContact O-N 2.79Å; V174-S177 WeakPolarHBondContact O-CB 3.32Å; V174-S177 PolarHBondContact O-N 2.75Å; V174-S177 PolarHBondContact O-OG 2.87Å | ||
| 178 | C | 87.1 | Confident | 66.2 | Low | 22 Ų | 22 | 56.7 Ų | 56.7 | 15% | 0.149 | 32% | 0.322 | C | S | . | . | trans | -87.8 | 166.7 | 176.5 | 54 | 0 | 0 | 0 | 0 | 110.6 | A176 K180 R293 C295 | A176-C178 PolarHBondContact O-N 2.95Å; C178-K180 PolarHBondContact O-N 3.48Å; C178-R293 CarbonylContact C-O 3.59Å; C178-R293 WeakPolarHBondContact CA-O 3.05Å; C178-R293 HydrophobicContact CB-CG 3.76Å; C178-C295 HydrophobicContact CB-CB 3.95Å; C178-C295 WeakPolarHBondContact CB-SG 3.26Å; C178-C295 PolarHBondContact O-SG 3.35Å; C178-C295 WeakPolarHBondContact SG-CA 3.19Å; C178-C295 WeakPolarHBondContact SG-CB 3.35Å; C178-C295 CovalentContact SG-SG 2.03Å; C178-C295 PolarHBondContact SG-SG 2.97Å | ||
| 179 | G | 89.4 | Confident | 64.6 | Low | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 34% | 0.344 | C | S | . | . | S | Bend | trans | 64.5 | 26.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | R293 T383 W384 | G179-R293 PolarHBondContact N-O 3.45Å; G179-T383 WeakPolarHBondContact O-CA 3.03Å; G179-W384 WeakPolarHBondContact CA-O 3.08Å; G179-W384 VanDerWaalsContact O-CD1 3.23Å; G179-W384 PolarHBondContact O-N 3.34Å |
| 180 | K | 85.6 | Confident | 62.9 | Low | 44 Ų | 44 | 68.1 Ų | 68.1 | 19% | 0.191 | 35% | 0.354 | C | S | . | . | trans | -106.1 | 138.5 | 176 | -62.3 | -60 | 172.2 | -168.8 | 0 | 110.5 | C178 P202 R292 K381 D382 T383 | C178-K180 PolarHBondContact O-N 3.48Å; K180-P202 WeakPolarHBondContact O-CG 3.45Å; K180-R292 WeakPolarHBondContact O-CD 3.43Å; K180-K381 PolarHBondContact NZ-O 2.86Å; K180-D382 PolarHBondContact NZ-O 2.82Å; K180-D382 VanDerWaalsContact NZ-O 3.07Å; K180-T383 PolarHBondContact NZ-OG1 2.75Å | ||
| 181 | R | 80.6 | Confident | 61.2 | Low | 27 Ų | 27 | 70.7 Ų | 70.7 | 10% | 0.102 | 38% | 0.375 | C | S | . | . | trans | -129.9 | 149.8 | 176.2 | 63.1 | -178.2 | -120.9 | 155.8 | 11.3 | 109.3 | A183 P184 L185 A200 P202 W203 | R181-A183 VanDerWaalsContact CZ-O 3.25Å; R181-A183 PolarHBondContact NE-O 3.3Å; R181-A183 PolarHBondContact NH2-O 2.86Å; R181-P184 PolarHBondContact NH2-O 2.9Å; R181-P184 VanDerWaalsContact NH2-O 3.16Å; R181-L185 VanDerWaalsContact CZ-CD2 3.41Å; R181-L185 VanDerWaalsContact NH2-CD2 3.28Å; R181-A200 WeakPolarHBondContact CD-O 3.47Å; R181-A200 PolarHBondContact NH1-O 2.94Å; R181-P202 HydrophobicContact CB-CG 4.35Å; R181-W203 HydrophobicContact CB-CH2 4.39Å | ||
| 182 | V | 68.9 | Low | 60.5 | Low | 84 Ų | 84 | 70.7 Ų | 70.7 | 51% | 0.509 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -95.8 | -25.6 | -178.5 | 179.5 | 0 | 0 | 0 | 0 | 111.7 | D289 | V182-D289 HydrophobicContact CB-CB 4.35Å; V182-D289 HydrophobicContact CG2-CB 3.63Å |
| 183 | A | 63.8 | Low | 60.3 | Low | 16 Ų | 16 | 66.5 Ų | 66.5 | 13% | 0.132 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -77.9 | 128.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R181 A200 | R181-A183 VanDerWaalsContact CZ-O 3.25Å; R181-A183 PolarHBondContact NE-O 3.3Å; R181-A183 PolarHBondContact NH2-O 2.86Å; A183-A200 HydrophobicContact CB-CB 4.23Å |
| 184 | P | 57.8 | Low | 60.9 | Low | 88 Ų | 88 | 67.2 Ų | 67.2 | 57% | 0.571 | 37% | 0.37 | S | S | * | . | trans | -62.6 | 147.7 | 172.1 | 23.8 | -31.7 | 0 | 0 | 0 | 111.4 | R181 H186 | R181-P184 PolarHBondContact NH2-O 2.9Å; R181-P184 VanDerWaalsContact NH2-O 3.16Å; P184-H186 PolarHBondContact O-N 2.9Å; P184-H186 VanDerWaalsContact O-N 3.14Å | ||
| 185 | L | 58.6 | Low | 62 | Low | 44 Ų | 44 | 71 Ų | 71 | 23% | 0.23 | 39% | 0.389 | C | S | . | . | trans | -72 | 103.9 | 175.1 | -83.4 | 171.6 | 0 | 0 | 0 | 109 | R181 V187 Y310 W384 | R181-L185 VanDerWaalsContact CZ-CD2 3.41Å; R181-L185 VanDerWaalsContact NH2-CD2 3.28Å; L185-V187 HydrophobicContact CB-CG2 3.86Å; L185-V187 PolarHBondContact O-N 3.45Å; L185-Y310 HydrophobicContact CD2-CE1 4.14Å; L185-W384 HydrophobicContact CD1-CH2 4.03Å; L185-W384 HydrophobicContact CD1-CZ2 3.75Å; L185-W384 HydrophobicContact CD2-CH2 4.05Å; L185-W384 HydrophobicContact CD2-CZ2 4.07Å; L185-W384 HydrophobicContact CG-CH2 4.47Å; L185-W384 HydrophobicContact CG-CZ2 4.08Å | ||
| 186 | H | 54.4 | Low | 63.2 | Low | 148 Ų | 148 | 68.7 Ų | 68.7 | 69% | 0.685 | 38% | 0.379 | S | S | * | . | trans | -86 | 83.1 | 170.7 | -73.2 | 13.7 | 0 | 0 | 0 | 109.2 | P184 N188 | P184-H186 PolarHBondContact O-N 2.9Å; P184-H186 VanDerWaalsContact O-N 3.14Å; H186-N188 VanDerWaalsContact C-N 3.32Å; H186-N188 PolarHBondContact O-N 3.47Å; H186-N188 VanDerWaalsContact O-N 3.11Å | ||
| 187 | V | 43.3 | Very low | 64.3 | Low | 73 Ų | 73 | 68.9 Ų | 68.9 | 44% | 0.442 | 38% | 0.376 | S | S | . | . | trans | -87.3 | 70 | -177.5 | -162.2 | 0 | 0 | 0 | 0 | 110.3 | L185 | L185-V187 HydrophobicContact CB-CG2 3.86Å; L185-V187 PolarHBondContact O-N 3.45Å | ||
| 188 | N | 35.6 | Very low | 64.6 | Low | 138 Ų | 138 | 74.6 Ų | 74.6 | 74% | 0.738 | 40% | 0.398 | S | S | * | . | trans | -89.1 | 130 | 160.7 | -77.4 | -20.5 | 0 | 0 | 0 | 108.9 | H186 I190 | H186-N188 VanDerWaalsContact C-N 3.32Å; H186-N188 PolarHBondContact O-N 3.47Å; H186-N188 VanDerWaalsContact O-N 3.11Å; N188-I190 HydrophobicContact CB-CD1 4.43Å; N188-I190 HydrophobicContact CB-CG1 4.46Å; N188-I190 PolarHBondContact O-N 3.3Å | ||
| 189 | R | 36.6 | Very low | 64.2 | Low | 258 Ų | 258 | 74.2 Ų | 74.2 | 97% | 0.974 | 40% | 0.396 | S | S | * | . | trans | -67.6 | 86 | -176.7 | -172.5 | -175.3 | 173.4 | -170.9 | -2.1 | 109.9 | ||||
| 190 | I | 38.7 | Very low | 64 | Low | 125 Ų | 125 | 74.2 Ų | 74.2 | 64% | 0.641 | 40% | 0.396 | S | S | * | . | trans | -134 | 135.6 | -179.4 | -54 | -175.7 | 0 | 0 | 0 | 110.3 | N188 | N188-I190 HydrophobicContact CB-CD1 4.43Å; N188-I190 HydrophobicContact CB-CG1 4.46Å; N188-I190 PolarHBondContact O-N 3.3Å | ||
| 191 | A | 33.2 | Very low | 64.4 | Low | 54 Ų | 54 | 72.5 Ų | 72.5 | 45% | 0.446 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -84 | 160.2 | -163.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y364 | A191-Y364 HydrophobicContact CB-CE1 4.17Å; A191-Y364 VanDerWaalsContact CB-OH 3.24Å; A191-Y364 WeakPolarHBondContact CB-OH 2.96Å |
| 192 | S | 50.3 | Low | 65.1 | Low | 83 Ų | 83 | 71.4 Ų | 71.4 | 58% | 0.58 | 39% | 0.385 | S | S | * | . | S | Bend | trans | 74.4 | 37.2 | 173.4 | -50.4 | 0 | 0 | 0 | 0 | 118.1 | R328 | S192-R328 PolarHBondContact O-NH1 2.83Š|
| 193 | G | 61.3 | Low | 66.5 | Low | 15 Ų | 15 | 67.4 Ų | 67.4 | 16% | 0.155 | 36% | 0.361 | C | S | . | . | trans | 59.2 | 103.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R328 E329 | G193-R328 PolarHBondContact O-NH1 2.71Å; G193-E329 CarbonylContact C-O 3.6Å; G193-E329 VanDerWaalsContact CA-O 3.24Å; G193-E329 WeakPolarHBondContact CA-O 3.08Å | ||
| 194 | V | 78.8 | Confident | 68.1 | Low | 57 Ų | 57 | 66.7 Ų | 66.7 | 35% | 0.345 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 157.2 | -174.2 | -62.1 | 0 | 0 | 0 | 0 | 111.4 | A196 R328 E329 | V194-A196 PolarHBondContact O-N 3.33Å; V194-R328 CarbonylContact O-C 3.46Å; V194-R328 WeakPolarHBondContact O-CA 3.24Å; V194-E329 HydrophobicContact CG2-CG 3.66Å; V194-E329 PolarHBondContact N-O 2.91Å; V194-E329 VanDerWaalsContact N-O 3.09Å; V194-E329 PolarHBondContact O-N 3.27Å |
| 195 | I | 85 | Confident | 70.1 | Confident | 89 Ų | 89 | 62.5 Ų | 62.5 | 46% | 0.456 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 122.7 | 168.9 | -65.6 | 165 | 0 | 0 | 0 | 107.6 | E326 | I195-E326 WeakPolarHBondContact CD1-OE2 3.34Å; I195-E326 HydrophobicContact CG2-CB 4.36Å |
| 196 | A | 83.6 | Confident | 72 | Confident | 3 Ų | 3 | 60.5 Ų | 60.5 | 3% | 0.025 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 132.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | V194 L327 E329 | V194-A196 PolarHBondContact O-N 3.33Å; A196-L327 HydrophobicContact CB-CB 4.15Å; A196-L327 HydrophobicContact CB-CD2 3.98Å; A196-L327 HydrophobicContact CB-CG 3.79Å; A196-L327 PolarHBondContact N-O 2.75Å; A196-E329 HydrophobicContact CB-CB 4.36Å; A196-E329 HydrophobicContact CB-CG 4.38Å |
| 197 | P | 82.6 | Confident | 74.1 | Confident | 58 Ų | 58 | 53.4 Ų | 53.4 | 38% | 0.377 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 151.7 | 172.6 | -22.5 | 32.4 | 0 | 0 | 0 | 111.4 | A199 A200 | P197-A199 PolarHBondContact O-N 3.48Å; P197-A200 HydrophobicContact CB-CB 4.21Å; P197-A200 HydrophobicContact CG-CB 4.43Å; P197-A200 WeakPolarHBondContact O-CB 3.46Å; P197-A200 PolarHBondContact O-N 3.05Å; P197-A200 VanDerWaalsContact O-N 3.12Å |
| 198 | K | 81 | Confident | 76.7 | Confident | 141 Ų | 141 | 50.1 Ų | 50.1 | 61% | 0.613 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 140 | 170.2 | -175.8 | 176 | 175.8 | -171.5 | 0 | 110.1 | A200 D290 | K198-A200 PolarHBondContact O-N 3.27Å; K198-A200 VanDerWaalsContact O-N 3.13Å; K198-D290 WeakPolarHBondContact CE-OD1 3.33Å; K198-D290 WeakPolarHBondContact CE-OD2 3.1Å; K198-D290 WeakPolarHBondContact CG-OD1 3.39Å; K198-D290 IonicContact NZ-OD2 2.74Å |
| 199 | A | 79.2 | Confident | 79.7 | Confident | 13 Ų | 13 | 45.4 Ų | 45.4 | 11% | 0.107 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 11.5 | -177 | 0 | 0 | 0 | 0 | 0 | 116.8 | P197 D290 | P197-A199 PolarHBondContact O-N 3.48Å; A199-D290 WeakPolarHBondContact CB-OD1 3.44Å; A199-D290 PolarHBondContact N-OD1 2.83Å |
| 200 | A | 85.5 | Confident | 82.5 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -70.9 | -34.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R181 A183 P197 K198 | R181-A200 WeakPolarHBondContact CD-O 3.47Å; R181-A200 PolarHBondContact NH1-O 2.94Å; A183-A200 HydrophobicContact CB-CB 4.23Å; P197-A200 HydrophobicContact CB-CB 4.21Å; P197-A200 HydrophobicContact CG-CB 4.43Å; P197-A200 WeakPolarHBondContact O-CB 3.46Å; P197-A200 PolarHBondContact O-N 3.05Å; P197-A200 VanDerWaalsContact O-N 3.12Å; K198-A200 PolarHBondContact O-N 3.27Å; K198-A200 VanDerWaalsContact O-N 3.13Å |
| 201 | W | 94.5 | Very high | 85.1 | Confident | 8 Ų | 8 | 36.4 Ų | 36.4 | 3% | 0.03 | 21% | 0.209 | C | C | . | . | trans | -135 | 67.9 | -175.3 | -51.7 | 106.3 | 0 | 0 | 0 | 111 | W203 Q204 Y310 T312 L327 E329 V376 W384 | W201-W203 AromaticContact CE3-CE2 3.99Å; W201-W203 AromaticContact CE3-CZ2 3.56Å; W201-W203 HydrophobicContact CE3-CZ2 3.56Å; W201-W203 AromaticContact CE3-NE1 3.93Å; W201-W203 AromaticContact CZ3-CZ2 3.97Å; W201-W203 HydrophobicContact CZ3-CZ2 3.97Å; W201-W203 PolarHBondContact O-N 3.15Å; W201-Q204 HydrophobicContact CB-CB 4.29Å; W201-Q204 WeakPolarHBondContact O-CB 3.28Å; W201-Q204 PolarHBondContact O-N 3.47Å; W201-Y310 VanDerWaalsContact CH2-CB 3.47Å; W201-Y310 AromaticContact CH2-CD1 3.8Å; W201-Y310 HydrophobicContact CH2-CD1 3.8Å; W201-Y310 HydrophobicContact CH2-CD2 4.29Å; W201-Y310 AromaticContact CH2-CG 3.6Å; W201-Y310 HydrophobicContact CH2-CG 3.6Å; W201-Y310 AromaticContact CZ2-CD1 3.96Å; W201-Y310 HydrophobicContact CZ2-CD1 3.96Å; W201-Y310 HydrophobicContact CZ2-CG 4.18Å; W201-T312 HydrophobicContact CB-CG2 4.27Å; W201-T312 VanDerWaalsContact CD1-CG2 3.43Å; W201-T312 HydrophobicContact CD2-CG2 3.54Å; W201-T312 HydrophobicContact CE3-CG2 4.29Å; W201-T312 HydrophobicContact CG-CG2 3.5Å; W201-T312 VanDerWaalsContact CG-CG2 3.5Å; W201-T312 HydrophobicContact CZ2-CG2 4.22Å; W201-L327 HydrophobicContact CB-CD2 4.19Å; W201-E329 HydrophobicContact CZ2-CB 4.35Å; W201-E329 PolarHBondContact NE1-OE2 2.95Å; W201-V376 HydrophobicContact CE3-CG2 4.07Å; W201-V376 HydrophobicContact CH2-CG2 4.25Å; W201-V376 HydrophobicContact CZ3-CG2 3.48Å; W201-V376 VanDerWaalsContact CZ3-CG2 3.48Å; W201-W384 HydrophobicContact CH2-CE3 4.37Å; W201-W384 AromaticContact CH2-CH2 3.52Å; W201-W384 HydrophobicContact CH2-CH2 3.52Å; W201-W384 HydrophobicContact CH2-CZ2 4.27Å; W201-W384 AromaticContact CH2-CZ3 3.61Å; W201-W384 HydrophobicContact CH2-CZ3 3.61Å; W201-W384 HydrophobicContact CZ3-CD2 4.27Å; W201-W384 AromaticContact CZ3-CE3 3.75Å; W201-W384 HydrophobicContact CZ3-CE3 3.75Å; W201-W384 AromaticContact CZ3-CH2 3.7Å; W201-W384 HydrophobicContact CZ3-CH2 3.7Å; W201-W384 HydrophobicContact CZ3-CZ2 4.24Å; W201-W384 AromaticContact CZ3-CZ3 3.45Å; W201-W384 HydrophobicContact CZ3-CZ3 3.45Å; W201-W384 VanDerWaalsContact CZ3-CZ3 3.45Å | ||
| 202 | P | 94.7 | Very high | 88.1 | Confident | 4 Ų | 4 | 39 Ų | 39 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -9 | -167.5 | 29.9 | -37.3 | 0 | 0 | 0 | 113.9 | K180 R181 D290 I291 R292 | K180-P202 WeakPolarHBondContact O-CG 3.45Å; R181-P202 HydrophobicContact CB-CG 4.35Å; P202-D290 WeakPolarHBondContact CA-O 3.43Å; P202-D290 WeakPolarHBondContact CB-O 3.46Å; P202-I291 CarbonylContact O-C 3.4Å; P202-I291 WeakPolarHBondContact O-CA 3.34Å; P202-R292 CarbonylContact C-O 3.6Å; P202-R292 HydrophobicContact CB-CB 4.01Å; P202-R292 HydrophobicContact CB-CG 4.26Å; P202-R292 HydrophobicContact CG-CB 4.01Å; P202-R292 HydrophobicContact CG-CG 4.42Å; P202-R292 PolarHBondContact O-N 2.91Å; P202-R292 VanDerWaalsContact O-O 3.12Å |
| 203 | W | 97.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -10.9 | 174 | 43.9 | 76.8 | 0 | 0 | 0 | 114 | R181 W201 T218 L219 R292 I294 W384 | R181-W203 HydrophobicContact CB-CH2 4.39Å; W201-W203 AromaticContact CE3-CE2 3.99Å; W201-W203 AromaticContact CE3-CZ2 3.56Å; W201-W203 HydrophobicContact CE3-CZ2 3.56Å; W201-W203 AromaticContact CE3-NE1 3.93Å; W201-W203 AromaticContact CZ3-CZ2 3.97Å; W201-W203 HydrophobicContact CZ3-CZ2 3.97Å; W201-W203 PolarHBondContact O-N 3.15Å; W203-T218 HydrophobicContact CB-CG2 4.07Å; W203-T218 HydrophobicContact CG-CG2 4.31Å; W203-T218 WeakPolarHBondContact O-CA 3.32Å; W203-L219 HydrophobicContact CB-CB 4.41Å; W203-L219 PolarHBondContact O-N 2.85Å; W203-R292 WeakPolarHBondContact CA-O 3.32Å; W203-R292 VanDerWaalsContact CB-O 3.32Å; W203-R292 WeakPolarHBondContact CB-O 3.32Å; W203-R292 PolarHBondContact N-O 2.78Å; W203-I294 HydrophobicContact CB-CB 3.84Å; W203-I294 HydrophobicContact CB-CG2 4.46Å; W203-I294 HydrophobicContact CD2-CB 3.82Å; W203-I294 HydrophobicContact CD2-CD1 3.86Å; W203-I294 HydrophobicContact CD2-CG1 3.96Å; W203-I294 HydrophobicContact CE3-CB 4.06Å; W203-I294 HydrophobicContact CE3-CG1 4.2Å; W203-I294 HydrophobicContact CG-CB 3.73Å; W203-I294 HydrophobicContact CG-CD1 4.02Å; W203-I294 HydrophobicContact CG-CG1 4.25Å; W203-I294 HydrophobicContact CZ2-CD1 4.15Å; W203-W384 HydrophobicContact CH2-CB 3.26Å; W203-W384 AromaticContact CH2-CD1 3.78Å; W203-W384 HydrophobicContact CH2-CD2 4.03Å; W203-W384 AromaticContact CH2-CG 3.37Å; W203-W384 HydrophobicContact CH2-CG 3.37Å; W203-W384 HydrophobicContact CZ2-CB 3.62Å; W203-W384 HydrophobicContact CZ2-CD2 4.1Å; W203-W384 HydrophobicContact CZ2-CE3 4.37Å; W203-W384 AromaticContact CZ2-CG 3.82Å; W203-W384 HydrophobicContact CZ2-CG 3.82Å; W203-W384 HydrophobicContact CZ3-CB 3.99Å; W203-W384 HydrophobicContact CZ3-CG 4.38Å |
| 204 | Q | 98.4 | Very high | 92 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.009 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 136.1 | 177.9 | 179.1 | 72.1 | 50.4 | 0 | 0 | 110.5 | W201 T312 F314 L327 | W201-Q204 HydrophobicContact CB-CB 4.29Å; W201-Q204 WeakPolarHBondContact O-CB 3.28Å; W201-Q204 PolarHBondContact O-N 3.47Å; Q204-T312 PolarHBondContact OE1-O 3.03Å; Q204-T312 VanDerWaalsContact OE1-O 3.11Å; Q204-T312 PolarHBondContact OE1-OG1 2.78Å; Q204-F314 HydrophobicContact CG-CE2 3.86Å; Q204-F314 HydrophobicContact CG-CZ 4.39Å; Q204-L327 HydrophobicContact CB-CD2 4.06Å; Q204-L327 HydrophobicContact CG-CD1 3.61Å; Q204-L327 HydrophobicContact CG-CD2 3.94Å; Q204-L327 HydrophobicContact CG-CG 4.44Å |
| 205 | A | 98.5 | Very high | 93 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 156.1 | 170 | 0 | 0 | 0 | 0 | 0 | 111.6 | G216 A217 L225 V243 S244 F245 | A205-G216 WeakPolarHBondContact O-CA 3.32Å; A205-A217 HydrophobicContact CB-CB 4.19Å; A205-A217 PolarHBondContact N-O 3.12Å; A205-A217 PolarHBondContact O-N 2.8Å; A205-L225 HydrophobicContact CB-CD2 3.47Å; A205-L225 VanDerWaalsContact CB-CD2 3.47Å; A205-V243 HydrophobicContact CB-CG1 3.69Å; A205-S244 CarbonylContact C-O 3.49Å; A205-S244 VanDerWaalsContact CA-O 3.32Å; A205-S244 WeakPolarHBondContact CA-O 3.29Å; A205-F245 HydrophobicContact CB-CD1 4Å; A205-F245 HydrophobicContact CB-CE1 3.84Å |
| 206 | S | 98.7 | Very high | 93.6 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.007 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 121.2 | 170.1 | 171.3 | 0 | 0 | 0 | 0 | 108.7 | H213 V243 S244 | S206-H213 PolarHBondContact OG-ND1 3.41Å; S206-V243 WeakPolarHBondContact O-CA 3.45Å; S206-S244 PolarHBondContact N-O 3.24Å; S206-S244 PolarHBondContact O-N 3.45Å |
| 207 | L | 98.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 123.3 | 168.5 | -70.2 | 174.9 | 0 | 0 | 0 | 109.3 | Q214 C215 A217 T227 F232 W241 V243 V279 | L207-Q214 PolarHBondContact O-N 2.82Å; L207-C215 HydrophobicContact CB-CB 4.33Å; L207-C215 WeakPolarHBondContact CB-O 3.34Å; L207-C215 HydrophobicContact CD1-CB 4.35Å; L207-C215 PolarHBondContact N-O 3.2Å; L207-C215 PolarHBondContact O-N 3.45Å; L207-A217 HydrophobicContact CD1-CB 3.81Å; L207-A217 HydrophobicContact CD2-CB 4.24Å; L207-A217 HydrophobicContact CG-CB 3.72Å; L207-T227 HydrophobicContact CD1-CG2 3.8Å; L207-F232 HydrophobicContact CD1-CZ 3.92Å; L207-W241 HydrophobicContact CB-CE3 4.19Å; L207-W241 HydrophobicContact CB-CZ3 3.91Å; L207-V243 HydrophobicContact CD2-CG2 3.82Å; L207-V279 HydrophobicContact CD1-CG2 4.43Å; L207-V279 HydrophobicContact CD2-CG1 4.49Å; L207-V279 HydrophobicContact CD2-CG2 4.45Å |
| 208 | Q | 98.4 | Very high | 95.1 | Very high | 4 Ų | 4 | 28.2 Ų | 28.2 | 2% | 0.019 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 129.2 | -176.5 | -58.8 | 172.8 | 15.9 | 0 | 0 | 110.1 | I212 W241 T242 S244 I249 K255 | Q208-I212 CarbonylContact C-O 3.44Å; Q208-I212 WeakPolarHBondContact CA-O 3.25Å; Q208-W241 CarbonylContact O-C 3.51Å; Q208-W241 WeakPolarHBondContact O-CA 3.32Å; Q208-T242 PolarHBondContact N-O 2.82Å; Q208-T242 PolarHBondContact O-N 3.35Å; Q208-S244 VanDerWaalsContact NE2-CB 3.31Å; Q208-S244 PolarHBondContact NE2-OG 3.21Å; Q208-I249 VanDerWaalsContact NE2-CG2 3.27Å; Q208-K255 VanDerWaalsContact OE1-NZ 3.11Å |
| 209 | Y | 97.8 | Very high | 95.9 | Very high | 39 Ų | 39 | 21.5 Ų | 21.5 | 15% | 0.153 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 125.7 | 168.8 | 178.8 | -94.3 | 0 | 0 | 0 | 108.4 | N211 I212 Y235 Q240 W241 | Y209-N211 PolarHBondContact O-N 3.19Å; Y209-N211 VanDerWaalsContact O-N 3.17Å; Y209-I212 PolarHBondContact N-O 3.41Å; Y209-I212 PolarHBondContact O-N 3.19Å; Y209-Y235 AromaticContact CD1-CD1 3.92Å; Y209-Y235 HydrophobicContact CD1-CD1 3.92Å; Y209-Y235 HydrophobicContact CD1-CD2 4.15Å; Y209-Y235 HydrophobicContact CD1-CE1 4.07Å; Y209-Y235 HydrophobicContact CD1-CE2 4.28Å; Y209-Y235 AromaticContact CD1-CG 3.96Å; Y209-Y235 HydrophobicContact CD1-CG 3.96Å; Y209-Y235 HydrophobicContact CD2-CD1 4.27Å; Y209-Y235 HydrophobicContact CD2-CD2 4.35Å; Y209-Y235 AromaticContact CD2-CG 3.82Å; Y209-Y235 HydrophobicContact CD2-CG 3.82Å; Y209-Y235 AromaticContact CE1-CD1 3.57Å; Y209-Y235 HydrophobicContact CE1-CD1 3.57Å; Y209-Y235 AromaticContact CE1-CE1 3.77Å; Y209-Y235 HydrophobicContact CE1-CE1 3.77Å; Y209-Y235 HydrophobicContact CE1-CG 4.03Å; Y209-Y235 AromaticContact CE2-CD1 3.94Å; Y209-Y235 HydrophobicContact CE2-CD1 3.94Å; Y209-Y235 AromaticContact CE2-CG 3.88Å; Y209-Y235 HydrophobicContact CE2-CG 3.88Å; Y209-Y235 HydrophobicContact CG-CD1 4.24Å; Y209-Y235 AromaticContact CG-CD2 3.99Å; Y209-Y235 HydrophobicContact CG-CD2 3.99Å; Y209-Y235 AromaticContact CG-CG 3.84Å; Y209-Y235 HydrophobicContact CG-CG 3.84Å; Y209-Y235 AromaticContact CZ-CD1 3.56Å; Y209-Y235 AromaticContact CZ-CG 3.98Å; Y209-Q240 HydrophobicContact CD2-CB 3.76Å; Y209-Q240 HydrophobicContact CE2-CB 3.41Å; Y209-Q240 VanDerWaalsContact CE2-CB 3.41Å; Y209-Q240 HydrophobicContact CE2-CG 4.21Å; Y209-Q240 PolarHBondContact OH-NE2 3.43Å; Y209-Q240 PolarHBondContact OH-OE1 2.91Å; Y209-W241 HydrophobicContact CD2-CD2 4.21Å; Y209-W241 AromaticContact CD2-CE2 3.91Å; Y209-W241 HydrophobicContact CD2-CG 4.4Å; Y209-W241 HydrophobicContact CD2-CZ2 4.43Å; Y209-W241 AromaticContact CD2-NE1 3.84Å |
| 210 | D | 95.3 | Very high | 96.8 | Very high | 82 Ų | 82 | 20.9 Ų | 20.9 | 44% | 0.439 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 41.7 | -175 | -65.4 | -28.6 | 0 | 0 | 0 | 112.7 | I212 Q240 | D210-I212 PolarHBondContact O-N 3.33Å; D210-Q240 PolarHBondContact N-O 2.87Å; D210-Q240 VanDerWaalsContact N-O 3.08Å; D210-Q240 PolarHBondContact OD1-NE2 3.36Å; D210-Q240 PolarHBondContact OD2-NE2 3Å |
| 211 | N | 93.1 | Very high | 97 | Very high | 112 Ų | 112 | 21.3 Ų | 21.3 | 60% | 0.599 | 11% | 0.108 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | 7.1 | -176.8 | -51.8 | -66.2 | 0 | 0 | 0 | 116.4 | Y209 K255 | Y209-N211 PolarHBondContact O-N 3.19Å; Y209-N211 VanDerWaalsContact O-N 3.17Å; N211-K255 PolarHBondContact OD1-NZ 2.9Å |
| 212 | I | 96.4 | Very high | 96.7 | Very high | 108 Ų | 108 | 23.7 Ų | 23.7 | 55% | 0.554 | 12% | 0.121 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 126.6 | 175.5 | -57.3 | 173 | 0 | 0 | 0 | 108.8 | Q208 Y209 D210 Q214 | Q208-I212 CarbonylContact C-O 3.44Å; Q208-I212 WeakPolarHBondContact CA-O 3.25Å; Y209-I212 PolarHBondContact N-O 3.41Å; Y209-I212 PolarHBondContact O-N 3.19Å; D210-I212 PolarHBondContact O-N 3.33Å; I212-Q214 PolarHBondContact O-N 2.98Å; I212-Q214 PolarHBondContact O-NE2 2.86Å |
| 213 | H | 97.5 | Very high | 96.6 | Very high | 14 Ų | 14 | 24.9 Ų | 24.9 | 7% | 0.065 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 130.2 | 175.5 | 173.4 | 70.6 | 0 | 0 | 0 | 111.5 | S206 C215 I249 G369 | S206-H213 PolarHBondContact OG-ND1 3.41Å; H213-C215 PolarHBondContact CE1-O 2.95Å; H213-C215 PolarHBondContact ND1-O 3.45Å; H213-I249 HydrophobicContact CB-CD1 3.69Å; H213-I249 HydrophobicContact CB-CG2 4.45Å; H213-G369 PolarHBondContact CE1-O 3.12Å; H213-G369 PolarHBondContact NE2-O 3.1Å |
