| 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 | 28.4 | Very low | 36.9 | Very low | 200 Ų | 200 | 90.4 Ų | 90.4 | 99% | 0.985 | 42% | 0.423 | S | S | * | . | 0 | 114.1 | 0 | -79.3 | 179.2 | -170.1 | 0 | 0 | 107.9 | Y3 | M1-Y3 HydrophobicContact CB-CD2 4.37Å; M1-Y3 HydrophobicContact CB-CE2 4.08Å; M1-Y3 HydrophobicContact SD-CE2 4.47Å | |||
| 2 | Y | 25 | Very low | 36.4 | Very low | 224 Ų | 224 | 95.8 Ų | 95.8 | 88% | 0.878 | 46% | 0.457 | S | S | * | . | trans | -94.7 | 112.7 | -178.9 | -71.9 | -84.1 | 0 | 0 | 0 | 109.3 | ||||
| 3 | Y | 33.9 | Very low | 36 | Very low | 148 Ų | 148 | 107.2 Ų | 107.2 | 58% | 0.58 | 49% | 0.492 | S | S | * | . | trans | -126.1 | 108.3 | 167.4 | -67.5 | -76.5 | 0 | 0 | 0 | 107.2 | M1 | M1-Y3 HydrophobicContact CB-CD2 4.37Å; M1-Y3 HydrophobicContact CB-CE2 4.08Å; M1-Y3 HydrophobicContact SD-CE2 4.47Å | ||
| 4 | T | 34.6 | Very low | 35.3 | Very low | 68 Ų | 68 | 105.7 Ų | 105.7 | 42% | 0.417 | 51% | 0.508 | S | S | . | . | trans | -99.5 | 142.2 | 173.3 | 40.8 | 0 | 0 | 0 | 0 | 107.9 | W6 | T4-W6 VanDerWaalsContact O-CZ2 3.23Å; T4-W6 WeakPolarHBondContact O-CZ2 3.36Å; T4-W6 PolarHBondContact O-NE1 3.43Å; T4-W6 WeakPolarHBondContact OG1-CH2 3.43Å; T4-W6 WeakPolarHBondContact OG1-CZ2 3.47Å; T4-W6 WeakPolarHBondContact OG1-CZ3 3.41Å | ||
| 5 | N | 43 | Very low | 34.7 | Very low | 19 Ų | 19 | 107.6 Ų | 107.6 | 10% | 0.102 | 54% | 0.535 | C | S | . | . | trans | -96 | 155.8 | 164.4 | -83.2 | -3.7 | 0 | 0 | 0 | 112.1 | E186 N187 | N5-E186 HydrophobicContact CB-CB 3.55Å; N5-E186 WeakPolarHBondContact CB-O 3.17Å; N5-E186 WeakPolarHBondContact ND2-CA 3.4Å; N5-E186 WeakPolarHBondContact ND2-CB 3.14Å; N5-E186 PolarHBondContact ND2-O 3.36Å; N5-N187 VanDerWaalsContact ND2-CG 3.34Å; N5-N187 PolarHBondContact ND2-N 3.23Å; N5-N187 PolarHBondContact ND2-OD1 3.05Å | ||
| 6 | W | 44.6 | Very low | 34.3 | Very low | 60 Ų | 60 | 111.1 Ų | 111.1 | 23% | 0.227 | 55% | 0.554 | C | S | . | * | trans | -118.6 | 3.9 | -138 | -53.4 | 113.2 | 0 | 0 | 0 | 113.6 | T4 V8 I64 E66 G67 V72 | T4-W6 VanDerWaalsContact O-CZ2 3.23Å; T4-W6 WeakPolarHBondContact O-CZ2 3.36Å; T4-W6 PolarHBondContact O-NE1 3.43Å; T4-W6 WeakPolarHBondContact OG1-CH2 3.43Å; T4-W6 WeakPolarHBondContact OG1-CZ2 3.47Å; T4-W6 WeakPolarHBondContact OG1-CZ3 3.41Å; W6-V8 PolarHBondContact O-N 2.88Å; W6-I64 CarbonylContact O-C 3.43Å; W6-E66 HydrophobicContact CE3-CB 4.17Å; W6-E66 VanDerWaalsContact CE3-O 3.22Å; W6-E66 HydrophobicContact CH2-CB 3.51Å; W6-E66 HydrophobicContact CH2-CG 4.24Å; W6-E66 HydrophobicContact CZ2-CB 4.42Å; W6-E66 HydrophobicContact CZ3-CB 3.39Å; W6-E66 PolarHBondContact NE1-O 2.83Å; W6-G67 VanDerWaalsContact CE2-N 3.27Å; W6-V72 HydrophobicContact CB-CB 4.27Å; W6-V72 HydrophobicContact CB-CG2 3.58Å; W6-V72 WeakPolarHBondContact O-CB 3.48Å; W6-V72 VanDerWaalsContact O-CG1 3.28Å; W6-V72 WeakPolarHBondContact O-CG1 3.5Å; W6-V72 WeakPolarHBondContact O-CG2 3.5Å | ||
| 7 | L | 40.9 | Very low | 33.8 | Very low | 23 Ų | 23 | 118.2 Ų | 118.2 | 12% | 0.12 | 57% | 0.573 | C | S | . | * | trans | -95.4 | 22.4 | -172.6 | -78.3 | 161.9 | 0 | 0 | 0 | 114.1 | V72 A85 L189 | L7-V72 HydrophobicContact CD2-CG1 4.21Å; L7-A85 HydrophobicContact CD2-CB 3.83Å; L7-L189 HydrophobicContact CB-CD1 3.98Å; L7-L189 HydrophobicContact CB-CD2 3.65Å; L7-L189 HydrophobicContact CB-CG 4.46Å; L7-L189 HydrophobicContact CD1-CD1 3.45Å; L7-L189 VanDerWaalsContact CD1-CD1 3.45Å; L7-L189 HydrophobicContact CD1-CD2 4.14Å; L7-L189 HydrophobicContact CD1-CG 4.36Å; L7-L189 HydrophobicContact CG-CD1 4.26Å | ||
| 8 | V | 41 | Very low | 33.4 | Very low | 4 Ų | 4 | 122.9 Ų | 122.9 | 2% | 0.024 | 59% | 0.59 | C | S | . | * | B | Isolated β-bridge | trans | -124.1 | 114.8 | -159.5 | 173.3 | 0 | 0 | 0 | 0 | 114.2 | W6 V10 I64 E140 M141 N142 E145 | W6-V8 PolarHBondContact O-N 2.88Å; V8-V10 PolarHBondContact O-N 3.31Å; V8-I64 VanDerWaalsContact O-CB 3.27Å; V8-I64 WeakPolarHBondContact O-CB 3.35Å; V8-E140 VanDerWaalsContact CG1-O 3.31Å; V8-E140 WeakPolarHBondContact CG1-O 3.15Å; V8-M141 VanDerWaalsContact CG1-CA 3.44Å; V8-M141 HydrophobicContact CG1-CB 3.79Å; V8-M141 VanDerWaalsContact CG2-C 3.48Å; V8-M141 VanDerWaalsContact CG2-CA 3.42Å; V8-M141 HydrophobicContact CG2-CB 4.46Å; V8-N142 HydrophobicContact CG2-CB 4.22Å; V8-E145 WeakPolarHBondContact CB-OE2 3.07Å; V8-E145 WeakPolarHBondContact CG1-OE1 3.31Å; V8-E145 WeakPolarHBondContact CG1-OE2 3.49Å; V8-E145 WeakPolarHBondContact CG2-OE2 3.43Å |
| 9 | G | 38.8 | Very low | 33.2 | Very low | 15 Ų | 15 | 121.7 Ų | 121.7 | 16% | 0.155 | 60% | 0.602 | C | S | . | * | trans | -68.3 | 90.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113 | K11 | G9-K11 PolarHBondContact O-N 3.35Å; G9-K11 VanDerWaalsContact O-N 3.15Å | ||
| 10 | V | 38.3 | Very low | 33 | Very low | 86 Ų | 86 | 124.1 Ų | 124.1 | 52% | 0.521 | 62% | 0.617 | S | S | . | * | trans | -52 | 117.9 | 173 | -178.4 | 0 | 0 | 0 | 0 | 110.9 | V8 N12 K62 | V8-V10 PolarHBondContact O-N 3.31Å; V10-N12 PolarHBondContact O-N 3.49Å; V10-K62 PolarHBondContact O-NZ 2.73Å | ||
| 11 | K | 37.3 | Very low | 32.7 | Very low | 147 Ų | 147 | 126.9 Ų | 126.9 | 64% | 0.639 | 63% | 0.626 | S | S | * | * | trans | -85.2 | 98.5 | 174.4 | -74.6 | 177.5 | -176.6 | 165.5 | 0 | 109.3 | G9 R13 E140 | G9-K11 PolarHBondContact O-N 3.35Å; G9-K11 VanDerWaalsContact O-N 3.15Å; K11-R13 PolarHBondContact O-N 2.99Å; K11-E140 IonicContact NZ-OE1 2.82Å; K11-E140 PolarHBondContact NZ-OE1 2.9Å | ||
| 12 | N | 31.2 | Very low | 33 | Very low | 155 Ų | 155 | 124.4 Ų | 124.4 | 83% | 0.829 | 62% | 0.622 | S | S | * | * | trans | -79.2 | 112 | 155.6 | -101 | -8.8 | 0 | 0 | 0 | 107.8 | V10 A14 | V10-N12 PolarHBondContact O-N 3.49Å; N12-A14 PolarHBondContact O-N 3.27Å | ||
| 13 | R | 30.9 | Very low | 33.4 | Very low | 244 Ų | 244 | 121 Ų | 121 | 92% | 0.921 | 61% | 0.614 | S | S | * | * | trans | -83.7 | 97.7 | 168 | -86.4 | -175.5 | 172.9 | -177.7 | -1.3 | 108.4 | K11 | K11-R13 PolarHBondContact O-N 2.99Š| ||
| 14 | A | 26.5 | Very low | 33.6 | Very low | 87 Ų | 87 | 120 Ų | 120 | 72% | 0.719 | 63% | 0.628 | S | S | * | * | trans | -169.9 | 138 | 148.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | N12 | N12-A14 PolarHBondContact O-N 3.27Š| ||
| 15 | C | 26.3 | Very low | 34.3 | Very low | 134 Ų | 134 | 120.5 Ų | 120.5 | 91% | 0.905 | 63% | 0.628 | S | S | * | * | trans | 76.3 | 83.9 | 169.7 | -57.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 16 | I | 27.8 | Very low | 35 | Very low | 164 Ų | 164 | 124 Ų | 124 | 84% | 0.841 | 65% | 0.647 | S | S | * | * | trans | -88.9 | 125.1 | 148.9 | -68.6 | 169.9 | 0 | 0 | 0 | 107.2 | ||||
| 17 | R | 26.7 | Very low | 35.2 | Very low | 232 Ų | 232 | 125.2 Ų | 125.2 | 88% | 0.875 | 65% | 0.651 | S | S | * | * | -174.7 | 130.6 | 129.7 | -100.4 | 163.6 | -170 | 172.8 | 3.9 | 112.7 | |||||
| 18 | K | 26.8 | Very low | 35.7 | Very low | 203 Ų | 203 | 131.3 Ų | 131.3 | 88% | 0.883 | 68% | 0.677 | S | S | * | * | trans | 64.6 | 111.9 | 157.1 | -66.8 | -175.4 | 176.2 | -178.6 | 0 | 119.2 | ||||
| 19 | A | 28.1 | Very low | 36.6 | Very low | 99 Ų | 99 | 134 Ų | 134 | 82% | 0.818 | 70% | 0.695 | S | S | * | * | -168.9 | 104.3 | 113.5 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 20 | N | 29.1 | Very low | 37.4 | Very low | 169 Ų | 169 | 135.4 Ų | 135.4 | 90% | 0.904 | 70% | 0.698 | S | S | * | * | trans | -87.7 | 116.3 | 153.8 | -91.9 | -13.7 | 0 | 0 | 0 | 106.5 | ||||
| 21 | K | 27.8 | Very low | 38 | Very low | 184 Ų | 184 | 133.8 Ų | 133.8 | 80% | 0.8 | 69% | 0.685 | S | S | * | * | trans | -167.1 | 112.9 | 147.9 | -104.8 | 174.9 | -174.1 | -172.5 | 0 | 107.6 | H23 | K21-H23 PolarHBondContact O-N 3.12Š| ||
| 22 | T | 35.3 | Very low | 38.7 | Very low | 147 Ų | 147 | 130.7 Ų | 130.7 | 90% | 0.902 | 68% | 0.675 | S | S | * | * | trans | -68.1 | 109.4 | 170.7 | 37.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 23 | H | 33.2 | Very low | 39.6 | Very low | 152 Ų | 152 | 128.5 Ų | 128.5 | 70% | 0.704 | 66% | 0.663 | S | S | * | * | trans | -116.9 | 127.6 | 155.9 | -80.4 | -80.3 | 0 | 0 | 0 | 107.4 | K21 I25 | K21-H23 PolarHBondContact O-N 3.12Å; H23-I25 PolarHBondContact O-N 3.05Å | ||
| 24 | S | 36.8 | Very low | 40.3 | Very low | 127 Ų | 127 | 117.9 Ų | 117.9 | 89% | 0.888 | 63% | 0.626 | S | S | * | * | trans | -59.3 | 100 | 165.3 | 174.1 | 0 | 0 | 0 | 0 | 107.5 | D26 | S24-D26 PolarHBondContact O-N 2.94Š| ||
| 25 | I | 49.3 | Very low | 41.1 | Very low | 80 Ų | 80 | 118.8 Ų | 118.8 | 41% | 0.41 | 62% | 0.619 | S | S | . | * | trans | -77.3 | 110.4 | 174.4 | -63 | 172.5 | 0 | 0 | 0 | 106.3 | H23 F30 | H23-I25 PolarHBondContact O-N 3.05Å; I25-F30 HydrophobicContact CG2-CB 4.12Å | ||
| 26 | D | 57.8 | Low | 41.8 | Very low | 93 Ų | 93 | 118.5 Ų | 118.5 | 50% | 0.497 | 61% | 0.608 | S | S | . | * | trans | -58.8 | 147.1 | 172.7 | 178 | 26.4 | 0 | 0 | 0 | 110.8 | S24 K28 S29 F30 | S24-D26 PolarHBondContact O-N 2.94Å; D26-K28 PolarHBondContact O-N 3.42Å; D26-S29 WeakPolarHBondContact O-CA 3.4Å; D26-S29 WeakPolarHBondContact O-CB 3.49Å; D26-S29 PolarHBondContact O-N 3.15Å; D26-F30 PolarHBondContact O-N 2.91Å | ||
| 27 | W | 49.9 | Very low | 42.3 | Very low | 85 Ų | 85 | 115 Ų | 115 | 32% | 0.322 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -53.4 | -37.4 | 179.4 | 174 | -112.3 | 0 | 0 | 0 | 112.2 | F30 M31 K51 W54 | W27-F30 HydrophobicContact CE3-CD1 4.08Å; W27-F30 AromaticContact CZ3-CD1 3.79Å; W27-F30 HydrophobicContact CZ3-CD1 3.79Å; W27-F30 HydrophobicContact CZ3-CE1 4.14Å; W27-F30 PolarHBondContact O-N 3.41Å; W27-M31 HydrophobicContact CD2-CG 4.04Å; W27-M31 HydrophobicContact CE3-CG 4.42Å; W27-M31 HydrophobicContact CH2-CG 4.19Å; W27-M31 HydrophobicContact CH2-SD 3.69Å; W27-M31 HydrophobicContact CZ2-CE 4.08Å; W27-M31 HydrophobicContact CZ2-CG 3.78Å; W27-M31 HydrophobicContact CZ2-SD 3.56Å; W27-M31 VanDerWaalsContact CZ2-SD 3.56Å; W27-M31 HydrophobicContact CZ3-SD 4.36Å; W27-M31 WeakPolarHBondContact O-CG 3.42Å; W27-M31 PolarHBondContact O-N 3.06Å; W27-K51 HydrophobicContact CH2-CB 4.13Å; W27-K51 HydrophobicContact CH2-CG 3.73Å; W27-K51 HydrophobicContact CZ2-CD 4.41Å; W27-K51 HydrophobicContact CZ2-CG 4.04Å; W27-W54 AromaticContact CE3-CD1 3.13Å; W27-W54 AromaticContact CE3-CG 3.96Å; W27-W54 HydrophobicContact CE3-CG 3.96Å; W27-W54 AromaticContact CE3-NE1 3.42Å; W27-W54 HydrophobicContact CZ3-CB 3.94Å; W27-W54 AromaticContact CZ3-CD1 3.22Å; W27-W54 AromaticContact CZ3-CG 3.66Å; W27-W54 HydrophobicContact CZ3-CG 3.66Å; W27-W54 AromaticContact CZ3-NE1 3.95Å |
| 28 | K | 51.4 | Low | 42.9 | Very low | 151 Ų | 151 | 110.6 Ų | 110.6 | 66% | 0.657 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62 | -49.7 | 173.6 | -80 | -178.6 | 174.3 | 177.2 | 0 | 111.6 | D26 F30 M31 D32 | D26-K28 PolarHBondContact O-N 3.42Å; K28-F30 VanDerWaalsContact C-N 3.29Å; K28-F30 PolarHBondContact O-N 2.9Å; K28-M31 PolarHBondContact O-N 3Å; K28-D32 WeakPolarHBondContact O-CB 3.39Å; K28-D32 PolarHBondContact O-N 3.46Å |
| 29 | S | 58.7 | Low | 43.3 | Very low | 59 Ų | 59 | 105 Ų | 105 | 41% | 0.413 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.3 | -32.9 | 175.8 | -79.7 | 0 | 0 | 0 | 0 | 113.5 | D26 L33 | D26-S29 WeakPolarHBondContact O-CA 3.4Å; D26-S29 WeakPolarHBondContact O-CB 3.49Å; D26-S29 PolarHBondContact O-N 3.15Å; S29-L33 WeakPolarHBondContact O-CB 3.33Å; S29-L33 VanDerWaalsContact O-CD1 3.3Å; S29-L33 WeakPolarHBondContact O-CD1 3.19Å; S29-L33 PolarHBondContact O-N 3.35Å |