| 214 | Q | 97.1 | Very high | 96.6 | Very high | 60 Ų | 60 | 25.7 Ų | 25.7 | 28% | 0.28 | 13% | 0.132 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | -42 | 178.1 | -59.6 | -58.9 | -49.1 | 0 | 0 | 111.7 | L207 I212 Y235 W241 | L207-Q214 PolarHBondContact O-N 2.82Å; I212-Q214 PolarHBondContact O-N 2.98Å; I212-Q214 PolarHBondContact O-NE2 2.86Å; Q214-Y235 HydrophobicContact CG-CE2 4.42Å; Q214-W241 HydrophobicContact CB-CH2 3.74Å; Q214-W241 HydrophobicContact CB-CZ3 3.84Å; Q214-W241 HydrophobicContact CG-CH2 3.8Å; Q214-W241 HydrophobicContact CG-CZ3 3.9Å |
| 215 | C | 98.4 | Very high | 96.6 | Very high | 4 Ų | 4 | 25.6 Ų | 25.6 | 3% | 0.027 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 160.2 | -173.7 | -79.6 | 0 | 0 | 0 | 0 | 111.4 | L207 H213 C231 S371 | L207-C215 HydrophobicContact CB-CB 4.33Å; L207-C215 WeakPolarHBondContact CB-O 3.34Å; L207-C215 HydrophobicContact CD1-CB 4.35Å; L207-C215 PolarHBondContact N-O 3.2Å; L207-C215 PolarHBondContact O-N 3.45Å; H213-C215 PolarHBondContact CE1-O 2.95Å; H213-C215 PolarHBondContact ND1-O 3.45Å; C215-C231 HydrophobicContact CB-CB 3.85Å; C215-C231 WeakPolarHBondContact CB-SG 3.22Å; C215-C231 WeakPolarHBondContact SG-CB 3.34Å; C215-C231 CovalentContact SG-SG 2.03Å; C215-C231 PolarHBondContact SG-SG 3.28Å; C215-S371 CarbonylContact C-O 3.44Å; C215-S371 WeakPolarHBondContact CA-O 3.17Å; C215-S371 WeakPolarHBondContact CB-O 3.28Å |
| 216 | G | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 165.4 | 159.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A205 T227 G369 S371 G372 | A205-G216 WeakPolarHBondContact O-CA 3.32Å; G216-T227 PolarHBondContact O-OG1 3.29Å; G216-G369 PolarHBondContact N-O 3.1Å; G216-S371 PolarHBondContact N-O 3.4Å; G216-G372 CarbonylContact C-O 3.52Å; G216-G372 CarbonylContact O-C 3.58Å; G216-G372 VanDerWaalsContact O-C 3.26Å |
| 217 | A | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 166.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | A205 L207 L225 G372 | A205-A217 HydrophobicContact CB-CB 4.19Å; A205-A217 PolarHBondContact N-O 3.12Å; A205-A217 PolarHBondContact O-N 2.8Å; L207-A217 HydrophobicContact CD1-CB 3.81Å; L207-A217 HydrophobicContact CD2-CB 4.24Å; L207-A217 HydrophobicContact CG-CB 3.72Å; A217-L225 HydrophobicContact CB-CB 4.26Å; A217-L225 HydrophobicContact CB-CD2 3.92Å; A217-G372 WeakPolarHBondContact CA-O 3.19Å |
| 218 | T | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 125.4 | -176.9 | -45 | 0 | 0 | 0 | 0 | 111.1 | W203 I220 L225 V226 I294 P374 L386 | W203-T218 HydrophobicContact CB-CG2 4.07Å; W203-T218 HydrophobicContact CG-CG2 4.31Å; W203-T218 WeakPolarHBondContact O-CA 3.32Å; T218-I220 PolarHBondContact O-N 2.75Å; T218-L225 CarbonylContact O-C 3.58Å; T218-L225 WeakPolarHBondContact O-CA 2.99Å; T218-L225 WeakPolarHBondContact O-CB 3.41Å; T218-V226 PolarHBondContact N-O 3.26Å; T218-V226 PolarHBondContact O-N 2.91Å; T218-I294 HydrophobicContact CG2-CB 4.29Å; T218-I294 HydrophobicContact CG2-CG2 3.54Å; T218-P374 HydrophobicContact CG2-CB 3.98Å; T218-P374 WeakPolarHBondContact OG1-CB 3.38Å; T218-L386 HydrophobicContact CG2-CD1 4.13Å; T218-L386 HydrophobicContact CG2-CD2 4.08Å |
| 219 | L | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 118.1 | 177.9 | -168.7 | 63.5 | 0 | 0 | 0 | 110.9 | W203 S221 L225 F245 V285 F287 I291 R293 I294 | W203-L219 HydrophobicContact CB-CB 4.41Å; W203-L219 PolarHBondContact O-N 2.85Å; L219-S221 WeakPolarHBondContact CD1-O 3.27Å; L219-S221 WeakPolarHBondContact CG-O 3.22Å; L219-L225 HydrophobicContact CD1-CD1 4.41Å; L219-L225 HydrophobicContact CD1-CD2 4.39Å; L219-L225 HydrophobicContact CD1-CG 3.99Å; L219-F245 HydrophobicContact CB-CE1 4.27Å; L219-F245 HydrophobicContact CD1-CE1 3.88Å; L219-F245 HydrophobicContact CD1-CZ 4.12Å; L219-F245 HydrophobicContact CD2-CD1 4.44Å; L219-F245 HydrophobicContact CD2-CE1 4Å; L219-F245 HydrophobicContact CG-CE1 4.29Å; L219-V285 HydrophobicContact CD1-CB 4.47Å; L219-V285 HydrophobicContact CD1-CG2 4.09Å; L219-V285 HydrophobicContact CD2-CG1 3.95Å; L219-F287 HydrophobicContact CD2-CD1 4.35Å; L219-F287 HydrophobicContact CD2-CE1 3.86Å; L219-F287 HydrophobicContact CG-CE1 4.46Å; L219-I291 HydrophobicContact CD2-CG2 3.78Å; L219-R293 CarbonylContact O-C 3.5Å; L219-R293 VanDerWaalsContact O-CA 3.22Å; L219-R293 WeakPolarHBondContact O-CA 3.35Å; L219-I294 PolarHBondContact O-N 2.85Å |
| 220 | I | 96.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | trans | -113.4 | -18 | -177.8 | 60.1 | 173.3 | 0 | 0 | 0 | 112.8 | T218 W224 V226 R293 I294 L296 I415 L421 | T218-I220 PolarHBondContact O-N 2.75Å; I220-W224 HydrophobicContact CD1-CB 4.13Å; I220-W224 HydrophobicContact CG1-CB 3.89Å; I220-W224 VanDerWaalsContact CG1-O 3.25Å; I220-W224 WeakPolarHBondContact CG1-O 3.38Å; I220-W224 PolarHBondContact N-O 3.03Å; I220-V226 HydrophobicContact CD1-CB 4.26Å; I220-V226 HydrophobicContact CG2-CB 4.39Å; I220-V226 HydrophobicContact CG2-CG1 3.74Å; I220-R293 PolarHBondContact O-NH1 3.46Å; I220-I294 HydrophobicContact CG2-CG2 4.15Å; I220-L296 HydrophobicContact CB-CD1 4.39Å; I220-L296 HydrophobicContact CD1-CD1 4.4Å; I220-L296 HydrophobicContact CG2-CD1 4.5Å; I220-L296 HydrophobicContact CG2-CD2 3.92Å; I220-L296 HydrophobicContact CG2-CG 4.28Å; I220-I415 HydrophobicContact CD1-CG2 4.03Å; I220-L421 HydrophobicContact CB-CD1 4.4Å; I220-L421 HydrophobicContact CD1-CD1 3.85Å; I220-L421 HydrophobicContact CG1-CD1 3.84Å | ||
| 221 | S | 90.6 | Very high | 96.7 | Very high | 9 Ų | 9 | 22.2 Ų | 22.2 | 6% | 0.063 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -150.3 | -176.2 | 167.2 | 74 | 0 | 0 | 0 | 0 | 110.8 | L219 T223 W224 | L219-S221 WeakPolarHBondContact CD1-O 3.27Å; L219-S221 WeakPolarHBondContact CG-O 3.22Å; S221-T223 PolarHBondContact O-N 3.31Å; S221-T223 PolarHBondContact OG-N 3.29Å; S221-W224 PolarHBondContact N-O 2.81Å; S221-W224 VanDerWaalsContact N-O 3.15Å; S221-W224 WeakPolarHBondContact OG-CB 3.25Å; S221-W224 PolarHBondContact OG-N 3.19Å |
| 222 | N | 88.5 | Confident | 96.9 | Very high | 57 Ų | 57 | 17.1 Ų | 17.1 | 31% | 0.305 | 9% | 0.088 | S | C | . | . | S | Bend | trans | -72.5 | -3.9 | 174.8 | 65.5 | 0.6 | 0 | 0 | 0 | 113.7 | R284 V285 F287 | N222-R284 CarbonylContact O-C 3.5Å; N222-R284 VanDerWaalsContact O-CA 3.28Å; N222-R284 WeakPolarHBondContact O-CA 3.5Å; N222-V285 PolarHBondContact O-N 3.09Å; N222-F287 HydrophobicContact CB-CE1 4.06Å; N222-F287 HydrophobicContact CB-CE2 4.4Å; N222-F287 HydrophobicContact CB-CZ 3.79Å |
| 223 | T | 92.2 | Very high | 96.6 | Very high | 30 Ų | 30 | 15.7 Ų | 15.7 | 18% | 0.184 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -133.5 | -11.5 | 179.2 | 50 | 0 | 0 | 0 | 0 | 114.3 | S221 Q280 V281 R284 | S221-T223 PolarHBondContact O-N 3.31Å; S221-T223 PolarHBondContact OG-N 3.29Å; T223-Q280 WeakPolarHBondContact O-CA 3.42Å; T223-V281 WeakPolarHBondContact O-CG2 3.46Å; T223-V281 PolarHBondContact O-N 2.91Å; T223-R284 HydrophobicContact CG2-CB 4.47Å; T223-R284 HydrophobicContact CG2-CG 3.63Å |
| 224 | W | 98 | Very high | 96.3 | Very high | 16 Ų | 16 | 24.8 Ų | 24.8 | 6% | 0.061 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 139.7 | -174.6 | -67.9 | 103 | 0 | 0 | 0 | 111.9 | I220 S221 I262 V278 V279 Q280 T419 L421 | I220-W224 HydrophobicContact CD1-CB 4.13Å; I220-W224 HydrophobicContact CG1-CB 3.89Å; I220-W224 VanDerWaalsContact CG1-O 3.25Å; I220-W224 WeakPolarHBondContact CG1-O 3.38Å; I220-W224 PolarHBondContact N-O 3.03Å; S221-W224 PolarHBondContact N-O 2.81Å; S221-W224 VanDerWaalsContact N-O 3.15Å; S221-W224 WeakPolarHBondContact OG-CB 3.25Å; S221-W224 PolarHBondContact OG-N 3.19Å; W224-I262 HydrophobicContact CH2-CD1 3.98Å; W224-I262 HydrophobicContact CZ3-CD1 4.28Å; W224-V278 HydrophobicContact CE3-CB 4.05Å; W224-V278 HydrophobicContact CE3-CG2 4.16Å; W224-V278 HydrophobicContact CZ3-CB 4.13Å; W224-V278 HydrophobicContact CZ3-CG2 3.75Å; W224-V279 CarbonylContact C-O 3.58Å; W224-V279 WeakPolarHBondContact CA-O 3.44Å; W224-Q280 HydrophobicContact CD2-CB 4.23Å; W224-Q280 HydrophobicContact CD2-CG 4.16Å; W224-Q280 HydrophobicContact CE3-CB 3.8Å; W224-Q280 HydrophobicContact CE3-CG 4.24Å; W224-Q280 HydrophobicContact CH2-CB 3.81Å; W224-Q280 HydrophobicContact CH2-CG 4.11Å; W224-Q280 HydrophobicContact CZ2-CB 4.22Å; W224-Q280 HydrophobicContact CZ2-CG 4Å; W224-Q280 HydrophobicContact CZ3-CB 3.58Å; W224-Q280 HydrophobicContact CZ3-CG 4.23Å; W224-T419 HydrophobicContact CB-CG2 4.38Å; W224-T419 HydrophobicContact CD2-CG2 3.67Å; W224-T419 HydrophobicContact CE3-CG2 3.75Å; W224-T419 HydrophobicContact CG-CG2 3.97Å; W224-T419 HydrophobicContact CZ2-CG2 4.48Å; W224-T419 HydrophobicContact CZ3-CG2 4.18Å; W224-L421 HydrophobicContact CB-CD1 4.25Å |
| 225 | L | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 159.6 | 165.9 | -56.4 | 93.8 | 0 | 0 | 0 | 109.9 | A205 A217 T218 L219 V243 F245 V278 V279 V281 | A205-L225 HydrophobicContact CB-CD2 3.47Å; A205-L225 VanDerWaalsContact CB-CD2 3.47Å; A217-L225 HydrophobicContact CB-CB 4.26Å; A217-L225 HydrophobicContact CB-CD2 3.92Å; T218-L225 CarbonylContact O-C 3.58Å; T218-L225 WeakPolarHBondContact O-CA 2.99Å; T218-L225 WeakPolarHBondContact O-CB 3.41Å; L219-L225 HydrophobicContact CD1-CD1 4.41Å; L219-L225 HydrophobicContact CD1-CD2 4.39Å; L219-L225 HydrophobicContact CD1-CG 3.99Å; L225-V243 HydrophobicContact CD1-CG1 4.23Å; L225-V243 HydrophobicContact CD1-CG2 4.32Å; L225-V243 HydrophobicContact CD2-CG1 3.6Å; L225-F245 HydrophobicContact CD2-CE1 3.95Å; L225-F245 HydrophobicContact CD2-CZ 4.11Å; L225-V278 CarbonylContact O-C 3.26Å; L225-V278 VanDerWaalsContact O-CA 3.26Å; L225-V278 WeakPolarHBondContact O-CA 3.43Å; L225-V279 HydrophobicContact CB-CB 4.31Å; L225-V279 PolarHBondContact N-O 3.13Å; L225-V279 PolarHBondContact O-N 3.35Å; L225-V281 HydrophobicContact CD1-CG1 3.7Å |
| 226 | V | 98.9 | Very high | 96 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 146.3 | 167.1 | 67.9 | 0 | 0 | 0 | 0 | 109.8 | T218 I220 I276 A277 V278 L386 I389 I415 | T218-V226 PolarHBondContact N-O 3.26Å; T218-V226 PolarHBondContact O-N 2.91Å; I220-V226 HydrophobicContact CD1-CB 4.26Å; I220-V226 HydrophobicContact CG2-CB 4.39Å; I220-V226 HydrophobicContact CG2-CG1 3.74Å; V226-I276 HydrophobicContact CG2-CD1 3.93Å; V226-I276 HydrophobicContact CG2-CG1 3.83Å; V226-A277 WeakPolarHBondContact CA-O 3.37Å; V226-A277 WeakPolarHBondContact CG2-O 3.32Å; V226-V278 HydrophobicContact CB-CG1 4.44Å; V226-V278 HydrophobicContact CG2-CG1 4.28Å; V226-L386 HydrophobicContact CG1-CD2 3.25Å; V226-I389 HydrophobicContact CG1-CD1 4.47Å; V226-I389 HydrophobicContact CG2-CD1 3.61Å; V226-I415 HydrophobicContact CG2-CD1 4.4Å |
| 227 | T | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | -173.8 | -177.3 | -172.3 | 0 | 0 | 0 | 0 | 109.3 | L207 G216 F232 I276 A277 V279 G372 | L207-T227 HydrophobicContact CD1-CG2 3.8Å; G216-T227 PolarHBondContact O-OG1 3.29Å; T227-F232 HydrophobicContact CG2-CE2 3.49Å; T227-F232 VanDerWaalsContact CG2-CE2 3.49Å; T227-F232 HydrophobicContact CG2-CZ 3.9Å; T227-I276 WeakPolarHBondContact O-CA 3.42Å; T227-A277 HydrophobicContact CG2-CB 4.07Å; T227-A277 PolarHBondContact N-O 2.87Å; T227-A277 PolarHBondContact O-N 2.87Å; T227-A277 VanDerWaalsContact O-O 3.13Å; T227-V279 HydrophobicContact CG2-CG2 3.78Å; T227-G372 VanDerWaalsContact OG1-CA 3.32Å; T227-G372 WeakPolarHBondContact OG1-CA 3.24Å |
| 228 | A | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -84 | 147.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | H230 C231 I389 | A228-H230 WeakPolarHBondContact CB-ND1 3.42Å; A228-C231 WeakPolarHBondContact O-CB 3.27Å; A228-I389 HydrophobicContact CB-CG2 4.26Å | ||
| 229 | A | 98.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -68.1 | -36.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | C231 F232 V263 Y267 D275 | A229-C231 PolarHBondContact O-N 3.01Å; A229-C231 VanDerWaalsContact O-N 3.1Å; A229-F232 PolarHBondContact O-N 3.4Å; A229-F232 VanDerWaalsContact O-N 3.07Å; A229-V263 HydrophobicContact CB-CG1 3.68Å; A229-Y267 HydrophobicContact CB-CD1 3.5Å; A229-Y267 VanDerWaalsContact CB-CD1 3.5Å; A229-Y267 HydrophobicContact CB-CD2 3.54Å; A229-Y267 HydrophobicContact CB-CE1 3.75Å; A229-Y267 HydrophobicContact CB-CE2 3.86Å; A229-Y267 HydrophobicContact CB-CG 3.38Å; A229-D275 WeakPolarHBondContact CA-OD1 3.41Å; A229-D275 WeakPolarHBondContact CB-OD1 3.27Å; A229-D275 PolarHBondContact N-OD1 3.11Å |
| 230 | H | 97.1 | Very high | 95.6 | Very high | 46 Ų | 46 | 46.2 Ų | 46.2 | 21% | 0.213 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -59.9 | -25 | -176.9 | 73.7 | -105.7 | 0 | 0 | 0 | 113.3 | A228 F232 Q233 Y267 D275 S371 S391 | A228-H230 WeakPolarHBondContact CB-ND1 3.42Å; H230-F232 PolarHBondContact O-N 2.84Å; H230-F232 VanDerWaalsContact O-N 3.12Å; H230-Q233 PolarHBondContact O-N 2.9Å; H230-Y267 WeakPolarHBondContact CA-OH 3.39Å; H230-Y267 WeakPolarHBondContact CB-OH 3.19Å; H230-D275 IonicContact CE1-OD2 2.76Å; H230-D275 PolarHBondContact CE1-OD2 3.19Å; H230-D275 IonicContact CG-OD1 3.49Å; H230-D275 IonicContact CG-OD2 3.02Å; H230-D275 PolarHBondContact N-OD1 3.01Å; H230-D275 IonicContact ND1-OD1 3.87Å; H230-D275 PolarHBondContact ND1-OD1 2.83Å; H230-D275 IonicContact ND1-OD2 3.37Å; H230-D275 PolarHBondContact ND1-OD2 3.4Å; H230-S371 PolarHBondContact CE1-OG 3.01Å; H230-S371 WeakPolarHBondContact NE2-CB 3.42Å; H230-S371 PolarHBondContact NE2-OG 3.22Å; H230-S391 PolarHBondContact CE1-O 3.15Å |
| 231 | C | 97.3 | Very high | 95.6 | Very high | 9 Ų | 9 | 46.2 Ų | 46.2 | 6% | 0.061 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -57 | -26.8 | 175.7 | -63.3 | 0 | 0 | 0 | 0 | 113.5 | C215 A228 A229 W241 | C215-C231 HydrophobicContact CB-CB 3.85Å; C215-C231 WeakPolarHBondContact CB-SG 3.22Å; C215-C231 WeakPolarHBondContact SG-CB 3.34Å; C215-C231 CovalentContact SG-SG 2.03Å; C215-C231 PolarHBondContact SG-SG 3.28Å; A228-C231 WeakPolarHBondContact O-CB 3.27Å; A229-C231 PolarHBondContact O-N 3.01Å; A229-C231 VanDerWaalsContact O-N 3.1Å; C231-W241 WeakPolarHBondContact O-CH2 3.24Å; C231-W241 WeakPolarHBondContact O-CZ2 3.38Å |
| 232 | F | 96.9 | Very high | 96 | Very high | 5 Ų | 5 | 46.4 Ų | 46.4 | 2% | 0.022 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -105.7 | 5.4 | -175.8 | -56.4 | -66.3 | 0 | 0 | 0 | 114.3 | L207 T227 A229 H230 W241 F261 V263 A277 V279 | L207-F232 HydrophobicContact CD1-CZ 3.92Å; T227-F232 HydrophobicContact CG2-CE2 3.49Å; T227-F232 VanDerWaalsContact CG2-CE2 3.49Å; T227-F232 HydrophobicContact CG2-CZ 3.9Å; A229-F232 PolarHBondContact O-N 3.4Å; A229-F232 VanDerWaalsContact O-N 3.07Å; H230-F232 PolarHBondContact O-N 2.84Å; H230-F232 VanDerWaalsContact O-N 3.12Å; F232-W241 HydrophobicContact CD1-CD2 4.44Å; F232-W241 AromaticContact CD1-CE2 3.79Å; F232-W241 HydrophobicContact CD1-CH2 4.48Å; F232-W241 AromaticContact CD1-CZ2 3.79Å; F232-W241 HydrophobicContact CD1-CZ2 3.79Å; F232-W241 AromaticContact CD1-NE1 3.9Å; F232-W241 HydrophobicContact CE1-CD2 4.09Å; F232-W241 AromaticContact CE1-CE2 3.9Å; F232-W241 HydrophobicContact CE1-CE3 4.44Å; F232-W241 HydrophobicContact CE1-CG 4.48Å; F232-W241 HydrophobicContact CE1-CH2 4.41Å; F232-W241 HydrophobicContact CE1-CZ2 4.04Å; F232-F261 HydrophobicContact CB-CD2 3.99Å; F232-F261 HydrophobicContact CB-CE2 3.65Å; F232-F261 HydrophobicContact CB-CZ 4.05Å; F232-F261 AromaticContact CD1-CD1 3.72Å; F232-F261 HydrophobicContact CD1-CD1 3.72Å; F232-F261 AromaticContact CD1-CD2 3.97Å; F232-F261 HydrophobicContact CD1-CD2 3.97Å; F232-F261 AromaticContact CD1-CE1 3.82Å; F232-F261 HydrophobicContact CD1-CE1 3.82Å; F232-F261 HydrophobicContact CD1-CE2 4.08Å; F232-F261 AromaticContact CD1-CG 3.79Å; F232-F261 HydrophobicContact CD1-CG 3.79Å; F232-F261 HydrophobicContact CD1-CZ 4Å; F232-F261 HydrophobicContact CD2-CB 4.4Å; F232-F261 AromaticContact CD2-CD2 3.91Å; F232-F261 HydrophobicContact CD2-CD2 3.91Å; F232-F261 HydrophobicContact CD2-CE2 4.45Å; F232-F261 HydrophobicContact CD2-CG 4.15Å; F232-F261 HydrophobicContact CE1-CB 4.22Å; F232-F261 AromaticContact CE1-CD1 3.8Å; F232-F261 HydrophobicContact CE1-CD1 3.8Å; F232-F261 HydrophobicContact CE1-CD2 4.48Å; F232-F261 HydrophobicContact CE1-CE1 4.31Å; F232-F261 AromaticContact CE1-CG 3.9Å; F232-F261 HydrophobicContact CE1-CG 3.9Å; F232-F261 HydrophobicContact CE2-CB 4.05Å; F232-F261 HydrophobicContact CE2-CD2 4.41Å; F232-F261 HydrophobicContact CE2-CG 4.22Å; F232-F261 HydrophobicContact CG-CD1 4.29Å; F232-F261 AromaticContact CG-CD2 3.67Å; F232-F261 HydrophobicContact CG-CD2 3.67Å; F232-F261 HydrophobicContact CG-CE1 4.4Å; F232-F261 AromaticContact CG-CE2 3.8Å; F232-F261 HydrophobicContact CG-CE2 3.8Å; F232-F261 AromaticContact CG-CG 3.93Å; F232-F261 HydrophobicContact CG-CG 3.93Å; F232-F261 HydrophobicContact CG-CZ 4.17Å; F232-F261 HydrophobicContact CZ-CB 3.98Å; F232-F261 HydrophobicContact CZ-CD1 4.42Å; F232-F261 HydrophobicContact CZ-CG 4.12Å; F232-V263 HydrophobicContact CB-CG2 4.09Å; F232-V263 HydrophobicContact CD2-CG2 4.08Å; F232-V263 HydrophobicContact CG-CG2 4.5Å; F232-A277 HydrophobicContact CD2-CB 3.87Å; F232-A277 HydrophobicContact CE2-CB 3.74Å; F232-V279 HydrophobicContact CE2-CG2 3.98Å; F232-V279 HydrophobicContact CZ-CG2 3.53Å |
| 233 | Q | 91.3 | Very high | 96.5 | Very high | 77 Ų | 77 | 43.7 Ų | 43.7 | 36% | 0.36 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -63.9 | -47.1 | -177.8 | -78.1 | -177.9 | -30 | 0 | 0 | 113 | H230 K236 Y267 S269 | H230-Q233 PolarHBondContact O-N 2.9Å; Q233-K236 VanDerWaalsContact O-CE 3.3Å; Q233-K236 WeakPolarHBondContact O-CE 3.47Å; Q233-Y267 HydrophobicContact CG-CE1 3.74Å; Q233-Y267 VanDerWaalsContact NE2-CZ 3.27Å; Q233-Y267 PolarHBondContact NE2-OH 3.48Å; Q233-S269 PolarHBondContact NE2-OG 2.91Å |
| 234 | R | 90.9 | Very high | 96.8 | Very high | 205 Ų | 205 | 42.4 Ų | 42.4 | 77% | 0.774 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -82.4 | -40.2 | -177.1 | -172.3 | 175.7 | 178.2 | 177.1 | -1 | 112.1 | ||
| 235 | Y | 93.8 | Very high | 96.8 | Very high | 49 Ų | 49 | 41.7 Ų | 41.7 | 19% | 0.192 | 19% | 0.188 | C | C | . | . | trans | -115.1 | 96.2 | -171 | -53.6 | -56.9 | 0 | 0 | 0 | 111.1 | Y209 Q214 W241 | Y209-Y235 AromaticContact CD1-CD1 3.92Å; Y209-Y235 HydrophobicContact CD1-CD1 3.92Å; Y209-Y235 HydrophobicContact CD1-CD2 4.15Å; Y209-Y235 HydrophobicContact CD1-CE1 4.07Å; Y209-Y235 HydrophobicContact CD1-CE2 4.28Å; Y209-Y235 AromaticContact CD1-CG 3.96Å; Y209-Y235 HydrophobicContact CD1-CG 3.96Å; Y209-Y235 HydrophobicContact CD2-CD1 4.27Å; Y209-Y235 HydrophobicContact CD2-CD2 4.35Å; Y209-Y235 AromaticContact CD2-CG 3.82Å; Y209-Y235 HydrophobicContact CD2-CG 3.82Å; Y209-Y235 AromaticContact CE1-CD1 3.57Å; Y209-Y235 HydrophobicContact CE1-CD1 3.57Å; Y209-Y235 AromaticContact CE1-CE1 3.77Å; Y209-Y235 HydrophobicContact CE1-CE1 3.77Å; Y209-Y235 HydrophobicContact CE1-CG 4.03Å; Y209-Y235 AromaticContact CE2-CD1 3.94Å; Y209-Y235 HydrophobicContact CE2-CD1 3.94Å; Y209-Y235 AromaticContact CE2-CG 3.88Å; Y209-Y235 HydrophobicContact CE2-CG 3.88Å; Y209-Y235 HydrophobicContact CG-CD1 4.24Å; Y209-Y235 AromaticContact CG-CD2 3.99Å; Y209-Y235 HydrophobicContact CG-CD2 3.99Å; Y209-Y235 AromaticContact CG-CG 3.84Å; Y209-Y235 HydrophobicContact CG-CG 3.84Å; Y209-Y235 AromaticContact CZ-CD1 3.56Å; Y209-Y235 AromaticContact CZ-CG 3.98Å; Q214-Y235 HydrophobicContact CG-CE2 4.42Å; Y235-W241 HydrophobicContact CD2-CH2 4.45Å; Y235-W241 HydrophobicContact CD2-CZ2 4.09Å; Y235-W241 HydrophobicContact CG-CZ2 4.4Å; Y235-W241 PolarHBondContact O-NE1 3.19Å | ||
| 236 | K | 94.6 | Very high | 96.6 | Very high | 158 Ų | 158 | 42.3 Ų | 42.3 | 69% | 0.687 | 20% | 0.195 | S | C | * | . | trans | -95.5 | -10.7 | -168.5 | -62.4 | -175.3 | -179.8 | -178.1 | 0 | 115.2 | Q233 P238 F261 | Q233-K236 VanDerWaalsContact O-CE 3.3Å; Q233-K236 WeakPolarHBondContact O-CE 3.47Å; K236-P238 VanDerWaalsContact O-CD 3.31Å; K236-P238 WeakPolarHBondContact O-CD 3.2Å; K236-F261 VanDerWaalsContact O-CZ 3.27Å; K236-F261 WeakPolarHBondContact O-CZ 3.46Å | ||
| 237 | N | 96.6 | Very high | 96.3 | Very high | 67 Ų | 67 | 44.1 Ų | 44.1 | 36% | 0.358 | 21% | 0.206 | S | C | . | . | trans | -86.5 | 110.3 | -177.3 | -179.5 | 5 | 0 | 0 | 0 | 111.1 | H239 Q240 | N237-H239 PolarHBondContact O-N 3.41Å; N237-H239 PolarHBondContact OD1-CD2 3.46Å; N237-H239 PolarHBondContact OD1-N 2.9Å; N237-H239 VanDerWaalsContact OD1-N 3.12Å; N237-Q240 PolarHBondContact ND2-OE1 3.2Å; N237-Q240 VanDerWaalsContact ND2-OE1 3.09Å; N237-Q240 PolarHBondContact O-N 3.5Å | ||
| 238 | P | 96.2 | Very high | 96.2 | Very high | 30 Ų | 30 | 48 Ų | 48 | 20% | 0.195 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -62 | -26.5 | -177.8 | 26.3 | -35 | 0 | 0 | 0 | 113.5 | K236 Q240 W241 V258 F261 | K236-P238 VanDerWaalsContact O-CD 3.31Å; K236-P238 WeakPolarHBondContact O-CD 3.2Å; P238-Q240 PolarHBondContact O-N 3.07Å; P238-W241 WeakPolarHBondContact O-CB 3.18Å; P238-W241 PolarHBondContact O-N 3.47Å; P238-V258 HydrophobicContact CB-CG1 4.07Å; P238-F261 HydrophobicContact CB-CD1 4.16Å; P238-F261 HydrophobicContact CB-CE1 4.06Å |
| 239 | H | 95.3 | Very high | 96 | Very high | 150 Ų | 150 | 48.8 Ų | 48.8 | 69% | 0.694 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -70.4 | -16.9 | -176.8 | -62.4 | -60.7 | 0 | 0 | 0 | 114.2 | N237 | N237-H239 PolarHBondContact O-N 3.41Å; N237-H239 PolarHBondContact OD1-CD2 3.46Å; N237-H239 PolarHBondContact OD1-N 2.9Å; N237-H239 VanDerWaalsContact OD1-N 3.12Å |
| 240 | Q | 97.5 | Very high | 95.8 | Very high | 61 Ų | 61 | 54.2 Ų | 54.2 | 29% | 0.285 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -92.1 | -7.2 | 174.9 | -67.2 | 177.8 | -90.7 | 0 | 0 | 112.6 | Y209 D210 N237 P238 | Y209-Q240 HydrophobicContact CD2-CB 3.76Å; Y209-Q240 HydrophobicContact CE2-CB 3.41Å; Y209-Q240 VanDerWaalsContact CE2-CB 3.41Å; Y209-Q240 HydrophobicContact CE2-CG 4.21Å; Y209-Q240 PolarHBondContact OH-NE2 3.43Å; Y209-Q240 PolarHBondContact OH-OE1 2.91Å; D210-Q240 PolarHBondContact N-O 2.87Å; D210-Q240 VanDerWaalsContact N-O 3.08Å; D210-Q240 PolarHBondContact OD1-NE2 3.36Å; D210-Q240 PolarHBondContact OD2-NE2 3Å; N237-Q240 PolarHBondContact ND2-OE1 3.2Å; N237-Q240 VanDerWaalsContact ND2-OE1 3.09Å; N237-Q240 PolarHBondContact O-N 3.5Å; P238-Q240 PolarHBondContact O-N 3.07Å |
| 241 | W | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 136.9 | 178.2 | -73.4 | 100.3 | 0 | 0 | 0 | 111.4 | L207 Q208 Y209 Q214 C231 F232 Y235 P238 V258 | L207-W241 HydrophobicContact CB-CE3 4.19Å; L207-W241 HydrophobicContact CB-CZ3 3.91Å; Q208-W241 CarbonylContact O-C 3.51Å; Q208-W241 WeakPolarHBondContact O-CA 3.32Å; Y209-W241 HydrophobicContact CD2-CD2 4.21Å; Y209-W241 AromaticContact CD2-CE2 3.91Å; Y209-W241 HydrophobicContact CD2-CG 4.4Å; Y209-W241 HydrophobicContact CD2-CZ2 4.43Å; Y209-W241 AromaticContact CD2-NE1 3.84Å; Q214-W241 HydrophobicContact CB-CH2 3.74Å; Q214-W241 HydrophobicContact CB-CZ3 3.84Å; Q214-W241 HydrophobicContact CG-CH2 3.8Å; Q214-W241 HydrophobicContact CG-CZ3 3.9Å; C231-W241 WeakPolarHBondContact O-CH2 3.24Å; C231-W241 WeakPolarHBondContact O-CZ2 3.38Å; F232-W241 HydrophobicContact CD1-CD2 4.44Å; F232-W241 AromaticContact CD1-CE2 3.79Å; F232-W241 HydrophobicContact CD1-CH2 4.48Å; F232-W241 AromaticContact CD1-CZ2 3.79Å; F232-W241 HydrophobicContact CD1-CZ2 3.79Å; F232-W241 AromaticContact CD1-NE1 3.9Å; F232-W241 HydrophobicContact CE1-CD2 4.09Å; F232-W241 AromaticContact CE1-CE2 3.9Å; F232-W241 HydrophobicContact CE1-CE3 4.44Å; F232-W241 HydrophobicContact CE1-CG 4.48Å; F232-W241 HydrophobicContact CE1-CH2 4.41Å; F232-W241 HydrophobicContact CE1-CZ2 4.04Å; Y235-W241 HydrophobicContact CD2-CH2 4.45Å; Y235-W241 HydrophobicContact CD2-CZ2 4.09Å; Y235-W241 HydrophobicContact CG-CZ2 4.4Å; Y235-W241 PolarHBondContact O-NE1 3.19Å; P238-W241 WeakPolarHBondContact O-CB 3.18Å; P238-W241 PolarHBondContact O-N 3.47Å; W241-V258 HydrophobicContact CB-CB 3.85Å; W241-V258 HydrophobicContact CB-CG1 4.43Å; W241-V258 HydrophobicContact CB-CG2 3.68Å; W241-V258 WeakPolarHBondContact O-CB 3.48Å; W241-V258 PolarHBondContact O-N 2.93Å; W241-V258 VanDerWaalsContact O-N 3.09Å |
| 242 | T | 98.5 | Very high | 95.7 | Very high | 14 Ų | 14 | 58.3 Ų | 58.3 | 9% | 0.086 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 155.2 | 172.2 | 58.7 | 0 | 0 | 0 | 0 | 110.5 | Q208 K255 R256 | Q208-T242 PolarHBondContact N-O 2.82Å; Q208-T242 PolarHBondContact O-N 3.35Å; T242-K255 WeakPolarHBondContact OG1-CE 3.05Å; T242-K255 PolarHBondContact OG1-NZ 2.97Å; T242-R256 CarbonylContact C-O 3.58Å; T242-R256 WeakPolarHBondContact CA-O 3.15Å |
| 243 | V | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 125.2 | 178.1 | -167.7 | 0 | 0 | 0 | 0 | 108.1 | A205 S206 L207 L225 F245 K255 R256 V258 V279 V281 | A205-V243 HydrophobicContact CB-CG1 3.69Å; S206-V243 WeakPolarHBondContact O-CA 3.45Å; L207-V243 HydrophobicContact CD2-CG2 3.82Å; L225-V243 HydrophobicContact CD1-CG1 4.23Å; L225-V243 HydrophobicContact CD1-CG2 4.32Å; L225-V243 HydrophobicContact CD2-CG1 3.6Å; V243-F245 HydrophobicContact CB-CE2 4.25Å; V243-F245 HydrophobicContact CB-CZ 4.34Å; V243-F245 HydrophobicContact CG1-CE1 4.11Å; V243-F245 HydrophobicContact CG1-CE2 3.86Å; V243-F245 HydrophobicContact CG1-CZ 3.58Å; V243-K255 CarbonylContact O-C 3.46Å; V243-K255 WeakPolarHBondContact O-CA 3.43Å; V243-R256 PolarHBondContact N-O 3.13Å; V243-R256 PolarHBondContact O-N 3.25Å; V243-V258 HydrophobicContact CG2-CG2 3.65Å; V243-V279 HydrophobicContact CG2-CG1 4.47Å; V243-V281 HydrophobicContact CB-CG1 4.3Å; V243-V281 HydrophobicContact CG2-CG1 3.76Å |
| 244 | S | 98.2 | Very high | 95.9 | Very high | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.014 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 142.2 | 175.4 | -66.2 | 0 | 0 | 0 | 0 | 110.7 | A205 S206 Q208 M254 | A205-S244 CarbonylContact C-O 3.49Å; A205-S244 VanDerWaalsContact CA-O 3.32Å; A205-S244 WeakPolarHBondContact CA-O 3.29Å; S206-S244 PolarHBondContact N-O 3.24Å; S206-S244 PolarHBondContact O-N 3.45Å; Q208-S244 VanDerWaalsContact NE2-CB 3.31Å; Q208-S244 PolarHBondContact NE2-OG 3.21Å; S244-M254 CarbonylContact C-O 3.56Å; S244-M254 WeakPolarHBondContact CA-O 3.34Å |
| 245 | F | 97.6 | Very high | 96.2 | Very high | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.009 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 158.6 | -178.4 | -57.9 | -86.1 | 0 | 0 | 0 | 111.5 | A205 L219 L225 V243 L253 M254 R256 V285 I291 | A205-F245 HydrophobicContact CB-CD1 4Å; A205-F245 HydrophobicContact CB-CE1 3.84Å; L219-F245 HydrophobicContact CB-CE1 4.27Å; L219-F245 HydrophobicContact CD1-CE1 3.88Å; L219-F245 HydrophobicContact CD1-CZ 4.12Å; L219-F245 HydrophobicContact CD2-CD1 4.44Å; L219-F245 HydrophobicContact CD2-CE1 4Å; L219-F245 HydrophobicContact CG-CE1 4.29Å; L225-F245 HydrophobicContact CD2-CE1 3.95Å; L225-F245 HydrophobicContact CD2-CZ 4.11Å; V243-F245 HydrophobicContact CB-CE2 4.25Å; V243-F245 HydrophobicContact CB-CZ 4.34Å; V243-F245 HydrophobicContact CG1-CE1 4.11Å; V243-F245 HydrophobicContact CG1-CE2 3.86Å; V243-F245 HydrophobicContact CG1-CZ 3.58Å; F245-L253 WeakPolarHBondContact O-CB 3Å; F245-L253 PolarHBondContact O-N 3.31Å; F245-M254 HydrophobicContact CB-CB 4.29Å; F245-M254 HydrophobicContact CD2-CB 4.2Å; F245-M254 HydrophobicContact CD2-CG 4.32Å; F245-M254 HydrophobicContact CD2-SD 4.48Å; F245-M254 PolarHBondContact N-O 2.96Å; F245-M254 PolarHBondContact O-N 2.86Å; F245-R256 HydrophobicContact CE2-CB 4.42Å; F245-R256 HydrophobicContact CE2-CG 4.07Å; F245-V285 HydrophobicContact CE1-CG2 4.46Å; F245-V285 HydrophobicContact CE2-CG1 4.41Å; F245-V285 HydrophobicContact CE2-CG2 3.79Å; F245-V285 HydrophobicContact CZ-CG1 4.37Å; F245-V285 HydrophobicContact CZ-CG2 3.61Å; F245-I291 HydrophobicContact CB-CD1 3.71Å; F245-I291 HydrophobicContact CB-CG1 4.03Å; F245-I291 HydrophobicContact CB-CG2 4.4Å; F245-I291 HydrophobicContact CD1-CG2 4.16Å; F245-I291 HydrophobicContact CG-CD1 4.41Å; F245-I291 HydrophobicContact CG-CG2 4.31Å |
| 246 | G | 94.4 | Very high | 96.4 | Very high | 13 Ų | 13 | 54.3 Ų | 54.3 | 13% | 0.134 | 28% | 0.278 | C | S | . | . | S | Bend | trans | 102.5 | -170.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 247 | T | 93.8 | Very high | 96.5 | Very high | 38 Ų | 38 | 51.2 Ų | 51.2 | 23% | 0.233 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -89.7 | 3.2 | -177.1 | 54.8 | 0 | 0 | 0 | 0 | 114.1 | E326 L327 | T247-E326 WeakPolarHBondContact O-CA 3.25Å; T247-L327 HydrophobicContact CG2-CD2 4.32Å; T247-L327 PolarHBondContact O-N 2.85Å |
| 248 | K | 95.6 | Very high | 96.6 | Very high | 82 Ų | 82 | 48 Ų | 48 | 36% | 0.357 | 25% | 0.252 | S | S | . | . | B | Isolated β-bridge | trans | -132.3 | 142.1 | 177.7 | -65.4 | -169.9 | 178.4 | -158.4 | 0 | 111.7 | N325 E326 | K248-N325 VanDerWaalsContact CA-O 3.28Å; K248-N325 WeakPolarHBondContact CA-O 3.35Å; K248-E326 WeakPolarHBondContact CE-OE1 3.24Å; K248-E326 HydrophobicContact CG-CG 4.46Å; K248-E326 IonicContact NZ-OE1 2.87Å; K248-E326 PolarHBondContact NZ-OE1 2.81Å |
| 249 | I | 95.6 | Very high | 96.7 | Very high | 16 Ų | 16 | 52.4 Ų | 52.4 | 8% | 0.082 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -73.4 | -43.6 | 171.9 | -65 | 174.8 | 0 | 0 | 0 | 110 | Q208 H213 P252 F314 Q324 N325 | Q208-I249 VanDerWaalsContact NE2-CG2 3.27Å; H213-I249 HydrophobicContact CB-CD1 3.69Å; H213-I249 HydrophobicContact CB-CG2 4.45Å; I249-P252 WeakPolarHBondContact O-CD 3.42Å; I249-F314 HydrophobicContact CD1-CB 3.62Å; I249-F314 HydrophobicContact CD1-CD1 3.88Å; I249-F314 HydrophobicContact CD1-CD2 4.42Å; I249-F314 HydrophobicContact CD1-CG 3.74Å; I249-F314 HydrophobicContact CG1-CB 4.27Å; I249-F314 HydrophobicContact CG1-CD1 3.64Å; I249-F314 HydrophobicContact CG1-CD2 4.25Å; I249-F314 HydrophobicContact CG1-CE1 3.93Å; I249-F314 HydrophobicContact CG1-CG 3.81Å; I249-F314 HydrophobicContact CG1-CZ 4.36Å; I249-Q324 WeakPolarHBondContact CD1-O 3.41Å; I249-N325 WeakPolarHBondContact CB-OD1 3.21Å; I249-N325 PolarHBondContact N-O 3.43Å; I249-N325 PolarHBondContact N-OD1 3.07Å |
| 250 | N | 94.1 | Very high | 96.8 | Very high | 115 Ų | 115 | 50.6 Ų | 50.6 | 62% | 0.615 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -144.4 | 124.4 | -177.9 | -170.5 | 25.6 | 0 | 0 | 0 | 112.2 | N325 | N250-N325 PolarHBondContact N-OD1 2.93Å; N250-N325 PolarHBondContact O-ND2 2.83Å; N250-N325 PolarHBondContact O-OD1 3.02Å |
| 251 | P | 95.4 | Very high | 96.9 | Very high | 101 Ų | 101 | 49.6 Ų | 49.6 | 66% | 0.656 | 25% | 0.25 | S | C | * | . | S | Bend | cis | -68.5 | 136.7 | -14.2 | 29.7 | -33.5 | 0 | 0 | 0 | 110.6 | ||
| 252 | P | 96.6 | Very high | 96.8 | Very high | 39 Ų | 39 | 51.2 Ų | 51.2 | 25% | 0.253 | 26% | 0.258 | S | S | . | . | trans | -77.9 | 157 | 176.8 | 34 | -34.9 | 0 | 0 | 0 | 111.2 | I249 M254 K255 | I249-P252 WeakPolarHBondContact O-CD 3.42Å; P252-M254 VanDerWaalsContact C-N 3.34Å; P252-K255 HydrophobicContact CG-CB 4.27Å | ||
| 253 | L | 95.1 | Very high | 96.8 | Very high | 95 Ų | 95 | 52.7 Ų | 52.7 | 50% | 0.497 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -68 | -38.4 | 173.6 | 177.9 | 62.9 | 0 | 0 | 0 | 111.4 | F245 D290 I291 | F245-L253 WeakPolarHBondContact O-CB 3Å; F245-L253 PolarHBondContact O-N 3.31Å; L253-D290 HydrophobicContact CD2-CB 3.36Å; L253-I291 HydrophobicContact CD2-CD1 3.86Å; L253-I291 HydrophobicContact CD2-CG1 3.89Å; L253-I291 HydrophobicContact CG-CD1 4.15Å |
| 254 | M | 96.4 | Very high | 96.8 | Very high | 35 Ų | 35 | 53.5 Ų | 53.5 | 17% | 0.172 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 142.5 | 176.4 | -176.5 | -177.6 | -64.9 | 0 | 0 | 109.5 | S244 F245 P252 R256 V285 I291 | S244-M254 CarbonylContact C-O 3.56Å; S244-M254 WeakPolarHBondContact CA-O 3.34Å; F245-M254 HydrophobicContact CB-CB 4.29Å; F245-M254 HydrophobicContact CD2-CB 4.2Å; F245-M254 HydrophobicContact CD2-CG 4.32Å; F245-M254 HydrophobicContact CD2-SD 4.48Å; F245-M254 PolarHBondContact N-O 2.96Å; F245-M254 PolarHBondContact O-N 2.86Å; P252-M254 VanDerWaalsContact C-N 3.34Å; M254-R256 VanDerWaalsContact CG-NH1 3.29Å; M254-R256 PolarHBondContact SD-NH2 3.36Å; M254-R256 VanDerWaalsContact SD-NH2 3.36Å; M254-V285 HydrophobicContact SD-CG1 3.93Å; M254-I291 HydrophobicContact CB-CD1 3.66Å; M254-I291 HydrophobicContact CE-CD1 3.87Å; M254-I291 HydrophobicContact SD-CD1 4.17Å |
| 255 | K | 97.3 | Very high | 96.8 | Very high | 69 Ų | 69 | 58.8 Ų | 58.8 | 30% | 0.3 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 144.8 | 173.9 | -164.2 | 167.8 | -172 | 163 | 0 | 111.1 | Q208 N211 T242 V243 P252 | Q208-K255 VanDerWaalsContact OE1-NZ 3.11Å; N211-K255 PolarHBondContact OD1-NZ 2.9Å; T242-K255 WeakPolarHBondContact OG1-CE 3.05Å; T242-K255 PolarHBondContact OG1-NZ 2.97Å; V243-K255 CarbonylContact O-C 3.46Å; V243-K255 WeakPolarHBondContact O-CA 3.43Å; P252-K255 HydrophobicContact CG-CB 4.27Å |
| 256 | R | 97.6 | Very high | 96.7 | Very high | 53 Ų | 53 | 63.3 Ų | 63.3 | 20% | 0.2 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 143.2 | 176.5 | -68.4 | -65.3 | -178.8 | -95.2 | 4.3 | 110.7 | T242 V243 F245 M254 V281 R284 V285 | T242-R256 CarbonylContact C-O 3.58Å; T242-R256 WeakPolarHBondContact CA-O 3.15Å; V243-R256 PolarHBondContact N-O 3.13Å; V243-R256 PolarHBondContact O-N 3.25Å; F245-R256 HydrophobicContact CE2-CB 4.42Å; F245-R256 HydrophobicContact CE2-CG 4.07Å; M254-R256 VanDerWaalsContact CG-NH1 3.29Å; M254-R256 PolarHBondContact SD-NH2 3.36Å; M254-R256 VanDerWaalsContact SD-NH2 3.36Å; R256-V281 HydrophobicContact CB-CB 4.06Å; R256-V281 HydrophobicContact CB-CG1 3.86Å; R256-R284 PolarHBondContact NE-O 3.02Å; R256-R284 VanDerWaalsContact NE-O 3.13Å; R256-R284 PolarHBondContact NH2-O 2.93Å; R256-V285 HydrophobicContact CG-CG2 4.29Å |
| 257 | N | 98 | Very high | 96.8 | Very high | 93 Ų | 93 | 64.5 Ų | 64.5 | 50% | 0.497 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 147.3 | 170.5 | -64.3 | -17.9 | 0 | 0 | 0 | 110 | V281 S282 | N257-V281 WeakPolarHBondContact O-CA 3.33Å; N257-S282 PolarHBondContact O-N 3.46Å; N257-S282 PolarHBondContact O-OG 2.81Å |
| 258 | V | 98.5 | Very high | 96.3 | Very high | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.006 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 129.1 | 171.6 | 174.2 | 0 | 0 | 0 | 0 | 109.2 | P238 W241 V243 F261 V279 | P238-V258 HydrophobicContact CB-CG1 4.07Å; W241-V258 HydrophobicContact CB-CB 3.85Å; W241-V258 HydrophobicContact CB-CG1 4.43Å; W241-V258 HydrophobicContact CB-CG2 3.68Å; W241-V258 WeakPolarHBondContact O-CB 3.48Å; W241-V258 PolarHBondContact O-N 2.93Å; W241-V258 VanDerWaalsContact O-N 3.09Å; V243-V258 HydrophobicContact CG2-CG2 3.65Å; V258-F261 HydrophobicContact CG1-CD1 4.42Å; V258-V279 HydrophobicContact CB-CG1 4.32Å; V258-V279 HydrophobicContact CG1-CG1 3.71Å; V258-V279 HydrophobicContact CG2-CG1 3.68Å |
| 259 | K | 97.5 | Very high | 95.7 | Very high | 121 Ų | 121 | 67.3 Ų | 67.3 | 53% | 0.526 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | -48.4 | 172.9 | -176.4 | 178 | -177.1 | 178.6 | 0 | 110.6 | Q280 S282 | K259-Q280 WeakPolarHBondContact CB-O 3.33Å; K259-Q280 PolarHBondContact N-O 3.12Å; K259-S282 PolarHBondContact N-OG 3.36Å |
| 260 | R | 98.2 | Very high | 95 | Very high | 113 Ų | 113 | 70.6 Ų | 70.6 | 43% | 0.426 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 161.1 | 177.4 | 60.9 | 176.3 | -178.9 | 159.8 | 5.8 | 109.6 | Q280 | R260-Q280 HydrophobicContact CG-CB 3.89Å; R260-Q280 PolarHBondContact N-O 3.28Å; R260-Q280 PolarHBondContact O-N 2.88Å |
| 261 | F | 98.4 | Very high | 94.3 | Very high | 40 Ų | 40 | 66.8 Ų | 66.8 | 18% | 0.175 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 153.7 | 164.1 | 55.9 | -97.8 | 0 | 0 | 0 | 108.9 | F232 K236 P238 V258 V263 V278 V279 | F232-F261 HydrophobicContact CB-CD2 3.99Å; F232-F261 HydrophobicContact CB-CE2 3.65Å; F232-F261 HydrophobicContact CB-CZ 4.05Å; F232-F261 AromaticContact CD1-CD1 3.72Å; F232-F261 HydrophobicContact CD1-CD1 3.72Å; F232-F261 AromaticContact CD1-CD2 3.97Å; F232-F261 HydrophobicContact CD1-CD2 3.97Å; F232-F261 AromaticContact CD1-CE1 3.82Å; F232-F261 HydrophobicContact CD1-CE1 3.82Å; F232-F261 HydrophobicContact CD1-CE2 4.08Å; F232-F261 AromaticContact CD1-CG 3.79Å; F232-F261 HydrophobicContact CD1-CG 3.79Å; F232-F261 HydrophobicContact CD1-CZ 4Å; F232-F261 HydrophobicContact CD2-CB 4.4Å; F232-F261 AromaticContact CD2-CD2 3.91Å; F232-F261 HydrophobicContact CD2-CD2 3.91Å; F232-F261 HydrophobicContact CD2-CE2 4.45Å; F232-F261 HydrophobicContact CD2-CG 4.15Å; F232-F261 HydrophobicContact CE1-CB 4.22Å; F232-F261 AromaticContact CE1-CD1 3.8Å; F232-F261 HydrophobicContact CE1-CD1 3.8Å; F232-F261 HydrophobicContact CE1-CD2 4.48Å; F232-F261 HydrophobicContact CE1-CE1 4.31Å; F232-F261 AromaticContact CE1-CG 3.9Å; F232-F261 HydrophobicContact CE1-CG 3.9Å; F232-F261 HydrophobicContact CE2-CB 4.05Å; F232-F261 HydrophobicContact CE2-CD2 4.41Å; F232-F261 HydrophobicContact CE2-CG 4.22Å; F232-F261 HydrophobicContact CG-CD1 4.29Å; F232-F261 AromaticContact CG-CD2 3.67Å; F232-F261 HydrophobicContact CG-CD2 3.67Å; F232-F261 HydrophobicContact CG-CE1 4.4Å; F232-F261 AromaticContact CG-CE2 3.8Å; F232-F261 HydrophobicContact CG-CE2 3.8Å; F232-F261 AromaticContact CG-CG 3.93Å; F232-F261 HydrophobicContact CG-CG 3.93Å; F232-F261 HydrophobicContact CG-CZ 4.17Å; F232-F261 HydrophobicContact CZ-CB 3.98Å; F232-F261 HydrophobicContact CZ-CD1 4.42Å; F232-F261 HydrophobicContact CZ-CG 4.12Å; K236-F261 VanDerWaalsContact O-CZ 3.27Å; K236-F261 WeakPolarHBondContact O-CZ 3.46Å; P238-F261 HydrophobicContact CB-CD1 4.16Å; P238-F261 HydrophobicContact CB-CE1 4.06Å; V258-F261 HydrophobicContact CG1-CD1 4.42Å; F261-V263 HydrophobicContact CD2-CG2 4.16Å; F261-V263 HydrophobicContact CE2-CG2 4.39Å; F261-V278 CarbonylContact C-O 3.54Å; F261-V278 WeakPolarHBondContact CA-O 3.42Å; F261-V279 HydrophobicContact CB-CG2 4.16Å |
| 262 | I | 98.4 | Very high | 93.9 | Very high | 33 Ų | 33 | 67 Ų | 67 | 17% | 0.169 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 112.6 | 179.1 | -54.3 | 170.7 | 0 | 0 | 0 | 106.2 | W224 A277 V278 W414 K418 | W224-I262 HydrophobicContact CH2-CD1 3.98Å; W224-I262 HydrophobicContact CZ3-CD1 4.28Å; I262-A277 CarbonylContact O-C 3.51Å; I262-A277 WeakPolarHBondContact O-CA 3.33Å; I262-A277 WeakPolarHBondContact O-CB 3.35Å; I262-V278 HydrophobicContact CB-CG2 3.82Å; I262-V278 HydrophobicContact CD1-CG2 4.19Å; I262-V278 HydrophobicContact CG1-CG2 4.32Å; I262-V278 PolarHBondContact N-O 2.9Å; I262-V278 PolarHBondContact O-N 3.49Å; I262-W414 HydrophobicContact CG2-CZ2 4.33Å; I262-K418 HydrophobicContact CD1-CB 4.22Å; I262-K418 HydrophobicContact CG2-CD 4.26Å; I262-K418 HydrophobicContact CG2-CG 4.29Å |
| 263 | V | 98.3 | Very high | 93.6 | Very high | 45 Ų | 45 | 67.9 Ų | 67.9 | 27% | 0.273 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 143.6 | 172.9 | 171.5 | 0 | 0 | 0 | 0 | 108.6 | A229 F232 F261 E265 Y267 A277 | A229-V263 HydrophobicContact CB-CG1 3.68Å; F232-V263 HydrophobicContact CB-CG2 4.09Å; F232-V263 HydrophobicContact CD2-CG2 4.08Å; F232-V263 HydrophobicContact CG-CG2 4.5Å; F261-V263 HydrophobicContact CD2-CG2 4.16Å; F261-V263 HydrophobicContact CE2-CG2 4.39Å; V263-E265 PolarHBondContact O-N 3.33Å; V263-Y267 HydrophobicContact CG1-CD1 3.89Å; V263-Y267 HydrophobicContact CG1-CG 4.15Å; V263-A277 HydrophobicContact CG2-CB 4.17Å |
| 264 | H | 98.3 | Very high | 93.7 | Very high | 18 Ų | 18 | 66.1 Ų | 66.1 | 8% | 0.083 | 33% | 0.327 | C | S | . | . | trans | -55.9 | 134.4 | 174.3 | -165.3 | -67.8 | 0 | 0 | 0 | 111.3 | N266 Y267 Y274 I276 Y411 W414 | H264-N266 VanDerWaalsContact C-N 3.26Å; H264-N266 PolarHBondContact ND1-N 3.44Å; H264-N266 PolarHBondContact O-N 2.81Å; H264-Y267 VanDerWaalsContact O-CB 3.23Å; H264-Y267 WeakPolarHBondContact O-CB 3.46Å; H264-Y267 PolarHBondContact O-N 3.09Å; H264-Y274 WeakPolarHBondContact CB-O 3.34Å; H264-Y274 AromaticContact CE1-CD1 3.16Å; H264-Y274 WeakPolarHBondContact CE1-CD1 3.45Å; H264-Y274 AromaticContact CE1-CE1 3.78Å; H264-Y274 AromaticContact CE1-CG 3.93Å; H264-Y274 AromaticContact ND1-CD1 3.45Å; H264-Y274 WeakPolarHBondContact ND1-CD1 3.16Å; H264-Y274 AromaticContact ND1-CG 3.76Å; H264-Y274 AromaticContact NE2-CD1 3.56Å; H264-I276 HydrophobicContact CB-CG2 3.74Å; H264-I276 WeakPolarHBondContact CB-O 3.3Å; H264-I276 PolarHBondContact N-O 3.19Å; H264-Y411 AromaticContact CD2-CD1 3.96Å; H264-W414 VanDerWaalsContact CA-CZ2 3.46Å; H264-W414 HydrophobicContact CB-CH2 4.41Å; H264-W414 HydrophobicContact CB-CZ2 3.89Å; H264-W414 AromaticContact CD2-CD1 3.38Å; H264-W414 AromaticContact CD2-CD2 3.53Å; H264-W414 AromaticContact CD2-CE2 3.46Å; H264-W414 VanDerWaalsContact CD2-CE2 3.46Å; H264-W414 AromaticContact CD2-CG 3.53Å; H264-W414 AromaticContact CD2-NE1 3.31Å; H264-W414 PolarHBondContact CD2-NE1 2.87Å; H264-W414 VanDerWaalsContact CD2-NE1 3.31Å; H264-W414 AromaticContact CG-CE2 3.91Å; H264-W414 AromaticContact CG-NE1 3.77Å; H264-W414 AromaticContact NE2-CD1 3.37Å; H264-W414 AromaticContact NE2-CG 3.74Å; H264-W414 AromaticContact NE2-NE1 3.68Å | ||
| 265 | E | 97.3 | Very high | 93.8 | Very high | 112 Ų | 112 | 64.7 Ų | 64.7 | 52% | 0.523 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -35.1 | -171.1 | -66.5 | 81.1 | 176.4 | 0 | 0 | 112.9 | V263 Y267 W414 K418 | V263-E265 PolarHBondContact O-N 3.33Å; E265-Y267 VanDerWaalsContact C-N 3.34Å; E265-W414 PolarHBondContact OE2-NE1 3.05Å; E265-K418 WeakPolarHBondContact OE1-CE 3.42Å; E265-K418 IonicContact OE1-NZ 2.94Å; E265-K418 PolarHBondContact OE1-NZ 3.38Å; E265-K418 IonicContact OE2-NZ 2.7Å |
| 266 | N | 96.5 | Very high | 93.9 | Very high | 97 Ų | 97 | 61.4 Ų | 61.4 | 52% | 0.519 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 6.9 | 179.1 | -60.4 | -18 | 0 | 0 | 0 | 114.2 | H264 H268 Y274 | H264-N266 VanDerWaalsContact C-N 3.26Å; H264-N266 PolarHBondContact ND1-N 3.44Å; H264-N266 PolarHBondContact O-N 2.81Å; N266-H268 PolarHBondContact O-N 2.87Å; N266-Y274 HydrophobicContact CB-CD1 3.9Å; N266-Y274 HydrophobicContact CB-CD2 3.56Å; N266-Y274 HydrophobicContact CB-CE1 4.05Å; N266-Y274 HydrophobicContact CB-CE2 3.74Å; N266-Y274 HydrophobicContact CB-CG 3.69Å; N266-Y274 VanDerWaalsContact O-CD2 3.31Å; N266-Y274 WeakPolarHBondContact O-CD2 3.48Å |
| 267 | Y | 95.7 | Very high | 93.9 | Very high | 38 Ų | 38 | 58.9 Ų | 58.9 | 15% | 0.149 | 30% | 0.296 | C | S | . | . | trans | -65.2 | 128.1 | -179.4 | 176.6 | -113.1 | 0 | 0 | 0 | 111.8 | A229 H230 Q233 V263 H264 E265 E273 Y274 D275 | A229-Y267 HydrophobicContact CB-CD1 3.5Å; A229-Y267 VanDerWaalsContact CB-CD1 3.5Å; A229-Y267 HydrophobicContact CB-CD2 3.54Å; A229-Y267 HydrophobicContact CB-CE1 3.75Å; A229-Y267 HydrophobicContact CB-CE2 3.86Å; A229-Y267 HydrophobicContact CB-CG 3.38Å; H230-Y267 WeakPolarHBondContact CA-OH 3.39Å; H230-Y267 WeakPolarHBondContact CB-OH 3.19Å; Q233-Y267 HydrophobicContact CG-CE1 3.74Å; Q233-Y267 VanDerWaalsContact NE2-CZ 3.27Å; Q233-Y267 PolarHBondContact NE2-OH 3.48Å; V263-Y267 HydrophobicContact CG1-CD1 3.89Å; V263-Y267 HydrophobicContact CG1-CG 4.15Å; H264-Y267 VanDerWaalsContact O-CB 3.23Å; H264-Y267 WeakPolarHBondContact O-CB 3.46Å; H264-Y267 PolarHBondContact O-N 3.09Å; E265-Y267 VanDerWaalsContact C-N 3.34Å; Y267-E273 VanDerWaalsContact CD2-O 3.24Å; Y267-E273 WeakPolarHBondContact CD2-O 3.36Å; Y267-Y274 WeakPolarHBondContact CD2-O 3.45Å; Y267-D275 HydrophobicContact CD2-CB 4.22Å; Y267-D275 HydrophobicContact CE2-CB 3.87Å | ||