| 30 | F | 56.6 | Low | 43.8 | Very low | 46 Ų | 46 | 111.1 Ų | 111.1 | 20% | 0.202 | 58% | 0.583 | C | S | . | * | H | α-helix | trans | -70.6 | -43.1 | 174.6 | 177 | -98.6 | 0 | 0 | 0 | 112.6 | I25 D26 W27 K28 D32 L33 C34 W54 | I25-F30 HydrophobicContact CG2-CB 4.12Å; D26-F30 PolarHBondContact O-N 2.91Å; W27-F30 HydrophobicContact CE3-CD1 4.08Å; W27-F30 AromaticContact CZ3-CD1 3.79Å; W27-F30 HydrophobicContact CZ3-CD1 3.79Å; W27-F30 HydrophobicContact CZ3-CE1 4.14Å; W27-F30 PolarHBondContact O-N 3.41Å; K28-F30 VanDerWaalsContact C-N 3.29Å; K28-F30 PolarHBondContact O-N 2.9Å; F30-D32 VanDerWaalsContact C-N 3.34Å; F30-L33 PolarHBondContact O-N 3.49Å; F30-C34 VanDerWaalsContact CZ-SG 3.53Å; F30-C34 WeakPolarHBondContact O-CB 3.42Å; F30-C34 PolarHBondContact O-N 3.47Å; F30-C34 PolarHBondContact O-SG 3.21Å; F30-W54 HydrophobicContact CD2-CE3 4.46Å; F30-W54 HydrophobicContact CD2-CZ3 4.36Å; F30-W54 HydrophobicContact CE2-CE3 4.34Å; F30-W54 HydrophobicContact CE2-CZ3 4.46Å |
| 31 | M | 51.6 | Low | 44.3 | Very low | 52 Ų | 52 | 110.6 Ų | 110.6 | 26% | 0.256 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.6 | -40.2 | 175.1 | -70.8 | -67.6 | -85.6 | 0 | 0 | 110.7 | W27 K28 C34 N35 | W27-M31 HydrophobicContact CD2-CG 4.04Å; W27-M31 HydrophobicContact CE3-CG 4.42Å; W27-M31 HydrophobicContact CH2-CG 4.19Å; W27-M31 HydrophobicContact CH2-SD 3.69Å; W27-M31 HydrophobicContact CZ2-CE 4.08Å; W27-M31 HydrophobicContact CZ2-CG 3.78Å; W27-M31 HydrophobicContact CZ2-SD 3.56Å; W27-M31 VanDerWaalsContact CZ2-SD 3.56Å; W27-M31 HydrophobicContact CZ3-SD 4.36Å; W27-M31 WeakPolarHBondContact O-CG 3.42Å; W27-M31 PolarHBondContact O-N 3.06Å; K28-M31 PolarHBondContact O-N 3Å; M31-C34 CarbonylContact O-C 3.27Å; M31-C34 PolarHBondContact O-N 3.14Å; M31-N35 VanDerWaalsContact O-CB 3.27Å; M31-N35 WeakPolarHBondContact O-CB 3.35Å; M31-N35 PolarHBondContact O-N 3.15Å; M31-N35 PolarHBondContact O-ND2 3.05Å |
| 32 | D | 51.3 | Low | 45.4 | Very low | 82 Ų | 82 | 107.7 Ų | 107.7 | 44% | 0.439 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.3 | -38.6 | 174.7 | -66.1 | -23 | 0 | 0 | 0 | 111.3 | K28 F30 N35 N36 | K28-D32 WeakPolarHBondContact O-CB 3.39Å; K28-D32 PolarHBondContact O-N 3.46Å; F30-D32 VanDerWaalsContact C-N 3.34Å; D32-N35 PolarHBondContact O-N 2.99Å; D32-N36 WeakPolarHBondContact O-CA 3.14Å; D32-N36 WeakPolarHBondContact O-CB 3.44Å; D32-N36 PolarHBondContact O-N 3.29Å; D32-N36 PolarHBondContact O-ND2 2.74Å |
| 33 | L | 49.2 | Very low | 47.1 | Very low | 108 Ų | 108 | 106.1 Ų | 106.1 | 57% | 0.565 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.9 | -42.2 | 170.1 | -108.7 | 99.2 | 0 | 0 | 0 | 112.1 | S29 F30 N35 N36 T37 | S29-L33 WeakPolarHBondContact O-CB 3.33Å; S29-L33 VanDerWaalsContact O-CD1 3.3Å; S29-L33 WeakPolarHBondContact O-CD1 3.19Å; S29-L33 PolarHBondContact O-N 3.35Å; F30-L33 PolarHBondContact O-N 3.49Å; L33-N35 VanDerWaalsContact C-N 3.26Å; L33-N35 PolarHBondContact O-N 3.42Å; L33-N36 PolarHBondContact O-N 3.39Å; L33-T37 PolarHBondContact O-N 3.25Å; L33-T37 VanDerWaalsContact O-N 3.11Å; L33-T37 PolarHBondContact O-OG1 3.08Å |
| 34 | C | 45.1 | Very low | 49.1 | Very low | 22 Ų | 22 | 108.6 Ų | 108.6 | 15% | 0.149 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -67.6 | -28.3 | 178.3 | -72.4 | 0 | 0 | 0 | 0 | 112.6 | F30 M31 | F30-C34 VanDerWaalsContact CZ-SG 3.53Å; F30-C34 WeakPolarHBondContact O-CB 3.42Å; F30-C34 PolarHBondContact O-N 3.47Å; F30-C34 PolarHBondContact O-SG 3.21Å; M31-C34 CarbonylContact O-C 3.27Å; M31-C34 PolarHBondContact O-N 3.14Å |
| 35 | N | 44.3 | Very low | 51 | Low | 106 Ų | 106 | 105.1 Ų | 105.1 | 57% | 0.567 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -87.5 | -31.8 | 177.2 | -67.6 | -19.7 | 0 | 0 | 0 | 112.6 | M31 D32 L33 | M31-N35 VanDerWaalsContact O-CB 3.27Å; M31-N35 WeakPolarHBondContact O-CB 3.35Å; M31-N35 PolarHBondContact O-N 3.15Å; M31-N35 PolarHBondContact O-ND2 3.05Å; D32-N35 PolarHBondContact O-N 2.99Å; L33-N35 VanDerWaalsContact C-N 3.26Å; L33-N35 PolarHBondContact O-N 3.42Å |
| 36 | N | 42 | Very low | 52.4 | Low | 127 Ų | 127 | 105.8 Ų | 105.8 | 68% | 0.679 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -90.5 | -10.2 | -176.7 | -70.7 | -22.1 | 0 | 0 | 0 | 114.3 | D32 L33 T38 | D32-N36 WeakPolarHBondContact O-CA 3.14Å; D32-N36 WeakPolarHBondContact O-CB 3.44Å; D32-N36 PolarHBondContact O-N 3.29Å; D32-N36 PolarHBondContact O-ND2 2.74Å; L33-N36 PolarHBondContact O-N 3.39Å; N36-T38 PolarHBondContact O-N 3.41Å |
| 37 | T | 37.9 | Very low | 53.6 | Low | 90 Ų | 90 | 105.1 Ų | 105.1 | 55% | 0.552 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -82.6 | 92.5 | 169.1 | -33.3 | 0 | 0 | 0 | 0 | 108.3 | L33 S39 | L33-T37 PolarHBondContact O-N 3.25Å; L33-T37 VanDerWaalsContact O-N 3.11Å; L33-T37 PolarHBondContact O-OG1 3.08Å; T37-S39 VanDerWaalsContact C-N 3.32Å; T37-S39 PolarHBondContact O-N 3.47Å |
| 38 | T | 38.7 | Very low | 55.3 | Low | 141 Ų | 141 | 103.6 Ų | 103.6 | 87% | 0.865 | 52% | 0.524 | S | S | * | . | trans | -59.9 | 89.4 | 174.9 | 22.5 | 0 | 0 | 0 | 0 | 111.3 | N36 | N36-T38 PolarHBondContact O-N 3.41Š| ||
| 39 | S | 35.3 | Very low | 57 | Low | 84 Ų | 84 | 96.7 Ų | 96.7 | 59% | 0.587 | 50% | 0.495 | S | S | * | . | trans | -129.2 | 91.4 | 152 | 172.6 | 0 | 0 | 0 | 0 | 106.4 | T37 N41 | T37-S39 VanDerWaalsContact C-N 3.32Å; T37-S39 PolarHBondContact O-N 3.47Å; S39-N41 PolarHBondContact O-N 3.3Å | ||
| 40 | Y | 37.4 | Very low | 58.4 | Low | 228 Ų | 228 | 94.9 Ų | 94.9 | 89% | 0.894 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -44.1 | 129.1 | 162.3 | -128.5 | -106.1 | 0 | 0 | 0 | 108.3 | ||
| 41 | N | 39.7 | Very low | 60 | Low | 158 Ų | 158 | 96.4 Ų | 96.4 | 85% | 0.845 | 49% | 0.489 | S | S | * | . | trans | 84.2 | 49.9 | -169.7 | -74.7 | -25.9 | 0 | 0 | 0 | 118.6 | S39 | S39-N41 PolarHBondContact O-N 3.3Š| ||
| 42 | R | 52 | Low | 61.9 | Low | 123 Ų | 123 | 94.1 Ų | 94.1 | 46% | 0.464 | 48% | 0.478 | S | S | . | . | trans | -77.7 | 121.9 | 148.1 | -92.3 | -172.9 | -178.6 | 173.1 | 3.9 | 109.8 | ||||
| 43 | N | 70.7 | Confident | 63.9 | Low | 114 Ų | 114 | 90.2 Ų | 90.2 | 61% | 0.61 | 46% | 0.457 | S | S | * | . | trans | -65.3 | 137 | -179.1 | -153.1 | -11.3 | 0 | 0 | 0 | 109.4 | S45 E46 L47 | N43-S45 PolarHBondContact O-N 3.27Å; N43-E46 WeakPolarHBondContact O-CB 3.41Å; N43-E46 PolarHBondContact O-N 2.99Å; N43-L47 PolarHBondContact O-N 2.97Å | ||
| 44 | R | 76.1 | Confident | 65.9 | Low | 205 Ų | 205 | 87.5 Ų | 87.5 | 77% | 0.774 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -52.3 | -33.6 | -176.2 | -179.2 | 179.3 | 167.9 | 97.1 | -2.3 | 112.6 | I48 | R44-I48 HydrophobicContact CG-CD1 4.16Å; R44-I48 WeakPolarHBondContact O-CG1 3.3Å; R44-I48 PolarHBondContact O-N 3Å |
| 45 | S | 75.1 | Confident | 68.2 | Low | 54 Ų | 54 | 91.1 Ų | 91.1 | 38% | 0.378 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.8 | -40.4 | 175.3 | 52.2 | 0 | 0 | 0 | 0 | 113.5 | N43 L47 I48 L49 | N43-S45 PolarHBondContact O-N 3.27Å; S45-L47 PolarHBondContact O-N 3.02Å; S45-I48 PolarHBondContact O-N 3.23Å; S45-L49 WeakPolarHBondContact O-CB 3.47Å; S45-L49 PolarHBondContact O-N 3.34Å |
| 46 | E | 79.9 | Confident | 70.5 | Confident | 93 Ų | 93 | 90.3 Ų | 90.3 | 44% | 0.435 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -69.3 | -35.4 | -177.7 | -168.4 | 175 | -167.8 | 0 | 0 | 111.6 | N43 S50 | N43-E46 WeakPolarHBondContact O-CB 3.41Å; N43-E46 PolarHBondContact O-N 2.99Å; E46-S50 WeakPolarHBondContact O-CB 3.45Å; E46-S50 PolarHBondContact O-N 3.07Å; E46-S50 PolarHBondContact O-OG 3.24Å |
| 47 | L | 83.5 | Confident | 73.1 | Confident | 79 Ų | 79 | 87.7 Ų | 87.7 | 41% | 0.414 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -68.1 | -43.2 | 174.6 | -172.9 | 67.3 | 0 | 0 | 0 | 111.8 | N43 S45 S50 K51 | N43-L47 PolarHBondContact O-N 2.97Å; S45-L47 PolarHBondContact O-N 3.02Å; L47-S50 PolarHBondContact O-N 2.88Å; L47-K51 WeakPolarHBondContact O-CB 2.98Å; L47-K51 PolarHBondContact O-N 2.86Å |
| 48 | I | 85.4 | Confident | 75.9 | Confident | 53 Ų | 53 | 83.5 Ų | 83.5 | 27% | 0.272 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.6 | -47.8 | 176.1 | -67.9 | 166.6 | 0 | 0 | 0 | 110 | R44 S45 S50 K51 L52 | R44-I48 HydrophobicContact CG-CD1 4.16Å; R44-I48 WeakPolarHBondContact O-CG1 3.3Å; R44-I48 PolarHBondContact O-N 3Å; S45-I48 PolarHBondContact O-N 3.23Å; I48-S50 PolarHBondContact O-N 2.96Å; I48-K51 PolarHBondContact O-N 3.18Å; I48-L52 WeakPolarHBondContact O-CB 3.32Å; I48-L52 PolarHBondContact O-N 2.94Å |
| 49 | L | 87 | Confident | 78.6 | Confident | 6 Ų | 6 | 81.3 Ų | 81.3 | 3% | 0.031 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.8 | -45.2 | 178.6 | 178.5 | 57.7 | 0 | 0 | 0 | 112 | S45 K51 L52 L53 I60 E71 V73 T88 | S45-L49 WeakPolarHBondContact O-CB 3.47Å; S45-L49 PolarHBondContact O-N 3.34Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 3.27Å; L49-L52 PolarHBondContact O-N 2.76Å; L49-L53 HydrophobicContact CD1-CD1 3.69Å; L49-L53 HydrophobicContact CD1-CG 3.82Å; L49-L53 HydrophobicContact CG-CD1 4.11Å; L49-L53 PolarHBondContact O-N 3.29Å; L49-I60 HydrophobicContact CD2-CD1 4.35Å; L49-I60 HydrophobicContact CG-CD1 3.99Å; L49-E71 HydrophobicContact CD2-CG 4.3Å; L49-E71 VanDerWaalsContact CD2-OE1 3.3Å; L49-E71 WeakPolarHBondContact CD2-OE1 3.43Å; L49-V73 HydrophobicContact CD2-CG1 3.86Å; L49-V73 HydrophobicContact CD2-CG2 4.28Å; L49-T88 HydrophobicContact CD1-CG2 3.87Å; L49-T88 WeakPolarHBondContact CD1-OG1 3.46Å |
| 50 | S | 88.4 | Confident | 81.5 | Confident | 21 Ų | 21 | 79.8 Ų | 79.8 | 15% | 0.147 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 178.5 | -60.9 | 0 | 0 | 0 | 0 | 111.7 | E46 L47 I48 W54 | E46-S50 WeakPolarHBondContact O-CB 3.45Å; E46-S50 PolarHBondContact O-N 3.07Å; E46-S50 PolarHBondContact O-OG 3.24Å; L47-S50 PolarHBondContact O-N 2.88Å; I48-S50 PolarHBondContact O-N 2.96Å; S50-W54 WeakPolarHBondContact O-CB 3.44Å; S50-W54 PolarHBondContact O-N 2.73Å |
| 51 | K | 89.8 | Confident | 84.3 | Confident | 79 Ų | 79 | 72.4 Ų | 72.4 | 34% | 0.343 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.5 | -44.1 | 176.6 | -177.9 | 173 | -173.5 | -168.3 | 0 | 111.9 | W27 L47 I48 L49 K55 | W27-K51 HydrophobicContact CH2-CB 4.13Å; W27-K51 HydrophobicContact CH2-CG 3.73Å; W27-K51 HydrophobicContact CZ2-CD 4.41Å; W27-K51 HydrophobicContact CZ2-CG 4.04Å; L47-K51 WeakPolarHBondContact O-CB 2.98Å; L47-K51 PolarHBondContact O-N 2.86Å; I48-K51 PolarHBondContact O-N 3.18Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 3.27Å; K51-K55 HydrophobicContact CG-CD 4.45Å; K51-K55 WeakPolarHBondContact O-CB 3.45Å; K51-K55 VanDerWaalsContact O-CG 3.3Å; K51-K55 WeakPolarHBondContact O-CG 3.48Å; K51-K55 PolarHBondContact O-N 2.92Å |
| 52 | L | 91.6 | Very high | 87 | Confident | 4 Ų | 4 | 68.6 Ų | 68.6 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62 | -52 | 179.8 | 175.7 | 55.5 | 0 | 0 | 0 | 112.1 | I48 L49 K55 K56 I124 D126 T131 | I48-L52 WeakPolarHBondContact O-CB 3.32Å; I48-L52 PolarHBondContact O-N 2.94Å; L49-L52 PolarHBondContact O-N 2.76Å; L52-K55 PolarHBondContact O-N 3.16Å; L52-K56 PolarHBondContact O-N 2.93Å; L52-I124 HydrophobicContact CD1-CG2 3.5Å; L52-I124 VanDerWaalsContact CD1-CG2 3.5Å; L52-I124 HydrophobicContact CD2-CG2 4.11Å; L52-I124 HydrophobicContact CG-CG2 3.77Å; L52-D126 HydrophobicContact CD1-CB 3.66Å; L52-D126 HydrophobicContact CD2-CB 4.18Å; L52-D126 HydrophobicContact CG-CB 4.45Å; L52-T131 HydrophobicContact CD2-CG2 3.62Å |
| 53 | L | 92.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.6 | -39.3 | -177.9 | -72 | -177.7 | 0 | 0 | 0 | 111.6 | L49 K56 D57 Y58 I60 V73 C86 I124 | L49-L53 HydrophobicContact CD1-CD1 3.69Å; L49-L53 HydrophobicContact CD1-CG 3.82Å; L49-L53 HydrophobicContact CG-CD1 4.11Å; L49-L53 PolarHBondContact O-N 3.29Å; L53-K56 CarbonylContact O-C 3.6Å; L53-K56 WeakPolarHBondContact O-CA 3.38Å; L53-K56 PolarHBondContact O-N 3.14Å; L53-D57 PolarHBondContact O-N 3.37Å; L53-Y58 CarbonylContact C-O 3.58Å; L53-Y58 VanDerWaalsContact C-O 3.27Å; L53-Y58 WeakPolarHBondContact O-CA 3.33Å; L53-Y58 WeakPolarHBondContact O-CB 3.33Å; L53-Y58 PolarHBondContact O-N 2.99Å; L53-I60 HydrophobicContact CB-CG1 4.38Å; L53-I60 HydrophobicContact CD1-CD1 3.89Å; L53-I60 HydrophobicContact CD1-CG1 3.69Å; L53-V73 HydrophobicContact CD1-CG2 3.73Å; L53-C86 HydrophobicContact CD1-CB 4.07Å; L53-C86 HydrophobicContact CD2-CB 4.31Å; L53-I124 HydrophobicContact CD2-CD1 3.89Å |
| 54 | W | 92.1 | Very high | 89.9 | Confident | 51 Ų | 51 | 62.7 Ų | 62.7 | 19% | 0.193 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 176.5 | -172.5 | -87.2 | 0 | 0 | 0 | 112.6 | W27 F30 S50 K56 D57 Y58 K59 L78 | W27-W54 AromaticContact CE3-CD1 3.13Å; W27-W54 AromaticContact CE3-CG 3.96Å; W27-W54 HydrophobicContact CE3-CG 3.96Å; W27-W54 AromaticContact CE3-NE1 3.42Å; W27-W54 HydrophobicContact CZ3-CB 3.94Å; W27-W54 AromaticContact CZ3-CD1 3.22Å; W27-W54 AromaticContact CZ3-CG 3.66Å; W27-W54 HydrophobicContact CZ3-CG 3.66Å; W27-W54 AromaticContact CZ3-NE1 3.95Å; F30-W54 HydrophobicContact CD2-CE3 4.46Å; F30-W54 HydrophobicContact CD2-CZ3 4.36Å; F30-W54 HydrophobicContact CE2-CE3 4.34Å; F30-W54 HydrophobicContact CE2-CZ3 4.46Å; S50-W54 WeakPolarHBondContact O-CB 3.44Å; S50-W54 PolarHBondContact O-N 2.73Å; W54-K56 PolarHBondContact O-N 3.29Å; W54-D57 PolarHBondContact O-N 3.38Å; W54-Y58 PolarHBondContact N-O 3.45Å; W54-K59 HydrophobicContact CZ3-CB 4.33Å; W54-K59 HydrophobicContact CZ3-CG 4.33Å; W54-L78 HydrophobicContact CH2-CD1 4.41Å; W54-L78 HydrophobicContact CZ3-CD1 4.36Å |
| 55 | K | 92.4 | Very high | 90.3 | Very high | 98 Ų | 98 | 53.2 Ų | 53.2 | 43% | 0.426 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -17.3 | 173.6 | -80 | -179.9 | 175.9 | -175.5 | 0 | 113.4 | K51 L52 E128 | K51-K55 HydrophobicContact CG-CD 4.45Å; K51-K55 WeakPolarHBondContact O-CB 3.45Å; K51-K55 VanDerWaalsContact O-CG 3.3Å; K51-K55 WeakPolarHBondContact O-CG 3.48Å; K51-K55 PolarHBondContact O-N 2.92Å; L52-K55 PolarHBondContact O-N 3.16Å; K55-E128 IonicContact NZ-OE2 3.81Å |
| 56 | K | 93.9 | Very high | 90.9 | Very high | 88 Ų | 88 | 54.6 Ų | 54.6 | 38% | 0.383 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | 19.1 | 179.4 | -65.2 | -62.7 | -173.6 | 179 | 0 | 113.1 | L52 L53 W54 Y58 I124 | L52-K56 PolarHBondContact O-N 2.93Å; L53-K56 CarbonylContact O-C 3.6Å; L53-K56 WeakPolarHBondContact O-CA 3.38Å; L53-K56 PolarHBondContact O-N 3.14Å; W54-K56 PolarHBondContact O-N 3.29Å; K56-Y58 VanDerWaalsContact C-N 3.33Å; K56-Y58 HydrophobicContact CB-CD2 4.03Å; K56-Y58 HydrophobicContact CB-CE2 4.4Å; K56-Y58 WeakPolarHBondContact O-CD2 3.48Å; K56-Y58 WeakPolarHBondContact O-CE2 3.31Å; K56-Y58 PolarHBondContact O-N 2.98Å; K56-I124 HydrophobicContact CB-CD1 3.87Å; K56-I124 HydrophobicContact CB-CG1 4.42Å; K56-I124 HydrophobicContact CG-CD1 4.15Å; K56-I124 HydrophobicContact CG-CG1 4.23Å; K56-I124 HydrophobicContact CG-CG2 3.78Å |
| 57 | D | 95.5 | Very high | 90.9 | Very high | 73 Ų | 73 | 50.5 Ų | 50.5 | 39% | 0.39 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | 32.9 | 178.9 | -52.7 | -49.1 | 0 | 0 | 0 | 113.8 | L53 W54 S77 L78 K79 | L53-D57 PolarHBondContact O-N 3.37Å; W54-D57 PolarHBondContact O-N 3.38Å; D57-S77 CarbonylContact O-C 3.45Å; D57-S77 WeakPolarHBondContact O-CA 3.38Å; D57-L78 HydrophobicContact CB-CB 4.17Å; D57-L78 WeakPolarHBondContact O-CG 3.4Å; D57-L78 PolarHBondContact O-N 2.85Å; D57-K79 HydrophobicContact CB-CD 4.5Å; D57-K79 HydrophobicContact CB-CG 3.98Å; D57-K79 WeakPolarHBondContact OD2-CE 3.38Å; D57-K79 IonicContact OD2-NZ 3.89Å |
| 58 | Y | 96.9 | Very high | 90.8 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 120.1 | 172.2 | -69.6 | -87.6 | 0 | 0 | 0 | 111.3 | L53 W54 K56 A75 Q76 Y84 H121 E122 I124 V135 | L53-Y58 CarbonylContact C-O 3.58Å; L53-Y58 VanDerWaalsContact C-O 3.27Å; L53-Y58 WeakPolarHBondContact O-CA 3.33Å; L53-Y58 WeakPolarHBondContact O-CB 3.33Å; L53-Y58 PolarHBondContact O-N 2.99Å; W54-Y58 PolarHBondContact N-O 3.45Å; K56-Y58 VanDerWaalsContact C-N 3.33Å; K56-Y58 HydrophobicContact CB-CD2 4.03Å; K56-Y58 HydrophobicContact CB-CE2 4.4Å; K56-Y58 WeakPolarHBondContact O-CD2 3.48Å; K56-Y58 WeakPolarHBondContact O-CE2 3.31Å; K56-Y58 PolarHBondContact O-N 2.98Å; Y58-A75 HydrophobicContact CD1-CB 4.27Å; Y58-Q76 WeakPolarHBondContact CA-O 3.47Å; Y58-Y84 AromaticContact CE1-CD2 3.88Å; Y58-Y84 HydrophobicContact CE1-CD2 3.88Å; Y58-Y84 HydrophobicContact CE1-CE2 4.46Å; Y58-Y84 HydrophobicContact CE1-CG 4.33Å; Y58-H121 PolarHBondContact OH-CD2 3.03Å; Y58-E122 WeakPolarHBondContact CE2-OE2 3.44Å; Y58-E122 PolarHBondContact OH-OE2 3.31Å; Y58-I124 HydrophobicContact CD2-CD1 3.82Å; Y58-I124 HydrophobicContact CE2-CD1 3.72Å; Y58-V135 HydrophobicContact CE1-CG1 3.76Å; Y58-V135 HydrophobicContact CE1-CG2 4.48Å; Y58-V135 HydrophobicContact CE2-CG2 4.28Å |
| 59 | K | 95.9 | Very high | 90.8 | Very high | 94 Ų | 94 | 56.2 Ų | 56.2 | 41% | 0.409 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 116.7 | 172.8 | -178.6 | 177.3 | -179.3 | 176.7 | 0 | 110.4 | W54 I61 A75 Q76 L78 | W54-K59 HydrophobicContact CZ3-CB 4.33Å; W54-K59 HydrophobicContact CZ3-CG 4.33Å; K59-I61 HydrophobicContact CG-CD1 4.49Å; K59-I61 PolarHBondContact O-N 2.9Å; K59-A75 CarbonylContact O-C 3.52Å; K59-A75 VanDerWaalsContact O-CA 3.25Å; K59-A75 WeakPolarHBondContact O-CA 3.34Å; K59-Q76 PolarHBondContact N-O 2.96Å; K59-Q76 PolarHBondContact O-N 2.69Å; K59-L78 HydrophobicContact CB-CD2 4.03Å |
| 60 | I | 96.4 | Very high | 90.9 | Very high | 53 Ų | 53 | 56.3 Ų | 56.3 | 27% | 0.272 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 131 | 173.8 | -60 | 178.3 | 0 | 0 | 0 | 109.5 | L49 L53 V73 | L49-I60 HydrophobicContact CD2-CD1 4.35Å; L49-I60 HydrophobicContact CG-CD1 3.99Å; L53-I60 HydrophobicContact CB-CG1 4.38Å; L53-I60 HydrophobicContact CD1-CD1 3.89Å; L53-I60 HydrophobicContact CD1-CG1 3.69Å; I60-V73 HydrophobicContact CG1-CG2 4.31Å; I60-V73 HydrophobicContact CG2-CB 4.16Å; I60-V73 HydrophobicContact CG2-CG1 4.4Å; I60-V73 HydrophobicContact CG2-CG2 4.45Å |
| 61 | I | 96.6 | Very high | 91.1 | Very high | 73 Ų | 73 | 56.4 Ų | 56.4 | 37% | 0.374 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | -49.5 | 177.6 | -55.2 | -59.7 | 0 | 0 | 0 | 110.6 | K59 K74 Q76 Y83 | K59-I61 HydrophobicContact CG-CD1 4.49Å; K59-I61 PolarHBondContact O-N 2.9Å; I61-K74 HydrophobicContact CB-CB 4.49Å; I61-K74 HydrophobicContact CB-CD 4.47Å; I61-K74 HydrophobicContact CB-CG 4.21Å; I61-K74 WeakPolarHBondContact CB-O 3.15Å; I61-K74 HydrophobicContact CG1-CG 4.46Å; I61-K74 HydrophobicContact CG2-CD 4.43Å; I61-K74 PolarHBondContact N-O 2.72Å; I61-Q76 HydrophobicContact CD1-CB 4.09Å; I61-Q76 HydrophobicContact CG1-CB 4.28Å; I61-Y83 HydrophobicContact CD1-CE1 4.22Å; I61-Y83 HydrophobicContact CG1-CD1 4.23Å; I61-Y83 HydrophobicContact CG1-CE1 3.94Å |
| 62 | K | 94.5 | Very high | 91.3 | Very high | 78 Ų | 78 | 52.7 Ų | 52.7 | 34% | 0.339 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.2 | 157.3 | 177.4 | 63.1 | 179.7 | -175 | -178.8 | 0 | 111.7 | V10 I64 V73 K74 | V10-K62 PolarHBondContact O-NZ 2.73Å; K62-I64 HydrophobicContact CD-CG2 4.38Å; K62-I64 HydrophobicContact CG-CG2 3.93Å; K62-V73 CarbonylContact O-C 3.06Å; K62-V73 WeakPolarHBondContact O-CA 3.21Å; K62-K74 HydrophobicContact CG-CB 4.17Å; K62-K74 PolarHBondContact N-O 3.34Å; K62-K74 PolarHBondContact O-N 2.56Å |
| 63 | K | 93.4 | Very high | 91.5 | Very high | 96 Ų | 96 | 52.8 Ų | 52.8 | 42% | 0.417 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 131.6 | 164 | -162.6 | 173.1 | -165.3 | 170.7 | 0 | 110 | G65 E66 E71 | K63-G65 VanDerWaalsContact CE-O 3.23Å; K63-G65 WeakPolarHBondContact CE-O 3.13Å; K63-G65 WeakPolarHBondContact CG-O 3.18Å; K63-E66 VanDerWaalsContact NZ-CD 3.29Å; K63-E66 IonicContact NZ-OE1 3.88Å; K63-E66 IonicContact NZ-OE2 3.15Å; K63-E66 PolarHBondContact NZ-OE2 2.95Å; K63-E71 IonicContact NZ-OE2 2.69Å |
| 64 | I | 90.1 | Very high | 91.7 | Very high | 17 Ų | 17 | 55 Ų | 55 | 9% | 0.087 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | -13.5 | 177.6 | 60.5 | 171.3 | 0 | 0 | 0 | 112.2 | W6 V8 K62 V72 K74 A85 L138 | W6-I64 CarbonylContact O-C 3.43Å; V8-I64 VanDerWaalsContact O-CB 3.27Å; V8-I64 WeakPolarHBondContact O-CB 3.35Å; K62-I64 HydrophobicContact CD-CG2 4.38Å; K62-I64 HydrophobicContact CG-CG2 3.93Å; I64-V72 HydrophobicContact CD1-CG1 3.81Å; I64-V72 HydrophobicContact CG1-CB 4.08Å; I64-V72 HydrophobicContact CG1-CG1 3.67Å; I64-V72 WeakPolarHBondContact CG1-O 3.46Å; I64-V72 PolarHBondContact N-O 2.85Å; I64-K74 HydrophobicContact CD1-CB 4.32Å; I64-K74 HydrophobicContact CG2-CB 3.71Å; I64-A85 HydrophobicContact CD1-CB 4.07Å; I64-L138 HydrophobicContact CD1-CD1 3.91Å |
| 65 | G | 85.6 | Confident | 92 | Very high | 6 Ų | 6 | 52.5 Ų | 52.5 | 6% | 0.062 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 160.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | K63 V72 | K63-G65 VanDerWaalsContact CE-O 3.23Å; K63-G65 WeakPolarHBondContact CE-O 3.13Å; K63-G65 WeakPolarHBondContact CG-O 3.18Å; G65-V72 PolarHBondContact N-O 2.89Å; G65-V72 PolarHBondContact O-N 3.21Å; G65-V72 VanDerWaalsContact O-O 3.05Å |
| 66 | E | 86.9 | Confident | 92.2 | Very high | 83 Ų | 83 | 50.2 Ų | 50.2 | 39% | 0.388 | 24% | 0.243 | S | C | . | . | trans | -109.7 | -144.5 | 165.7 | -177.3 | 136.1 | -165.6 | 0 | 0 | 109.2 | W6 K63 S70 K90 | W6-E66 HydrophobicContact CE3-CB 4.17Å; W6-E66 VanDerWaalsContact CE3-O 3.22Å; W6-E66 HydrophobicContact CH2-CB 3.51Å; W6-E66 HydrophobicContact CH2-CG 4.24Å; W6-E66 HydrophobicContact CZ2-CB 4.42Å; W6-E66 HydrophobicContact CZ3-CB 3.39Å; W6-E66 PolarHBondContact NE1-O 2.83Å; K63-E66 VanDerWaalsContact NZ-CD 3.29Å; K63-E66 IonicContact NZ-OE1 3.88Å; K63-E66 IonicContact NZ-OE2 3.15Å; K63-E66 PolarHBondContact NZ-OE2 2.95Å; E66-S70 CarbonylContact C-O 3.58Å; E66-S70 VanDerWaalsContact O-O 3.13Å; E66-K90 IonicContact OE1-NZ 2.76Å; E66-K90 PolarHBondContact OE1-NZ 2.82Å | ||
| 67 | G | 80.2 | Confident | 92.4 | Very high | 7 Ų | 7 | 46.1 Ų | 46.1 | 7% | 0.072 | 23% | 0.226 | C | C | . | . | trans | 152.2 | 153.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | W6 F69 S70 K90 | W6-G67 VanDerWaalsContact CE2-N 3.27Å; G67-F69 PolarHBondContact O-N 3.19Å; G67-S70 CarbonylContact C-O 3.53Å; G67-S70 WeakPolarHBondContact CA-O 3.18Å; G67-S70 PolarHBondContact N-O 3.35Å; G67-K90 VanDerWaalsContact O-CE 3.32Å; G67-K90 WeakPolarHBondContact O-CE 3.18Å; G67-K90 PolarHBondContact O-NZ 3.3Å | ||