| 268 | H | 83.8 | Confident | 94 | Very high | 110 Ų | 110 | 54.4 Ų | 54.4 | 51% | 0.509 | 27% | 0.272 | S | S | . | . | trans | -136.6 | 124.4 | 179.2 | -163.6 | 74.1 | 0 | 0 | 0 | 111 | N266 A270 S271 R272 | N266-H268 PolarHBondContact O-N 2.87Å; H268-A270 VanDerWaalsContact C-N 3.27Å; H268-A270 PolarHBondContact O-N 3.26Å; H268-S271 PolarHBondContact O-N 2.92Å; H268-R272 PolarHBondContact O-N 3.18Å | ||
| 269 | S | 83.8 | Confident | 94 | Very high | 70 Ų | 70 | 54.4 Ų | 54.4 | 49% | 0.49 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -42.3 | -175.8 | 7.6 | 0 | 0 | 0 | 0 | 113 | Q233 | Q233-S269 PolarHBondContact NE2-OG 2.91Š|
| 270 | A | 80.9 | Confident | 94 | Very high | 84 Ų | 84 | 50.1 Ų | 50.1 | 69% | 0.694 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -38.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | H268 | H268-A270 VanDerWaalsContact C-N 3.27Å; H268-A270 PolarHBondContact O-N 3.26Å |
| 271 | S | 79.2 | Confident | 94 | Very high | 36 Ų | 36 | 45 Ų | 45 | 25% | 0.252 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -15.2 | 178.6 | 70.5 | 0 | 0 | 0 | 0 | 113.5 | H268 E273 | H268-S271 PolarHBondContact O-N 2.92Å; S271-E273 WeakPolarHBondContact CB-OE2 3.37Å; S271-E273 PolarHBondContact O-N 3.22Å; S271-E273 PolarHBondContact OG-OE2 3.03Å |
| 272 | R | 85.9 | Confident | 93.7 | Very high | 104 Ų | 104 | 45.4 Ų | 45.4 | 39% | 0.392 | 24% | 0.243 | S | C | . | . | trans | 59.2 | 8.8 | -176.4 | -53 | 174.9 | -175.8 | 169.7 | 0.3 | 113.6 | H268 M354 | H268-R272 PolarHBondContact O-N 3.18Å; R272-M354 VanDerWaalsContact C-CE 3.43Å; R272-M354 HydrophobicContact CB-CE 4.27Å; R272-M354 WeakPolarHBondContact O-CE 3.26Å | ||
| 273 | E | 91.6 | Very high | 93.1 | Very high | 58 Ų | 58 | 52.1 Ų | 52.1 | 27% | 0.271 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 153.4 | 176.1 | -66.2 | 172.7 | 100.2 | 0 | 0 | 110.8 | Y267 S271 D275 K351 M354 | Y267-E273 VanDerWaalsContact CD2-O 3.24Å; Y267-E273 WeakPolarHBondContact CD2-O 3.36Å; S271-E273 WeakPolarHBondContact CB-OE2 3.37Å; S271-E273 PolarHBondContact O-N 3.22Å; S271-E273 PolarHBondContact OG-OE2 3.03Å; E273-D275 PolarHBondContact O-N 2.74Å; E273-K351 HydrophobicContact CG-CB 3.78Å; E273-K351 HydrophobicContact CG-CG 3.64Å; E273-M354 HydrophobicContact CB-CE 4.46Å; E273-M354 HydrophobicContact CG-CE 4.07Å |
| 274 | Y | 96.9 | Very high | 92.5 | Very high | 59 Ų | 59 | 58.5 Ų | 58.5 | 23% | 0.231 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 33 | 179 | -51.2 | -89.9 | 0 | 0 | 0 | 113.4 | H264 N266 Y267 I276 Y411 | H264-Y274 WeakPolarHBondContact CB-O 3.34Å; H264-Y274 AromaticContact CE1-CD1 3.16Å; H264-Y274 WeakPolarHBondContact CE1-CD1 3.45Å; H264-Y274 AromaticContact CE1-CE1 3.78Å; H264-Y274 AromaticContact CE1-CG 3.93Å; H264-Y274 AromaticContact ND1-CD1 3.45Å; H264-Y274 WeakPolarHBondContact ND1-CD1 3.16Å; H264-Y274 AromaticContact ND1-CG 3.76Å; H264-Y274 AromaticContact NE2-CD1 3.56Å; N266-Y274 HydrophobicContact CB-CD1 3.9Å; N266-Y274 HydrophobicContact CB-CD2 3.56Å; N266-Y274 HydrophobicContact CB-CE1 4.05Å; N266-Y274 HydrophobicContact CB-CE2 3.74Å; N266-Y274 HydrophobicContact CB-CG 3.69Å; N266-Y274 VanDerWaalsContact O-CD2 3.31Å; N266-Y274 WeakPolarHBondContact O-CD2 3.48Å; Y267-Y274 WeakPolarHBondContact CD2-O 3.45Å; Y274-I276 PolarHBondContact O-N 3.26Å; Y274-Y411 WeakPolarHBondContact CA-OH 3.07Å; Y274-Y411 AromaticContact CD1-CE1 3.58Å; Y274-Y411 HydrophobicContact CD1-CE1 3.58Å; Y274-Y411 HydrophobicContact CE1-CE1 4.19Å; Y274-Y411 HydrophobicContact CG-CE1 4.37Å; Y274-Y411 PolarHBondContact N-OH 3.23Å |
| 275 | D | 98.1 | Very high | 91.9 | Very high | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | trans | -75.2 | 68.3 | -179.2 | -170.5 | 26.1 | 0 | 0 | 0 | 112.2 | A229 H230 Y267 E273 S391 T406 | A229-D275 WeakPolarHBondContact CA-OD1 3.41Å; A229-D275 WeakPolarHBondContact CB-OD1 3.27Å; A229-D275 PolarHBondContact N-OD1 3.11Å; H230-D275 IonicContact CE1-OD2 2.76Å; H230-D275 PolarHBondContact CE1-OD2 3.19Å; H230-D275 IonicContact CG-OD1 3.49Å; H230-D275 IonicContact CG-OD2 3.02Å; H230-D275 PolarHBondContact N-OD1 3.01Å; H230-D275 IonicContact ND1-OD1 3.87Å; H230-D275 PolarHBondContact ND1-OD1 2.83Å; H230-D275 IonicContact ND1-OD2 3.37Å; H230-D275 PolarHBondContact ND1-OD2 3.4Å; Y267-D275 HydrophobicContact CD2-CB 4.22Å; Y267-D275 HydrophobicContact CE2-CB 3.87Å; E273-D275 PolarHBondContact O-N 2.74Å; D275-S391 WeakPolarHBondContact CB-OG 3.19Å; D275-S391 WeakPolarHBondContact OD2-CB 3.36Å; D275-S391 PolarHBondContact OD2-OG 2.64Å; D275-T406 PolarHBondContact O-OG1 2.87Å | ||
| 276 | I | 98.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -142.9 | 139.4 | -179.9 | -168.5 | 171.8 | 0 | 0 | 0 | 111.1 | V226 T227 H264 Y274 I389 T406 Y411 W414 I415 | V226-I276 HydrophobicContact CG2-CD1 3.93Å; V226-I276 HydrophobicContact CG2-CG1 3.83Å; T227-I276 WeakPolarHBondContact O-CA 3.42Å; H264-I276 HydrophobicContact CB-CG2 3.74Å; H264-I276 WeakPolarHBondContact CB-O 3.3Å; H264-I276 PolarHBondContact N-O 3.19Å; Y274-I276 PolarHBondContact O-N 3.26Å; I276-I389 HydrophobicContact CD1-CD1 3.85Å; I276-I389 HydrophobicContact CG1-CD1 3.79Å; I276-T406 HydrophobicContact CB-CG2 4.18Å; I276-Y411 HydrophobicContact CD1-CG 4.15Å; I276-Y411 HydrophobicContact CG2-CD1 4.02Å; I276-Y411 HydrophobicContact CG2-CE1 4.45Å; I276-Y411 HydrophobicContact CG2-CG 4.07Å; I276-W414 HydrophobicContact CB-CZ3 4.39Å; I276-W414 HydrophobicContact CD1-CE3 4.07Å; I276-W414 HydrophobicContact CD1-CZ3 4Å; I276-W414 HydrophobicContact CG1-CE3 4.33Å; I276-W414 HydrophobicContact CG1-CZ3 3.82Å; I276-W414 HydrophobicContact CG2-CE3 3.99Å; I276-W414 HydrophobicContact CG2-CH2 4.32Å; I276-W414 HydrophobicContact CG2-CZ3 3.87Å; I276-I415 HydrophobicContact CD1-CD1 3.97Å; I276-I415 HydrophobicContact CD1-CG1 3.93Å | ||
| 277 | A | 98.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 153.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | V226 T227 F232 I262 V263 | V226-A277 WeakPolarHBondContact CA-O 3.37Å; V226-A277 WeakPolarHBondContact CG2-O 3.32Å; T227-A277 HydrophobicContact CG2-CB 4.07Å; T227-A277 PolarHBondContact N-O 2.87Å; T227-A277 PolarHBondContact O-N 2.87Å; T227-A277 VanDerWaalsContact O-O 3.13Å; F232-A277 HydrophobicContact CD2-CB 3.87Å; F232-A277 HydrophobicContact CE2-CB 3.74Å; I262-A277 CarbonylContact O-C 3.51Å; I262-A277 WeakPolarHBondContact O-CA 3.33Å; I262-A277 WeakPolarHBondContact O-CB 3.35Å; V263-A277 HydrophobicContact CG2-CB 4.17Å |
| 278 | V | 98.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 142.1 | 168.8 | -67.1 | 0 | 0 | 0 | 0 | 110.5 | W224 L225 V226 F261 I262 W414 K418 T419 | W224-V278 HydrophobicContact CE3-CB 4.05Å; W224-V278 HydrophobicContact CE3-CG2 4.16Å; W224-V278 HydrophobicContact CZ3-CB 4.13Å; W224-V278 HydrophobicContact CZ3-CG2 3.75Å; L225-V278 CarbonylContact O-C 3.26Å; L225-V278 VanDerWaalsContact O-CA 3.26Å; L225-V278 WeakPolarHBondContact O-CA 3.43Å; V226-V278 HydrophobicContact CB-CG1 4.44Å; V226-V278 HydrophobicContact CG2-CG1 4.28Å; F261-V278 CarbonylContact C-O 3.54Å; F261-V278 WeakPolarHBondContact CA-O 3.42Å; I262-V278 HydrophobicContact CB-CG2 3.82Å; I262-V278 HydrophobicContact CD1-CG2 4.19Å; I262-V278 HydrophobicContact CG1-CG2 4.32Å; I262-V278 PolarHBondContact N-O 2.9Å; I262-V278 PolarHBondContact O-N 3.49Å; V278-W414 HydrophobicContact CG1-CH2 4.37Å; V278-W414 HydrophobicContact CG1-CZ3 3.94Å; V278-W414 HydrophobicContact CG2-CH2 4.27Å; V278-K418 HydrophobicContact CG2-CB 3.91Å; V278-T419 HydrophobicContact CB-CG2 4.02Å; V278-T419 HydrophobicContact CG1-CG2 3.86Å; V278-T419 HydrophobicContact CG2-CG2 4.02Å |
| 279 | V | 98.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 125.7 | -177.7 | -174.3 | 0 | 0 | 0 | 0 | 108.8 | L207 W224 L225 T227 F232 V243 V258 F261 | L207-V279 HydrophobicContact CD1-CG2 4.43Å; L207-V279 HydrophobicContact CD2-CG1 4.49Å; L207-V279 HydrophobicContact CD2-CG2 4.45Å; W224-V279 CarbonylContact C-O 3.58Å; W224-V279 WeakPolarHBondContact CA-O 3.44Å; L225-V279 HydrophobicContact CB-CB 4.31Å; L225-V279 PolarHBondContact N-O 3.13Å; L225-V279 PolarHBondContact O-N 3.35Å; T227-V279 HydrophobicContact CG2-CG2 3.78Å; F232-V279 HydrophobicContact CE2-CG2 3.98Å; F232-V279 HydrophobicContact CZ-CG2 3.53Å; V243-V279 HydrophobicContact CG2-CG1 4.47Å; V258-V279 HydrophobicContact CB-CG1 4.32Å; V258-V279 HydrophobicContact CG1-CG1 3.71Å; V258-V279 HydrophobicContact CG2-CG1 3.68Å; F261-V279 HydrophobicContact CB-CG2 4.16Å |
| 280 | Q | 98.4 | Very high | 89.7 | Confident | 32 Ų | 32 | 50.1 Ų | 50.1 | 15% | 0.15 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 125.7 | 172.9 | -161.3 | 174.3 | 23.4 | 0 | 0 | 109.7 | T223 W224 K259 R260 | T223-Q280 WeakPolarHBondContact O-CA 3.42Å; W224-Q280 HydrophobicContact CD2-CB 4.23Å; W224-Q280 HydrophobicContact CD2-CG 4.16Å; W224-Q280 HydrophobicContact CE3-CB 3.8Å; W224-Q280 HydrophobicContact CE3-CG 4.24Å; W224-Q280 HydrophobicContact CH2-CB 3.81Å; W224-Q280 HydrophobicContact CH2-CG 4.11Å; W224-Q280 HydrophobicContact CZ2-CB 4.22Å; W224-Q280 HydrophobicContact CZ2-CG 4Å; W224-Q280 HydrophobicContact CZ3-CB 3.58Å; W224-Q280 HydrophobicContact CZ3-CG 4.23Å; K259-Q280 WeakPolarHBondContact CB-O 3.33Å; K259-Q280 PolarHBondContact N-O 3.12Å; R260-Q280 HydrophobicContact CG-CB 3.89Å; R260-Q280 PolarHBondContact N-O 3.28Å; R260-Q280 PolarHBondContact O-N 2.88Å |
| 281 | V | 96.9 | Very high | 90.2 | Very high | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.024 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 151.4 | 173.1 | -68.7 | 0 | 0 | 0 | 0 | 111.7 | T223 L225 V243 R256 N257 Y283 V285 | T223-V281 WeakPolarHBondContact O-CG2 3.46Å; T223-V281 PolarHBondContact O-N 2.91Å; L225-V281 HydrophobicContact CD1-CG1 3.7Å; V243-V281 HydrophobicContact CB-CG1 4.3Å; V243-V281 HydrophobicContact CG2-CG1 3.76Å; R256-V281 HydrophobicContact CB-CB 4.06Å; R256-V281 HydrophobicContact CB-CG1 3.86Å; N257-V281 WeakPolarHBondContact O-CA 3.33Å; V281-Y283 VanDerWaalsContact C-N 3.34Å; V281-Y283 WeakPolarHBondContact CG2-O 3.1Å; V281-Y283 PolarHBondContact O-N 3.06Å; V281-V285 HydrophobicContact CG2-CG2 4.19Å |
| 282 | S | 91.9 | Very high | 90.8 | Very high | 50 Ų | 50 | 45.6 Ų | 45.6 | 35% | 0.35 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -68.7 | -31.6 | -178.4 | -56.6 | 0 | 0 | 0 | 0 | 113.6 | N257 K259 | N257-S282 PolarHBondContact O-N 3.46Å; N257-S282 PolarHBondContact O-OG 2.81Å; K259-S282 PolarHBondContact N-OG 3.36Å |
| 283 | Y | 86.1 | Confident | 91.2 | Very high | 174 Ų | 174 | 43.5 Ų | 43.5 | 68% | 0.682 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -130.2 | 147.2 | 178.4 | -66.3 | -76.4 | 0 | 0 | 0 | 110.5 | V281 | V281-Y283 VanDerWaalsContact C-N 3.34Å; V281-Y283 WeakPolarHBondContact CG2-O 3.1Å; V281-Y283 PolarHBondContact O-N 3.06Å |
| 284 | R | 85.3 | Confident | 91.5 | Very high | 179 Ų | 179 | 40.8 Ų | 40.8 | 68% | 0.675 | 19% | 0.191 | S | C | * | . | P | Polyproline II helix | trans | -55.8 | 140.4 | 179.6 | -66.7 | -177.5 | 175.6 | 161.4 | 0.3 | 111.1 | N222 T223 R256 | N222-R284 CarbonylContact O-C 3.5Å; N222-R284 VanDerWaalsContact O-CA 3.28Å; N222-R284 WeakPolarHBondContact O-CA 3.5Å; T223-R284 HydrophobicContact CG2-CB 4.47Å; T223-R284 HydrophobicContact CG2-CG 3.63Å; R256-R284 PolarHBondContact NE-O 3.02Å; R256-R284 VanDerWaalsContact NE-O 3.13Å; R256-R284 PolarHBondContact NH2-O 2.93Å |
| 285 | V | 87.2 | Confident | 91.4 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.024 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -80.1 | 124.9 | 168.9 | -179.1 | 0 | 0 | 0 | 0 | 107.4 | L219 N222 F245 M254 R256 V281 F287 I291 | L219-V285 HydrophobicContact CD1-CB 4.47Å; L219-V285 HydrophobicContact CD1-CG2 4.09Å; L219-V285 HydrophobicContact CD2-CG1 3.95Å; N222-V285 PolarHBondContact O-N 3.09Å; F245-V285 HydrophobicContact CE1-CG2 4.46Å; F245-V285 HydrophobicContact CE2-CG1 4.41Å; F245-V285 HydrophobicContact CE2-CG2 3.79Å; F245-V285 HydrophobicContact CZ-CG1 4.37Å; F245-V285 HydrophobicContact CZ-CG2 3.61Å; M254-V285 HydrophobicContact SD-CG1 3.93Å; R256-V285 HydrophobicContact CG-CG2 4.29Å; V281-V285 HydrophobicContact CG2-CG2 4.19Å; V285-F287 HydrophobicContact CG1-CD1 4.42Å; V285-I291 HydrophobicContact CG1-CG2 3.47Å; V285-I291 VanDerWaalsContact CG1-CG2 3.47Å |
| 286 | T | 83.4 | Confident | 91.2 | Very high | 91 Ų | 91 | 39.1 Ų | 39.1 | 56% | 0.558 | 19% | 0.186 | S | C | * | . | P | Polyproline II helix | trans | -81.5 | 121.1 | 173.7 | -51.6 | 0 | 0 | 0 | 0 | 108 | ||
| 287 | F | 82.8 | Confident | 90.8 | Very high | 31 Ų | 31 | 39.3 Ų | 39.3 | 14% | 0.136 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -74.8 | 144.6 | 178.4 | -62.5 | -24.6 | 0 | 0 | 0 | 111.4 | Q175 L219 N222 V285 I291 R293 | Q175-F287 HydrophobicContact CB-CD2 3.91Å; Q175-F287 HydrophobicContact CG-CB 4.34Å; Q175-F287 HydrophobicContact CG-CD2 4.13Å; L219-F287 HydrophobicContact CD2-CD1 4.35Å; L219-F287 HydrophobicContact CD2-CE1 3.86Å; L219-F287 HydrophobicContact CG-CE1 4.46Å; N222-F287 HydrophobicContact CB-CE1 4.06Å; N222-F287 HydrophobicContact CB-CE2 4.4Å; N222-F287 HydrophobicContact CB-CZ 3.79Å; V285-F287 HydrophobicContact CG1-CD1 4.42Å; F287-I291 CarbonylContact C-O 3.55Å; F287-I291 WeakPolarHBondContact CA-O 3.37Å; F287-I291 WeakPolarHBondContact CB-O 3.25Å; F287-R293 HydrophobicContact CE1-CB 4.46Å; F287-R293 HydrophobicContact CE2-CG 4.39Å; F287-R293 HydrophobicContact CZ-CB 3.98Å; F287-R293 HydrophobicContact CZ-CG 4.19Å |
| 288 | S | 80 | Confident | 90 | Very high | 46 Ų | 46 | 45.3 Ų | 45.3 | 32% | 0.322 | 22% | 0.216 | S | C | . | . | trans | -143.7 | -172.4 | 175.7 | 69.4 | 0 | 0 | 0 | 0 | 108.8 | D290 I291 R292 | S288-D290 PolarHBondContact O-N 2.88Å; S288-D290 PolarHBondContact OG-N 3.16Å; S288-I291 PolarHBondContact N-O 3.4Å; S288-I291 VanDerWaalsContact O-O 3.04Å; S288-I291 PolarHBondContact OG-N 3.14Å; S288-R292 WeakPolarHBondContact O-CG 3.48Å; S288-R292 PolarHBondContact O-NE 3.48Å | ||
| 289 | D | 78.8 | Confident | 89 | Confident | 65 Ų | 65 | 47.2 Ų | 47.2 | 35% | 0.348 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -70.7 | -23.3 | 172.5 | -69.3 | -21.1 | 0 | 0 | 0 | 112.5 | K103 V182 R292 | K103-D289 IonicContact NZ-OD1 3.32Å; V182-D289 HydrophobicContact CB-CB 4.35Å; V182-D289 HydrophobicContact CG2-CB 3.63Å; D289-R292 IonicContact OD1-CZ 3.53Å; D289-R292 IonicContact OD1-NE 3.55Å; D289-R292 IonicContact OD1-NH2 3.76Å; D289-R292 PolarHBondContact OD1-NH2 3.21Å |
| 290 | D | 85.4 | Confident | 88.1 | Confident | 32 Ų | 32 | 52.6 Ų | 52.6 | 17% | 0.171 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -91.2 | -16.3 | 177 | -71.1 | -68 | 0 | 0 | 0 | 113.9 | K198 A199 P202 L253 S288 | K198-D290 WeakPolarHBondContact CE-OD1 3.33Å; K198-D290 WeakPolarHBondContact CE-OD2 3.1Å; K198-D290 WeakPolarHBondContact CG-OD1 3.39Å; K198-D290 IonicContact NZ-OD2 2.74Å; A199-D290 WeakPolarHBondContact CB-OD1 3.44Å; A199-D290 PolarHBondContact N-OD1 2.83Å; P202-D290 WeakPolarHBondContact CA-O 3.43Å; P202-D290 WeakPolarHBondContact CB-O 3.46Å; L253-D290 HydrophobicContact CD2-CB 3.36Å; S288-D290 PolarHBondContact O-N 2.88Å; S288-D290 PolarHBondContact OG-N 3.16Å |
| 291 | I | 91.6 | Very high | 87.4 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -136.7 | 109.9 | -176.3 | -53.8 | 176.3 | 0 | 0 | 0 | 109.9 | P202 L219 F245 L253 M254 V285 F287 S288 | P202-I291 CarbonylContact O-C 3.4Å; P202-I291 WeakPolarHBondContact O-CA 3.34Å; L219-I291 HydrophobicContact CD2-CG2 3.78Å; F245-I291 HydrophobicContact CB-CD1 3.71Å; F245-I291 HydrophobicContact CB-CG1 4.03Å; F245-I291 HydrophobicContact CB-CG2 4.4Å; F245-I291 HydrophobicContact CD1-CG2 4.16Å; F245-I291 HydrophobicContact CG-CD1 4.41Å; F245-I291 HydrophobicContact CG-CG2 4.31Å; L253-I291 HydrophobicContact CD2-CD1 3.86Å; L253-I291 HydrophobicContact CD2-CG1 3.89Å; L253-I291 HydrophobicContact CG-CD1 4.15Å; M254-I291 HydrophobicContact CB-CD1 3.66Å; M254-I291 HydrophobicContact CE-CD1 3.87Å; M254-I291 HydrophobicContact SD-CD1 4.17Å; V285-I291 HydrophobicContact CG1-CG2 3.47Å; V285-I291 VanDerWaalsContact CG1-CG2 3.47Å; F287-I291 CarbonylContact C-O 3.55Å; F287-I291 WeakPolarHBondContact CA-O 3.37Å; F287-I291 WeakPolarHBondContact CB-O 3.25Å; S288-I291 PolarHBondContact N-O 3.4Å; S288-I291 VanDerWaalsContact O-O 3.04Å; S288-I291 PolarHBondContact OG-N 3.14Å |
| 292 | R | 91.8 | Very high | 87 | Confident | 23 Ų | 23 | 56.5 Ų | 56.5 | 9% | 0.087 | 30% | 0.303 | C | S | . | . | trans | -148.3 | 153.9 | -177.9 | -63.2 | -171.9 | 171.4 | -130.5 | 4.8 | 110.5 | K180 P202 W203 S288 D289 | K180-R292 WeakPolarHBondContact O-CD 3.43Å; P202-R292 CarbonylContact C-O 3.6Å; P202-R292 HydrophobicContact CB-CB 4.01Å; P202-R292 HydrophobicContact CB-CG 4.26Å; P202-R292 HydrophobicContact CG-CB 4.01Å; P202-R292 HydrophobicContact CG-CG 4.42Å; P202-R292 PolarHBondContact O-N 2.91Å; P202-R292 VanDerWaalsContact O-O 3.12Å; W203-R292 WeakPolarHBondContact CA-O 3.32Å; W203-R292 VanDerWaalsContact CB-O 3.32Å; W203-R292 WeakPolarHBondContact CB-O 3.32Å; W203-R292 PolarHBondContact N-O 2.78Å; S288-R292 WeakPolarHBondContact O-CG 3.48Å; S288-R292 PolarHBondContact O-NE 3.48Å; D289-R292 IonicContact OD1-CZ 3.53Å; D289-R292 IonicContact OD1-NE 3.55Å; D289-R292 IonicContact OD1-NH2 3.76Å; D289-R292 PolarHBondContact OD1-NH2 3.21Å | ||
| 293 | R | 93.8 | Very high | 86.9 | Confident | 60 Ų | 60 | 56.9 Ų | 56.9 | 23% | 0.226 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 146.7 | 174.1 | 73.5 | -171.3 | -166.9 | 97.8 | -3.4 | 111.7 | A176 C178 G179 L219 I220 F287 | A176-R293 PolarHBondContact O-NH2 2.69Å; C178-R293 CarbonylContact C-O 3.59Å; C178-R293 WeakPolarHBondContact CA-O 3.05Å; C178-R293 HydrophobicContact CB-CG 3.76Å; G179-R293 PolarHBondContact N-O 3.45Å; L219-R293 CarbonylContact O-C 3.5Å; L219-R293 VanDerWaalsContact O-CA 3.22Å; L219-R293 WeakPolarHBondContact O-CA 3.35Å; I220-R293 PolarHBondContact O-NH1 3.46Å; F287-R293 HydrophobicContact CE1-CB 4.46Å; F287-R293 HydrophobicContact CE2-CG 4.39Å; F287-R293 HydrophobicContact CZ-CB 3.98Å; F287-R293 HydrophobicContact CZ-CG 4.19Å |
| 294 | I | 96.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -82.6 | 158.9 | 167.4 | -161 | 161.9 | 0 | 0 | 0 | 111.1 | W203 T218 L219 I220 V376 W384 L386 | W203-I294 HydrophobicContact CB-CB 3.84Å; W203-I294 HydrophobicContact CB-CG2 4.46Å; W203-I294 HydrophobicContact CD2-CB 3.82Å; W203-I294 HydrophobicContact CD2-CD1 3.86Å; W203-I294 HydrophobicContact CD2-CG1 3.96Å; W203-I294 HydrophobicContact CE3-CB 4.06Å; W203-I294 HydrophobicContact CE3-CG1 4.2Å; W203-I294 HydrophobicContact CG-CB 3.73Å; W203-I294 HydrophobicContact CG-CD1 4.02Å; W203-I294 HydrophobicContact CG-CG1 4.25Å; W203-I294 HydrophobicContact CZ2-CD1 4.15Å; T218-I294 HydrophobicContact CG2-CB 4.29Å; T218-I294 HydrophobicContact CG2-CG2 3.54Å; L219-I294 PolarHBondContact O-N 2.85Å; I220-I294 HydrophobicContact CG2-CG2 4.15Å; I294-V376 HydrophobicContact CD1-CB 3.93Å; I294-V376 HydrophobicContact CD1-CG1 3.21Å; I294-W384 HydrophobicContact CG1-CB 4.46Å; I294-W384 VanDerWaalsContact CG1-O 3.24Å; I294-W384 WeakPolarHBondContact CG1-O 3.35Å; I294-L386 HydrophobicContact CD1-CB 3.96Å; I294-L386 HydrophobicContact CG1-CB 4.36Å; I294-L386 HydrophobicContact CG2-CB 3.79Å |
| 295 | C | 95.3 | Very high | 87.5 | Confident | 4 Ų | 4 | 49.3 Ų | 49.3 | 3% | 0.027 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -78.1 | 144.3 | 169.8 | -61.6 | 0 | 0 | 0 | 0 | 111.1 | C178 T383 W384 Y385 L386 | C178-C295 HydrophobicContact CB-CB 3.95Å; C178-C295 WeakPolarHBondContact CB-SG 3.26Å; C178-C295 PolarHBondContact O-SG 3.35Å; C178-C295 WeakPolarHBondContact SG-CA 3.19Å; C178-C295 WeakPolarHBondContact SG-CB 3.35Å; C178-C295 CovalentContact SG-SG 2.03Å; C178-C295 PolarHBondContact SG-SG 2.97Å; C295-T383 HydrophobicContact CB-CG2 4.41Å; C295-T383 WeakPolarHBondContact SG-CG2 3.41Å; C295-W384 WeakPolarHBondContact CB-O 3.44Å; C295-W384 PolarHBondContact N-O 2.86Å; C295-W384 VanDerWaalsContact N-O 3.12Å; C295-Y385 HydrophobicContact CB-CD1 3.45Å; C295-Y385 VanDerWaalsContact CB-CD1 3.45Å; C295-Y385 HydrophobicContact CB-CE1 3.56Å; C295-Y385 HydrophobicContact CB-CG 4.07Å; C295-Y385 WeakPolarHBondContact O-CA 3.43Å; C295-L386 PolarHBondContact O-N 2.76Å |
| 296 | L | 93.6 | Very high | 87.7 | Confident | 24 Ų | 24 | 54.2 Ų | 54.2 | 13% | 0.126 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -95 | 132.6 | 166.1 | -67.6 | 174.6 | 0 | 0 | 0 | 108.2 | I220 L386 V408 I415 | I220-L296 HydrophobicContact CB-CD1 4.39Å; I220-L296 HydrophobicContact CD1-CD1 4.4Å; I220-L296 HydrophobicContact CG2-CD1 4.5Å; I220-L296 HydrophobicContact CG2-CD2 3.92Å; I220-L296 HydrophobicContact CG2-CG 4.28Å; L296-L386 HydrophobicContact CD2-CB 4.42Å; L296-L386 HydrophobicContact CD2-CD2 4.25Å; L296-V408 HydrophobicContact CD2-CG1 4.05Å; L296-I415 HydrophobicContact CD1-CG2 3.79Å; L296-I415 HydrophobicContact CD2-CD1 4.37Å |
| 297 | P | 91.4 | Very high | 88.1 | Confident | 4 Ų | 4 | 52.7 Ų | 52.7 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 158.9 | 174.3 | 30 | -35 | 0 | 0 | 0 | 111 | A301 F303 Y385 L386 V408 T409 R412 | P297-A301 HydrophobicContact CB-CB 3.99Å; P297-F303 HydrophobicContact CB-CE2 4.25Å; P297-F303 HydrophobicContact CB-CZ 4.09Å; P297-F303 HydrophobicContact CG-CE2 4.38Å; P297-Y385 HydrophobicContact CB-CD1 4.38Å; P297-L386 WeakPolarHBondContact CD-O 3.34Å; P297-L386 WeakPolarHBondContact CG-O 3.16Å; P297-V408 HydrophobicContact CG-CG1 4.3Å; P297-T409 HydrophobicContact CB-CG2 3.88Å; P297-T409 HydrophobicContact CG-CG2 3.55Å; P297-R412 WeakPolarHBondContact O-CD 3.26Å; P297-R412 WeakPolarHBondContact O-CG 3.42Å; P297-R412 PolarHBondContact O-NE 2.83Å; P297-R412 VanDerWaalsContact O-NE 3.15Å |