| 68 | T | 81.2 | Confident | 92.4 | Very high | 96 Ų | 96 | 46.7 Ų | 46.7 | 59% | 0.589 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -62.7 | -38.9 | 169.7 | -53.1 | 0 | 0 | 0 | 0 | 110.1 | ||
| 69 | F | 85.5 | Confident | 92.3 | Very high | 155 Ų | 155 | 53 Ų | 53 | 68% | 0.68 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -111.6 | -9.7 | -171.8 | -52 | -67.4 | 0 | 0 | 0 | 114.4 | G67 K90 | G67-F69 PolarHBondContact O-N 3.19Å; F69-K90 PolarHBondContact O-N 2.98Å |
| 70 | S | 90.1 | Very high | 92.3 | Very high | 8 Ų | 8 | 51.6 Ų | 51.6 | 6% | 0.056 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 167.2 | -175 | 59.4 | 0 | 0 | 0 | 0 | 112 | E66 G67 K87 T88 K90 | E66-S70 CarbonylContact C-O 3.58Å; E66-S70 VanDerWaalsContact O-O 3.13Å; G67-S70 CarbonylContact C-O 3.53Å; G67-S70 WeakPolarHBondContact CA-O 3.18Å; G67-S70 PolarHBondContact N-O 3.35Å; S70-K87 WeakPolarHBondContact OG-CE 3.32Å; S70-T88 CarbonylContact C-O 3.54Å; S70-T88 WeakPolarHBondContact CA-O 3.49Å; S70-T88 WeakPolarHBondContact CB-O 3.47Å; S70-K90 WeakPolarHBondContact O-CE 3.45Å |
| 71 | E | 92.6 | Very high | 92.2 | Very high | 23 Ų | 23 | 50.8 Ų | 50.8 | 11% | 0.107 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 153.7 | 160.1 | 63.6 | -176.4 | 174.4 | 0 | 0 | 109.6 | L49 K63 K87 T88 | L49-E71 HydrophobicContact CD2-CG 4.3Å; L49-E71 VanDerWaalsContact CD2-OE1 3.3Å; L49-E71 WeakPolarHBondContact CD2-OE1 3.43Å; K63-E71 IonicContact NZ-OE2 2.69Å; E71-K87 CarbonylContact O-C 3.56Å; E71-K87 WeakPolarHBondContact O-CA 3.48Å; E71-T88 PolarHBondContact N-O 3.45Å; E71-T88 PolarHBondContact O-N 2.8Å |
| 72 | V | 93.2 | Very high | 92.2 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 126.8 | -176.9 | -169.3 | 0 | 0 | 0 | 0 | 109.8 | W6 L7 I64 G65 A85 C86 K87 | W6-V72 HydrophobicContact CB-CB 4.27Å; W6-V72 HydrophobicContact CB-CG2 3.58Å; W6-V72 WeakPolarHBondContact O-CB 3.48Å; W6-V72 VanDerWaalsContact O-CG1 3.28Å; W6-V72 WeakPolarHBondContact O-CG1 3.5Å; W6-V72 WeakPolarHBondContact O-CG2 3.5Å; L7-V72 HydrophobicContact CD2-CG1 4.21Å; I64-V72 HydrophobicContact CD1-CG1 3.81Å; I64-V72 HydrophobicContact CG1-CB 4.08Å; I64-V72 HydrophobicContact CG1-CG1 3.67Å; I64-V72 WeakPolarHBondContact CG1-O 3.46Å; I64-V72 PolarHBondContact N-O 2.85Å; G65-V72 PolarHBondContact N-O 2.89Å; G65-V72 PolarHBondContact O-N 3.21Å; G65-V72 VanDerWaalsContact O-O 3.05Å; V72-A85 HydrophobicContact CG1-CB 4.22Å; V72-C86 VanDerWaalsContact CA-O 3.28Å; V72-C86 WeakPolarHBondContact CA-O 3.13Å; V72-K87 HydrophobicContact CG2-CB 4.08Å; V72-K87 HydrophobicContact CG2-CG 4.07Å |
| 73 | V | 95.8 | Very high | 92.4 | Very high | 7 Ų | 7 | 54.5 Ų | 54.5 | 4% | 0.042 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 143 | 176.8 | -59.3 | 0 | 0 | 0 | 0 | 110.6 | L49 L53 I60 K62 C86 | L49-V73 HydrophobicContact CD2-CG1 3.86Å; L49-V73 HydrophobicContact CD2-CG2 4.28Å; L53-V73 HydrophobicContact CD1-CG2 3.73Å; I60-V73 HydrophobicContact CG1-CG2 4.31Å; I60-V73 HydrophobicContact CG2-CB 4.16Å; I60-V73 HydrophobicContact CG2-CG1 4.4Å; I60-V73 HydrophobicContact CG2-CG2 4.45Å; K62-V73 CarbonylContact O-C 3.06Å; K62-V73 WeakPolarHBondContact O-CA 3.21Å; V73-C86 HydrophobicContact CG2-CB 3.82Å; V73-C86 PolarHBondContact N-O 3.46Å; V73-C86 PolarHBondContact O-N 2.8Å |
| 74 | K | 96.8 | Very high | 92.6 | Very high | 45 Ų | 45 | 50.9 Ų | 50.9 | 20% | 0.196 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 123.2 | 162.6 | 176.9 | 177.6 | 177.6 | -179.3 | 0 | 107.2 | I61 K62 I64 Y83 Y84 L138 | I61-K74 HydrophobicContact CB-CB 4.49Å; I61-K74 HydrophobicContact CB-CD 4.47Å; I61-K74 HydrophobicContact CB-CG 4.21Å; I61-K74 WeakPolarHBondContact CB-O 3.15Å; I61-K74 HydrophobicContact CG1-CG 4.46Å; I61-K74 HydrophobicContact CG2-CD 4.43Å; I61-K74 PolarHBondContact N-O 2.72Å; K62-K74 HydrophobicContact CG-CB 4.17Å; K62-K74 PolarHBondContact N-O 3.34Å; K62-K74 PolarHBondContact O-N 2.56Å; I64-K74 HydrophobicContact CD1-CB 4.32Å; I64-K74 HydrophobicContact CG2-CB 3.71Å; K74-Y83 HydrophobicContact CD-CD1 4.46Å; K74-Y83 VanDerWaalsContact CE-CG 3.5Å; K74-Y83 HydrophobicContact CG-CD1 4.4Å; K74-Y84 WeakPolarHBondContact CA-O 3.24Å; K74-L138 HydrophobicContact CD-CD2 3.87Å; K74-L138 HydrophobicContact CG-CD2 4Å |
| 75 | A | 97.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 154.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y58 K59 Y83 Y84 | Y58-A75 HydrophobicContact CD1-CB 4.27Å; K59-A75 CarbonylContact O-C 3.52Å; K59-A75 VanDerWaalsContact O-CA 3.25Å; K59-A75 WeakPolarHBondContact O-CA 3.34Å; A75-Y83 CarbonylContact O-C 3.6Å; A75-Y83 WeakPolarHBondContact O-CA 3.37Å; A75-Y84 PolarHBondContact N-O 2.76Å; A75-Y84 PolarHBondContact O-N 3.13Å |
| 76 | Q | 97.8 | Very high | 93.5 | Very high | 49 Ų | 49 | 49.8 Ų | 49.8 | 23% | 0.229 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 125.8 | 169.3 | -172.6 | 175 | 23.3 | 0 | 0 | 108.5 | Y58 K59 I61 G81 K82 Y83 | Y58-Q76 WeakPolarHBondContact CA-O 3.47Å; K59-Q76 PolarHBondContact N-O 2.96Å; K59-Q76 PolarHBondContact O-N 2.69Å; I61-Q76 HydrophobicContact CD1-CB 4.09Å; I61-Q76 HydrophobicContact CG1-CB 4.28Å; Q76-G81 PolarHBondContact NE2-O 3.34Å; Q76-K82 CarbonylContact C-O 3.58Å; Q76-K82 WeakPolarHBondContact CA-O 3.37Å; Q76-Y83 HydrophobicContact CB-CD1 3.83Å; Q76-Y83 HydrophobicContact CB-CE1 3.72Å; Q76-Y83 HydrophobicContact CG-CD1 4.18Å; Q76-Y83 HydrophobicContact CG-CE1 3.94Å |
| 77 | S | 97.4 | Very high | 93.8 | Very high | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 129.5 | 169 | 170.2 | 0 | 0 | 0 | 0 | 108.9 | D57 K79 D80 G81 K82 | D57-S77 CarbonylContact O-C 3.45Å; D57-S77 WeakPolarHBondContact O-CA 3.38Å; S77-K79 PolarHBondContact OG-N 3.43Å; S77-D80 WeakPolarHBondContact CB-OD1 3.3Å; S77-D80 PolarHBondContact OG-OD1 2.87Å; S77-G81 WeakPolarHBondContact O-CA 3.41Å; S77-G81 PolarHBondContact O-N 3.47Å; S77-K82 PolarHBondContact N-O 3Å |
| 78 | L | 96.5 | Very high | 94.5 | Very high | 85 Ų | 85 | 46.6 Ų | 46.6 | 45% | 0.445 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -14.1 | 175.8 | -55.1 | 178 | 0 | 0 | 0 | 111.6 | W54 D57 K59 | W54-L78 HydrophobicContact CH2-CD1 4.41Å; W54-L78 HydrophobicContact CZ3-CD1 4.36Å; D57-L78 HydrophobicContact CB-CB 4.17Å; D57-L78 WeakPolarHBondContact O-CG 3.4Å; D57-L78 PolarHBondContact O-N 2.85Å; K59-L78 HydrophobicContact CB-CD2 4.03Å |
| 79 | K | 94.6 | Very high | 95 | Very high | 134 Ų | 134 | 43.7 Ų | 43.7 | 58% | 0.583 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -45.4 | 178.3 | -59.6 | 178.5 | -177.6 | 171.3 | 0 | 112.3 | D57 S77 | D57-K79 HydrophobicContact CB-CD 4.5Å; D57-K79 HydrophobicContact CB-CG 3.98Å; D57-K79 WeakPolarHBondContact OD2-CE 3.38Å; D57-K79 IonicContact OD2-NZ 3.89Å; S77-K79 PolarHBondContact OG-N 3.43Å |
| 80 | D | 95.3 | Very high | 95.3 | Very high | 64 Ų | 64 | 41.1 Ų | 41.1 | 34% | 0.342 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.5 | -2.6 | -174.7 | 71 | 0.6 | 0 | 0 | 0 | 113.9 | S77 K82 Y84 | S77-D80 WeakPolarHBondContact CB-OD1 3.3Å; S77-D80 PolarHBondContact OG-OD1 2.87Å; D80-K82 HydrophobicContact CB-CG 4.41Å; D80-K82 PolarHBondContact O-N 2.99Å; D80-K82 WeakPolarHBondContact OD1-CB 3.29Å; D80-K82 PolarHBondContact OD1-N 3.06Å; D80-K82 WeakPolarHBondContact OD2-CD 3.4Å; D80-K82 IonicContact OD2-NZ 3.98Å; D80-Y84 PolarHBondContact OD2-OH 3.26Å |
| 81 | G | 95.3 | Very high | 95.2 | Very high | 36 Ų | 36 | 47.5 Ų | 47.5 | 37% | 0.371 | 23% | 0.226 | S | C | . | . | trans | 70.9 | -0.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115 | Q76 S77 | Q76-G81 PolarHBondContact NE2-O 3.34Å; S77-G81 WeakPolarHBondContact O-CA 3.41Å; S77-G81 PolarHBondContact O-N 3.47Å | ||
| 82 | K | 96.9 | Very high | 95.1 | Very high | 124 Ų | 124 | 50.2 Ų | 50.2 | 54% | 0.539 | 25% | 0.248 | S | C | . | . | trans | -80.8 | 158.4 | -176.2 | -62.6 | -177.9 | -168.5 | 157.7 | 0 | 111.8 | Q76 S77 D80 Y84 | Q76-K82 CarbonylContact C-O 3.58Å; Q76-K82 WeakPolarHBondContact CA-O 3.37Å; S77-K82 PolarHBondContact N-O 3Å; D80-K82 HydrophobicContact CB-CG 4.41Å; D80-K82 PolarHBondContact O-N 2.99Å; D80-K82 WeakPolarHBondContact OD1-CB 3.29Å; D80-K82 PolarHBondContact OD1-N 3.06Å; D80-K82 WeakPolarHBondContact OD2-CD 3.4Å; D80-K82 IonicContact OD2-NZ 3.98Å; K82-Y84 HydrophobicContact CB-CE2 3.76Å | ||
| 83 | Y | 97.3 | Very high | 95.1 | Very high | 106 Ų | 106 | 50.8 Ų | 50.8 | 42% | 0.416 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 136.6 | 177.1 | -64.2 | -74.3 | 0 | 0 | 0 | 112.1 | I61 K74 A75 Q76 L138 | I61-Y83 HydrophobicContact CD1-CE1 4.22Å; I61-Y83 HydrophobicContact CG1-CD1 4.23Å; I61-Y83 HydrophobicContact CG1-CE1 3.94Å; K74-Y83 HydrophobicContact CD-CD1 4.46Å; K74-Y83 VanDerWaalsContact CE-CG 3.5Å; K74-Y83 HydrophobicContact CG-CD1 4.4Å; A75-Y83 CarbonylContact O-C 3.6Å; A75-Y83 WeakPolarHBondContact O-CA 3.37Å; Q76-Y83 HydrophobicContact CB-CD1 3.83Å; Q76-Y83 HydrophobicContact CB-CE1 3.72Å; Q76-Y83 HydrophobicContact CG-CD1 4.18Å; Q76-Y83 HydrophobicContact CG-CE1 3.94Å; Y83-L138 WeakPolarHBondContact O-CB 3.3Å |
| 84 | Y | 97.8 | Very high | 94.9 | Very high | 19 Ų | 19 | 55.6 Ų | 55.6 | 8% | 0.075 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 160 | -179.1 | -64.4 | -84.9 | 0 | 0 | 0 | 110.9 | Y58 K74 A75 D80 K82 H121 V135 C136 | Y58-Y84 AromaticContact CE1-CD2 3.88Å; Y58-Y84 HydrophobicContact CE1-CD2 3.88Å; Y58-Y84 HydrophobicContact CE1-CE2 4.46Å; Y58-Y84 HydrophobicContact CE1-CG 4.33Å; K74-Y84 WeakPolarHBondContact CA-O 3.24Å; A75-Y84 PolarHBondContact N-O 2.76Å; A75-Y84 PolarHBondContact O-N 3.13Å; D80-Y84 PolarHBondContact OD2-OH 3.26Å; K82-Y84 HydrophobicContact CB-CE2 3.76Å; Y84-H121 HydrophobicContact CD1-CB 4.27Å; Y84-H121 HydrophobicContact CE1-CB 4.04Å; Y84-H121 AromaticContact CE1-CD2 3.83Å; Y84-H121 AromaticContact CE1-CG 3.72Å; Y84-H121 AromaticContact CZ-CD2 3.99Å; Y84-V135 HydrophobicContact CD1-CG1 3.92Å; Y84-V135 HydrophobicContact CG-CG1 3.8Å; Y84-C136 WeakPolarHBondContact CA-O 3.48Å; Y84-C136 WeakPolarHBondContact CB-O 3.37Å; Y84-C136 WeakPolarHBondContact CD1-O 3.24Å |
| 85 | A | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 117.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | L7 I64 V72 C136 L138 | L7-A85 HydrophobicContact CD2-CB 3.83Å; I64-A85 HydrophobicContact CD1-CB 4.07Å; V72-A85 HydrophobicContact CG1-CB 4.22Å; A85-C136 PolarHBondContact N-O 2.97Å; A85-C136 PolarHBondContact O-N 3.46Å; A85-L138 HydrophobicContact CB-CD1 4.01Å |
| 86 | C | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 108.1 | 177.3 | -59.9 | 0 | 0 | 0 | 0 | 108.8 | L53 V72 V73 L134 | L53-C86 HydrophobicContact CD1-CB 4.07Å; L53-C86 HydrophobicContact CD2-CB 4.31Å; V72-C86 VanDerWaalsContact CA-O 3.28Å; V72-C86 WeakPolarHBondContact CA-O 3.13Å; V73-C86 HydrophobicContact CG2-CB 3.82Å; V73-C86 PolarHBondContact N-O 3.46Å; V73-C86 PolarHBondContact O-N 2.8Å; C86-L134 WeakPolarHBondContact CA-O 3.35Å |
| 87 | K | 94.9 | Very high | 94.3 | Very high | 19 Ų | 19 | 63.4 Ų | 63.4 | 8% | 0.083 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 107.1 | 174.7 | 178.3 | 177.9 | 176.8 | -176.6 | 0 | 109 | S70 E71 V72 E104 S133 L134 D199 | S70-K87 WeakPolarHBondContact OG-CE 3.32Å; E71-K87 CarbonylContact O-C 3.56Å; E71-K87 WeakPolarHBondContact O-CA 3.48Å; V72-K87 HydrophobicContact CG2-CB 4.08Å; V72-K87 HydrophobicContact CG2-CG 4.07Å; K87-E104 VanDerWaalsContact NZ-CD 3.29Å; K87-E104 IonicContact NZ-OE1 3.96Å; K87-E104 PolarHBondContact NZ-OE1 3.04Å; K87-E104 IonicContact NZ-OE2 3.32Å; K87-E104 PolarHBondContact NZ-OE2 3.45Å; K87-E104 VanDerWaalsContact NZ-OE2 3.1Å; K87-S133 CarbonylContact O-C 3.43Å; K87-S133 WeakPolarHBondContact O-CA 3.34Å; K87-L134 HydrophobicContact CB-CB 4.43Å; K87-L134 PolarHBondContact N-O 2.89Å; K87-L134 PolarHBondContact O-N 2.83Å; K87-D199 IonicContact NZ-OD1 2.8Å; K87-D199 PolarHBondContact NZ-OD1 3.4Å |
| 88 | T | 94.2 | Very high | 94.1 | Very high | 5 Ų | 5 | 66.8 Ų | 66.8 | 3% | 0.031 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 126.6 | 179.2 | -53 | 0 | 0 | 0 | 0 | 110.1 | L49 S70 E71 T131 L132 S133 | L49-T88 HydrophobicContact CD1-CG2 3.87Å; L49-T88 WeakPolarHBondContact CD1-OG1 3.46Å; S70-T88 CarbonylContact C-O 3.54Å; S70-T88 WeakPolarHBondContact CA-O 3.49Å; S70-T88 WeakPolarHBondContact CB-O 3.47Å; E71-T88 PolarHBondContact N-O 3.45Å; E71-T88 PolarHBondContact O-N 2.8Å; T88-T131 HydrophobicContact CG2-CG2 3.5Å; T88-L132 CarbonylContact C-O 3.52Å; T88-L132 WeakPolarHBondContact CA-O 3.32Å; T88-S133 PolarHBondContact OG1-OG 3.31Å |
| 89 | M | 92.3 | Very high | 93.9 | Very high | 35 Ų | 35 | 62.8 Ų | 62.8 | 17% | 0.172 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 134 | 177.6 | -53.6 | -54.1 | -71.1 | 0 | 0 | 110.1 | Q91 L132 L134 | M89-Q91 VanDerWaalsContact C-N 3.33Å; M89-L132 HydrophobicContact CB-CB 4.37Å; M89-L132 HydrophobicContact CG-CB 4.16Å; M89-L132 HydrophobicContact CG-CD2 4.12Å; M89-L132 HydrophobicContact CG-CG 4.36Å; M89-L132 PolarHBondContact N-O 2.85Å; M89-L134 HydrophobicContact CG-CD1 4.11Å; M89-L134 HydrophobicContact SD-CD1 4.19Å |
| 90 | K | 90.3 | Very high | 93.8 | Very high | 101 Ų | 101 | 58.2 Ų | 58.2 | 44% | 0.439 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -73.8 | -27.2 | 177 | -71.3 | -179.1 | 171.7 | -174.1 | 0 | 112.2 | E66 G67 F69 S70 | E66-K90 IonicContact OE1-NZ 2.76Å; E66-K90 PolarHBondContact OE1-NZ 2.82Å; G67-K90 VanDerWaalsContact O-CE 3.32Å; G67-K90 WeakPolarHBondContact O-CE 3.18Å; G67-K90 PolarHBondContact O-NZ 3.3Å; F69-K90 PolarHBondContact O-N 2.98Å; S70-K90 WeakPolarHBondContact O-CE 3.45Å |
| 91 | Q | 89.4 | Confident | 93.7 | Very high | 141 Ų | 141 | 60.1 Ų | 60.1 | 66% | 0.659 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -80.4 | 129.9 | 174.7 | -176.8 | 176.2 | 5.9 | 0 | 0 | 110.2 | M89 | M89-Q91 VanDerWaalsContact C-N 3.33Š|
| 92 | S | 90.8 | Very high | 93.5 | Very high | 81 Ų | 81 | 60.8 Ų | 60.8 | 57% | 0.566 | 31% | 0.31 | S | S | * | . | trans | -75.7 | 146.9 | 171.5 | 54.2 | 0 | 0 | 0 | 0 | 111.4 | G130 | S92-G130 CarbonylContact C-O 3.58Å; S92-G130 WeakPolarHBondContact CA-O 3.49Å | ||
| 93 | L | 92.5 | Very high | 93.2 | Very high | 13 Ų | 13 | 60 Ų | 60 | 7% | 0.068 | 30% | 0.304 | C | S | . | . | trans | -117.1 | 149.5 | 177 | -55.7 | 175.5 | 0 | 0 | 0 | 109.7 | Q98 A99 L102 F125 G130 L132 | L93-Q98 HydrophobicContact CD2-CG 4.22Å; L93-A99 HydrophobicContact CD1-CB 3.7Å; L93-L102 HydrophobicContact CD1-CD1 3.94Å; L93-L102 HydrophobicContact CD1-CG 4.49Å; L93-F125 HydrophobicContact CB-CE2 3.95Å; L93-G130 PolarHBondContact N-O 3.46Å; L93-G130 WeakPolarHBondContact O-CA 3.27Å; L93-L132 HydrophobicContact CD1-CB 3.93Å; L93-L132 HydrophobicContact CD1-CD2 3.62Å; L93-L132 HydrophobicContact CD1-CG 4.29Å | ||
| 94 | S | 91.8 | Very high | 93 | Very high | 108 Ų | 108 | 55.8 Ų | 55.8 | 76% | 0.755 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -80.4 | -26.7 | -179.3 | 59.3 | 0 | 0 | 0 | 0 | 112.8 | Q98 | S94-Q98 PolarHBondContact OG-OE1 3.32Å; S94-Q98 VanDerWaalsContact OG-OE1 3.09Å |
| 95 | S | 93.5 | Very high | 92.8 | Very high | 41 Ų | 41 | 54.9 Ų | 54.9 | 29% | 0.287 | 28% | 0.284 | S | S | . | . | trans | -152.4 | 160.1 | -175.5 | 76.2 | 0 | 0 | 0 | 0 | 113.8 | E97 Q98 A99 | S95-E97 PolarHBondContact O-N 2.86Å; S95-E97 PolarHBondContact OG-N 3.01Å; S95-Q98 WeakPolarHBondContact O-CB 3.4Å; S95-Q98 PolarHBondContact O-N 3.05Å; S95-Q98 PolarHBondContact OG-N 3.11Å; S95-A99 PolarHBondContact O-N 3Å; S95-A99 VanDerWaalsContact O-N 3.08Å | ||
| 96 | L | 91.4 | Very high | 92.7 | Very high | 80 Ų | 80 | 59.1 Ų | 59.1 | 42% | 0.419 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.2 | -29.5 | 171 | -179.7 | 61.4 | 0 | 0 | 0 | 111.6 | A99 N100 L123 F125 | L96-A99 HydrophobicContact CD1-CB 4.43Å; L96-A99 WeakPolarHBondContact O-CB 3.27Å; L96-A99 PolarHBondContact O-N 2.67Å; L96-N100 WeakPolarHBondContact O-CB 3.2Å; L96-N100 PolarHBondContact O-N 3.04Å; L96-N100 PolarHBondContact O-ND2 2.93Å; L96-L123 HydrophobicContact CD1-CD2 4.19Å; L96-F125 HydrophobicContact CB-CD1 3.86Å; L96-F125 HydrophobicContact CB-CE1 4.37Å; L96-F125 HydrophobicContact CB-CG 4.45Å; L96-F125 HydrophobicContact CD1-CB 3.82Å; L96-F125 HydrophobicContact CD1-CG 4.36Å |
| 97 | E | 93.7 | Very high | 92.7 | Very high | 137 Ų | 137 | 59.2 Ų | 59.2 | 64% | 0.64 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -64.2 | -46.1 | 173.8 | -173.3 | -175.6 | 173.2 | 0 | 0 | 110.8 | S95 A99 N100 N101 | S95-E97 PolarHBondContact O-N 2.86Å; S95-E97 PolarHBondContact OG-N 3.01Å; E97-A99 VanDerWaalsContact C-N 3.28Å; E97-A99 PolarHBondContact O-N 3.3Å; E97-N100 PolarHBondContact O-N 3.15Å; E97-N100 VanDerWaalsContact O-N 3.13Å; E97-N101 WeakPolarHBondContact O-CB 3.25Å; E97-N101 VanDerWaalsContact O-CG 3.27Å; E97-N101 PolarHBondContact O-N 3.05Å; E97-N101 PolarHBondContact O-ND2 3.31Å |
| 98 | Q | 93 | Very high | 92.7 | Very high | 74 Ų | 74 | 58.5 Ų | 58.5 | 35% | 0.346 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.3 | -41.8 | 174.2 | -167.6 | -173.7 | 18 | 0 | 0 | 111.4 | L93 S94 S95 N101 L102 | L93-Q98 HydrophobicContact CD2-CG 4.22Å; S94-Q98 PolarHBondContact OG-OE1 3.32Å; S94-Q98 VanDerWaalsContact OG-OE1 3.09Å; S95-Q98 WeakPolarHBondContact O-CB 3.4Å; S95-Q98 PolarHBondContact O-N 3.05Å; S95-Q98 PolarHBondContact OG-N 3.11Å; Q98-N101 PolarHBondContact O-N 3.3Å; Q98-L102 PolarHBondContact O-N 3.16Å |
| 99 | A | 92.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.2 | -44.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L93 S95 L96 E97 N101 L102 V105 L123 L132 | L93-A99 HydrophobicContact CD1-CB 3.7Å; S95-A99 PolarHBondContact O-N 3Å; S95-A99 VanDerWaalsContact O-N 3.08Å; L96-A99 HydrophobicContact CD1-CB 4.43Å; L96-A99 WeakPolarHBondContact O-CB 3.27Å; L96-A99 PolarHBondContact O-N 2.67Å; E97-A99 VanDerWaalsContact C-N 3.28Å; E97-A99 PolarHBondContact O-N 3.3Å; A99-N101 VanDerWaalsContact C-N 3.28Å; A99-N101 PolarHBondContact O-N 3.27Å; A99-L102 WeakPolarHBondContact O-CB 3.44Å; A99-L102 WeakPolarHBondContact O-CG 3.36Å; A99-L102 PolarHBondContact O-N 3.26Å; A99-V105 WeakPolarHBondContact O-CG2 3.39Å; A99-L123 HydrophobicContact CB-CD2 4.37Å; A99-L132 HydrophobicContact CB-CD1 3.64Å; A99-L132 HydrophobicContact CB-CD2 3.84Å; A99-L132 HydrophobicContact CB-CG 4.33Å |
| 100 | N | 93 | Very high | 92.8 | Very high | 39 Ų | 39 | 66.9 Ų | 66.9 | 21% | 0.209 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65 | -33.5 | 175.8 | -78 | -53.6 | 0 | 0 | 0 | 112.1 | L96 E97 L102 Q106 K109 | L96-N100 WeakPolarHBondContact O-CB 3.2Å; L96-N100 PolarHBondContact O-N 3.04Å; L96-N100 PolarHBondContact O-ND2 2.93Å; E97-N100 PolarHBondContact O-N 3.15Å; E97-N100 VanDerWaalsContact O-N 3.13Å; N100-L102 PolarHBondContact O-N 2.88Å; N100-Q106 VanDerWaalsContact O-CG 3.32Å; N100-Q106 WeakPolarHBondContact O-CG 3.4Å; N100-Q106 PolarHBondContact O-NE2 2.85Å; N100-K109 PolarHBondContact OD1-NZ 2.81Å |
| 101 | N | 92.7 | Very high | 93.1 | Very high | 103 Ų | 103 | 62.1 Ų | 62.1 | 55% | 0.551 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -4 | 179.4 | -69.5 | -20.8 | 0 | 0 | 0 | 113.8 | E97 Q98 A99 R103 | E97-N101 WeakPolarHBondContact O-CB 3.25Å; E97-N101 VanDerWaalsContact O-CG 3.27Å; E97-N101 PolarHBondContact O-N 3.05Å; E97-N101 PolarHBondContact O-ND2 3.31Å; Q98-N101 PolarHBondContact O-N 3.3Å; A99-N101 VanDerWaalsContact C-N 3.28Å; A99-N101 PolarHBondContact O-N 3.27Å; N101-R103 PolarHBondContact O-N 3.22Å |
| 102 | L | 91.9 | Very high | 93.2 | Very high | 50 Ų | 50 | 57.2 Ų | 57.2 | 26% | 0.262 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -61.5 | 134 | 171.4 | -66.7 | -178.6 | 0 | 0 | 0 | 110.6 | L93 Q98 A99 N100 E104 V105 Q106 L132 | L93-L102 HydrophobicContact CD1-CD1 3.94Å; L93-L102 HydrophobicContact CD1-CG 4.49Å; Q98-L102 PolarHBondContact O-N 3.16Å; A99-L102 WeakPolarHBondContact O-CB 3.44Å; A99-L102 WeakPolarHBondContact O-CG 3.36Å; A99-L102 PolarHBondContact O-N 3.26Å; N100-L102 PolarHBondContact O-N 2.88Å; L102-E104 VanDerWaalsContact C-N 3.25Å; L102-E104 PolarHBondContact O-N 2.95Å; L102-V105 HydrophobicContact CB-CB 4.3Å; L102-V105 HydrophobicContact CB-CG2 4.09Å; L102-V105 HydrophobicContact CD1-CG2 4.49Å; L102-V105 PolarHBondContact O-N 2.81Å; L102-Q106 PolarHBondContact O-N 2.95Å; L102-L132 HydrophobicContact CD1-CD2 3.45Å; L102-L132 VanDerWaalsContact CD1-CD2 3.45Å |
| 103 | R | 91.3 | Very high | 93.3 | Very high | 108 Ų | 108 | 58.9 Ų | 58.9 | 41% | 0.408 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -53.6 | -42.5 | 179 | -72.1 | -175.9 | -79.7 | 140.7 | -2.2 | 112.8 | N101 Q106 A107 G201 C203 R204 | N101-R103 PolarHBondContact O-N 3.22Å; R103-Q106 PolarHBondContact O-N 3.24Å; R103-A107 VanDerWaalsContact O-CB 3.31Å; R103-A107 WeakPolarHBondContact O-CB 3.36Å; R103-A107 PolarHBondContact O-N 3.36Å; R103-G201 PolarHBondContact NH1-O 2.99Å; R103-C203 PolarHBondContact NH1-O 3.38Å; R103-R204 VanDerWaalsContact CZ-NH1 3.34Å; R103-R204 VanDerWaalsContact NH1-CZ 3.25Å |
| 104 | E | 93 | Very high | 93.5 | Very high | 17 Ų | 17 | 59.7 Ų | 59.7 | 8% | 0.079 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 177.9 | -175.9 | 167.6 | -168.1 | 0 | 0 | 111.5 | K87 L102 A107 M108 L134 F200 | K87-E104 VanDerWaalsContact NZ-CD 3.29Å; K87-E104 IonicContact NZ-OE1 3.96Å; K87-E104 PolarHBondContact NZ-OE1 3.04Å; K87-E104 IonicContact NZ-OE2 3.32Å; K87-E104 PolarHBondContact NZ-OE2 3.45Å; K87-E104 VanDerWaalsContact NZ-OE2 3.1Å; L102-E104 VanDerWaalsContact C-N 3.25Å; L102-E104 PolarHBondContact O-N 2.95Å; E104-A107 PolarHBondContact O-N 3.37Å; E104-M108 HydrophobicContact CG-SD 4.36Å; E104-M108 WeakPolarHBondContact O-CB 3.3Å; E104-M108 VanDerWaalsContact O-CG 3.27Å; E104-M108 WeakPolarHBondContact O-CG 3.14Å; E104-M108 PolarHBondContact O-N 2.76Å; E104-L134 HydrophobicContact CG-CD2 4.22Å; E104-F200 HydrophobicContact CG-CB 4.22Å |