| 298 | E | 80.8 | Confident | 88.5 | Confident | 126 Ų | 126 | 53.1 Ų | 53.1 | 59% | 0.589 | 30% | 0.301 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 153.4 | 168.2 | -68.5 | -56.5 | 144.4 | 0 | 0 | 111.1 | S300 A301 | E298-S300 PolarHBondContact O-N 3.03Å; E298-A301 VanDerWaalsContact O-CB 3.25Å; E298-A301 WeakPolarHBondContact O-CB 3.32Å; E298-A301 PolarHBondContact O-N 3.05Å |
| 299 | A | 79.2 | Confident | 89.2 | Confident | 41 Ų | 41 | 50.9 Ų | 50.9 | 34% | 0.339 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -29.4 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | A301 R412 | A299-A301 VanDerWaalsContact C-N 3.33Å; A299-R412 HydrophobicContact CB-CB 3.91Å; A299-R412 HydrophobicContact CB-CG 4.09Å |
| 300 | S | 79.4 | Confident | 89.9 | Confident | 112 Ų | 112 | 48.8 Ų | 48.8 | 78% | 0.783 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -6.8 | 177.3 | 59.9 | 0 | 0 | 0 | 0 | 114.2 | E298 | E298-S300 PolarHBondContact O-N 3.03Š|
| 301 | A | 84.4 | Confident | 90.3 | Very high | 33 Ų | 33 | 47.7 Ų | 47.7 | 27% | 0.273 | 27% | 0.268 | S | S | . | . | trans | -67.5 | 140.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | P297 E298 A299 F303 T409 | P297-A301 HydrophobicContact CB-CB 3.99Å; E298-A301 VanDerWaalsContact O-CB 3.25Å; E298-A301 WeakPolarHBondContact O-CB 3.32Å; E298-A301 PolarHBondContact O-N 3.05Å; A299-A301 VanDerWaalsContact C-N 3.33Å; A301-F303 HydrophobicContact CB-CE2 4.41Å; A301-F303 HydrophobicContact CB-CZ 4.46Å; A301-T409 HydrophobicContact CB-CG2 4.05Å; A301-T409 WeakPolarHBondContact O-CG2 3.12Å | ||
| 302 | S | 86.9 | Confident | 90.5 | Very high | 86 Ų | 86 | 47.8 Ų | 47.8 | 60% | 0.601 | 27% | 0.268 | S | S | * | . | trans | -126.2 | 139.4 | 178.1 | 67.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 303 | F | 90.4 | Very high | 90.8 | Very high | 58 Ų | 58 | 46.9 Ų | 46.9 | 25% | 0.254 | 27% | 0.266 | S | S | . | . | trans | -116 | 123.7 | 177.9 | -59.9 | -79.1 | 0 | 0 | 0 | 109.3 | P297 A301 L307 I334 T377 I387 T409 | P297-F303 HydrophobicContact CB-CE2 4.25Å; P297-F303 HydrophobicContact CB-CZ 4.09Å; P297-F303 HydrophobicContact CG-CE2 4.38Å; A301-F303 HydrophobicContact CB-CE2 4.41Å; A301-F303 HydrophobicContact CB-CZ 4.46Å; F303-L307 HydrophobicContact CB-CD2 3.96Å; F303-L307 HydrophobicContact CD1-CD2 3.75Å; F303-L307 HydrophobicContact CG-CD2 4.29Å; F303-I334 HydrophobicContact CB-CD1 3.59Å; F303-T377 HydrophobicContact CD1-CG2 3.92Å; F303-T377 HydrophobicContact CE1-CG2 3.63Å; F303-T377 HydrophobicContact CZ-CG2 4.47Å; F303-I387 HydrophobicContact CD1-CG2 4.08Å; F303-I387 HydrophobicContact CD2-CB 3.96Å; F303-I387 HydrophobicContact CD2-CG2 3.82Å; F303-I387 HydrophobicContact CE1-CG2 3.62Å; F303-I387 HydrophobicContact CE2-CB 3.83Å; F303-I387 HydrophobicContact CE2-CG2 3.33Å; F303-I387 HydrophobicContact CG-CB 4.47Å; F303-I387 HydrophobicContact CG-CD1 4.31Å; F303-I387 HydrophobicContact CG-CG2 4.17Å; F303-I387 HydrophobicContact CZ-CB 4.24Å; F303-I387 HydrophobicContact CZ-CG2 3.23Å; F303-T409 HydrophobicContact CE2-CG2 3.87Å | ||
| 304 | Q | 89.7 | Confident | 90.9 | Very high | 126 Ų | 126 | 44.1 Ų | 44.1 | 59% | 0.589 | 26% | 0.256 | S | S | * | . | trans | -77.9 | 150.9 | -172.4 | -62.3 | -59.5 | -35.6 | 0 | 0 | 111.8 | L307 | Q304-L307 WeakPolarHBondContact O-CB 3.41Å; Q304-L307 PolarHBondContact O-N 3.38Å | ||
| 305 | P | 93.9 | Very high | 90.7 | Very high | 67 Ų | 67 | 44.3 Ų | 44.3 | 44% | 0.435 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 155 | 168.7 | -25.7 | 35 | 0 | 0 | 0 | 112.1 | L307 | P305-L307 PolarHBondContact O-N 2.79Å; P305-L307 VanDerWaalsContact O-N 3.09Å |
| 306 | N | 92.3 | Very high | 90.4 | Very high | 107 Ų | 107 | 44.4 Ų | 44.4 | 57% | 0.572 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | -0.7 | -176.9 | -165.8 | 39.2 | 0 | 0 | 0 | 114.9 | T308 K333 I334 | N306-T308 PolarHBondContact O-N 2.81Å; N306-K333 VanDerWaalsContact OD1-CD 3.31Å; N306-K333 WeakPolarHBondContact OD1-CD 3.23Å; N306-K333 WeakPolarHBondContact OD1-CE 3.37Å; N306-K333 PolarHBondContact OD1-NZ 2.81Å; N306-I334 PolarHBondContact N-O 2.83Å |
| 307 | L | 91.2 | Very high | 90.1 | Very high | 60 Ų | 60 | 47.5 Ų | 47.5 | 31% | 0.314 | 28% | 0.275 | S | S | . | . | trans | -59.2 | 132.1 | 170 | -179.9 | 65.4 | 0 | 0 | 0 | 110 | F303 Q304 P305 V309 K333 I334 T377 | F303-L307 HydrophobicContact CB-CD2 3.96Å; F303-L307 HydrophobicContact CD1-CD2 3.75Å; F303-L307 HydrophobicContact CG-CD2 4.29Å; Q304-L307 WeakPolarHBondContact O-CB 3.41Å; Q304-L307 PolarHBondContact O-N 3.38Å; P305-L307 PolarHBondContact O-N 2.79Å; P305-L307 VanDerWaalsContact O-N 3.09Å; L307-V309 HydrophobicContact CD2-CG1 4.33Å; L307-V309 HydrophobicContact CG-CG1 4.22Å; L307-K333 VanDerWaalsContact O-CA 3.32Å; L307-K333 WeakPolarHBondContact O-CA 3.42Å; L307-I334 HydrophobicContact CB-CD1 3.99Å; L307-I334 HydrophobicContact CB-CG1 4.24Å; L307-I334 HydrophobicContact CD2-CD1 4Å; L307-I334 HydrophobicContact CG-CD1 4.46Å; L307-I334 PolarHBondContact O-N 3.24Å; L307-T377 HydrophobicContact CD2-CG2 4.27Å | ||
| 308 | T | 91.3 | Very high | 89.7 | Confident | 39 Ų | 39 | 54.8 Ų | 54.8 | 24% | 0.239 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 129.8 | 174.3 | -66.7 | 0 | 0 | 0 | 0 | 110.3 | N306 Y310 R331 T377 | N306-T308 PolarHBondContact O-N 2.81Å; T308-Y310 HydrophobicContact CG2-CE2 4Å; T308-R331 HydrophobicContact CG2-CG 3.57Å; T308-R331 PolarHBondContact OG1-NH2 3.4Å; T308-T377 PolarHBondContact O-OG1 2.8Å |
| 309 | V | 94.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 161.4 | -175.8 | -61.8 | 0 | 0 | 0 | 0 | 109.1 | L307 V332 I334 A357 L375 V376 I387 | L307-V309 HydrophobicContact CD2-CG1 4.33Å; L307-V309 HydrophobicContact CG-CG1 4.22Å; V309-V332 HydrophobicContact CG2-CG2 3.58Å; V309-V332 WeakPolarHBondContact CG2-O 3.42Å; V309-V332 PolarHBondContact N-O 3.39Å; V309-V332 PolarHBondContact O-N 3.35Å; V309-V332 VanDerWaalsContact O-O 3.06Å; V309-I334 HydrophobicContact CG1-CD1 4.05Å; V309-I334 HydrophobicContact CG1-CG1 3.78Å; V309-I334 HydrophobicContact CG2-CG1 4.36Å; V309-A357 HydrophobicContact CG2-CB 4.22Å; V309-L375 HydrophobicContact CB-CD1 4.04Å; V309-L375 HydrophobicContact CB-CD2 4.48Å; V309-L375 HydrophobicContact CB-CG 4.19Å; V309-L375 HydrophobicContact CG2-CD1 3.69Å; V309-L375 HydrophobicContact CG2-CD2 4.21Å; V309-L375 HydrophobicContact CG2-CG 4.18Å; V309-V376 CarbonylContact C-O 3.47Å; V309-V376 WeakPolarHBondContact CA-O 3.34Å; V309-I387 HydrophobicContact CB-CD1 4.45Å; V309-I387 HydrophobicContact CG1-CD1 3.57Å |
| 310 | Y | 94.2 | Very high | 90.1 | Very high | 20 Ų | 20 | 57.1 Ų | 57.1 | 8% | 0.078 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 132.2 | -174.6 | -63.7 | -101.6 | 0 | 0 | 0 | 109.7 | L185 W201 T308 A330 R331 L375 V376 W384 | L185-Y310 HydrophobicContact CD2-CE1 4.14Å; W201-Y310 VanDerWaalsContact CH2-CB 3.47Å; W201-Y310 AromaticContact CH2-CD1 3.8Å; W201-Y310 HydrophobicContact CH2-CD1 3.8Å; W201-Y310 HydrophobicContact CH2-CD2 4.29Å; W201-Y310 AromaticContact CH2-CG 3.6Å; W201-Y310 HydrophobicContact CH2-CG 3.6Å; W201-Y310 AromaticContact CZ2-CD1 3.96Å; W201-Y310 HydrophobicContact CZ2-CD1 3.96Å; W201-Y310 HydrophobicContact CZ2-CG 4.18Å; T308-Y310 HydrophobicContact CG2-CE2 4Å; Y310-A330 WeakPolarHBondContact CA-O 3.37Å; Y310-R331 HydrophobicContact CD1-CB 4.17Å; Y310-R331 HydrophobicContact CE1-CB 3.99Å; Y310-R331 HydrophobicContact CE1-CG 4.12Å; Y310-L375 WeakPolarHBondContact O-CA 3.47Å; Y310-V376 PolarHBondContact N-O 3.44Å; Y310-V376 PolarHBondContact O-N 2.93Å; Y310-W384 AromaticContact CD2-CH2 3.72Å; Y310-W384 HydrophobicContact CD2-CH2 3.72Å; Y310-W384 AromaticContact CD2-CZ3 3.56Å; Y310-W384 HydrophobicContact CD2-CZ3 3.56Å; Y310-W384 AromaticContact CE2-CH2 3.82Å; Y310-W384 HydrophobicContact CE2-CH2 3.82Å; Y310-W384 HydrophobicContact CE2-CZ3 4.07Å; Y310-W384 HydrophobicContact CG-CH2 4.27Å; Y310-W384 HydrophobicContact CG-CZ3 4.14Å |
| 311 | I | 94.4 | Very high | 90.4 | Very high | 10 Ų | 10 | 52.1 Ų | 52.1 | 5% | 0.051 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 146.7 | 168.3 | 53.8 | 178.8 | 0 | 0 | 0 | 109.7 | E329 A330 V332 A366 L375 Y405 | I311-E329 WeakPolarHBondContact O-CA 3.32Å; I311-A330 HydrophobicContact CD1-CB 4.11Å; I311-A330 HydrophobicContact CG1-CB 3.77Å; I311-A330 PolarHBondContact N-O 3.02Å; I311-A330 PolarHBondContact O-N 3.09Å; I311-V332 HydrophobicContact CD1-CG1 4.36Å; I311-V332 HydrophobicContact CG2-CG2 4.46Å; I311-A366 HydrophobicContact CD1-CB 4.22Å; I311-L375 HydrophobicContact CB-CD1 4.41Å; I311-L375 HydrophobicContact CG2-CB 4.32Å; I311-L375 HydrophobicContact CG2-CD1 3.15Å; I311-L375 HydrophobicContact CG2-CG 4.32Å; I311-Y405 HydrophobicContact CG2-CE1 3.69Å; I311-Y405 VanDerWaalsContact CG2-OH 3.31Å; I311-Y405 WeakPolarHBondContact CG2-OH 3.4Å |
| 312 | T | 95.6 | Very high | 90.7 | Very high | 4 Ų | 4 | 57.7 Ų | 57.7 | 3% | 0.025 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 147.4 | 174.6 | 55.7 | 0 | 0 | 0 | 0 | 111.1 | W201 Q204 R328 E329 P374 | W201-T312 HydrophobicContact CB-CG2 4.27Å; W201-T312 VanDerWaalsContact CD1-CG2 3.43Å; W201-T312 HydrophobicContact CD2-CG2 3.54Å; W201-T312 HydrophobicContact CE3-CG2 4.29Å; W201-T312 HydrophobicContact CG-CG2 3.5Å; W201-T312 VanDerWaalsContact CG-CG2 3.5Å; W201-T312 HydrophobicContact CZ2-CG2 4.22Å; Q204-T312 PolarHBondContact OE1-O 3.03Å; Q204-T312 VanDerWaalsContact OE1-O 3.11Å; Q204-T312 PolarHBondContact OE1-OG1 2.78Å; T312-R328 WeakPolarHBondContact CA-O 3.48Å; T312-R328 WeakPolarHBondContact CB-O 3.35Å; T312-E329 HydrophobicContact CG2-CB 3.86Å; T312-P374 VanDerWaalsContact OG1-CG 3.32Å; T312-P374 WeakPolarHBondContact OG1-CG 3.17Å |
| 313 | G | 96.4 | Very high | 91 | Very high | 3 Ų | 3 | 55.9 Ų | 55.9 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.6 | -179.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L327 R328 D370 | G313-L327 WeakPolarHBondContact O-CD1 3.16Å; G313-R328 PolarHBondContact N-O 2.81Å; G313-R328 VanDerWaalsContact N-O 3.09Å; G313-R328 PolarHBondContact O-N 2.88Å; G313-D370 WeakPolarHBondContact CA-OD1 3.38Å |
| 314 | F | 96.7 | Very high | 91.1 | Very high | 3 Ų | 3 | 55.8 Ų | 55.8 | 1% | 0.013 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -114.1 | 14.6 | -176.3 | -59 | -82.2 | 0 | 0 | 0 | 111.1 | Q204 I249 S323 Q324 L327 D370 | Q204-F314 HydrophobicContact CG-CE2 3.86Å; Q204-F314 HydrophobicContact CG-CZ 4.39Å; I249-F314 HydrophobicContact CD1-CB 3.62Å; I249-F314 HydrophobicContact CD1-CD1 3.88Å; I249-F314 HydrophobicContact CD1-CD2 4.42Å; I249-F314 HydrophobicContact CD1-CG 3.74Å; I249-F314 HydrophobicContact CG1-CB 4.27Å; I249-F314 HydrophobicContact CG1-CD1 3.64Å; I249-F314 HydrophobicContact CG1-CD2 4.25Å; I249-F314 HydrophobicContact CG1-CE1 3.93Å; I249-F314 HydrophobicContact CG1-CG 3.81Å; I249-F314 HydrophobicContact CG1-CZ 4.36Å; F314-S323 CarbonylContact O-C 3.51Å; F314-S323 VanDerWaalsContact O-CA 3.26Å; F314-S323 WeakPolarHBondContact O-CA 3.32Å; F314-S323 WeakPolarHBondContact O-CB 3.48Å; F314-Q324 WeakPolarHBondContact CB-O 3.31Å; F314-Q324 PolarHBondContact O-N 3.3Å; F314-L327 HydrophobicContact CD1-CB 4.26Å; F314-L327 HydrophobicContact CD1-CD1 4.43Å; F314-L327 HydrophobicContact CD2-CD1 4.33Å; F314-L327 VanDerWaalsContact CE1-CA 3.5Å; F314-L327 HydrophobicContact CE1-CB 3.59Å; F314-L327 HydrophobicContact CE1-CD1 4.14Å; F314-L327 HydrophobicContact CE1-CG 4.46Å; F314-L327 HydrophobicContact CE2-CD1 4.02Å; F314-L327 HydrophobicContact CZ-CB 3.9Å; F314-L327 HydrophobicContact CZ-CD1 3.92Å; F314-L327 HydrophobicContact CZ-CG 4.4Å; F314-D370 PolarHBondContact N-OD1 3.43Å |
| 315 | G | 92.7 | Very high | 91.4 | Very high | 4 Ų | 4 | 53 Ų | 53 | 4% | 0.041 | 28% | 0.28 | C | S | . | . | trans | -68.4 | 177.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q324 R368 D370 | G315-Q324 WeakPolarHBondContact O-CG 3.42Å; G315-R368 CarbonylContact C-O 3.54Å; G315-R368 WeakPolarHBondContact CA-O 3.11Å; G315-D370 VanDerWaalsContact CA-OD1 3.31Å; G315-D370 WeakPolarHBondContact CA-OD1 3.35Å; G315-D370 PolarHBondContact N-OD1 2.84Å | ||
| 316 | A | 90.1 | Very high | 91.4 | Very high | 6 Ų | 6 | 53.1 Ų | 53.1 | 5% | 0.05 | 28% | 0.275 | C | S | . | . | trans | -65.8 | 148.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y318 G321 E322 C367 R368 | A316-Y318 VanDerWaalsContact C-N 3.28Å; A316-Y318 WeakPolarHBondContact CB-O 3.31Å; A316-Y318 PolarHBondContact O-N 3.01Å; A316-G321 VanDerWaalsContact CB-O 3.29Å; A316-G321 WeakPolarHBondContact CB-O 3.23Å; A316-E322 WeakPolarHBondContact CA-O 3.22Å; A316-C367 VanDerWaalsContact O-CB 3.23Å; A316-C367 WeakPolarHBondContact O-CB 3.35Å; A316-R368 PolarHBondContact N-O 3.23Å | ||
| 317 | L | 86.4 | Confident | 91.6 | Very high | 88 Ų | 88 | 48.1 Ų | 48.1 | 46% | 0.461 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -78.2 | -14.8 | 177.2 | -57.9 | -177.2 | 0 | 0 | 0 | 113.6 | Q324 R328 | L317-Q324 HydrophobicContact CD1-CG 4.49Å; L317-Q324 HydrophobicContact CD2-CG 3.9Å; L317-Q324 HydrophobicContact CG-CG 3.94Å; L317-R328 VanDerWaalsContact CD2-CD 3.41Å |
| 318 | Y | 83.4 | Confident | 91.6 | Very high | 158 Ų | 158 | 48.2 Ų | 48.2 | 62% | 0.62 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -155.5 | 160.8 | -179.5 | 57.9 | -90.9 | 0 | 0 | 0 | 109.3 | A316 G320 G321 | A316-Y318 VanDerWaalsContact C-N 3.28Å; A316-Y318 WeakPolarHBondContact CB-O 3.31Å; A316-Y318 PolarHBondContact O-N 3.01Å; Y318-G320 PolarHBondContact O-N 2.78Å; Y318-G321 PolarHBondContact O-N 3.23Å |
| 319 | Y | 82.8 | Confident | 91.6 | Very high | 156 Ų | 156 | 47.6 Ų | 47.6 | 61% | 0.612 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | 128.3 | 179.3 | -179.9 | -103.4 | 0 | 0 | 0 | 111.8 | G321 N395 | Y319-G321 VanDerWaalsContact C-N 3.29Å; Y319-G321 PolarHBondContact O-N 2.87Å; Y319-N395 HydrophobicContact CD2-CB 3.94Å; Y319-N395 HydrophobicContact CE2-CB 4.4Å; Y319-N395 WeakPolarHBondContact CE2-OD1 3.42Å; Y319-N395 HydrophobicContact CG-CB 4.17Å; Y319-N395 VanDerWaalsContact CZ-OD1 3.28Å |
| 320 | G | 84.3 | Confident | 91.4 | Very high | 59 Ų | 59 | 48.4 Ų | 48.4 | 61% | 0.608 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | -0.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115 | Y318 | Y318-G320 PolarHBondContact O-N 2.78Š|
| 321 | G | 86.8 | Confident | 91.2 | Very high | 7 Ų | 7 | 52.7 Ų | 52.7 | 7% | 0.072 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -78 | 173.9 | 174 | 0 | 0 | 0 | 0 | 0 | 114.1 | A316 Y318 Y319 | A316-G321 VanDerWaalsContact CB-O 3.29Å; A316-G321 WeakPolarHBondContact CB-O 3.23Å; Y318-G321 PolarHBondContact O-N 3.23Å; Y319-G321 VanDerWaalsContact C-N 3.29Å; Y319-G321 PolarHBondContact O-N 2.87Å |
| 322 | E | 90.2 | Very high | 91 | Very high | 151 Ų | 151 | 52.2 Ų | 52.2 | 71% | 0.706 | 26% | 0.259 | S | S | * | . | P | Polyproline II helix | trans | -90.9 | 154.3 | 177.9 | -68 | -62.7 | 151.3 | 0 | 0 | 112.7 | A316 Q324 | A316-E322 WeakPolarHBondContact CA-O 3.22Å; E322-Q324 PolarHBondContact O-NE2 2.79Å |
| 323 | S | 92.5 | Very high | 91 | Very high | 48 Ų | 48 | 55.1 Ų | 55.1 | 34% | 0.336 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 148 | 173.2 | 59.8 | 0 | 0 | 0 | 0 | 112.3 | F314 | F314-S323 CarbonylContact O-C 3.51Å; F314-S323 VanDerWaalsContact O-CA 3.26Å; F314-S323 WeakPolarHBondContact O-CA 3.32Å; F314-S323 WeakPolarHBondContact O-CB 3.48Å |
| 324 | Q | 94 | Very high | 91 | Very high | 56 Ų | 56 | 55.6 Ų | 55.6 | 26% | 0.262 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -95.6 | 140 | -178.9 | -56.9 | -58 | -68.1 | 0 | 0 | 111.4 | I249 F314 G315 L317 E322 E326 | I249-Q324 WeakPolarHBondContact CD1-O 3.41Å; F314-Q324 WeakPolarHBondContact CB-O 3.31Å; F314-Q324 PolarHBondContact O-N 3.3Å; G315-Q324 WeakPolarHBondContact O-CG 3.42Å; L317-Q324 HydrophobicContact CD1-CG 4.49Å; L317-Q324 HydrophobicContact CD2-CG 3.9Å; L317-Q324 HydrophobicContact CG-CG 3.94Å; E322-Q324 PolarHBondContact O-NE2 2.79Å; Q324-E326 VanDerWaalsContact C-N 3.33Å |
| 325 | N | 95.2 | Very high | 91 | Very high | 68 Ų | 68 | 56.3 Ų | 56.3 | 36% | 0.364 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -70.3 | -32.5 | 176.5 | -173.2 | 40.5 | 0 | 0 | 0 | 112.5 | K248 I249 N250 | K248-N325 VanDerWaalsContact CA-O 3.28Å; K248-N325 WeakPolarHBondContact CA-O 3.35Å; I249-N325 WeakPolarHBondContact CB-OD1 3.21Å; I249-N325 PolarHBondContact N-O 3.43Å; I249-N325 PolarHBondContact N-OD1 3.07Å; N250-N325 PolarHBondContact N-OD1 2.93Å; N250-N325 PolarHBondContact O-ND2 2.83Å; N250-N325 PolarHBondContact O-OD1 3.02Å |
| 326 | E | 95.1 | Very high | 91.3 | Very high | 68 Ų | 68 | 57.6 Ų | 57.6 | 32% | 0.318 | 29% | 0.285 | S | S | . | . | B | Isolated β-bridge | trans | -95.5 | 134.5 | -178 | -59.9 | -167.9 | 129.8 | 0 | 0 | 110.8 | I195 T247 K248 Q324 R328 | I195-E326 WeakPolarHBondContact CD1-OE2 3.34Å; I195-E326 HydrophobicContact CG2-CB 4.36Å; T247-E326 WeakPolarHBondContact O-CA 3.25Å; K248-E326 WeakPolarHBondContact CE-OE1 3.24Å; K248-E326 HydrophobicContact CG-CG 4.46Å; K248-E326 IonicContact NZ-OE1 2.87Å; K248-E326 PolarHBondContact NZ-OE1 2.81Å; Q324-E326 VanDerWaalsContact C-N 3.33Å; E326-R328 PolarHBondContact O-N 2.84Å |
| 327 | L | 95.3 | Very high | 91.5 | Very high | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | trans | -60.5 | 136.7 | 178.9 | -179.4 | 59.1 | 0 | 0 | 0 | 110 | A196 W201 Q204 T247 G313 F314 | A196-L327 HydrophobicContact CB-CB 4.15Å; A196-L327 HydrophobicContact CB-CD2 3.98Å; A196-L327 HydrophobicContact CB-CG 3.79Å; A196-L327 PolarHBondContact N-O 2.75Å; W201-L327 HydrophobicContact CB-CD2 4.19Å; Q204-L327 HydrophobicContact CB-CD2 4.06Å; Q204-L327 HydrophobicContact CG-CD1 3.61Å; Q204-L327 HydrophobicContact CG-CD2 3.94Å; Q204-L327 HydrophobicContact CG-CG 4.44Å; T247-L327 HydrophobicContact CG2-CD2 4.32Å; T247-L327 PolarHBondContact O-N 2.85Å; G313-L327 WeakPolarHBondContact O-CD1 3.16Å; F314-L327 HydrophobicContact CD1-CB 4.26Å; F314-L327 HydrophobicContact CD1-CD1 4.43Å; F314-L327 HydrophobicContact CD2-CD1 4.33Å; F314-L327 VanDerWaalsContact CE1-CA 3.5Å; F314-L327 HydrophobicContact CE1-CB 3.59Å; F314-L327 HydrophobicContact CE1-CD1 4.14Å; F314-L327 HydrophobicContact CE1-CG 4.46Å; F314-L327 HydrophobicContact CE2-CD1 4.02Å; F314-L327 HydrophobicContact CZ-CB 3.9Å; F314-L327 HydrophobicContact CZ-CD1 3.92Å; F314-L327 HydrophobicContact CZ-CG 4.4Å | ||
| 328 | R | 92.6 | Very high | 92 | Very high | 62 Ų | 62 | 62.8 Ų | 62.8 | 23% | 0.234 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 156.5 | 173.6 | -66.4 | -170.9 | 169.1 | -126.3 | 5.2 | 112.3 | S192 G193 V194 T312 G313 L317 E326 | S192-R328 PolarHBondContact O-NH1 2.83Å; G193-R328 PolarHBondContact O-NH1 2.71Å; V194-R328 CarbonylContact O-C 3.46Å; V194-R328 WeakPolarHBondContact O-CA 3.24Å; T312-R328 WeakPolarHBondContact CA-O 3.48Å; T312-R328 WeakPolarHBondContact CB-O 3.35Å; G313-R328 PolarHBondContact N-O 2.81Å; G313-R328 VanDerWaalsContact N-O 3.09Å; G313-R328 PolarHBondContact O-N 2.88Å; L317-R328 VanDerWaalsContact CD2-CD 3.41Å; E326-R328 PolarHBondContact O-N 2.84Å |
| 329 | E | 91.2 | Very high | 92.7 | Very high | 27 Ų | 27 | 57.2 Ų | 57.2 | 13% | 0.126 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 142.6 | 176.2 | 65.2 | -179.7 | -130.5 | 0 | 0 | 111.2 | G193 V194 A196 W201 I311 T312 | G193-E329 CarbonylContact C-O 3.6Å; G193-E329 VanDerWaalsContact CA-O 3.24Å; G193-E329 WeakPolarHBondContact CA-O 3.08Å; V194-E329 HydrophobicContact CG2-CG 3.66Å; V194-E329 PolarHBondContact N-O 2.91Å; V194-E329 VanDerWaalsContact N-O 3.09Å; V194-E329 PolarHBondContact O-N 3.27Å; A196-E329 HydrophobicContact CB-CB 4.36Å; A196-E329 HydrophobicContact CB-CG 4.38Å; W201-E329 HydrophobicContact CZ2-CB 4.35Å; W201-E329 PolarHBondContact NE1-OE2 2.95Å; I311-E329 WeakPolarHBondContact O-CA 3.32Å; T312-E329 HydrophobicContact CG2-CB 3.86Å |
| 330 | A | 88.9 | Confident | 93.4 | Very high | 17 Ų | 17 | 49.8 Ų | 49.8 | 14% | 0.14 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 146.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111 | Y310 I311 | Y310-A330 WeakPolarHBondContact CA-O 3.37Å; I311-A330 HydrophobicContact CD1-CB 4.11Å; I311-A330 HydrophobicContact CG1-CB 3.77Å; I311-A330 PolarHBondContact N-O 3.02Å; I311-A330 PolarHBondContact O-N 3.09Å |
| 331 | R | 89.7 | Confident | 94 | Very high | 109 Ų | 109 | 51 Ų | 51 | 41% | 0.411 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 119.6 | 177.3 | 177.8 | -171.4 | 157.4 | -176.3 | 0.1 | 109.3 | T308 Y310 Y359 | T308-R331 HydrophobicContact CG2-CG 3.57Å; T308-R331 PolarHBondContact OG1-NH2 3.4Å; Y310-R331 HydrophobicContact CD1-CB 4.17Å; Y310-R331 HydrophobicContact CE1-CB 3.99Å; Y310-R331 HydrophobicContact CE1-CG 4.12Å; R331-Y359 WeakPolarHBondContact O-CE2 3.43Å; R331-Y359 PolarHBondContact O-OH 2.57Å; R331-Y359 VanDerWaalsContact O-OH 3.14Å |
| 332 | V | 91.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | -178.9 | 178.7 | -58.1 | 0 | 0 | 0 | 0 | 110.9 | V309 I311 A357 Y359 L375 | V309-V332 HydrophobicContact CG2-CG2 3.58Å; V309-V332 WeakPolarHBondContact CG2-O 3.42Å; V309-V332 PolarHBondContact N-O 3.39Å; V309-V332 PolarHBondContact O-N 3.35Å; V309-V332 VanDerWaalsContact O-O 3.06Å; I311-V332 HydrophobicContact CD1-CG1 4.36Å; I311-V332 HydrophobicContact CG2-CG2 4.46Å; V332-A357 HydrophobicContact CG2-CB 4.01Å; V332-Y359 HydrophobicContact CB-CE2 4.4Å; V332-Y359 HydrophobicContact CG1-CE2 4.28Å; V332-L375 HydrophobicContact CG2-CD1 3.97Å |
| 333 | K | 94.1 | Very high | 94.9 | Very high | 65 Ų | 65 | 52.5 Ų | 52.5 | 28% | 0.283 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 146.1 | 179.1 | -71.4 | 179.3 | 166.2 | -166.1 | 0 | 111 | N306 L307 I335 A357 G358 Y359 | N306-K333 VanDerWaalsContact OD1-CD 3.31Å; N306-K333 WeakPolarHBondContact OD1-CD 3.23Å; N306-K333 WeakPolarHBondContact OD1-CE 3.37Å; N306-K333 PolarHBondContact OD1-NZ 2.81Å; L307-K333 VanDerWaalsContact O-CA 3.32Å; L307-K333 WeakPolarHBondContact O-CA 3.42Å; K333-I335 PolarHBondContact O-N 2.85Å; K333-A357 CarbonylContact O-C 3.48Å; K333-A357 WeakPolarHBondContact O-CA 3Å; K333-A357 WeakPolarHBondContact O-CB 3.33Å; K333-G358 PolarHBondContact O-N 3.46Å; K333-Y359 HydrophobicContact CD-CE1 4.08Å; K333-Y359 HydrophobicContact CG-CE1 4.29Å |
| 334 | I | 97.2 | Very high | 95 | Very high | 13 Ų | 13 | 55.4 Ų | 55.4 | 7% | 0.067 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 132.6 | 169 | -59.7 | -174.5 | 0 | 0 | 0 | 109 | F303 N306 L307 V309 F355 I387 | F303-I334 HydrophobicContact CB-CD1 3.59Å; N306-I334 PolarHBondContact N-O 2.83Å; L307-I334 HydrophobicContact CB-CD1 3.99Å; L307-I334 HydrophobicContact CB-CG1 4.24Å; L307-I334 HydrophobicContact CD2-CD1 4Å; L307-I334 HydrophobicContact CG-CD1 4.46Å; L307-I334 PolarHBondContact O-N 3.24Å; V309-I334 HydrophobicContact CG1-CD1 4.05Å; V309-I334 HydrophobicContact CG1-CG1 3.78Å; V309-I334 HydrophobicContact CG2-CG1 4.36Å; I334-F355 HydrophobicContact CD1-CE2 4.45Å; I334-F355 HydrophobicContact CG1-CE2 4.4Å; I334-F355 HydrophobicContact CG2-CD2 4.32Å; I334-I387 HydrophobicContact CD1-CD1 3.93Å |
| 335 | I | 97.3 | Very high | 95.2 | Very high | 19 Ų | 19 | 52.7 Ų | 52.7 | 10% | 0.097 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 138.1 | 175 | -65.4 | 166.2 | 0 | 0 | 0 | 107.6 | K333 V339 C340 C356 M360 P402 | K333-I335 PolarHBondContact O-N 2.85Å; I335-V339 HydrophobicContact CG2-CB 3.77Å; I335-V339 HydrophobicContact CG2-CG1 3.67Å; I335-C340 HydrophobicContact CG2-CB 4.34Å; I335-C356 HydrophobicContact CB-CB 4.1Å; I335-C356 PolarHBondContact N-O 3.14Å; I335-M360 HydrophobicContact CD1-SD 3.85Å; I335-M360 HydrophobicContact CG2-SD 4.44Å; I335-P402 HydrophobicContact CD1-CB 3.33Å; I335-P402 HydrophobicContact CD1-CG 3.61Å |
| 336 | S | 97.4 | Very high | 95.2 | Very high | 30 Ų | 30 | 49.9 Ų | 49.9 | 21% | 0.21 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -66.5 | 149.7 | 179.3 | 58.3 | 0 | 0 | 0 | 0 | 111.4 | D338 V339 C340 | S336-D338 PolarHBondContact O-N 2.87Å; S336-V339 PolarHBondContact O-N 3Å; S336-V339 WeakPolarHBondContact OG-CG2 3.48Å; S336-C340 PolarHBondContact O-N 2.87Å |
| 337 | D | 95.6 | Very high | 95.3 | Very high | 67 Ų | 67 | 47.2 Ų | 47.2 | 36% | 0.358 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -54.1 | -40.5 | 173.4 | -91.3 | 29.7 | 0 | 0 | 0 | 111.9 | V339 C340 K341 | D337-V339 PolarHBondContact O-N 3.49Å; D337-C340 PolarHBondContact O-N 3Å; D337-K341 HydrophobicContact CB-CD 4.3Å; D337-K341 VanDerWaalsContact O-CB 3.23Å; D337-K341 WeakPolarHBondContact O-CB 3.39Å; D337-K341 WeakPolarHBondContact O-CG 3.5Å; D337-K341 PolarHBondContact O-N 3.38Å; D337-K341 IonicContact OD2-NZ 3.7Å; D337-K341 PolarHBondContact OD2-NZ 2.65Å |
| 338 | D | 97.1 | Very high | 95.2 | Very high | 136 Ų | 136 | 54 Ų | 54 | 73% | 0.727 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -59.5 | -33.1 | 178.6 | -63.6 | -26.7 | 0 | 0 | 0 | 113.1 | S336 Q342 | S336-D338 PolarHBondContact O-N 2.87Å; D338-Q342 WeakPolarHBondContact O-CG 3.35Å |
| 339 | V | 97.7 | Very high | 95.3 | Very high | 42 Ų | 42 | 55.6 Ų | 55.6 | 26% | 0.255 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -82.1 | -45 | 175.5 | 172.9 | 0 | 0 | 0 | 0 | 109.9 | I335 S336 D337 K341 Q342 V345 M360 | I335-V339 HydrophobicContact CG2-CB 3.77Å; I335-V339 HydrophobicContact CG2-CG1 3.67Å; S336-V339 PolarHBondContact O-N 3Å; S336-V339 WeakPolarHBondContact OG-CG2 3.48Å; D337-V339 PolarHBondContact O-N 3.49Å; V339-K341 VanDerWaalsContact C-N 3.29Å; V339-K341 PolarHBondContact O-N 2.96Å; V339-Q342 WeakPolarHBondContact O-CB 3.48Å; V339-Q342 VanDerWaalsContact O-CG 3.26Å; V339-Q342 WeakPolarHBondContact O-CG 3.41Å; V339-Q342 PolarHBondContact O-N 3.11Å; V339-Q342 VanDerWaalsContact O-N 3.16Å; V339-V345 WeakPolarHBondContact O-CG2 3.47Å; V339-M360 HydrophobicContact CG1-CE 4.07Å; V339-M360 HydrophobicContact CG1-CG 4.44Å; V339-M360 HydrophobicContact CG1-SD 3.98Å |
| 340 | C | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.4 | -30.2 | -175 | -152.5 | 0 | 0 | 0 | 0 | 113.5 | I335 S336 D337 Q342 V345 Y346 I350 C356 | I335-C340 HydrophobicContact CG2-CB 4.34Å; S336-C340 PolarHBondContact O-N 2.87Å; D337-C340 PolarHBondContact O-N 3Å; C340-Q342 VanDerWaalsContact C-N 3.29Å; C340-Q342 PolarHBondContact O-N 2.97Å; C340-V345 WeakPolarHBondContact O-CG1 3.32Å; C340-Y346 PolarHBondContact O-N 3.16Å; C340-Y346 VanDerWaalsContact SG-CD2 3.59Å; C340-I350 HydrophobicContact CB-CG1 4.42Å; C340-C356 HydrophobicContact CB-CB 3.68Å; C340-C356 WeakPolarHBondContact CB-SG 3.12Å; C340-C356 WeakPolarHBondContact SG-CB 3.41Å; C340-C356 CovalentContact SG-SG 1.99Å; C340-C356 PolarHBondContact SG-SG 2.91Å |
| 341 | K | 97.5 | Very high | 95.7 | Very high | 84 Ų | 84 | 57.3 Ų | 57.3 | 37% | 0.365 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 6.6 | 176.8 | -69.6 | 167.9 | 174.4 | 163.5 | 0 | 113.6 | D337 V339 G347 I350 | D337-K341 HydrophobicContact CB-CD 4.3Å; D337-K341 VanDerWaalsContact O-CB 3.23Å; D337-K341 WeakPolarHBondContact O-CB 3.39Å; D337-K341 WeakPolarHBondContact O-CG 3.5Å; D337-K341 PolarHBondContact O-N 3.38Å; D337-K341 IonicContact OD2-NZ 3.7Å; D337-K341 PolarHBondContact OD2-NZ 2.65Å; V339-K341 VanDerWaalsContact C-N 3.29Å; V339-K341 PolarHBondContact O-N 2.96Å; K341-G347 WeakPolarHBondContact CA-O 3.38Å; K341-G347 WeakPolarHBondContact O-CA 3.32Å; K341-I350 WeakPolarHBondContact CE-O 3.35Å; K341-I350 HydrophobicContact CG-CB 3.88Å; K341-I350 HydrophobicContact CG-CG1 4.35Å; K341-I350 HydrophobicContact CG-CG2 4.3Å |
| 342 | Q | 98.1 | Very high | 95.9 | Very high | 70 Ų | 70 | 56.1 Ų | 56.1 | 33% | 0.327 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -64.2 | 142.7 | 172 | -64.5 | 177.6 | -5.5 | 0 | 0 | 109.8 | D338 V339 C340 Q344 V345 Y346 G347 | D338-Q342 WeakPolarHBondContact O-CG 3.35Å; V339-Q342 WeakPolarHBondContact O-CB 3.48Å; V339-Q342 VanDerWaalsContact O-CG 3.26Å; V339-Q342 WeakPolarHBondContact O-CG 3.41Å; V339-Q342 PolarHBondContact O-N 3.11Å; V339-Q342 VanDerWaalsContact O-N 3.16Å; C340-Q342 VanDerWaalsContact C-N 3.29Å; C340-Q342 PolarHBondContact O-N 2.97Å; Q342-Q344 PolarHBondContact O-N 3.35Å; Q342-Q344 VanDerWaalsContact O-N 3.15Å; Q342-V345 HydrophobicContact CB-CB 4.48Å; Q342-V345 HydrophobicContact CB-CG2 4.1Å; Q342-V345 PolarHBondContact O-N 3.49Å; Q342-Y346 PolarHBondContact O-N 3.35Å; Q342-G347 PolarHBondContact O-N 1.99Å |
| 343 | P | 97 | Very high | 96.1 | Very high | 119 Ų | 119 | 56.2 Ų | 56.2 | 77% | 0.773 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -34 | -175.8 | -28.2 | 35.5 | 0 | 0 | 0 | 114.6 | V345 | P343-V345 VanDerWaalsContact C-N 3.31Š|
| 344 | Q | 95.4 | Very high | 96.3 | Very high | 109 Ų | 109 | 53.5 Ų | 53.5 | 51% | 0.509 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -17.6 | 177.7 | 70.7 | -80.2 | 10.4 | 0 | 0 | 113.9 | Q342 | Q342-Q344 PolarHBondContact O-N 3.35Å; Q342-Q344 VanDerWaalsContact O-N 3.15Å |
| 345 | V | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -84 | 179.9 | -178.1 | 0 | 0 | 0 | 0 | 109 | V339 C340 Q342 P343 M360 D400 K401 P402 | V339-V345 WeakPolarHBondContact O-CG2 3.47Å; C340-V345 WeakPolarHBondContact O-CG1 3.32Å; Q342-V345 HydrophobicContact CB-CB 4.48Å; Q342-V345 HydrophobicContact CB-CG2 4.1Å; Q342-V345 PolarHBondContact O-N 3.49Å; P343-V345 VanDerWaalsContact C-N 3.31Å; V345-M360 HydrophobicContact CB-CE 4.47Å; V345-M360 HydrophobicContact CG1-CE 4.19Å; V345-M360 HydrophobicContact CG2-CE 3.44Å; V345-M360 VanDerWaalsContact CG2-CE 3.44Å; V345-D400 WeakPolarHBondContact CA-O 3.43Å; V345-D400 WeakPolarHBondContact CG1-O 3.45Å; V345-K401 WeakPolarHBondContact O-CD 3.48Å; V345-K401 WeakPolarHBondContact O-CE 3.31Å; V345-K401 PolarHBondContact O-NZ 3.16Å; V345-P402 HydrophobicContact CG1-CG 4.28Å |
| 346 | Y | 96.7 | Very high | 96.3 | Very high | 8 Ų | 8 | 52.8 Ų | 52.8 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -134.7 | -4.3 | 174.7 | -67.5 | -62.3 | 0 | 0 | 0 | 113.8 | C340 Q342 N348 D349 I350 W392 D394 K401 P402 V404 | C340-Y346 PolarHBondContact O-N 3.16Å; C340-Y346 VanDerWaalsContact SG-CD2 3.59Å; Q342-Y346 PolarHBondContact O-N 3.35Å; Y346-N348 PolarHBondContact O-N 3.26Å; Y346-D349 WeakPolarHBondContact O-CB 3.48Å; Y346-D349 PolarHBondContact O-N 2.88Å; Y346-I350 HydrophobicContact CD2-CD1 3.78Å; Y346-I350 HydrophobicContact CD2-CG1 4.36Å; Y346-I350 HydrophobicContact CG-CD1 3.95Å; Y346-I350 HydrophobicContact CG-CG1 4.39Å; Y346-W392 AromaticContact CD1-CH2 3.77Å; Y346-W392 HydrophobicContact CD1-CH2 3.77Å; Y346-W392 AromaticContact CD1-CZ3 3.6Å; Y346-W392 HydrophobicContact CD1-CZ3 3.6Å; Y346-W392 HydrophobicContact CE1-CE3 4.4Å; Y346-W392 HydrophobicContact CE1-CH2 4.13Å; Y346-W392 AromaticContact CE1-CZ3 3.51Å; Y346-W392 HydrophobicContact CE1-CZ3 3.51Å; Y346-W392 HydrophobicContact CG-CH2 4.05Å; Y346-W392 HydrophobicContact CG-CZ3 4.28Å; Y346-D394 HydrophobicContact CE1-CB 4.21Å; Y346-D394 PolarHBondContact OH-N 3.23Å; Y346-K401 HydrophobicContact CD1-CD 4.42Å; Y346-K401 HydrophobicContact CE1-CD 3.86Å; Y346-P402 HydrophobicContact CE2-CG 4.06Å; Y346-P402 WeakPolarHBondContact CE2-O 3.32Å; Y346-P402 VanDerWaalsContact CZ-O 3.31Å; Y346-P402 PolarHBondContact OH-O 3.18Å; Y346-V404 HydrophobicContact CD2-CG2 3.99Å; Y346-V404 HydrophobicContact CE2-CG2 3.58Å |
| 347 | G | 95.8 | Very high | 96.3 | Very high | 12 Ų | 12 | 51.3 Ų | 51.3 | 12% | 0.124 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | 52.1 | -125.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | K341 Q342 D349 | K341-G347 WeakPolarHBondContact CA-O 3.38Å; K341-G347 WeakPolarHBondContact O-CA 3.32Å; Q342-G347 PolarHBondContact O-N 1.99Å; G347-D349 VanDerWaalsContact C-N 3.27Å; G347-D349 PolarHBondContact O-N 3.05Å |
| 348 | N | 93.7 | Very high | 96.2 | Very high | 144 Ų | 144 | 48.3 Ų | 48.3 | 77% | 0.77 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -80.5 | -0.8 | -178.3 | -67.3 | -34.9 | 0 | 0 | 0 | 114.2 | Y346 I350 K351 | Y346-N348 PolarHBondContact O-N 3.26Å; N348-I350 VanDerWaalsContact C-N 3.3Å; N348-K351 WeakPolarHBondContact O-CE 3.42Å; N348-K351 PolarHBondContact O-NZ 2.92Å |
| 349 | D | 94.1 | Very high | 96 | Very high | 96 Ų | 96 | 44.8 Ų | 44.8 | 51% | 0.513 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -77.5 | -18.4 | -177.7 | -64.8 | -18.5 | 0 | 0 | 0 | 112.4 | Y346 G347 K351 W392 | Y346-D349 WeakPolarHBondContact O-CB 3.48Å; Y346-D349 PolarHBondContact O-N 2.88Å; G347-D349 VanDerWaalsContact C-N 3.27Å; G347-D349 PolarHBondContact O-N 3.05Å; D349-K351 PolarHBondContact O-N 2.9Å; D349-W392 HydrophobicContact CB-CH2 4.02Å |
| 350 | I | 95.3 | Very high | 95.7 | Very high | 8 Ų | 8 | 44.8 Ų | 44.8 | 4% | 0.041 | 24% | 0.237 | C | C | . | . | trans | -79 | 107.2 | 172.4 | -54 | -55.8 | 0 | 0 | 0 | 109.9 | C340 K341 Y346 N348 M354 W392 V404 | C340-I350 HydrophobicContact CB-CG1 4.42Å; K341-I350 WeakPolarHBondContact CE-O 3.35Å; K341-I350 HydrophobicContact CG-CB 3.88Å; K341-I350 HydrophobicContact CG-CG1 4.35Å; K341-I350 HydrophobicContact CG-CG2 4.3Å; Y346-I350 HydrophobicContact CD2-CD1 3.78Å; Y346-I350 HydrophobicContact CD2-CG1 4.36Å; Y346-I350 HydrophobicContact CG-CD1 3.95Å; Y346-I350 HydrophobicContact CG-CG1 4.39Å; N348-I350 VanDerWaalsContact C-N 3.3Å; I350-M354 HydrophobicContact CG2-CB 4.29Å; I350-W392 HydrophobicContact CD1-CH2 4.02Å; I350-W392 HydrophobicContact CD1-CZ2 3.92Å; I350-V404 HydrophobicContact CD1-CG1 4.03Å; I350-V404 HydrophobicContact CD1-CG2 3.77Å | ||
| 351 | K | 94.3 | Very high | 95.4 | Very high | 73 Ų | 73 | 51.2 Ų | 51.2 | 32% | 0.317 | 27% | 0.267 | S | S | . | . | trans | -95.2 | 171.4 | 179.8 | -51.3 | -54.7 | -175 | -173.5 | 0 | 112.2 | E273 N348 D349 M354 | E273-K351 HydrophobicContact CG-CB 3.78Å; E273-K351 HydrophobicContact CG-CG 3.64Å; N348-K351 WeakPolarHBondContact O-CE 3.42Å; N348-K351 PolarHBondContact O-NZ 2.92Å; D349-K351 PolarHBondContact O-N 2.9Å; K351-M354 HydrophobicContact CB-CE 4Å; K351-M354 HydrophobicContact CB-SD 4.11Å; K351-M354 HydrophobicContact CG-CE 4.16Å; K351-M354 HydrophobicContact CG-SD 4.43Å; K351-M354 WeakPolarHBondContact O-CB 3.22Å; K351-M354 PolarHBondContact O-N 2.67Å | ||
| 352 | S | 94.2 | Very high | 94.7 | Very high | 83 Ų | 83 | 47.4 Ų | 47.4 | 58% | 0.58 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 141.5 | 172 | -62.1 | 0 | 0 | 0 | 0 | 111.3 | M354 | S352-M354 VanDerWaalsContact C-N 3.26Å; S352-M354 PolarHBondContact O-N 3.44Å |
| 353 | G | 95.6 | Very high | 93.6 | Very high | 3 Ų | 3 | 49.4 Ų | 49.4 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 13.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114 | Q407 | G353-Q407 WeakPolarHBondContact O-CB 3.32Å; G353-Q407 PolarHBondContact O-N 3.39Å |
| 354 | M | 97.6 | Very high | 92.4 | Very high | 8 Ų | 8 | 47.1 Ų | 47.1 | 4% | 0.039 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 153.8 | 168 | -55.8 | 179.6 | -175.7 | 0 | 0 | 110 | R272 E273 I350 K351 S352 W392 V404 Y405 | R272-M354 VanDerWaalsContact C-CE 3.43Å; R272-M354 HydrophobicContact CB-CE 4.27Å; R272-M354 WeakPolarHBondContact O-CE 3.26Å; E273-M354 HydrophobicContact CB-CE 4.46Å; E273-M354 HydrophobicContact CG-CE 4.07Å; I350-M354 HydrophobicContact CG2-CB 4.29Å; K351-M354 HydrophobicContact CB-CE 4Å; K351-M354 HydrophobicContact CB-SD 4.11Å; K351-M354 HydrophobicContact CG-CE 4.16Å; K351-M354 HydrophobicContact CG-SD 4.43Å; K351-M354 WeakPolarHBondContact O-CB 3.22Å; K351-M354 PolarHBondContact O-N 2.67Å; S352-M354 VanDerWaalsContact C-N 3.26Å; S352-M354 PolarHBondContact O-N 3.44Å; M354-W392 HydrophobicContact SD-CZ2 4.26Å; M354-V404 HydrophobicContact CB-CG1 4.03Å; M354-V404 HydrophobicContact CG-CG1 4.49Å; M354-V404 HydrophobicContact SD-CG1 4.27Å; M354-Y405 WeakPolarHBondContact CA-O 3.33Å |
| 355 | F | 98 | Very high | 91.7 | Very high | 16 Ų | 16 | 43.2 Ų | 43.2 | 7% | 0.07 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 166.1 | 168.5 | 72.1 | -73.7 | 0 | 0 | 0 | 110.1 | I334 L375 I387 Y405 Q407 | I334-F355 HydrophobicContact CD1-CE2 4.45Å; I334-F355 HydrophobicContact CG1-CE2 4.4Å; I334-F355 HydrophobicContact CG2-CD2 4.32Å; F355-L375 HydrophobicContact CE2-CD2 3.5Å; F355-L375 HydrophobicContact CZ-CD2 3.45Å; F355-L375 VanDerWaalsContact CZ-CD2 3.45Å; F355-I387 HydrophobicContact CZ-CD1 4.49Å; F355-I387 HydrophobicContact CZ-CG1 4.37Å; F355-Y405 PolarHBondContact N-O 2.87Å; F355-Y405 PolarHBondContact O-N 3.17Å; F355-Q407 HydrophobicContact CD1-CB 3.81Å; F355-Q407 HydrophobicContact CD1-CG 4.07Å; F355-Q407 HydrophobicContact CE1-CB 4.21Å; F355-Q407 HydrophobicContact CE1-CG 4.39Å |
| 356 | C | 97.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 144.8 | -174.4 | -53.4 | 0 | 0 | 0 | 0 | 111.5 | I335 C340 P402 G403 | I335-C356 HydrophobicContact CB-CB 4.1Å; I335-C356 PolarHBondContact N-O 3.14Å; C340-C356 HydrophobicContact CB-CB 3.68Å; C340-C356 WeakPolarHBondContact CB-SG 3.12Å; C340-C356 WeakPolarHBondContact SG-CB 3.41Å; C340-C356 CovalentContact SG-SG 1.99Å; C340-C356 PolarHBondContact SG-SG 2.91Å; C356-P402 HydrophobicContact CB-CG 4.19Å; C356-G403 WeakPolarHBondContact CA-O 3.49Å |
| 357 | A | 96.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 143.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | V309 V332 K333 L375 G403 Y405 | V309-A357 HydrophobicContact CG2-CB 4.22Å; V332-A357 HydrophobicContact CG2-CB 4.01Å; K333-A357 CarbonylContact O-C 3.48Å; K333-A357 WeakPolarHBondContact O-CA 3Å; K333-A357 WeakPolarHBondContact O-CB 3.33Å; A357-L375 HydrophobicContact CB-CD1 4.41Å; A357-L375 HydrophobicContact CB-CD2 4.01Å; A357-G403 PolarHBondContact N-O 3.31Å; A357-G403 PolarHBondContact O-N 3.11Å; A357-Y405 HydrophobicContact CB-CD2 4.02Å; A357-Y405 HydrophobicContact CB-CE2 3.64Å |
| 358 | G | 93.8 | Very high | 90 | Very high | 3 Ų | 3 | 52.7 Ų | 52.7 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 154 | -158.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112 | K333 | K333-G358 PolarHBondContact O-N 3.46Å |
| 359 | Y | 91.7 | Very high | 89.8 | Confident | 62 Ų | 62 | 46.2 Ų | 46.2 | 24% | 0.243 | 23% | 0.226 | C | C | . | . | trans | -127.6 | 140.3 | 167 | -61.4 | -86.2 | 0 | 0 | 0 | 108 | R331 V332 K333 E361 G362 Y364 | R331-Y359 WeakPolarHBondContact O-CE2 3.43Å; R331-Y359 PolarHBondContact O-OH 2.57Å; R331-Y359 VanDerWaalsContact O-OH 3.14Å; V332-Y359 HydrophobicContact CB-CE2 4.4Å; V332-Y359 HydrophobicContact CG1-CE2 4.28Å; K333-Y359 HydrophobicContact CD-CE1 4.08Å; K333-Y359 HydrophobicContact CG-CE1 4.29Å; Y359-E361 PolarHBondContact O-N 3.12Å; Y359-G362 WeakPolarHBondContact O-CA 3.38Å; Y359-G362 PolarHBondContact O-N 2.9Å; Y359-Y364 AromaticContact CD2-CD2 3.54Å; Y359-Y364 HydrophobicContact CD2-CD2 3.54Å; Y359-Y364 HydrophobicContact CD2-CE2 4.45Å; Y359-Y364 HydrophobicContact CD2-CG 4.11Å; Y359-Y364 AromaticContact CE2-CD2 3.82Å; Y359-Y364 HydrophobicContact CE2-CD2 3.82Å; Y359-Y364 HydrophobicContact CE2-CG 4.19Å; Y359-Y364 HydrophobicContact CG-CD2 4.43Å | ||
| 360 | M | 93.1 | Very high | 89.9 | Confident | 42 Ų | 42 | 42.6 Ų | 42.6 | 21% | 0.207 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -24.8 | -177.6 | -64.1 | -52.9 | -67.6 | 0 | 0 | 112 | I335 V339 V345 G362 R399 D400 P402 | I335-M360 HydrophobicContact CD1-SD 3.85Å; I335-M360 HydrophobicContact CG2-SD 4.44Å; V339-M360 HydrophobicContact CG1-CE 4.07Å; V339-M360 HydrophobicContact CG1-CG 4.44Å; V339-M360 HydrophobicContact CG1-SD 3.98Å; V345-M360 HydrophobicContact CB-CE 4.47Å; V345-M360 HydrophobicContact CG1-CE 4.19Å; V345-M360 HydrophobicContact CG2-CE 3.44Å; V345-M360 VanDerWaalsContact CG2-CE 3.44Å; M360-G362 PolarHBondContact O-N 3.07Å; M360-R399 WeakPolarHBondContact O-CG 3.06Å; M360-D400 HydrophobicContact CE-CB 4.18Å; M360-D400 PolarHBondContact O-N 2.95Å; M360-P402 HydrophobicContact SD-CG 4.21Å |
| 361 | E | 90.6 | Very high | 90 | Very high | 136 Ų | 136 | 43.2 Ų | 43.2 | 64% | 0.636 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -13.9 | 170.7 | -58 | 85.8 | 168 | 0 | 0 | 112.7 | Y359 | Y359-E361 PolarHBondContact O-N 3.12Š|
| 362 | G | 82.4 | Confident | 90.2 | Very high | 4 Ų | 4 | 39.7 Ų | 39.7 | 4% | 0.041 | 20% | 0.196 | C | C | . | . | trans | 83.4 | -141.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y359 M360 Y364 G397 | Y359-G362 WeakPolarHBondContact O-CA 3.38Å; Y359-G362 PolarHBondContact O-N 2.9Å; M360-G362 PolarHBondContact O-N 3.07Å; G362-Y364 PolarHBondContact O-N 3.19Å; G362-G397 WeakPolarHBondContact CA-O 3.18Å | ||
| 363 | I | 74 | Confident | 90.4 | Very high | 112 Ų | 112 | 35.8 Ų | 35.8 | 57% | 0.574 | 17% | 0.168 | S | C | * | . | S | Bend | trans | 72.4 | -45.5 | 175.6 | -51.7 | 168.7 | 0 | 0 | 0 | 114.5 | G397 | I363-G397 PolarHBondContact N-O 2.81Š|
| 364 | Y | 73.1 | Confident | 90.5 | Very high | 71 Ų | 71 | 35.6 Ų | 35.6 | 28% | 0.278 | 17% | 0.167 | S | C | . | . | trans | -110.7 | 110.6 | -178.7 | -51.4 | -82.9 | 0 | 0 | 0 | 110.5 | A191 Y359 G362 | A191-Y364 HydrophobicContact CB-CE1 4.17Å; A191-Y364 VanDerWaalsContact CB-OH 3.24Å; A191-Y364 WeakPolarHBondContact CB-OH 2.96Å; Y359-Y364 AromaticContact CD2-CD2 3.54Å; Y359-Y364 HydrophobicContact CD2-CD2 3.54Å; Y359-Y364 HydrophobicContact CD2-CE2 4.45Å; Y359-Y364 HydrophobicContact CD2-CG 4.11Å; Y359-Y364 AromaticContact CE2-CD2 3.82Å; Y359-Y364 HydrophobicContact CE2-CD2 3.82Å; Y359-Y364 HydrophobicContact CE2-CG 4.19Å; Y359-Y364 HydrophobicContact CG-CD2 4.43Å; G362-Y364 PolarHBondContact O-N 3.19Å | ||
| 365 | D | 79.8 | Confident | 90.5 | Very high | 27 Ų | 27 | 35.2 Ų | 35.2 | 14% | 0.144 | 17% | 0.165 | C | C | . | . | trans | -155.4 | 159.9 | -176.9 | -160.6 | 6.8 | 0 | 0 | 0 | 110.7 | G397 G403 | D365-G397 PolarHBondContact OD2-N 3.25Å; D365-G397 VanDerWaalsContact OD2-N 3.07Å; D365-G403 VanDerWaalsContact OD1-CA 3.23Å; D365-G403 WeakPolarHBondContact OD1-CA 3.19Å; D365-G403 PolarHBondContact OD1-N 3.09Å | ||
| 366 | A | 81.3 | Confident | 90.5 | Very high | 11 Ų | 11 | 34.5 Ų | 34.5 | 9% | 0.091 | 16% | 0.162 | C | C | . | . | trans | -73.8 | 150.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | I311 D370 V390 | I311-A366 HydrophobicContact CD1-CB 4.22Å; A366-D370 HydrophobicContact CB-CB 3.92Å; A366-V390 HydrophobicContact CB-CB 4.46Å; A366-V390 HydrophobicContact CB-CG1 3.55Å; A366-V390 HydrophobicContact CB-CG2 3.99Å | ||
| 367 | C | 88.3 | Confident | 90.3 | Very high | 11 Ų | 11 | 34.9 Ų | 34.9 | 7% | 0.074 | 16% | 0.164 | C | C | . | . | trans | -132.5 | -173.7 | 179.7 | -158.9 | 0 | 0 | 0 | 0 | 112.3 | A316 G369 D370 C396 | A316-C367 VanDerWaalsContact O-CB 3.23Å; A316-C367 WeakPolarHBondContact O-CB 3.35Å; C367-G369 PolarHBondContact O-N 3.07Å; C367-D370 PolarHBondContact N-OD2 3.3Å; C367-D370 WeakPolarHBondContact O-CB 3.31Å; C367-D370 PolarHBondContact O-N 2.79Å; C367-C396 WeakPolarHBondContact CA-SG 3.43Å; C367-C396 HydrophobicContact CB-CB 3.6Å; C367-C396 WeakPolarHBondContact CB-SG 3.28Å; C367-C396 WeakPolarHBondContact SG-CB 3.39Å; C367-C396 CovalentContact SG-SG 2.03Å; C367-C396 PolarHBondContact SG-SG 3.46Å | ||
| 368 | R | 85.6 | Confident | 89.9 | Confident | 197 Ų | 197 | 38.5 Ų | 38.5 | 74% | 0.743 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53 | 123.8 | 178 | -174.1 | -177 | -125.3 | -152.8 | 2.7 | 110.3 | G315 A316 | G315-R368 CarbonylContact C-O 3.54Å; G315-R368 WeakPolarHBondContact CA-O 3.11Å; A316-R368 PolarHBondContact N-O 3.23Å |