| 105 | V | 93.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.7 | -44.6 | 179.1 | 176.2 | 0 | 0 | 0 | 0 | 111.2 | A99 L102 A107 M108 K109 L123 L134 | A99-V105 WeakPolarHBondContact O-CG2 3.39Å; L102-V105 HydrophobicContact CB-CB 4.3Å; L102-V105 HydrophobicContact CB-CG2 4.09Å; L102-V105 HydrophobicContact CD1-CG2 4.49Å; L102-V105 PolarHBondContact O-N 2.81Å; V105-A107 PolarHBondContact O-N 3.43Å; V105-M108 PolarHBondContact O-N 3.37Å; V105-K109 HydrophobicContact CG1-CD 4.2Å; V105-K109 WeakPolarHBondContact O-CB 3.3Å; V105-K109 WeakPolarHBondContact O-CG 3.48Å; V105-K109 PolarHBondContact O-N 2.82Å; V105-L123 HydrophobicContact CG1-CD2 4.18Å; V105-L123 HydrophobicContact CG2-CD1 4.03Å; V105-L134 HydrophobicContact CG2-CD2 4.16Å |
| 106 | Q | 94.9 | Very high | 94 | Very high | 90 Ų | 90 | 56.2 Ų | 56.2 | 42% | 0.421 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 176.6 | -71.6 | -65.8 | -29.4 | 0 | 0 | 111.9 | N100 L102 R103 K109 K110 | N100-Q106 VanDerWaalsContact O-CG 3.32Å; N100-Q106 WeakPolarHBondContact O-CG 3.4Å; N100-Q106 PolarHBondContact O-NE2 2.85Å; L102-Q106 PolarHBondContact O-N 2.95Å; R103-Q106 PolarHBondContact O-N 3.24Å; Q106-K109 PolarHBondContact O-N 3.21Å; Q106-K110 WeakPolarHBondContact O-CB 3.46Å; Q106-K110 PolarHBondContact O-N 3.24Å |
| 107 | A | 95.6 | Very high | 94.3 | Very high | 2 Ų | 2 | 52.4 Ų | 52.4 | 2% | 0.017 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.3 | -46.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | R103 E104 V105 K109 K110 L111 I178 F200 C203 | R103-A107 VanDerWaalsContact O-CB 3.31Å; R103-A107 WeakPolarHBondContact O-CB 3.36Å; R103-A107 PolarHBondContact O-N 3.36Å; E104-A107 PolarHBondContact O-N 3.37Å; V105-A107 PolarHBondContact O-N 3.43Å; A107-K109 VanDerWaalsContact C-N 3.31Å; A107-K109 PolarHBondContact O-N 3.21Å; A107-K110 PolarHBondContact O-N 2.86Å; A107-L111 HydrophobicContact CB-CD1 4.44Å; A107-L111 VanDerWaalsContact O-CB 3.28Å; A107-L111 WeakPolarHBondContact O-CB 3.46Å; A107-L111 WeakPolarHBondContact O-CG 3.41Å; A107-L111 PolarHBondContact O-N 2.78Å; A107-I178 HydrophobicContact CB-CD1 4.17Å; A107-F200 HydrophobicContact CB-CB 3.83Å; A107-F200 HydrophobicContact CB-CG 4.21Å; A107-C203 VanDerWaalsContact CB-SG 3.6Å |
| 108 | M | 95 | Very high | 94.5 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.02 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.1 | -39.1 | 177.4 | -73 | -175.4 | 113.1 | 0 | 0 | 112.6 | E104 V105 N112 I118 L120 L134 F200 | E104-M108 HydrophobicContact CG-SD 4.36Å; E104-M108 WeakPolarHBondContact O-CB 3.3Å; E104-M108 VanDerWaalsContact O-CG 3.27Å; E104-M108 WeakPolarHBondContact O-CG 3.14Å; E104-M108 PolarHBondContact O-N 2.76Å; V105-M108 PolarHBondContact O-N 3.37Å; M108-N112 VanDerWaalsContact O-CB 3.29Å; M108-N112 WeakPolarHBondContact O-CB 3.49Å; M108-N112 PolarHBondContact O-N 3.2Å; M108-N112 PolarHBondContact O-ND2 2.94Å; M108-I118 HydrophobicContact CE-CG2 3.67Å; M108-L120 HydrophobicContact CB-CB 4.1Å; M108-L120 HydrophobicContact CB-CD2 4.13Å; M108-L120 HydrophobicContact CE-CB 4.15Å; M108-L120 HydrophobicContact SD-CB 4.13Å; M108-L120 HydrophobicContact SD-CD1 4.18Å; M108-L120 HydrophobicContact SD-CD2 4.45Å; M108-L120 HydrophobicContact SD-CG 4.49Å; M108-L134 HydrophobicContact SD-CD2 3.85Å; M108-F200 HydrophobicContact CE-CE2 4.39Å; M108-F200 HydrophobicContact CG-CD2 3.5Å; M108-F200 VanDerWaalsContact CG-CD2 3.5Å; M108-F200 HydrophobicContact CG-CE2 3.87Å |
| 109 | K | 93.9 | Very high | 94.6 | Very high | 107 Ų | 107 | 46.9 Ų | 46.9 | 47% | 0.465 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -66.8 | -45 | 176 | -75.8 | -179.4 | 173.9 | -174.3 | 0 | 111.9 | N100 V105 Q106 A107 | N100-K109 PolarHBondContact OD1-NZ 2.81Å; V105-K109 HydrophobicContact CG1-CD 4.2Å; V105-K109 WeakPolarHBondContact O-CB 3.3Å; V105-K109 WeakPolarHBondContact O-CG 3.48Å; V105-K109 PolarHBondContact O-N 2.82Å; Q106-K109 PolarHBondContact O-N 3.21Å; A107-K109 VanDerWaalsContact C-N 3.31Å; A107-K109 PolarHBondContact O-N 3.21Å |
| 110 | K | 95.7 | Very high | 94.7 | Very high | 109 Ų | 109 | 48.2 Ų | 48.2 | 47% | 0.474 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -70.4 | -36 | -178 | -171.6 | 172.7 | -175.2 | -171.3 | 0 | 113.3 | Q106 A107 N176 I178 | Q106-K110 WeakPolarHBondContact O-CB 3.46Å; Q106-K110 PolarHBondContact O-N 3.24Å; A107-K110 PolarHBondContact O-N 2.86Å; K110-N176 VanDerWaalsContact CE-O 3.3Å; K110-N176 WeakPolarHBondContact CE-O 3.43Å; K110-N176 PolarHBondContact NZ-O 3.27Å; K110-I178 HydrophobicContact CB-CD1 4.47Å; K110-I178 HydrophobicContact CD-CD1 4.1Å |
| 111 | L | 95.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -86.7 | -12.3 | -174.9 | -63.1 | 173.5 | 0 | 0 | 0 | 113.5 | A107 I117 H172 M173 N176 I178 F200 | A107-L111 HydrophobicContact CB-CD1 4.44Å; A107-L111 VanDerWaalsContact O-CB 3.28Å; A107-L111 WeakPolarHBondContact O-CB 3.46Å; A107-L111 WeakPolarHBondContact O-CG 3.41Å; A107-L111 PolarHBondContact O-N 2.78Å; L111-I117 HydrophobicContact CB-CG2 4.11Å; L111-H172 PolarHBondContact O-NE2 2.7Å; L111-M173 HydrophobicContact CD1-CE 4.19Å; L111-M173 HydrophobicContact CD1-CG 3.87Å; L111-M173 HydrophobicContact CD1-SD 4.14Å; L111-M173 HydrophobicContact CD2-CB 4.21Å; L111-M173 HydrophobicContact CD2-CG 4.09Å; L111-N176 HydrophobicContact CD2-CB 3.89Å; L111-I178 HydrophobicContact CD1-CD1 4.35Å; L111-I178 HydrophobicContact CD2-CD1 4.2Å; L111-I178 HydrophobicContact CG-CD1 4.14Å; L111-F200 HydrophobicContact CD1-CD1 4.3Å; L111-F200 HydrophobicContact CD1-CE1 4.07Å; L111-F200 HydrophobicContact CD1-CZ 4.46Å |
| 112 | N | 90.4 | Very high | 94.9 | Very high | 38 Ų | 38 | 48.4 Ų | 48.4 | 20% | 0.203 | 24% | 0.238 | C | C | . | . | trans | -90.8 | 142.5 | 178.2 | -85.1 | -50.6 | 0 | 0 | 0 | 112.2 | M108 I118 L120 | M108-N112 VanDerWaalsContact O-CB 3.29Å; M108-N112 WeakPolarHBondContact O-CB 3.49Å; M108-N112 PolarHBondContact O-N 3.2Å; M108-N112 PolarHBondContact O-ND2 2.94Å; N112-I118 PolarHBondContact ND2-O 3.13Å; N112-L120 PolarHBondContact ND2-N 2.83Å | ||
| 113 | P | 94.1 | Very high | 95 | Very high | 116 Ų | 116 | 47.8 Ų | 47.8 | 75% | 0.753 | 24% | 0.235 | S | C | * | . | S | Bend | cis | -87.8 | 142.6 | -1.8 | 33.7 | -33.1 | 0 | 0 | 0 | 113 | ||
| 114 | H | 97.2 | Very high | 95.2 | Very high | 31 Ų | 31 | 42.7 Ų | 42.7 | 14% | 0.144 | 22% | 0.216 | C | C | . | . | trans | -149.2 | 136.9 | 165.6 | -177.5 | -87.9 | 0 | 0 | 0 | 110.7 | N116 I117 H172 | H114-N116 PolarHBondContact ND1-N 2.86Å; H114-N116 PolarHBondContact O-N 3.33Å; H114-N116 VanDerWaalsContact O-N 3.12Å; H114-I117 HydrophobicContact CB-CB 4.02Å; H114-I117 HydrophobicContact CB-CG1 3.9Å; H114-I117 PolarHBondContact O-N 3.43Å; H114-I117 VanDerWaalsContact O-N 3.13Å; H114-H172 AromaticContact CD2-CD2 3.88Å; H114-H172 AromaticContact CD2-CG 3.5Å; H114-H172 VanDerWaalsContact CD2-CG 3.5Å; H114-H172 AromaticContact CD2-ND1 3.77Å; H114-H172 AromaticContact CG-CD2 3.76Å; H114-H172 AromaticContact CG-CG 3.85Å | ||
| 115 | P | 97.1 | Very high | 95.3 | Very high | 71 Ų | 71 | 43.3 Ų | 43.3 | 46% | 0.461 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -27.2 | -173.6 | 22.6 | -34.9 | 0 | 0 | 0 | 113.8 | K196 | P115-K196 WeakPolarHBondContact O-CE 3.4Å; P115-K196 VanDerWaalsContact O-CG 3.31Å; P115-K196 WeakPolarHBondContact O-CG 3.47Å; P115-K196 PolarHBondContact O-NZ 3Å |
| 116 | N | 98.5 | Very high | 95.3 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 16.7 | -179.4 | -50.3 | 116.3 | 0 | 0 | 0 | 114.3 | H114 Q165 S169 L195 K196 L197 | H114-N116 PolarHBondContact ND1-N 2.86Å; H114-N116 PolarHBondContact O-N 3.33Å; H114-N116 VanDerWaalsContact O-N 3.12Å; N116-Q165 HydrophobicContact CB-CB 4.47Å; N116-Q165 WeakPolarHBondContact CB-O 3.49Å; N116-Q165 WeakPolarHBondContact ND2-CB 3.41Å; N116-Q165 VanDerWaalsContact ND2-CG 3.34Å; N116-Q165 WeakPolarHBondContact ND2-CG 3.37Å; N116-Q165 PolarHBondContact ND2-OE1 3.28Å; N116-S169 WeakPolarHBondContact O-CB 3.26Å; N116-L195 VanDerWaalsContact CA-O 3.3Å; N116-L195 WeakPolarHBondContact CA-O 3.31Å; N116-L195 WeakPolarHBondContact CB-O 3.29Å; N116-L195 PolarHBondContact ND2-O 3.12Å; N116-K196 WeakPolarHBondContact O-CA 3.38Å; N116-L197 PolarHBondContact O-N 2.88Å |
| 117 | I | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -114.8 | 142.8 | 169.4 | -65.7 | -67.5 | 0 | 0 | 0 | 108 | L111 H114 Q119 K196 L197 F200 | L111-I117 HydrophobicContact CB-CG2 4.11Å; H114-I117 HydrophobicContact CB-CB 4.02Å; H114-I117 HydrophobicContact CB-CG1 3.9Å; H114-I117 PolarHBondContact O-N 3.43Å; H114-I117 VanDerWaalsContact O-N 3.13Å; I117-Q119 PolarHBondContact O-N 2.92Å; I117-K196 PolarHBondContact O-NZ 3.03Å; I117-L197 HydrophobicContact CD1-CB 4.29Å; I117-F200 HydrophobicContact CD1-CE1 4.38Å; I117-F200 HydrophobicContact CD1-CZ 4.21Å; I117-F200 HydrophobicContact CG2-CE2 4.28Å; I117-F200 HydrophobicContact CG2-CZ 3.83Å |
| 118 | I | 97.1 | Very high | 94.8 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 128.9 | 176.4 | -170.7 | 71.2 | 0 | 0 | 0 | 110.6 | M108 N112 C136 E137 M139 L189 L197 F200 | M108-I118 HydrophobicContact CE-CG2 3.67Å; N112-I118 PolarHBondContact ND2-O 3.13Å; I118-C136 HydrophobicContact CG1-CB 4.24Å; I118-E137 HydrophobicContact CD1-CG 3.33Å; I118-E137 HydrophobicContact CG1-CG 4.26Å; I118-M139 HydrophobicContact CD1-CG 3.73Å; I118-M139 HydrophobicContact CD1-SD 4.29Å; I118-L189 HydrophobicContact CB-CD1 4.48Å; I118-L189 HydrophobicContact CD1-CD1 3.86Å; I118-L189 HydrophobicContact CG1-CD1 4.26Å; I118-L197 PolarHBondContact N-O 3.09Å; I118-F200 HydrophobicContact CG2-CE2 3.62Å; I118-F200 HydrophobicContact CG2-CZ 4.15Å |
| 119 | Q | 94.9 | Very high | 94.5 | Very high | 94 Ų | 94 | 57.4 Ų | 57.4 | 44% | 0.439 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -83.5 | 126.4 | -177.8 | -171.1 | 174.6 | 0.5 | 0 | 0 | 111.5 | I117 C136 E137 | I117-Q119 PolarHBondContact O-N 2.92Å; Q119-C136 VanDerWaalsContact O-CA 3.3Å; Q119-C136 WeakPolarHBondContact O-CA 3.39Å; Q119-E137 HydrophobicContact CB-CG 4.27Å; Q119-E137 WeakPolarHBondContact CB-OE1 3.32Å; Q119-E137 PolarHBondContact N-OE1 3.31Å; Q119-E137 PolarHBondContact O-N 2.9Å; Q119-E137 VanDerWaalsContact O-N 3.13Å |
| 120 | L | 95.3 | Very high | 94.4 | Very high | 27 Ų | 27 | 52.6 Ų | 52.6 | 14% | 0.141 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 119 | 165.1 | -178.9 | 67.5 | 0 | 0 | 0 | 108.3 | M108 N112 L134 | M108-L120 HydrophobicContact CB-CB 4.1Å; M108-L120 HydrophobicContact CB-CD2 4.13Å; M108-L120 HydrophobicContact CE-CB 4.15Å; M108-L120 HydrophobicContact SD-CB 4.13Å; M108-L120 HydrophobicContact SD-CD1 4.18Å; M108-L120 HydrophobicContact SD-CD2 4.45Å; M108-L120 HydrophobicContact SD-CG 4.49Å; N112-L120 PolarHBondContact ND2-N 2.83Å; L120-L134 HydrophobicContact CD1-CB 3.95Å; L120-L134 HydrophobicContact CD1-CG 4.38Å |
| 121 | H | 94.4 | Very high | 94.3 | Very high | 94 Ų | 94 | 48.4 Ų | 48.4 | 44% | 0.435 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | -48.9 | 177.2 | -177.1 | 64.4 | 0 | 0 | 0 | 111.5 | Y58 Y84 V135 | Y58-H121 PolarHBondContact OH-CD2 3.03Å; Y84-H121 HydrophobicContact CD1-CB 4.27Å; Y84-H121 HydrophobicContact CE1-CB 4.04Å; Y84-H121 AromaticContact CE1-CD2 3.83Å; Y84-H121 AromaticContact CE1-CG 3.72Å; Y84-H121 AromaticContact CZ-CD2 3.99Å; H121-V135 WeakPolarHBondContact CA-O 3.32Å; H121-V135 HydrophobicContact CB-CG1 4.26Å; H121-V135 WeakPolarHBondContact CB-O 3.49Å; H121-V135 PolarHBondContact N-O 2.82Å |