| 369 | G | 89.1 | Confident | 89.1 | Confident | 8 Ų | 8 | 40.1 Ų | 40.1 | 8% | 0.082 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 99.7 | -22.2 | -176 | 0 | 0 | 0 | 0 | 0 | 114 | H213 G216 C367 S371 | H213-G369 PolarHBondContact CE1-O 3.12Å; H213-G369 PolarHBondContact NE2-O 3.1Å; G216-G369 PolarHBondContact N-O 3.1Å; C367-G369 PolarHBondContact O-N 3.07Å; G369-S371 VanDerWaalsContact C-N 3.29Å |
| 370 | D | 95.6 | Very high | 87.6 | Confident | 19 Ų | 19 | 39.8 Ų | 39.8 | 10% | 0.102 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -18.3 | 173.6 | -63.4 | -44.6 | 0 | 0 | 0 | 112.7 | G313 F314 G315 A366 C367 G372 G373 V390 | G313-D370 WeakPolarHBondContact CA-OD1 3.38Å; F314-D370 PolarHBondContact N-OD1 3.43Å; G315-D370 VanDerWaalsContact CA-OD1 3.31Å; G315-D370 WeakPolarHBondContact CA-OD1 3.35Å; G315-D370 PolarHBondContact N-OD1 2.84Å; A366-D370 HydrophobicContact CB-CB 3.92Å; C367-D370 PolarHBondContact N-OD2 3.3Å; C367-D370 WeakPolarHBondContact O-CB 3.31Å; C367-D370 PolarHBondContact O-N 2.79Å; D370-G372 PolarHBondContact O-N 2.74Å; D370-G373 VanDerWaalsContact O-CA 3.31Å; D370-G373 WeakPolarHBondContact O-CA 3.26Å; D370-G373 PolarHBondContact O-N 2.03Å; D370-V390 HydrophobicContact CB-CG1 4.24Å; D370-V390 WeakPolarHBondContact O-CB 3.28Å |
| 371 | S | 96.7 | Very high | 86.2 | Confident | 21 Ų | 21 | 41.9 Ų | 41.9 | 15% | 0.147 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -38.1 | 131.3 | 172.6 | -75.6 | 0 | 0 | 0 | 0 | 113.1 | C215 G216 H230 G369 G373 | C215-S371 CarbonylContact C-O 3.44Å; C215-S371 WeakPolarHBondContact CA-O 3.17Å; C215-S371 WeakPolarHBondContact CB-O 3.28Å; G216-S371 PolarHBondContact N-O 3.4Å; H230-S371 PolarHBondContact CE1-OG 3.01Å; H230-S371 WeakPolarHBondContact NE2-CB 3.42Å; H230-S371 PolarHBondContact NE2-OG 3.22Å; G369-S371 VanDerWaalsContact C-N 3.29Å; S371-G373 PolarHBondContact O-N 2.88Å |
| 372 | G | 98.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | -8.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | G216 A217 T227 D370 V390 | G216-G372 CarbonylContact C-O 3.52Å; G216-G372 CarbonylContact O-C 3.58Å; G216-G372 VanDerWaalsContact O-C 3.26Å; A217-G372 WeakPolarHBondContact CA-O 3.19Å; T227-G372 VanDerWaalsContact OG1-CA 3.32Å; T227-G372 WeakPolarHBondContact OG1-CA 3.24Å; D370-G372 PolarHBondContact O-N 2.74Å; G372-V390 PolarHBondContact N-O 3.25Å |
| 373 | G | 98.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -69.3 | 165 | 173 | 0 | 0 | 0 | 0 | 0 | 113.1 | D370 S371 I389 V390 | D370-G373 VanDerWaalsContact O-CA 3.31Å; D370-G373 WeakPolarHBondContact O-CA 3.26Å; D370-G373 PolarHBondContact O-N 2.03Å; S371-G373 PolarHBondContact O-N 2.88Å; G373-I389 WeakPolarHBondContact O-CA 3.49Å; G373-V390 PolarHBondContact O-N 2.94Å | ||
| 374 | P | 98.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 139.8 | -172.4 | 33.6 | -35.9 | 0 | 0 | 0 | 113 | T218 T312 V376 L386 | T218-P374 HydrophobicContact CG2-CB 3.98Å; T218-P374 WeakPolarHBondContact OG1-CB 3.38Å; T312-P374 VanDerWaalsContact OG1-CG 3.32Å; T312-P374 WeakPolarHBondContact OG1-CG 3.17Å; P374-V376 HydrophobicContact CB-CG1 3.69Å; P374-V376 HydrophobicContact CG-CG1 4.49Å; P374-L386 HydrophobicContact CB-CD1 3.53Å |
| 375 | L | 98.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 118.8 | 154.4 | -175.7 | 81 | 0 | 0 | 0 | 108.3 | V309 Y310 I311 V332 F355 A357 I387 G388 Y405 | V309-L375 HydrophobicContact CB-CD1 4.04Å; V309-L375 HydrophobicContact CB-CD2 4.48Å; V309-L375 HydrophobicContact CB-CG 4.19Å; V309-L375 HydrophobicContact CG2-CD1 3.69Å; V309-L375 HydrophobicContact CG2-CD2 4.21Å; V309-L375 HydrophobicContact CG2-CG 4.18Å; Y310-L375 WeakPolarHBondContact O-CA 3.47Å; I311-L375 HydrophobicContact CB-CD1 4.41Å; I311-L375 HydrophobicContact CG2-CB 4.32Å; I311-L375 HydrophobicContact CG2-CD1 3.15Å; I311-L375 HydrophobicContact CG2-CG 4.32Å; V332-L375 HydrophobicContact CG2-CD1 3.97Å; F355-L375 HydrophobicContact CE2-CD2 3.5Å; F355-L375 HydrophobicContact CZ-CD2 3.45Å; F355-L375 VanDerWaalsContact CZ-CD2 3.45Å; A357-L375 HydrophobicContact CB-CD1 4.41Å; A357-L375 HydrophobicContact CB-CD2 4.01Å; L375-I387 HydrophobicContact CD2-CD1 4.22Å; L375-I387 HydrophobicContact CD2-CG1 4.16Å; L375-I387 HydrophobicContact CG-CG1 4.32Å; L375-I387 WeakPolarHBondContact O-CG1 3.37Å; L375-I387 PolarHBondContact O-N 3.19Å; L375-G388 PolarHBondContact N-O 2.87Å; L375-G388 PolarHBondContact O-N 3.09Å; L375-G388 VanDerWaalsContact O-N 3.11Å; L375-Y405 HydrophobicContact CB-CD1 3.7Å; L375-Y405 HydrophobicContact CB-CE1 3.87Å; L375-Y405 HydrophobicContact CB-CG 4.45Å; L375-Y405 HydrophobicContact CD1-CD1 4.45Å; L375-Y405 HydrophobicContact CD1-CE1 3.94Å; L375-Y405 HydrophobicContact CD2-CD1 4.07Å; L375-Y405 HydrophobicContact CD2-CD2 4.25Å; L375-Y405 HydrophobicContact CD2-CE1 4.33Å; L375-Y405 HydrophobicContact CD2-CG 4.04Å; L375-Y405 HydrophobicContact CG-CD1 4.29Å; L375-Y405 HydrophobicContact CG-CE1 4.26Å |
| 376 | V | 97.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 150.8 | -169.4 | -52.6 | 0 | 0 | 0 | 0 | 112.3 | W201 I294 V309 Y310 P374 W384 Y385 L386 | W201-V376 HydrophobicContact CE3-CG2 4.07Å; W201-V376 HydrophobicContact CH2-CG2 4.25Å; W201-V376 HydrophobicContact CZ3-CG2 3.48Å; W201-V376 VanDerWaalsContact CZ3-CG2 3.48Å; I294-V376 HydrophobicContact CD1-CB 3.93Å; I294-V376 HydrophobicContact CD1-CG1 3.21Å; V309-V376 CarbonylContact C-O 3.47Å; V309-V376 WeakPolarHBondContact CA-O 3.34Å; Y310-V376 PolarHBondContact N-O 3.44Å; Y310-V376 PolarHBondContact O-N 2.93Å; P374-V376 HydrophobicContact CB-CG1 3.69Å; P374-V376 HydrophobicContact CG-CG1 4.49Å; V376-W384 HydrophobicContact CB-CE3 4.1Å; V376-W384 HydrophobicContact CG2-CE3 3.57Å; V376-W384 HydrophobicContact CG2-CZ3 3.75Å; V376-Y385 VanDerWaalsContact CA-O 3.25Å; V376-Y385 WeakPolarHBondContact CA-O 3.4Å; V376-Y385 WeakPolarHBondContact CB-O 3.33Å; V376-L386 HydrophobicContact CG1-CD1 4.22Å |
| 377 | T | 94.4 | Very high | 89.1 | Confident | 9 Ų | 9 | 30.9 Ų | 30.9 | 6% | 0.055 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 161.1 | 167.7 | -160.9 | 0 | 0 | 0 | 0 | 109.4 | F303 L307 T308 W384 Y385 I387 | F303-T377 HydrophobicContact CD1-CG2 3.92Å; F303-T377 HydrophobicContact CE1-CG2 3.63Å; F303-T377 HydrophobicContact CZ-CG2 4.47Å; L307-T377 HydrophobicContact CD2-CG2 4.27Å; T308-T377 PolarHBondContact O-OG1 2.8Å; T377-W384 CarbonylContact O-C 3.51Å; T377-W384 WeakPolarHBondContact O-CA 3.27Å; T377-Y385 PolarHBondContact N-O 2.97Å; T377-Y385 VanDerWaalsContact N-O 3.1Å; T377-Y385 PolarHBondContact O-N 3.19Å; T377-I387 HydrophobicContact CG2-CD1 4.3Å; T377-I387 HydrophobicContact CG2-CG2 3.68Å |
| 378 | R | 87.7 | Confident | 89.5 | Confident | 76 Ų | 76 | 30.3 Ų | 30.3 | 29% | 0.287 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 138 | 174.9 | 67 | -167.8 | -173 | 93.6 | 8.6 | 109.6 | D382 T383 W384 | R378-D382 WeakPolarHBondContact CD-OD1 2.96Å; R378-D382 IonicContact NH1-OD1 3.78Å; R378-D382 PolarHBondContact NH1-OD1 3.42Å; R378-T383 CarbonylContact C-O 3.58Å; R378-T383 WeakPolarHBondContact CA-O 3.41Å; R378-W384 HydrophobicContact CB-CD2 3.69Å; R378-W384 HydrophobicContact CB-CE3 3.96Å; R378-W384 HydrophobicContact CB-CG 4.12Å; R378-W384 HydrophobicContact CB-CH2 4.34Å; R378-W384 HydrophobicContact CB-CZ2 4.08Å; R378-W384 HydrophobicContact CB-CZ3 4.26Å; R378-W384 HydrophobicContact CG-CH2 4.46Å; R378-W384 HydrophobicContact CG-CZ2 4.35Å |
| 379 | D | 76.7 | Confident | 90.2 | Very high | 37 Ų | 37 | 21 Ų | 21 | 20% | 0.198 | 10% | 0.103 | C | C | . | . | trans | -72.2 | -179.9 | 163 | 74.7 | 8.7 | 0 | 0 | 0 | 110.3 | K381 D382 T383 Y385 | D379-K381 PolarHBondContact O-N 3.49Å; D379-K381 VanDerWaalsContact OD1-CA 3.27Å; D379-K381 WeakPolarHBondContact OD1-CA 3.31Å; D379-K381 WeakPolarHBondContact OD1-CB 3.37Å; D379-K381 PolarHBondContact OD1-N 2.89Å; D379-D382 PolarHBondContact O-N 3.19Å; D379-D382 PolarHBondContact OD1-N 3.14Å; D379-T383 PolarHBondContact N-O 2.83Å; D379-T383 WeakPolarHBondContact OD1-CA 3.17Å; D379-T383 VanDerWaalsContact OD1-CB 3.26Å; D379-T383 WeakPolarHBondContact OD1-CB 3.46Å; D379-T383 PolarHBondContact OD1-N 2.87Å; D379-T383 PolarHBondContact OD1-OG1 3.38Å; D379-T383 WeakPolarHBondContact OD2-CB 3.5Å; D379-Y385 HydrophobicContact CB-CD2 4.34Å; D379-Y385 HydrophobicContact CB-CE2 3.68Å; D379-Y385 VanDerWaalsContact OD2-CE2 3.32Å; D379-Y385 WeakPolarHBondContact OD2-CE2 3.35Å; D379-Y385 PolarHBondContact OD2-OH 2.81Å | ||
| 380 | L | 60.4 | Low | 90.6 | Very high | 54 Ų | 54 | 21 Ų | 21 | 28% | 0.283 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -14 | -179 | -58.9 | 177.6 | 0 | 0 | 0 | 112.7 | L74 R78 D382 | L74-L380 HydrophobicContact CB-CD1 3.25Å; L74-L380 HydrophobicContact CD1-CD1 4.22Å; L74-L380 HydrophobicContact CD2-CB 4.37Å; L74-L380 HydrophobicContact CD2-CD1 3.7Å; L74-L380 HydrophobicContact CD2-CG 4.33Å; L74-L380 HydrophobicContact CG-CD1 3.85Å; L74-L380 WeakPolarHBondContact O-CB 3.33Å; L74-L380 WeakPolarHBondContact O-CD1 3.06Å; R78-L380 HydrophobicContact CB-CB 4.15Å; R78-L380 WeakPolarHBondContact CB-O 3.46Å; R78-L380 WeakPolarHBondContact CD-O 2.99Å; R78-L380 WeakPolarHBondContact CG-O 3.35Å; L380-D382 PolarHBondContact O-N 3.14Å |
| 381 | K | 64.1 | Low | 90.7 | Very high | 86 Ų | 86 | 20.3 Ų | 20.3 | 37% | 0.374 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 15.3 | 173.6 | -56.8 | 177.3 | -178.8 | 176.8 | 0 | 112.1 | K180 D379 T383 | K180-K381 PolarHBondContact NZ-O 2.86Å; D379-K381 PolarHBondContact O-N 3.49Å; D379-K381 VanDerWaalsContact OD1-CA 3.27Å; D379-K381 WeakPolarHBondContact OD1-CA 3.31Å; D379-K381 WeakPolarHBondContact OD1-CB 3.37Å; D379-K381 PolarHBondContact OD1-N 2.89Å; K381-T383 PolarHBondContact O-N 3.37Å; K381-T383 PolarHBondContact O-OG1 3.09Å |
| 382 | D | 72.7 | Confident | 90.6 | Very high | 55 Ų | 55 | 20.9 Ų | 20.9 | 29% | 0.294 | 10% | 0.097 | S | C | . | . | S | Bend | trans | 50.4 | 38.2 | -171.4 | -153 | 54.6 | 0 | 0 | 0 | 112.2 | K180 R378 D379 L380 | K180-D382 PolarHBondContact NZ-O 2.82Å; K180-D382 VanDerWaalsContact NZ-O 3.07Å; R378-D382 WeakPolarHBondContact CD-OD1 2.96Å; R378-D382 IonicContact NH1-OD1 3.78Å; R378-D382 PolarHBondContact NH1-OD1 3.42Å; D379-D382 PolarHBondContact O-N 3.19Å; D379-D382 PolarHBondContact OD1-N 3.14Å; L380-D382 PolarHBondContact O-N 3.14Å |
| 383 | T | 82.6 | Confident | 90.2 | Very high | 16 Ų | 16 | 22.2 Ų | 22.2 | 10% | 0.098 | 11% | 0.11 | C | C | . | . | trans | -101.5 | 124.1 | 172.9 | -47.6 | 0 | 0 | 0 | 0 | 107.9 | G179 K180 C295 R378 D379 K381 Y385 | G179-T383 WeakPolarHBondContact O-CA 3.03Å; K180-T383 PolarHBondContact NZ-OG1 2.75Å; C295-T383 HydrophobicContact CB-CG2 4.41Å; C295-T383 WeakPolarHBondContact SG-CG2 3.41Å; R378-T383 CarbonylContact C-O 3.58Å; R378-T383 WeakPolarHBondContact CA-O 3.41Å; D379-T383 PolarHBondContact N-O 2.83Å; D379-T383 WeakPolarHBondContact OD1-CA 3.17Å; D379-T383 VanDerWaalsContact OD1-CB 3.26Å; D379-T383 WeakPolarHBondContact OD1-CB 3.46Å; D379-T383 PolarHBondContact OD1-N 2.87Å; D379-T383 PolarHBondContact OD1-OG1 3.38Å; D379-T383 WeakPolarHBondContact OD2-CB 3.5Å; K381-T383 PolarHBondContact O-N 3.37Å; K381-T383 PolarHBondContact O-OG1 3.09Å; T383-Y385 HydrophobicContact CG2-CE2 3.91Å; T383-Y385 WeakPolarHBondContact O-CD2 3.37Å; T383-Y385 WeakPolarHBondContact O-CE2 3.31Å | ||
| 384 | W | 92.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 133.6 | -176.3 | -67.6 | 77.1 | 0 | 0 | 0 | 111.6 | G179 L185 W201 W203 I294 C295 Y310 V376 T377 R378 | G179-W384 WeakPolarHBondContact CA-O 3.08Å; G179-W384 VanDerWaalsContact O-CD1 3.23Å; G179-W384 PolarHBondContact O-N 3.34Å; L185-W384 HydrophobicContact CD1-CH2 4.03Å; L185-W384 HydrophobicContact CD1-CZ2 3.75Å; L185-W384 HydrophobicContact CD2-CH2 4.05Å; L185-W384 HydrophobicContact CD2-CZ2 4.07Å; L185-W384 HydrophobicContact CG-CH2 4.47Å; L185-W384 HydrophobicContact CG-CZ2 4.08Å; W201-W384 HydrophobicContact CH2-CE3 4.37Å; W201-W384 AromaticContact CH2-CH2 3.52Å; W201-W384 HydrophobicContact CH2-CH2 3.52Å; W201-W384 HydrophobicContact CH2-CZ2 4.27Å; W201-W384 AromaticContact CH2-CZ3 3.61Å; W201-W384 HydrophobicContact CH2-CZ3 3.61Å; W201-W384 HydrophobicContact CZ3-CD2 4.27Å; W201-W384 AromaticContact CZ3-CE3 3.75Å; W201-W384 HydrophobicContact CZ3-CE3 3.75Å; W201-W384 AromaticContact CZ3-CH2 3.7Å; W201-W384 HydrophobicContact CZ3-CH2 3.7Å; W201-W384 HydrophobicContact CZ3-CZ2 4.24Å; W201-W384 AromaticContact CZ3-CZ3 3.45Å; W201-W384 HydrophobicContact CZ3-CZ3 3.45Å; W201-W384 VanDerWaalsContact CZ3-CZ3 3.45Å; W203-W384 HydrophobicContact CH2-CB 3.26Å; W203-W384 AromaticContact CH2-CD1 3.78Å; W203-W384 HydrophobicContact CH2-CD2 4.03Å; W203-W384 AromaticContact CH2-CG 3.37Å; W203-W384 HydrophobicContact CH2-CG 3.37Å; W203-W384 HydrophobicContact CZ2-CB 3.62Å; W203-W384 HydrophobicContact CZ2-CD2 4.1Å; W203-W384 HydrophobicContact CZ2-CE3 4.37Å; W203-W384 AromaticContact CZ2-CG 3.82Å; W203-W384 HydrophobicContact CZ2-CG 3.82Å; W203-W384 HydrophobicContact CZ3-CB 3.99Å; W203-W384 HydrophobicContact CZ3-CG 4.38Å; I294-W384 HydrophobicContact CG1-CB 4.46Å; I294-W384 VanDerWaalsContact CG1-O 3.24Å; I294-W384 WeakPolarHBondContact CG1-O 3.35Å; C295-W384 WeakPolarHBondContact CB-O 3.44Å; C295-W384 PolarHBondContact N-O 2.86Å; C295-W384 VanDerWaalsContact N-O 3.12Å; Y310-W384 AromaticContact CD2-CH2 3.72Å; Y310-W384 HydrophobicContact CD2-CH2 3.72Å; Y310-W384 AromaticContact CD2-CZ3 3.56Å; Y310-W384 HydrophobicContact CD2-CZ3 3.56Å; Y310-W384 AromaticContact CE2-CH2 3.82Å; Y310-W384 HydrophobicContact CE2-CH2 3.82Å; Y310-W384 HydrophobicContact CE2-CZ3 4.07Å; Y310-W384 HydrophobicContact CG-CH2 4.27Å; Y310-W384 HydrophobicContact CG-CZ3 4.14Å; V376-W384 HydrophobicContact CB-CE3 4.1Å; V376-W384 HydrophobicContact CG2-CE3 3.57Å; V376-W384 HydrophobicContact CG2-CZ3 3.75Å; T377-W384 CarbonylContact O-C 3.51Å; T377-W384 WeakPolarHBondContact O-CA 3.27Å; R378-W384 HydrophobicContact CB-CD2 3.69Å; R378-W384 HydrophobicContact CB-CE3 3.96Å; R378-W384 HydrophobicContact CB-CG 4.12Å; R378-W384 HydrophobicContact CB-CH2 4.34Å; R378-W384 HydrophobicContact CB-CZ2 4.08Å; R378-W384 HydrophobicContact CB-CZ3 4.26Å; R378-W384 HydrophobicContact CG-CH2 4.46Å; R378-W384 HydrophobicContact CG-CZ2 4.35Å |
| 385 | Y | 96.3 | Very high | 89.2 | Confident | 57 Ų | 57 | 28.2 Ų | 28.2 | 22% | 0.224 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 140.2 | -179 | -62.9 | -96.9 | 0 | 0 | 0 | 110.1 | C295 P297 V376 T377 D379 T383 I387 | C295-Y385 HydrophobicContact CB-CD1 3.45Å; C295-Y385 VanDerWaalsContact CB-CD1 3.45Å; C295-Y385 HydrophobicContact CB-CE1 3.56Å; C295-Y385 HydrophobicContact CB-CG 4.07Å; C295-Y385 WeakPolarHBondContact O-CA 3.43Å; P297-Y385 HydrophobicContact CB-CD1 4.38Å; V376-Y385 VanDerWaalsContact CA-O 3.25Å; V376-Y385 WeakPolarHBondContact CA-O 3.4Å; V376-Y385 WeakPolarHBondContact CB-O 3.33Å; T377-Y385 PolarHBondContact N-O 2.97Å; T377-Y385 VanDerWaalsContact N-O 3.1Å; T377-Y385 PolarHBondContact O-N 3.19Å; D379-Y385 HydrophobicContact CB-CD2 4.34Å; D379-Y385 HydrophobicContact CB-CE2 3.68Å; D379-Y385 VanDerWaalsContact OD2-CE2 3.32Å; D379-Y385 WeakPolarHBondContact OD2-CE2 3.35Å; D379-Y385 PolarHBondContact OD2-OH 2.81Å; T383-Y385 HydrophobicContact CG2-CE2 3.91Å; T383-Y385 WeakPolarHBondContact O-CD2 3.37Å; T383-Y385 WeakPolarHBondContact O-CE2 3.31Å; Y385-I387 PolarHBondContact O-N 2.95Å |
| 386 | L | 98.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 111.5 | 168.9 | -175.9 | 64.4 | 0 | 0 | 0 | 109 | T218 V226 I294 C295 L296 P297 P374 V376 G388 V408 | T218-L386 HydrophobicContact CG2-CD1 4.13Å; T218-L386 HydrophobicContact CG2-CD2 4.08Å; V226-L386 HydrophobicContact CG1-CD2 3.25Å; I294-L386 HydrophobicContact CD1-CB 3.96Å; I294-L386 HydrophobicContact CG1-CB 4.36Å; I294-L386 HydrophobicContact CG2-CB 3.79Å; C295-L386 PolarHBondContact O-N 2.76Å; L296-L386 HydrophobicContact CD2-CB 4.42Å; L296-L386 HydrophobicContact CD2-CD2 4.25Å; P297-L386 WeakPolarHBondContact CD-O 3.34Å; P297-L386 WeakPolarHBondContact CG-O 3.16Å; P374-L386 HydrophobicContact CB-CD1 3.53Å; V376-L386 HydrophobicContact CG1-CD1 4.22Å; L386-G388 WeakPolarHBondContact CD1-O 3.46Å; L386-V408 HydrophobicContact CD2-CG2 4.21Å; L386-V408 HydrophobicContact CG-CG2 3.93Å; L386-V408 WeakPolarHBondContact O-CG1 3.02Å |
| 387 | I | 98.2 | Very high | 87.9 | Confident | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | -24.6 | -177.3 | 67.6 | 164.5 | 0 | 0 | 0 | 112.2 | F303 V309 I334 F355 L375 T377 Y385 V408 | F303-I387 HydrophobicContact CD1-CG2 4.08Å; F303-I387 HydrophobicContact CD2-CB 3.96Å; F303-I387 HydrophobicContact CD2-CG2 3.82Å; F303-I387 HydrophobicContact CE1-CG2 3.62Å; F303-I387 HydrophobicContact CE2-CB 3.83Å; F303-I387 HydrophobicContact CE2-CG2 3.33Å; F303-I387 HydrophobicContact CG-CB 4.47Å; F303-I387 HydrophobicContact CG-CD1 4.31Å; F303-I387 HydrophobicContact CG-CG2 4.17Å; F303-I387 HydrophobicContact CZ-CB 4.24Å; F303-I387 HydrophobicContact CZ-CG2 3.23Å; V309-I387 HydrophobicContact CB-CD1 4.45Å; V309-I387 HydrophobicContact CG1-CD1 3.57Å; I334-I387 HydrophobicContact CD1-CD1 3.93Å; F355-I387 HydrophobicContact CZ-CD1 4.49Å; F355-I387 HydrophobicContact CZ-CG1 4.37Å; L375-I387 HydrophobicContact CD2-CD1 4.22Å; L375-I387 HydrophobicContact CD2-CG1 4.16Å; L375-I387 HydrophobicContact CG-CG1 4.32Å; L375-I387 WeakPolarHBondContact O-CG1 3.37Å; L375-I387 PolarHBondContact O-N 3.19Å; T377-I387 HydrophobicContact CG2-CD1 4.3Å; T377-I387 HydrophobicContact CG2-CG2 3.68Å; Y385-I387 PolarHBondContact O-N 2.95Å; I387-V408 PolarHBondContact O-N 3Å |
| 388 | G | 98.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 159.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L375 L386 T406 | L375-G388 PolarHBondContact N-O 2.87Å; L375-G388 PolarHBondContact O-N 3.09Å; L375-G388 VanDerWaalsContact O-N 3.11Å; L386-G388 WeakPolarHBondContact CD1-O 3.46Å; G388-T406 VanDerWaalsContact CA-O 3.25Å; G388-T406 WeakPolarHBondContact CA-O 3.46Å |
| 389 | I | 98.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 128.8 | 172.4 | -59.6 | 161.1 | 0 | 0 | 0 | 106.7 | V226 A228 I276 G373 S391 Y405 T406 V408 | V226-I389 HydrophobicContact CG1-CD1 4.47Å; V226-I389 HydrophobicContact CG2-CD1 3.61Å; A228-I389 HydrophobicContact CB-CG2 4.26Å; I276-I389 HydrophobicContact CD1-CD1 3.85Å; I276-I389 HydrophobicContact CG1-CD1 3.79Å; G373-I389 WeakPolarHBondContact O-CA 3.49Å; I389-S391 PolarHBondContact O-N 2.72Å; I389-Y405 CarbonylContact O-C 3.57Å; I389-Y405 WeakPolarHBondContact O-CA 3.3Å; I389-T406 PolarHBondContact N-O 2.69Å; I389-T406 VanDerWaalsContact N-O 3.09Å; I389-T406 PolarHBondContact O-N 2.93Å; I389-V408 HydrophobicContact CD1-CG2 4.1Å; I389-V408 HydrophobicContact CG1-CG2 3.91Å |
| 390 | V | 98.3 | Very high | 88.7 | Confident | 9 Ų | 9 | 40.1 Ų | 40.1 | 6% | 0.055 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 122.2 | 177.7 | 178.9 | 0 | 0 | 0 | 0 | 109 | A366 D370 G372 G373 Y405 | A366-V390 HydrophobicContact CB-CB 4.46Å; A366-V390 HydrophobicContact CB-CG1 3.55Å; A366-V390 HydrophobicContact CB-CG2 3.99Å; D370-V390 HydrophobicContact CB-CG1 4.24Å; D370-V390 WeakPolarHBondContact O-CB 3.28Å; G372-V390 PolarHBondContact N-O 3.25Å; G373-V390 PolarHBondContact O-N 2.94Å; V390-Y405 HydrophobicContact CB-CD1 4.5Å; V390-Y405 HydrophobicContact CB-CE1 4.37Å; V390-Y405 HydrophobicContact CG2-CD1 4.19Å; V390-Y405 HydrophobicContact CG2-CE1 3.73Å |
| 391 | S | 96.7 | Very high | 90.4 | Very high | 5 Ų | 5 | 39.3 Ų | 39.3 | 4% | 0.035 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | -64.3 | -173.8 | -177.3 | 0 | 0 | 0 | 0 | 111.8 | H230 D275 I389 V404 | H230-S391 PolarHBondContact CE1-O 3.15Å; D275-S391 WeakPolarHBondContact CB-OG 3.19Å; D275-S391 WeakPolarHBondContact OD2-CB 3.36Å; D275-S391 PolarHBondContact OD2-OG 2.64Å; I389-S391 PolarHBondContact O-N 2.72Å; S391-V404 WeakPolarHBondContact CB-O 3.43Å; S391-V404 PolarHBondContact N-O 2.91Å; S391-V404 VanDerWaalsContact N-O 3.14Å |
| 392 | W | 94.6 | Very high | 91.9 | Very high | 33 Ų | 33 | 35.4 Ų | 35.4 | 13% | 0.125 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 172 | -177.3 | 63 | -89.1 | 0 | 0 | 0 | 112.8 | Y346 D349 I350 M354 V404 | Y346-W392 AromaticContact CD1-CH2 3.77Å; Y346-W392 HydrophobicContact CD1-CH2 3.77Å; Y346-W392 AromaticContact CD1-CZ3 3.6Å; Y346-W392 HydrophobicContact CD1-CZ3 3.6Å; Y346-W392 HydrophobicContact CE1-CE3 4.4Å; Y346-W392 HydrophobicContact CE1-CH2 4.13Å; Y346-W392 AromaticContact CE1-CZ3 3.51Å; Y346-W392 HydrophobicContact CE1-CZ3 3.51Å; Y346-W392 HydrophobicContact CG-CH2 4.05Å; Y346-W392 HydrophobicContact CG-CZ3 4.28Å; D349-W392 HydrophobicContact CB-CH2 4.02Å; I350-W392 HydrophobicContact CD1-CH2 4.02Å; I350-W392 HydrophobicContact CD1-CZ2 3.92Å; M354-W392 HydrophobicContact SD-CZ2 4.26Å; W392-V404 HydrophobicContact CD2-CB 3.84Å; W392-V404 HydrophobicContact CD2-CG1 4.27Å; W392-V404 HydrophobicContact CD2-CG2 3.99Å; W392-V404 HydrophobicContact CE3-CB 4.37Å; W392-V404 HydrophobicContact CE3-CG2 4.04Å; W392-V404 HydrophobicContact CG-CB 4.17Å; W392-V404 HydrophobicContact CH2-CG2 3.9Å; W392-V404 HydrophobicContact CZ2-CB 4.08Å; W392-V404 HydrophobicContact CZ2-CG1 3.84Å; W392-V404 HydrophobicContact CZ2-CG2 3.83Å; W392-V404 HydrophobicContact CZ3-CG2 4.01Å; W392-V404 PolarHBondContact N-O 2.91Å; W392-V404 VanDerWaalsContact N-O 3.16Å; W392-V404 WeakPolarHBondContact O-CA 3.46Å; W392-V404 WeakPolarHBondContact O-CB 3.24Å; W392-V404 PolarHBondContact O-N 3.08Å |
| 393 | G | 90.9 | Very high | 93 | Very high | 27 Ų | 27 | 33 Ų | 33 | 28% | 0.278 | 17% | 0.168 | S | C | . | . | trans | -172.4 | 162.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | N395 | G393-N395 PolarHBondContact O-N 2.96Š| ||