| 122 | E | 94.3 | Very high | 94.3 | Very high | 53 Ų | 53 | 48.4 Ų | 48.4 | 25% | 0.248 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 149.7 | -175.1 | -172.7 | 178.6 | -179.4 | 0 | 0 | 110.8 | Y58 I124 V135 | Y58-E122 WeakPolarHBondContact CE2-OE2 3.44Å; Y58-E122 PolarHBondContact OH-OE2 3.31Å; E122-I124 HydrophobicContact CG-CG1 4.21Å; E122-V135 HydrophobicContact CB-CB 4.04Å; E122-V135 HydrophobicContact CB-CG2 4.15Å; E122-V135 PolarHBondContact N-O 2.97Å; E122-V135 WeakPolarHBondContact O-CB 3.3Å; E122-V135 PolarHBondContact O-N 2.8Å |
| 123 | L | 95.2 | Very high | 94.5 | Very high | 36 Ų | 36 | 46.6 Ų | 46.6 | 19% | 0.188 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 119.3 | 169.9 | -167.6 | 71.7 | 0 | 0 | 0 | 109.1 | L96 A99 V105 L132 L134 | L96-L123 HydrophobicContact CD1-CD2 4.19Å; A99-L123 HydrophobicContact CB-CD2 4.37Å; V105-L123 HydrophobicContact CG1-CD2 4.18Å; V105-L123 HydrophobicContact CG2-CD1 4.03Å; L123-L132 HydrophobicContact CD1-CD1 3.64Å; L123-L132 HydrophobicContact CD1-CD2 4.37Å; L123-L132 HydrophobicContact CD1-CG 4.2Å; L123-L132 HydrophobicContact CD2-CD1 4.19Å; L123-L132 HydrophobicContact CG-CD1 3.75Å; L123-L134 HydrophobicContact CD1-CD1 4.2Å; L123-L134 HydrophobicContact CD1-CG 3.81Å |
| 124 | I | 95.4 | Very high | 94.6 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 118 | 179.6 | -63 | 170.1 | 0 | 0 | 0 | 108.8 | L52 L53 K56 Y58 E122 L132 S133 V135 | L52-I124 HydrophobicContact CD1-CG2 3.5Å; L52-I124 VanDerWaalsContact CD1-CG2 3.5Å; L52-I124 HydrophobicContact CD2-CG2 4.11Å; L52-I124 HydrophobicContact CG-CG2 3.77Å; L53-I124 HydrophobicContact CD2-CD1 3.89Å; K56-I124 HydrophobicContact CB-CD1 3.87Å; K56-I124 HydrophobicContact CB-CG1 4.42Å; K56-I124 HydrophobicContact CG-CD1 4.15Å; K56-I124 HydrophobicContact CG-CG1 4.23Å; K56-I124 HydrophobicContact CG-CG2 3.78Å; Y58-I124 HydrophobicContact CD2-CD1 3.82Å; Y58-I124 HydrophobicContact CE2-CD1 3.72Å; E122-I124 HydrophobicContact CG-CG1 4.21Å; I124-L132 CarbonylContact O-C 3.43Å; I124-S133 PolarHBondContact N-O 2.97Å; I124-S133 PolarHBondContact O-N 3.46Å; I124-V135 HydrophobicContact CD1-CG2 3.55Å; I124-V135 HydrophobicContact CG1-CG2 4.1Å |
| 125 | F | 94.8 | Very high | 94.6 | Very high | 29 Ų | 29 | 39.7 Ų | 39.7 | 13% | 0.127 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 127.1 | 175.5 | 178.7 | -112.6 | 0 | 0 | 0 | 110.5 | L93 L96 K127 T131 L132 | L93-F125 HydrophobicContact CB-CE2 3.95Å; L96-F125 HydrophobicContact CB-CD1 3.86Å; L96-F125 HydrophobicContact CB-CE1 4.37Å; L96-F125 HydrophobicContact CB-CG 4.45Å; L96-F125 HydrophobicContact CD1-CB 3.82Å; L96-F125 HydrophobicContact CD1-CG 4.36Å; F125-K127 HydrophobicContact CD1-CG 4.14Å; F125-K127 HydrophobicContact CE1-CB 4.47Å; F125-K127 HydrophobicContact CE1-CG 3.88Å; F125-T131 WeakPolarHBondContact CA-O 3.2Å; F125-L132 HydrophobicContact CB-CD1 4.14Å; F125-L132 HydrophobicContact CD2-CD1 4.29Å |
| 126 | D | 93.4 | Very high | 94.6 | Very high | 23 Ų | 23 | 36.5 Ų | 36.5 | 12% | 0.123 | 18% | 0.178 | C | C | . | . | trans | -93.2 | 118.2 | 170.1 | -166.4 | 1.4 | 0 | 0 | 0 | 110.4 | L52 E128 S129 G130 T131 | L52-D126 HydrophobicContact CD1-CB 3.66Å; L52-D126 HydrophobicContact CD2-CB 4.18Å; L52-D126 HydrophobicContact CG-CB 4.45Å; D126-E128 VanDerWaalsContact C-N 3.32Å; D126-E128 PolarHBondContact OD1-N 3.42Å; D126-E128 VanDerWaalsContact OD1-N 3.16Å; D126-S129 WeakPolarHBondContact CB-OG 3.28Å; D126-S129 PolarHBondContact OD2-OG 3.44Å; D126-S129 VanDerWaalsContact OD2-OG 3.11Å; D126-G130 CarbonylContact O-C 3.52Å; D126-G130 WeakPolarHBondContact O-CA 3.47Å; D126-G130 PolarHBondContact O-N 3.47Å; D126-T131 PolarHBondContact N-O 2.98Å | ||
| 127 | K | 90.1 | Very high | 94.5 | Very high | 182 Ų | 182 | 38.1 Ų | 38.1 | 79% | 0.791 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70 | -30.2 | 177.5 | -67.9 | -176 | 178.5 | -177.1 | 0 | 112.2 | F125 | F125-K127 HydrophobicContact CD1-CG 4.14Å; F125-K127 HydrophobicContact CE1-CB 4.47Å; F125-K127 HydrophobicContact CE1-CG 3.88Å |
| 128 | E | 89.3 | Confident | 94.4 | Very high | 149 Ų | 149 | 39.1 Ų | 39.1 | 70% | 0.696 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -46.2 | -176.3 | -69.7 | 171.5 | -162.2 | 0 | 0 | 111.5 | K55 D126 | K55-E128 IonicContact NZ-OE2 3.81Å; D126-E128 VanDerWaalsContact C-N 3.32Å; D126-E128 PolarHBondContact OD1-N 3.42Å; D126-E128 VanDerWaalsContact OD1-N 3.16Å |
| 129 | S | 89.7 | Confident | 94.4 | Very high | 38 Ų | 38 | 39.3 Ų | 39.3 | 27% | 0.266 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -12.6 | -178.1 | 70.6 | 0 | 0 | 0 | 0 | 114.2 | D126 T131 | D126-S129 WeakPolarHBondContact CB-OG 3.28Å; D126-S129 PolarHBondContact OD2-OG 3.44Å; D126-S129 VanDerWaalsContact OD2-OG 3.11Å; S129-T131 PolarHBondContact O-N 3.08Å; S129-T131 WeakPolarHBondContact OG-CB 3.37Å; S129-T131 PolarHBondContact OG-N 3.44Å; S129-T131 VanDerWaalsContact OG-N 3.15Å; S129-T131 PolarHBondContact OG-OG1 3.39Å |
| 130 | G | 92.3 | Very high | 94.4 | Very high | 6 Ų | 6 | 37.3 Ų | 37.3 | 6% | 0.062 | 18% | 0.182 | C | C | . | . | trans | 68.5 | 12.9 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S92 L93 D126 | S92-G130 CarbonylContact C-O 3.58Å; S92-G130 WeakPolarHBondContact CA-O 3.49Å; L93-G130 PolarHBondContact N-O 3.46Å; L93-G130 WeakPolarHBondContact O-CA 3.27Å; D126-G130 CarbonylContact O-C 3.52Å; D126-G130 WeakPolarHBondContact O-CA 3.47Å; D126-G130 PolarHBondContact O-N 3.47Å | ||
| 131 | T | 93.3 | Very high | 94.3 | Very high | 21 Ų | 21 | 38.5 Ų | 38.5 | 13% | 0.129 | 19% | 0.187 | C | C | . | . | trans | -76.1 | 130.1 | -176.3 | -58.9 | 0 | 0 | 0 | 0 | 111 | L52 T88 F125 D126 S129 | L52-T131 HydrophobicContact CD2-CG2 3.62Å; T88-T131 HydrophobicContact CG2-CG2 3.5Å; F125-T131 WeakPolarHBondContact CA-O 3.2Å; D126-T131 PolarHBondContact N-O 2.98Å; S129-T131 PolarHBondContact O-N 3.08Å; S129-T131 WeakPolarHBondContact OG-CB 3.37Å; S129-T131 PolarHBondContact OG-N 3.44Å; S129-T131 VanDerWaalsContact OG-N 3.15Å; S129-T131 PolarHBondContact OG-OG1 3.39Å | ||
| 132 | L | 94.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 130 | 174.9 | -176.1 | 66.7 | 0 | 0 | 0 | 110.8 | T88 M89 L93 A99 L102 L123 I124 F125 L134 | T88-L132 CarbonylContact C-O 3.52Å; T88-L132 WeakPolarHBondContact CA-O 3.32Å; M89-L132 HydrophobicContact CB-CB 4.37Å; M89-L132 HydrophobicContact CG-CB 4.16Å; M89-L132 HydrophobicContact CG-CD2 4.12Å; M89-L132 HydrophobicContact CG-CG 4.36Å; M89-L132 PolarHBondContact N-O 2.85Å; L93-L132 HydrophobicContact CD1-CB 3.93Å; L93-L132 HydrophobicContact CD1-CD2 3.62Å; L93-L132 HydrophobicContact CD1-CG 4.29Å; A99-L132 HydrophobicContact CB-CD1 3.64Å; A99-L132 HydrophobicContact CB-CD2 3.84Å; A99-L132 HydrophobicContact CB-CG 4.33Å; L102-L132 HydrophobicContact CD1-CD2 3.45Å; L102-L132 VanDerWaalsContact CD1-CD2 3.45Å; L123-L132 HydrophobicContact CD1-CD1 3.64Å; L123-L132 HydrophobicContact CD1-CD2 4.37Å; L123-L132 HydrophobicContact CD1-CG 4.2Å; L123-L132 HydrophobicContact CD2-CD1 4.19Å; L123-L132 HydrophobicContact CG-CD1 3.75Å; I124-L132 CarbonylContact O-C 3.43Å; F125-L132 HydrophobicContact CB-CD1 4.14Å; F125-L132 HydrophobicContact CD2-CD1 4.29Å; L132-L134 HydrophobicContact CD2-CD1 3.98Å; L132-L134 HydrophobicContact CG-CD1 4.03Å |
| 133 | S | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 129.1 | 171.6 | -54.4 | 0 | 0 | 0 | 0 | 111.2 | K87 T88 I124 | K87-S133 CarbonylContact O-C 3.43Å; K87-S133 WeakPolarHBondContact O-CA 3.34Å; T88-S133 PolarHBondContact OG1-OG 3.31Å; I124-S133 PolarHBondContact N-O 2.97Å; I124-S133 PolarHBondContact O-N 3.46Å |
| 134 | L | 95.9 | Very high | 94.6 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 113.3 | 174.4 | -68.2 | 74.9 | 0 | 0 | 0 | 108.1 | C86 K87 M89 E104 V105 M108 L120 L123 L132 | C86-L134 WeakPolarHBondContact CA-O 3.35Å; K87-L134 HydrophobicContact CB-CB 4.43Å; K87-L134 PolarHBondContact N-O 2.89Å; K87-L134 PolarHBondContact O-N 2.83Å; M89-L134 HydrophobicContact CG-CD1 4.11Å; M89-L134 HydrophobicContact SD-CD1 4.19Å; E104-L134 HydrophobicContact CG-CD2 4.22Å; V105-L134 HydrophobicContact CG2-CD2 4.16Å; M108-L134 HydrophobicContact SD-CD2 3.85Å; L120-L134 HydrophobicContact CD1-CB 3.95Å; L120-L134 HydrophobicContact CD1-CG 4.38Å; L123-L134 HydrophobicContact CD1-CD1 4.2Å; L123-L134 HydrophobicContact CD1-CG 3.81Å; L132-L134 HydrophobicContact CD2-CD1 3.98Å; L132-L134 HydrophobicContact CG-CD1 4.03Å |
| 135 | V | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 113.5 | 176.9 | -173.5 | 0 | 0 | 0 | 0 | 108.5 | Y58 Y84 H121 E122 I124 | Y58-V135 HydrophobicContact CE1-CG1 3.76Å; Y58-V135 HydrophobicContact CE1-CG2 4.48Å; Y58-V135 HydrophobicContact CE2-CG2 4.28Å; Y84-V135 HydrophobicContact CD1-CG1 3.92Å; Y84-V135 HydrophobicContact CG-CG1 3.8Å; H121-V135 WeakPolarHBondContact CA-O 3.32Å; H121-V135 HydrophobicContact CB-CG1 4.26Å; H121-V135 WeakPolarHBondContact CB-O 3.49Å; H121-V135 PolarHBondContact N-O 2.82Å; E122-V135 HydrophobicContact CB-CB 4.04Å; E122-V135 HydrophobicContact CB-CG2 4.15Å; E122-V135 PolarHBondContact N-O 2.97Å; E122-V135 WeakPolarHBondContact O-CB 3.3Å; E122-V135 PolarHBondContact O-N 2.8Å; I124-V135 HydrophobicContact CD1-CG2 3.55Å; I124-V135 HydrophobicContact CG1-CG2 4.1Å |
| 136 | C | 96.8 | Very high | 94.6 | Very high | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.034 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 159.6 | -177.5 | -54.9 | 0 | 0 | 0 | 0 | 110.9 | Y84 A85 I118 Q119 | Y84-C136 WeakPolarHBondContact CA-O 3.48Å; Y84-C136 WeakPolarHBondContact CB-O 3.37Å; Y84-C136 WeakPolarHBondContact CD1-O 3.24Å; A85-C136 PolarHBondContact N-O 2.97Å; A85-C136 PolarHBondContact O-N 3.46Å; I118-C136 HydrophobicContact CG1-CB 4.24Å; Q119-C136 VanDerWaalsContact O-CA 3.3Å; Q119-C136 WeakPolarHBondContact O-CA 3.39Å |
| 137 | E | 95.5 | Very high | 94.8 | Very high | 37 Ų | 37 | 36.2 Ų | 36.2 | 17% | 0.173 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 141.9 | 169.3 | 68.3 | -178.9 | 120 | 0 | 0 | 111.3 | I118 Q119 M139 K196 | I118-E137 HydrophobicContact CD1-CG 3.33Å; I118-E137 HydrophobicContact CG1-CG 4.26Å; Q119-E137 HydrophobicContact CB-CG 4.27Å; Q119-E137 WeakPolarHBondContact CB-OE1 3.32Å; Q119-E137 PolarHBondContact N-OE1 3.31Å; Q119-E137 PolarHBondContact O-N 2.9Å; Q119-E137 VanDerWaalsContact O-N 3.13Å; E137-M139 HydrophobicContact CG-SD 4.34Å; E137-K196 VanDerWaalsContact CD-CE 3.49Å; E137-K196 WeakPolarHBondContact OE1-CD 3.49Å; E137-K196 WeakPolarHBondContact OE1-CE 3.46Å; E137-K196 IonicContact OE1-NZ 3.54Å; E137-K196 PolarHBondContact OE1-NZ 3.23Å; E137-K196 WeakPolarHBondContact OE2-CD 3.46Å; E137-K196 WeakPolarHBondContact OE2-CE 3.36Å; E137-K196 IonicContact OE2-NZ 2.72Å |
| 138 | L | 96.8 | Very high | 95 | Very high | 22 Ų | 22 | 35.8 Ų | 35.8 | 12% | 0.115 | 17% | 0.165 | C | C | . | . | P | Polyproline II helix | trans | -83.3 | 124 | 179 | -177 | 67.3 | 0 | 0 | 0 | 111.4 | I64 K74 Y83 A85 K191 | I64-L138 HydrophobicContact CD1-CD1 3.91Å; K74-L138 HydrophobicContact CD-CD2 3.87Å; K74-L138 HydrophobicContact CG-CD2 4Å; Y83-L138 WeakPolarHBondContact O-CB 3.3Å; A85-L138 HydrophobicContact CB-CD1 4.01Å; L138-K191 WeakPolarHBondContact O-CD 3.46Å; L138-K191 PolarHBondContact O-NZ 2.72Å |