| 394 | D | 88.6 | Confident | 93.8 | Very high | 56 Ų | 56 | 32.3 Ų | 32.3 | 30% | 0.299 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -83.4 | 104.2 | 171.3 | -76.3 | -9.8 | 0 | 0 | 0 | 109.4 | Y346 K401 | Y346-D394 HydrophobicContact CE1-CB 4.21Å; Y346-D394 PolarHBondContact OH-N 3.23Å; D394-K401 HydrophobicContact CB-CB 4.05Å; D394-K401 HydrophobicContact CB-CD 3.84Å; D394-K401 HydrophobicContact CB-CG 3.88Å; D394-K401 WeakPolarHBondContact OD2-CD 3.38Å; D394-K401 VanDerWaalsContact OD2-CE 3.31Å; D394-K401 WeakPolarHBondContact OD2-CE 3.23Å; D394-K401 IonicContact OD2-NZ 2.82Å; D394-K401 PolarHBondContact OD2-NZ 3.2Å |
| 395 | N | 85.9 | Confident | 94 | Very high | 71 Ų | 71 | 32.3 Ų | 32.3 | 38% | 0.38 | 16% | 0.164 | S | C | . | . | S | Bend | trans | 56.3 | -151.5 | -168.7 | -56.6 | -48.9 | 0 | 0 | 0 | 111 | Y319 G393 Q398 | Y319-N395 HydrophobicContact CD2-CB 3.94Å; Y319-N395 HydrophobicContact CE2-CB 4.4Å; Y319-N395 WeakPolarHBondContact CE2-OD1 3.42Å; Y319-N395 HydrophobicContact CG-CB 4.17Å; Y319-N395 VanDerWaalsContact CZ-OD1 3.28Å; G393-N395 PolarHBondContact O-N 2.96Å; N395-Q398 PolarHBondContact ND2-OE1 3.17Å |
| 396 | C | 85.1 | Confident | 94.1 | Very high | 31 Ų | 31 | 29.8 Ų | 29.8 | 21% | 0.209 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -132.3 | 126.1 | 177.9 | -44.5 | 0 | 0 | 0 | 0 | 108.9 | C367 Q398 | C367-C396 WeakPolarHBondContact CA-SG 3.43Å; C367-C396 HydrophobicContact CB-CB 3.6Å; C367-C396 WeakPolarHBondContact CB-SG 3.28Å; C367-C396 WeakPolarHBondContact SG-CB 3.39Å; C367-C396 CovalentContact SG-SG 2.03Å; C367-C396 PolarHBondContact SG-SG 3.46Å; C396-Q398 VanDerWaalsContact C-N 3.28Å; C396-Q398 PolarHBondContact O-N 3.5Å |
| 397 | G | 83.6 | Confident | 94.1 | Very high | 22 Ų | 22 | 32.6 Ų | 32.6 | 23% | 0.227 | 17% | 0.168 | C | C | . | . | S | Bend | trans | 70.7 | 22.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | G362 I363 D365 | G362-G397 WeakPolarHBondContact CA-O 3.18Å; I363-G397 PolarHBondContact N-O 2.81Å; D365-G397 PolarHBondContact OD2-N 3.25Å; D365-G397 VanDerWaalsContact OD2-N 3.07Å |
| 398 | Q | 89.1 | Confident | 94.1 | Very high | 80 Ų | 80 | 32.5 Ų | 32.5 | 37% | 0.374 | 17% | 0.167 | S | C | . | . | trans | -79.1 | 143.7 | 178.1 | 177 | 171.8 | -18.7 | 0 | 0 | 111 | N395 C396 K401 | N395-Q398 PolarHBondContact ND2-OE1 3.17Å; C396-Q398 VanDerWaalsContact C-N 3.28Å; C396-Q398 PolarHBondContact O-N 3.5Å; Q398-K401 HydrophobicContact CB-CB 4.01Å; Q398-K401 HydrophobicContact CB-CG 4.36Å; Q398-K401 HydrophobicContact CG-CB 4.16Å; Q398-K401 HydrophobicContact CG-CG 3.97Å; Q398-K401 PolarHBondContact O-N 3.33Å | ||
| 399 | R | 93.1 | Very high | 94 | Very high | 183 Ų | 183 | 33 Ų | 33 | 69% | 0.691 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | 138.4 | 175.4 | -171.6 | -175 | 176.1 | 165.1 | 4.2 | 110.5 | M360 K401 | M360-R399 WeakPolarHBondContact O-CG 3.06Å; R399-K401 PolarHBondContact O-N 3.09Å; R399-K401 VanDerWaalsContact O-N 3.13Å |
| 400 | D | 95 | Very high | 93.9 | Very high | 55 Ų | 55 | 38.5 Ų | 38.5 | 29% | 0.294 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 14.1 | -178.6 | -55.9 | -48.6 | 0 | 0 | 0 | 114.4 | V345 M360 | V345-D400 WeakPolarHBondContact CA-O 3.43Å; V345-D400 WeakPolarHBondContact CG1-O 3.45Å; M360-D400 HydrophobicContact CE-CB 4.18Å; M360-D400 PolarHBondContact O-N 2.95Å |
| 401 | K | 95.8 | Very high | 93.9 | Very high | 38 Ų | 38 | 38.4 Ų | 38.4 | 17% | 0.165 | 19% | 0.19 | C | C | . | . | trans | -128.9 | 70.5 | -178.9 | -61.8 | -60.7 | -176.5 | 157.8 | 0 | 110.5 | V345 Y346 D394 Q398 R399 | V345-K401 WeakPolarHBondContact O-CD 3.48Å; V345-K401 WeakPolarHBondContact O-CE 3.31Å; V345-K401 PolarHBondContact O-NZ 3.16Å; Y346-K401 HydrophobicContact CD1-CD 4.42Å; Y346-K401 HydrophobicContact CE1-CD 3.86Å; D394-K401 HydrophobicContact CB-CB 4.05Å; D394-K401 HydrophobicContact CB-CD 3.84Å; D394-K401 HydrophobicContact CB-CG 3.88Å; D394-K401 WeakPolarHBondContact OD2-CD 3.38Å; D394-K401 VanDerWaalsContact OD2-CE 3.31Å; D394-K401 WeakPolarHBondContact OD2-CE 3.23Å; D394-K401 IonicContact OD2-NZ 2.82Å; D394-K401 PolarHBondContact OD2-NZ 3.2Å; Q398-K401 HydrophobicContact CB-CB 4.01Å; Q398-K401 HydrophobicContact CB-CG 4.36Å; Q398-K401 HydrophobicContact CG-CB 4.16Å; Q398-K401 HydrophobicContact CG-CG 3.97Å; Q398-K401 PolarHBondContact O-N 3.33Å; R399-K401 PolarHBondContact O-N 3.09Å; R399-K401 VanDerWaalsContact O-N 3.13Å | ||
| 402 | P | 95.8 | Very high | 93.9 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 3% | 0.026 | 19% | 0.193 | C | C | . | . | trans | -68.3 | 162.9 | 177.8 | 31.5 | -36.4 | 0 | 0 | 0 | 111.5 | I335 V345 Y346 C356 M360 | I335-P402 HydrophobicContact CD1-CB 3.33Å; I335-P402 HydrophobicContact CD1-CG 3.61Å; V345-P402 HydrophobicContact CG1-CG 4.28Å; Y346-P402 HydrophobicContact CE2-CG 4.06Å; Y346-P402 WeakPolarHBondContact CE2-O 3.32Å; Y346-P402 VanDerWaalsContact CZ-O 3.31Å; Y346-P402 PolarHBondContact OH-O 3.18Å; C356-P402 HydrophobicContact CB-CG 4.19Å; M360-P402 HydrophobicContact SD-CG 4.21Å | ||
| 403 | G | 95.8 | Very high | 93.7 | Very high | 4 Ų | 4 | 43.3 Ų | 43.3 | 4% | 0.041 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 142.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | C356 A357 D365 Y405 | C356-G403 WeakPolarHBondContact CA-O 3.49Å; A357-G403 PolarHBondContact N-O 3.31Å; A357-G403 PolarHBondContact O-N 3.11Å; D365-G403 VanDerWaalsContact OD1-CA 3.23Å; D365-G403 WeakPolarHBondContact OD1-CA 3.19Å; D365-G403 PolarHBondContact OD1-N 3.09Å; G403-Y405 WeakPolarHBondContact O-CD2 3.18Å; G403-Y405 VanDerWaalsContact O-CE2 3.28Å; G403-Y405 WeakPolarHBondContact O-CE2 3.24Å |
| 404 | V | 97.6 | Very high | 94 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 132 | 175.2 | -173.2 | 0 | 0 | 0 | 0 | 109.7 | Y346 I350 M354 S391 W392 | Y346-V404 HydrophobicContact CD2-CG2 3.99Å; Y346-V404 HydrophobicContact CE2-CG2 3.58Å; I350-V404 HydrophobicContact CD1-CG1 4.03Å; I350-V404 HydrophobicContact CD1-CG2 3.77Å; M354-V404 HydrophobicContact CB-CG1 4.03Å; M354-V404 HydrophobicContact CG-CG1 4.49Å; M354-V404 HydrophobicContact SD-CG1 4.27Å; S391-V404 WeakPolarHBondContact CB-O 3.43Å; S391-V404 PolarHBondContact N-O 2.91Å; S391-V404 VanDerWaalsContact N-O 3.14Å; W392-V404 HydrophobicContact CD2-CB 3.84Å; W392-V404 HydrophobicContact CD2-CG1 4.27Å; W392-V404 HydrophobicContact CD2-CG2 3.99Å; W392-V404 HydrophobicContact CE3-CB 4.37Å; W392-V404 HydrophobicContact CE3-CG2 4.04Å; W392-V404 HydrophobicContact CG-CB 4.17Å; W392-V404 HydrophobicContact CH2-CG2 3.9Å; W392-V404 HydrophobicContact CZ2-CB 4.08Å; W392-V404 HydrophobicContact CZ2-CG1 3.84Å; W392-V404 HydrophobicContact CZ2-CG2 3.83Å; W392-V404 HydrophobicContact CZ3-CG2 4.01Å; W392-V404 PolarHBondContact N-O 2.91Å; W392-V404 VanDerWaalsContact N-O 3.16Å; W392-V404 WeakPolarHBondContact O-CA 3.46Å; W392-V404 WeakPolarHBondContact O-CB 3.24Å; W392-V404 PolarHBondContact O-N 3.08Å |
| 405 | Y | 98.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 142.3 | -172.8 | -58.6 | -98.1 | 0 | 0 | 0 | 110.8 | I311 M354 F355 A357 L375 I389 V390 G403 Q407 | I311-Y405 HydrophobicContact CG2-CE1 3.69Å; I311-Y405 VanDerWaalsContact CG2-OH 3.31Å; I311-Y405 WeakPolarHBondContact CG2-OH 3.4Å; M354-Y405 WeakPolarHBondContact CA-O 3.33Å; F355-Y405 PolarHBondContact N-O 2.87Å; F355-Y405 PolarHBondContact O-N 3.17Å; A357-Y405 HydrophobicContact CB-CD2 4.02Å; A357-Y405 HydrophobicContact CB-CE2 3.64Å; L375-Y405 HydrophobicContact CB-CD1 3.7Å; L375-Y405 HydrophobicContact CB-CE1 3.87Å; L375-Y405 HydrophobicContact CB-CG 4.45Å; L375-Y405 HydrophobicContact CD1-CD1 4.45Å; L375-Y405 HydrophobicContact CD1-CE1 3.94Å; L375-Y405 HydrophobicContact CD2-CD1 4.07Å; L375-Y405 HydrophobicContact CD2-CD2 4.25Å; L375-Y405 HydrophobicContact CD2-CE1 4.33Å; L375-Y405 HydrophobicContact CD2-CG 4.04Å; L375-Y405 HydrophobicContact CG-CD1 4.29Å; L375-Y405 HydrophobicContact CG-CE1 4.26Å; I389-Y405 CarbonylContact O-C 3.57Å; I389-Y405 WeakPolarHBondContact O-CA 3.3Å; V390-Y405 HydrophobicContact CB-CD1 4.5Å; V390-Y405 HydrophobicContact CB-CE1 4.37Å; V390-Y405 HydrophobicContact CG2-CD1 4.19Å; V390-Y405 HydrophobicContact CG2-CE1 3.73Å; G403-Y405 WeakPolarHBondContact O-CD2 3.18Å; G403-Y405 VanDerWaalsContact O-CE2 3.28Å; G403-Y405 WeakPolarHBondContact O-CE2 3.24Å; Y405-Q407 PolarHBondContact O-N 3.41Å |
| 406 | T | 98.6 | Very high | 94.4 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.018 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 124.5 | 169.1 | -56 | 0 | 0 | 0 | 0 | 109.3 | D275 I276 G388 I389 V408 Y411 | D275-T406 PolarHBondContact O-OG1 2.87Å; I276-T406 HydrophobicContact CB-CG2 4.18Å; G388-T406 VanDerWaalsContact CA-O 3.25Å; G388-T406 WeakPolarHBondContact CA-O 3.46Å; I389-T406 PolarHBondContact N-O 2.69Å; I389-T406 VanDerWaalsContact N-O 3.09Å; I389-T406 PolarHBondContact O-N 2.93Å; T406-V408 PolarHBondContact O-N 3.45Å; T406-Y411 HydrophobicContact CG2-CD2 3.47Å; T406-Y411 VanDerWaalsContact CG2-CD2 3.47Å; T406-Y411 HydrophobicContact CG2-CE2 3.34Å |
| 407 | Q | 98.3 | Very high | 94.7 | Very high | 60 Ų | 60 | 41 Ų | 41 | 28% | 0.28 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 108.8 | -176.4 | -168.2 | -179.7 | 27 | 0 | 0 | 112 | G353 F355 Y405 T409 Y410 Y411 | G353-Q407 WeakPolarHBondContact O-CB 3.32Å; G353-Q407 PolarHBondContact O-N 3.39Å; F355-Q407 HydrophobicContact CD1-CB 3.81Å; F355-Q407 HydrophobicContact CD1-CG 4.07Å; F355-Q407 HydrophobicContact CE1-CB 4.21Å; F355-Q407 HydrophobicContact CE1-CG 4.39Å; Y405-Q407 PolarHBondContact O-N 3.41Å; Q407-T409 VanDerWaalsContact C-N 3.34Å; Q407-T409 PolarHBondContact O-N 3.17Å; Q407-Y410 WeakPolarHBondContact O-CB 3.31Å; Q407-Y410 PolarHBondContact O-N 3.27Å; Q407-Y411 VanDerWaalsContact O-CD2 3.24Å; Q407-Y411 WeakPolarHBondContact O-CD2 3.01Å; Q407-Y411 PolarHBondContact O-N 2.91Å |
| 408 | V | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -34.9 | -171 | 172.7 | 0 | 0 | 0 | 0 | 112.7 | L296 P297 L386 I387 I389 T406 Y410 Y411 R412 I415 | L296-V408 HydrophobicContact CD2-CG1 4.05Å; P297-V408 HydrophobicContact CG-CG1 4.3Å; L386-V408 HydrophobicContact CD2-CG2 4.21Å; L386-V408 HydrophobicContact CG-CG2 3.93Å; L386-V408 WeakPolarHBondContact O-CG1 3.02Å; I387-V408 PolarHBondContact O-N 3Å; I389-V408 HydrophobicContact CD1-CG2 4.1Å; I389-V408 HydrophobicContact CG1-CG2 3.91Å; T406-V408 PolarHBondContact O-N 3.45Å; V408-Y410 VanDerWaalsContact C-N 3.3Å; V408-Y410 PolarHBondContact O-N 3.28Å; V408-Y411 CarbonylContact O-C 3.48Å; V408-Y411 PolarHBondContact O-N 2.88Å; V408-R412 PolarHBondContact O-N 3.38Å; V408-I415 HydrophobicContact CG1-CD1 4.12Å |
| 409 | T | 95.1 | Very high | 95.1 | Very high | 9 Ų | 9 | 39.9 Ų | 39.9 | 6% | 0.055 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -38.2 | 177.2 | 52.1 | 0 | 0 | 0 | 0 | 111.8 | P297 A301 F303 Q407 Y411 R412 | P297-T409 HydrophobicContact CB-CG2 3.88Å; P297-T409 HydrophobicContact CG-CG2 3.55Å; A301-T409 HydrophobicContact CB-CG2 4.05Å; A301-T409 WeakPolarHBondContact O-CG2 3.12Å; F303-T409 HydrophobicContact CE2-CG2 3.87Å; Q407-T409 VanDerWaalsContact C-N 3.34Å; Q407-T409 PolarHBondContact O-N 3.17Å; T409-Y411 VanDerWaalsContact C-N 3.31Å; T409-Y411 PolarHBondContact O-N 3.06Å; T409-R412 VanDerWaalsContact O-CB 3.3Å; T409-R412 WeakPolarHBondContact O-CB 3.23Å; T409-R412 PolarHBondContact O-N 2.03Å |
| 410 | Y | 97.8 | Very high | 94.4 | Very high | 117 Ų | 117 | 34.6 Ų | 34.6 | 46% | 0.459 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -38.4 | 175.2 | -169.5 | -88.7 | 0 | 0 | 0 | 112.1 | Q407 V408 | Q407-Y410 WeakPolarHBondContact O-CB 3.31Å; Q407-Y410 PolarHBondContact O-N 3.27Å; V408-Y410 VanDerWaalsContact C-N 3.3Å; V408-Y410 PolarHBondContact O-N 3.28Å |
| 411 | Y | 98.1 | Very high | 93.6 | Very high | 6 Ų | 6 | 35.6 Ų | 35.6 | 2% | 0.024 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 9.1 | 179.8 | -61.3 | -74.3 | 0 | 0 | 0 | 114.1 | H264 Y274 I276 T406 Q407 V408 T409 N413 W414 I415 | H264-Y411 AromaticContact CD2-CD1 3.96Å; Y274-Y411 WeakPolarHBondContact CA-OH 3.07Å; Y274-Y411 AromaticContact CD1-CE1 3.58Å; Y274-Y411 HydrophobicContact CD1-CE1 3.58Å; Y274-Y411 HydrophobicContact CE1-CE1 4.19Å; Y274-Y411 HydrophobicContact CG-CE1 4.37Å; Y274-Y411 PolarHBondContact N-OH 3.23Å; I276-Y411 HydrophobicContact CD1-CG 4.15Å; I276-Y411 HydrophobicContact CG2-CD1 4.02Å; I276-Y411 HydrophobicContact CG2-CE1 4.45Å; I276-Y411 HydrophobicContact CG2-CG 4.07Å; T406-Y411 HydrophobicContact CG2-CD2 3.47Å; T406-Y411 VanDerWaalsContact CG2-CD2 3.47Å; T406-Y411 HydrophobicContact CG2-CE2 3.34Å; Q407-Y411 VanDerWaalsContact O-CD2 3.24Å; Q407-Y411 WeakPolarHBondContact O-CD2 3.01Å; Q407-Y411 PolarHBondContact O-N 2.91Å; V408-Y411 CarbonylContact O-C 3.48Å; V408-Y411 PolarHBondContact O-N 2.88Å; T409-Y411 VanDerWaalsContact C-N 3.31Å; T409-Y411 PolarHBondContact O-N 3.06Å; Y411-N413 VanDerWaalsContact C-N 3.32Å; Y411-N413 PolarHBondContact O-N 2.77Å; Y411-W414 WeakPolarHBondContact O-CB 3.09Å; Y411-W414 PolarHBondContact O-N 3.07Å; Y411-I415 WeakPolarHBondContact O-CG1 3.34Å; Y411-I415 PolarHBondContact O-N 3.13Å |
| 412 | R | 95.4 | Very high | 93.5 | Very high | 24 Ų | 24 | 35.5 Ų | 35.5 | 9% | 0.091 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.9 | -42 | -173 | 177.2 | 59.3 | -176.8 | 98.8 | -4.7 | 113 | P297 A299 V408 T409 I415 A416 L421 | P297-R412 WeakPolarHBondContact O-CD 3.26Å; P297-R412 WeakPolarHBondContact O-CG 3.42Å; P297-R412 PolarHBondContact O-NE 2.83Å; P297-R412 VanDerWaalsContact O-NE 3.15Å; A299-R412 HydrophobicContact CB-CB 3.91Å; A299-R412 HydrophobicContact CB-CG 4.09Å; V408-R412 PolarHBondContact O-N 3.38Å; T409-R412 VanDerWaalsContact O-CB 3.3Å; T409-R412 WeakPolarHBondContact O-CB 3.23Å; T409-R412 PolarHBondContact O-N 2.03Å; R412-I415 PolarHBondContact O-N 2.9Å; R412-A416 PolarHBondContact O-N 2.93Å; R412-A416 VanDerWaalsContact O-N 3.08Å; R412-L421 PolarHBondContact NH1-O 2.86Å; R412-L421 PolarHBondContact NH2-O 3.04Å; R412-L421 PolarHBondContact NH2-OXT 3.5Å |
| 413 | N | 91.4 | Very high | 93.4 | Very high | 117 Ų | 117 | 37.2 Ų | 37.2 | 63% | 0.626 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -68.9 | -36 | 177.7 | -68.6 | -19.6 | 0 | 0 | 0 | 111.8 | Y411 A416 S417 | Y411-N413 VanDerWaalsContact C-N 3.32Å; Y411-N413 PolarHBondContact O-N 2.77Å; N413-A416 WeakPolarHBondContact O-CB 3.43Å; N413-A416 PolarHBondContact O-N 2.76Å; N413-S417 PolarHBondContact O-N 2.99Å |
| 414 | W | 98.1 | Very high | 93.3 | Very high | 25 Ų | 25 | 39 Ų | 39 | 10% | 0.095 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.3 | -46.6 | 174.9 | 179.6 | 90 | 0 | 0 | 0 | 110.6 | I262 H264 E265 I276 V278 Y411 A416 S417 K418 | I262-W414 HydrophobicContact CG2-CZ2 4.33Å; H264-W414 VanDerWaalsContact CA-CZ2 3.46Å; H264-W414 HydrophobicContact CB-CH2 4.41Å; H264-W414 HydrophobicContact CB-CZ2 3.89Å; H264-W414 AromaticContact CD2-CD1 3.38Å; H264-W414 AromaticContact CD2-CD2 3.53Å; H264-W414 AromaticContact CD2-CE2 3.46Å; H264-W414 VanDerWaalsContact CD2-CE2 3.46Å; H264-W414 AromaticContact CD2-CG 3.53Å; H264-W414 AromaticContact CD2-NE1 3.31Å; H264-W414 PolarHBondContact CD2-NE1 2.87Å; H264-W414 VanDerWaalsContact CD2-NE1 3.31Å; H264-W414 AromaticContact CG-CE2 3.91Å; H264-W414 AromaticContact CG-NE1 3.77Å; H264-W414 AromaticContact NE2-CD1 3.37Å; H264-W414 AromaticContact NE2-CG 3.74Å; H264-W414 AromaticContact NE2-NE1 3.68Å; E265-W414 PolarHBondContact OE2-NE1 3.05Å; I276-W414 HydrophobicContact CB-CZ3 4.39Å; I276-W414 HydrophobicContact CD1-CE3 4.07Å; I276-W414 HydrophobicContact CD1-CZ3 4Å; I276-W414 HydrophobicContact CG1-CE3 4.33Å; I276-W414 HydrophobicContact CG1-CZ3 3.82Å; I276-W414 HydrophobicContact CG2-CE3 3.99Å; I276-W414 HydrophobicContact CG2-CH2 4.32Å; I276-W414 HydrophobicContact CG2-CZ3 3.87Å; V278-W414 HydrophobicContact CG1-CH2 4.37Å; V278-W414 HydrophobicContact CG1-CZ3 3.94Å; V278-W414 HydrophobicContact CG2-CH2 4.27Å; Y411-W414 WeakPolarHBondContact O-CB 3.09Å; Y411-W414 PolarHBondContact O-N 3.07Å; W414-A416 VanDerWaalsContact C-N 3.29Å; W414-A416 PolarHBondContact O-N 3.48Å; W414-S417 PolarHBondContact O-N 3.23Å; W414-S417 VanDerWaalsContact O-N 3.11Å; W414-S417 PolarHBondContact O-OG 3.26Å; W414-K418 HydrophobicContact CD2-CG 4.18Å; W414-K418 HydrophobicContact CH2-CG 4.34Å; W414-K418 HydrophobicContact CZ2-CG 3.88Å; W414-K418 VanDerWaalsContact NE1-CE 3.31Å; W414-K418 WeakPolarHBondContact O-CG 3.29Å; W414-K418 PolarHBondContact O-N 2.92Å; W414-K418 VanDerWaalsContact O-N 3.16Å |
| 415 | I | 95.3 | Very high | 93 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.1 | -46.5 | 174.7 | -63.4 | 168.1 | 0 | 0 | 0 | 110.4 | I220 V226 I276 L296 V408 Y411 R412 S417 K418 T419 | I220-I415 HydrophobicContact CD1-CG2 4.03Å; V226-I415 HydrophobicContact CG2-CD1 4.4Å; I276-I415 HydrophobicContact CD1-CD1 3.97Å; I276-I415 HydrophobicContact CD1-CG1 3.93Å; L296-I415 HydrophobicContact CD1-CG2 3.79Å; L296-I415 HydrophobicContact CD2-CD1 4.37Å; V408-I415 HydrophobicContact CG1-CD1 4.12Å; Y411-I415 WeakPolarHBondContact O-CG1 3.34Å; Y411-I415 PolarHBondContact O-N 3.13Å; R412-I415 PolarHBondContact O-N 2.9Å; I415-S417 PolarHBondContact O-N 3.21Å; I415-K418 PolarHBondContact O-N 2.82Å; I415-T419 HydrophobicContact CG2-CG2 4.45Å; I415-T419 WeakPolarHBondContact O-CB 3.31Å; I415-T419 WeakPolarHBondContact O-CG2 3.43Å; I415-T419 PolarHBondContact O-N 3.21Å; I415-T419 PolarHBondContact O-OG1 2.82Å |
| 416 | A | 87.1 | Confident | 92.7 | Very high | 32 Ų | 32 | 43.8 Ų | 43.8 | 26% | 0.264 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -58.8 | -47 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | R412 N413 W414 K418 T419 G420 L421 | R412-A416 PolarHBondContact O-N 2.93Å; R412-A416 VanDerWaalsContact O-N 3.08Å; N413-A416 WeakPolarHBondContact O-CB 3.43Å; N413-A416 PolarHBondContact O-N 2.76Å; W414-A416 VanDerWaalsContact C-N 3.29Å; W414-A416 PolarHBondContact O-N 3.48Å; A416-K418 PolarHBondContact O-N 2.86Å; A416-T419 PolarHBondContact O-N 2.69Å; A416-G420 WeakPolarHBondContact O-CA 3.21Å; A416-G420 PolarHBondContact O-N 3.42Å; A416-L421 WeakPolarHBondContact CA-O 3.46Å; A416-L421 WeakPolarHBondContact CB-O 3.21Å |
| 417 | S | 91.2 | Very high | 92.3 | Very high | 81 Ų | 81 | 46.5 Ų | 46.5 | 57% | 0.566 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -60.9 | -29.5 | -179.4 | 79.5 | 0 | 0 | 0 | 0 | 113.8 | N413 W414 I415 | N413-S417 PolarHBondContact O-N 2.99Å; W414-S417 PolarHBondContact O-N 3.23Å; W414-S417 VanDerWaalsContact O-N 3.11Å; W414-S417 PolarHBondContact O-OG 3.26Å; I415-S417 PolarHBondContact O-N 3.21Å |
| 418 | K | 94.8 | Very high | 91.9 | Very high | 58 Ų | 58 | 45.5 Ų | 45.5 | 25% | 0.252 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -91.9 | -29.6 | -178 | -57.9 | -44 | 178.8 | -170.2 | 0 | 113.6 | I262 E265 V278 W414 I415 A416 | I262-K418 HydrophobicContact CD1-CB 4.22Å; I262-K418 HydrophobicContact CG2-CD 4.26Å; I262-K418 HydrophobicContact CG2-CG 4.29Å; E265-K418 WeakPolarHBondContact OE1-CE 3.42Å; E265-K418 IonicContact OE1-NZ 2.94Å; E265-K418 PolarHBondContact OE1-NZ 3.38Å; E265-K418 IonicContact OE2-NZ 2.7Å; V278-K418 HydrophobicContact CG2-CB 3.91Å; W414-K418 HydrophobicContact CD2-CG 4.18Å; W414-K418 HydrophobicContact CH2-CG 4.34Å; W414-K418 HydrophobicContact CZ2-CG 3.88Å; W414-K418 VanDerWaalsContact NE1-CE 3.31Å; W414-K418 WeakPolarHBondContact O-CG 3.29Å; W414-K418 PolarHBondContact O-N 2.92Å; W414-K418 VanDerWaalsContact O-N 3.16Å; I415-K418 PolarHBondContact O-N 2.82Å; A416-K418 PolarHBondContact O-N 2.86Å |
| 419 | T | 85.6 | Confident | 91.4 | Very high | 20 Ų | 20 | 49 Ų | 49 | 12% | 0.123 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -116.4 | -21.6 | -168.2 | 67.4 | 0 | 0 | 0 | 0 | 114 | W224 V278 I415 A416 L421 | W224-T419 HydrophobicContact CB-CG2 4.38Å; W224-T419 HydrophobicContact CD2-CG2 3.67Å; W224-T419 HydrophobicContact CE3-CG2 3.75Å; W224-T419 HydrophobicContact CG-CG2 3.97Å; W224-T419 HydrophobicContact CZ2-CG2 4.48Å; W224-T419 HydrophobicContact CZ3-CG2 4.18Å; V278-T419 HydrophobicContact CB-CG2 4.02Å; V278-T419 HydrophobicContact CG1-CG2 3.86Å; V278-T419 HydrophobicContact CG2-CG2 4.02Å; I415-T419 HydrophobicContact CG2-CG2 4.45Å; I415-T419 WeakPolarHBondContact O-CB 3.31Å; I415-T419 WeakPolarHBondContact O-CG2 3.43Å; I415-T419 PolarHBondContact O-N 3.21Å; I415-T419 PolarHBondContact O-OG1 2.82Å; A416-T419 PolarHBondContact O-N 2.69Å; T419-L421 VanDerWaalsContact C-N 3.34Å; T419-L421 WeakPolarHBondContact OG1-CB 3.36Å; T419-L421 PolarHBondContact OG1-N 3.34Å |
| 420 | G | 79.4 | Confident | 91.1 | Very high | 72 Ų | 72 | 52.3 Ų | 52.3 | 74% | 0.742 | 30% | 0.303 | S | S | * | . | trans | 76.4 | 15.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | A416 | A416-G420 WeakPolarHBondContact O-CA 3.21Å; A416-G420 PolarHBondContact O-N 3.42Å | ||
| 421 | L | 78.4 | Confident | 90.4 | Very high | 76 Ų | 76 | 46.5 Ų | 46.5 | 40% | 0.398 | 29% | 0.289 | S | S | . | . | trans | -99.7 | 0 | -178.3 | -60.6 | 172.1 | 0 | 0 | 0 | 113.4 | I220 W224 R412 A416 T419 | I220-L421 HydrophobicContact CB-CD1 4.4Å; I220-L421 HydrophobicContact CD1-CD1 3.85Å; I220-L421 HydrophobicContact CG1-CD1 3.84Å; W224-L421 HydrophobicContact CB-CD1 4.25Å; R412-L421 PolarHBondContact NH1-O 2.86Å; R412-L421 PolarHBondContact NH2-O 3.04Å; R412-L421 PolarHBondContact NH2-OXT 3.5Å; A416-L421 WeakPolarHBondContact CA-O 3.46Å; A416-L421 WeakPolarHBondContact CB-O 3.21Å; T419-L421 VanDerWaalsContact C-N 3.34Å; T419-L421 WeakPolarHBondContact OG1-CB 3.36Å; T419-L421 PolarHBondContact OG1-N 3.34Å |
Retrieved 421 of 421 residues in 1375.7 ms
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