| 139 | M | 96.9 | Very high | 95 | Very high | 5 Ų | 5 | 31.9 Ų | 31.9 | 3% | 0.025 | 17% | 0.165 | C | C | . | . | B | Isolated β-bridge | trans | -97.6 | 161.6 | 173.2 | -58.9 | -58.4 | -74.8 | 0 | 0 | 111.5 | I118 E137 L189 K191 K196 | I118-M139 HydrophobicContact CD1-CG 3.73Å; I118-M139 HydrophobicContact CD1-SD 4.29Å; E137-M139 HydrophobicContact CG-SD 4.34Å; M139-L189 HydrophobicContact CB-CB 3.88Å; M139-L189 HydrophobicContact CB-CD1 4.48Å; M139-L189 HydrophobicContact CE-CB 4Å; M139-L189 HydrophobicContact CG-CB 3.7Å; M139-L189 HydrophobicContact CG-CD1 3.93Å; M139-L189 HydrophobicContact CG-CG 4.42Å; M139-K191 HydrophobicContact CE-CB 3.62Å; M139-K191 HydrophobicContact SD-CB 3.96Å; M139-K191 HydrophobicContact SD-CD 4.26Å; M139-K196 HydrophobicContact CE-CB 4.06Å; M139-K196 HydrophobicContact CE-CD 3.98Å; M139-K196 HydrophobicContact CE-CG 4.22Å; M139-K196 HydrophobicContact SD-CD 3.94Å |
| 140 | E | 94.6 | Very high | 95.3 | Very high | 53 Ų | 53 | 34.3 Ų | 34.3 | 25% | 0.248 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -84.8 | -42.1 | -176.5 | -71.8 | -168.8 | 117.5 | 0 | 0 | 113.2 | V8 K11 I190 K191 H192 | V8-E140 VanDerWaalsContact CG1-O 3.31Å; V8-E140 WeakPolarHBondContact CG1-O 3.15Å; K11-E140 IonicContact NZ-OE1 2.82Å; K11-E140 PolarHBondContact NZ-OE1 2.9Å; E140-I190 WeakPolarHBondContact CB-O 3.18Å; E140-I190 PolarHBondContact N-O 2.91Å; E140-K191 HydrophobicContact CG-CB 4.36Å; E140-K191 HydrophobicContact CG-CG 4.11Å; E140-H192 PolarHBondContact OE2-N 3.34Å |
| 141 | M | 94.5 | Very high | 95.2 | Very high | 52 Ų | 52 | 41.8 Ų | 41.8 | 26% | 0.256 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | 175.8 | 176.7 | 63.2 | -166.3 | 73 | 0 | 0 | 111.5 | V8 E145 Y146 L189 I190 | V8-M141 VanDerWaalsContact CG1-CA 3.44Å; V8-M141 HydrophobicContact CG1-CB 3.79Å; V8-M141 VanDerWaalsContact CG2-C 3.48Å; V8-M141 VanDerWaalsContact CG2-CA 3.42Å; V8-M141 HydrophobicContact CG2-CB 4.46Å; M141-E145 HydrophobicContact CB-CB 4.39Å; M141-E145 WeakPolarHBondContact CB-OE2 3.29Å; M141-Y146 HydrophobicContact SD-CD2 3.64Å; M141-Y146 HydrophobicContact SD-CG 4.27Å; M141-L189 CarbonylContact O-C 3.54Å; M141-I190 HydrophobicContact CG-CD1 3.56Å; M141-I190 HydrophobicContact CG-CG1 3.43Å; M141-I190 VanDerWaalsContact CG-CG1 3.43Å; M141-I190 PolarHBondContact N-O 3.13Å; M141-I190 WeakPolarHBondContact O-CG1 3.23Å; M141-I190 PolarHBondContact O-N 3.38Å; M141-I190 HydrophobicContact SD-CD1 4.11Å |
| 142 | N | 96.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 168.3 | 168.5 | 61.5 | 54 | 0 | 0 | 0 | 111.2 | V8 Y144 E145 Y146 E186 I188 L189 | V8-N142 HydrophobicContact CG2-CB 4.22Å; N142-Y144 VanDerWaalsContact C-N 3.28Å; N142-Y144 PolarHBondContact O-N 2.96Å; N142-Y144 VanDerWaalsContact OD1-CB 3.31Å; N142-Y144 WeakPolarHBondContact OD1-CB 3.41Å; N142-Y144 PolarHBondContact OD1-N 3.46Å; N142-E145 VanDerWaalsContact CG-OE2 3.25Å; N142-E145 PolarHBondContact N-OE2 3.38Å; N142-E145 PolarHBondContact ND2-OE2 3.42Å; N142-E145 VanDerWaalsContact ND2-OE2 3.13Å; N142-E145 PolarHBondContact O-N 2.74Å; N142-E145 WeakPolarHBondContact OD1-CG 3.48Å; N142-E145 PolarHBondContact OD1-N 2.82Å; N142-E145 PolarHBondContact OD1-OE2 2.95Å; N142-Y146 WeakPolarHBondContact O-CB 3.47Å; N142-Y146 PolarHBondContact O-N 2.94Å; N142-E186 WeakPolarHBondContact CB-O 2.96Å; N142-I188 CarbonylContact C-O 3.6Å; N142-I188 WeakPolarHBondContact CA-O 3.48Å; N142-I188 WeakPolarHBondContact CB-O 3.27Å; N142-L189 HydrophobicContact CB-CD2 4.04Å |
| 143 | I | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.4 | -37.7 | -179.5 | -69.5 | -68.1 | 0 | 0 | 0 | 111.1 | E145 Y146 I147 Y162 P185 I188 I190 I249 | I143-E145 PolarHBondContact O-N 3.23Å; I143-Y146 WeakPolarHBondContact O-CB 3.4Å; I143-Y146 PolarHBondContact O-N 2.86Å; I143-Y146 VanDerWaalsContact O-N 3.13Å; I143-I147 HydrophobicContact CG2-CD1 4.39Å; I143-I147 HydrophobicContact CG2-CG2 4.31Å; I143-I147 WeakPolarHBondContact O-CG1 3.44Å; I143-I147 PolarHBondContact O-N 3.17Å; I143-Y162 HydrophobicContact CD1-CD2 4.08Å; I143-Y162 HydrophobicContact CD1-CE2 4.32Å; I143-Y162 HydrophobicContact CD1-CG 4.46Å; I143-P185 HydrophobicContact CB-CB 4.14Å; I143-P185 WeakPolarHBondContact CB-O 3.44Å; I143-P185 HydrophobicContact CG2-CB 3.95Å; I143-P185 PolarHBondContact N-O 2.85Å; I143-P185 VanDerWaalsContact N-O 3.09Å; I143-I188 HydrophobicContact CB-CB 4.36Å; I143-I188 HydrophobicContact CB-CG2 4.49Å; I143-I188 HydrophobicContact CD1-CG2 4.41Å; I143-I188 HydrophobicContact CG1-CB 3.81Å; I143-I188 HydrophobicContact CG1-CG2 3.45Å; I143-I188 VanDerWaalsContact CG1-CG2 3.45Å; I143-I188 PolarHBondContact N-O 2.99Å; I143-I190 HydrophobicContact CD1-CG2 3.6Å; I143-I190 HydrophobicContact CG1-CG2 4.2Å; I143-I249 HydrophobicContact CG2-CD1 3.81Å; I143-I249 HydrophobicContact CG2-CG1 3.64Å |
| 144 | Y | 95.6 | Very high | 95 | Very high | 69 Ų | 69 | 51.3 Ų | 51.3 | 27% | 0.271 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -56.6 | -52.4 | 178.1 | 174.6 | -102.9 | 0 | 0 | 0 | 111.6 | N142 Y146 I147 R148 P185 E186 | N142-Y144 VanDerWaalsContact C-N 3.28Å; N142-Y144 PolarHBondContact O-N 2.96Å; N142-Y144 VanDerWaalsContact OD1-CB 3.31Å; N142-Y144 WeakPolarHBondContact OD1-CB 3.41Å; N142-Y144 PolarHBondContact OD1-N 3.46Å; Y144-Y146 VanDerWaalsContact C-N 3.26Å; Y144-Y146 PolarHBondContact O-N 3.37Å; Y144-I147 WeakPolarHBondContact O-CG1 3.46Å; Y144-I147 PolarHBondContact O-N 3.27Å; Y144-R148 WeakPolarHBondContact O-CB 3.4Å; Y144-R148 PolarHBondContact O-N 2.79Å; Y144-R148 PolarHBondContact OH-NE 2.9Å; Y144-P185 PolarHBondContact N-O 2.99Å; Y144-E186 HydrophobicContact CD1-CG 4.4Å; Y144-E186 HydrophobicContact CG-CG 3.99Å |
| 145 | E | 95.3 | Very high | 95 | Very high | 68 Ų | 68 | 55 Ų | 55 | 32% | 0.318 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.5 | -33.8 | 176.9 | -67.1 | 162.9 | 143.6 | 0 | 0 | 112.3 | V8 M141 N142 I143 I147 | V8-E145 WeakPolarHBondContact CB-OE2 3.07Å; V8-E145 WeakPolarHBondContact CG1-OE1 3.31Å; V8-E145 WeakPolarHBondContact CG1-OE2 3.49Å; V8-E145 WeakPolarHBondContact CG2-OE2 3.43Å; M141-E145 HydrophobicContact CB-CB 4.39Å; M141-E145 WeakPolarHBondContact CB-OE2 3.29Å; N142-E145 VanDerWaalsContact CG-OE2 3.25Å; N142-E145 PolarHBondContact N-OE2 3.38Å; N142-E145 PolarHBondContact ND2-OE2 3.42Å; N142-E145 VanDerWaalsContact ND2-OE2 3.13Å; N142-E145 PolarHBondContact O-N 2.74Å; N142-E145 WeakPolarHBondContact OD1-CG 3.48Å; N142-E145 PolarHBondContact OD1-N 2.82Å; N142-E145 PolarHBondContact OD1-OE2 2.95Å; I143-E145 PolarHBondContact O-N 3.23Å; E145-I147 VanDerWaalsContact C-N 3.32Å; E145-I147 PolarHBondContact O-N 2.88Å |
| 146 | Y | 95.9 | Very high | 95 | Very high | 45 Ų | 45 | 58.6 Ų | 58.6 | 18% | 0.176 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.5 | -36.5 | 179 | -171.8 | -120.5 | 0 | 0 | 0 | 112.3 | M141 N142 I143 Y144 R150 L154 K158 Y162 I190 | M141-Y146 HydrophobicContact SD-CD2 3.64Å; M141-Y146 HydrophobicContact SD-CG 4.27Å; N142-Y146 WeakPolarHBondContact O-CB 3.47Å; N142-Y146 PolarHBondContact O-N 2.94Å; I143-Y146 WeakPolarHBondContact O-CB 3.4Å; I143-Y146 PolarHBondContact O-N 2.86Å; I143-Y146 VanDerWaalsContact O-N 3.13Å; Y144-Y146 VanDerWaalsContact C-N 3.26Å; Y144-Y146 PolarHBondContact O-N 3.37Å; Y146-R150 WeakPolarHBondContact O-CD 3.49Å; Y146-R150 WeakPolarHBondContact O-CG 3.31Å; Y146-L154 HydrophobicContact CD1-CD1 3.87Å; Y146-L154 HydrophobicContact CD1-CD2 4.23Å; Y146-L154 HydrophobicContact CE1-CD1 3.5Å; Y146-L154 HydrophobicContact CE1-CD2 3.37Å; Y146-L154 HydrophobicContact CE1-CG 4.09Å; Y146-K158 WeakPolarHBondContact OH-CE 3.43Å; Y146-K158 PolarHBondContact OH-NZ 2.89Å; Y146-Y162 HydrophobicContact CD1-CE2 4.35Å; Y146-Y162 AromaticContact CE1-CE2 3.95Å; Y146-Y162 HydrophobicContact CE1-CE2 3.95Å; Y146-I190 HydrophobicContact CD1-CD1 3.96Å; Y146-I190 HydrophobicContact CD2-CD1 3.7Å; Y146-I190 HydrophobicContact CE2-CD1 4.32Å; Y146-I190 HydrophobicContact CG-CD1 3.5Å |
| 147 | I | 96.5 | Very high | 95 | Very high | 6 Ų | 6 | 62.1 Ų | 62.1 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -93.1 | -26.5 | -179.8 | 69.2 | -177.7 | 0 | 0 | 0 | 113.5 | I143 Y144 E145 G149 R150 L154 E248 L252 | I143-I147 HydrophobicContact CG2-CD1 4.39Å; I143-I147 HydrophobicContact CG2-CG2 4.31Å; I143-I147 WeakPolarHBondContact O-CG1 3.44Å; I143-I147 PolarHBondContact O-N 3.17Å; Y144-I147 WeakPolarHBondContact O-CG1 3.46Å; Y144-I147 PolarHBondContact O-N 3.27Å; E145-I147 VanDerWaalsContact C-N 3.32Å; E145-I147 PolarHBondContact O-N 2.88Å; I147-G149 PolarHBondContact O-N 2.85Å; I147-R150 WeakPolarHBondContact O-CB 3.4Å; I147-R150 WeakPolarHBondContact O-CG 3.1Å; I147-R150 PolarHBondContact O-N 3.11Å; I147-L154 HydrophobicContact CG2-CD1 4.25Å; I147-E248 HydrophobicContact CD1-CG 3.72Å; I147-L252 HydrophobicContact CB-CD2 3.84Å; I147-L252 HydrophobicContact CG2-CD2 4.15Å |
| 148 | R | 93.7 | Very high | 95.1 | Very high | 172 Ų | 172 | 62.6 Ų | 62.6 | 65% | 0.649 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 127.9 | -176.3 | -175.7 | -176.7 | -173.8 | -150.3 | -0.8 | 111.5 | Y144 R150 | Y144-R148 WeakPolarHBondContact O-CB 3.4Å; Y144-R148 PolarHBondContact O-N 2.79Å; Y144-R148 PolarHBondContact OH-NE 2.9Å; R148-R150 PolarHBondContact O-N 3.16Å |
| 149 | G | 90.8 | Very high | 95.1 | Very high | 67 Ų | 67 | 61.9 Ų | 61.9 | 69% | 0.691 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | -0.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | I147 | I147-G149 PolarHBondContact O-N 2.85Š|
| 150 | R | 94.9 | Very high | 95.2 | Very high | 89 Ų | 89 | 63.3 Ų | 63.3 | 34% | 0.336 | 32% | 0.319 | S | S | . | . | trans | -66.7 | 138.9 | 171.6 | -66.5 | -173.1 | 69.8 | 82.9 | 1.7 | 110.2 | Y146 I147 R148 Q152 L252 | Y146-R150 WeakPolarHBondContact O-CD 3.49Å; Y146-R150 WeakPolarHBondContact O-CG 3.31Å; I147-R150 WeakPolarHBondContact O-CB 3.4Å; I147-R150 WeakPolarHBondContact O-CG 3.1Å; I147-R150 PolarHBondContact O-N 3.11Å; R148-R150 PolarHBondContact O-N 3.16Å; R150-Q152 PolarHBondContact NE-O 3.34Å; R150-Q152 VanDerWaalsContact NE-O 3.09Å; R150-Q152 PolarHBondContact NH2-O 3.2Å; R150-L252 HydrophobicContact CB-CD1 3.85Å; R150-L252 HydrophobicContact CB-CD2 4.32Å; R150-L252 WeakPolarHBondContact O-CD1 3.34Å | ||
| 151 | Q | 91.4 | Very high | 95.4 | Very high | 164 Ų | 164 | 63.3 Ų | 63.3 | 77% | 0.766 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -94.9 | -23.8 | 171.1 | -59 | -55.3 | -49.6 | 0 | 0 | 112.3 | ||
| 152 | Q | 92.3 | Very high | 95.6 | Very high | 138 Ų | 138 | 60.9 Ų | 60.9 | 65% | 0.645 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -113.4 | 130.3 | -176.5 | -66.1 | -62.4 | -30.8 | 0 | 0 | 110.3 | R150 | R150-Q152 PolarHBondContact NE-O 3.34Å; R150-Q152 VanDerWaalsContact NE-O 3.09Å; R150-Q152 PolarHBondContact NH2-O 3.2Å |
| 153 | P | 93.1 | Very high | 95.7 | Very high | 74 Ų | 74 | 60.9 Ų | 60.9 | 48% | 0.481 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 158.6 | 173.4 | -26.2 | 34.8 | 0 | 0 | 0 | 112.3 | ||
| 154 | L | 94.8 | Very high | 95.7 | Very high | 9 Ų | 9 | 61.6 Ų | 61.6 | 5% | 0.047 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -74.3 | 149.2 | 172.9 | -63.5 | 174.2 | 0 | 0 | 0 | 110.3 | Y146 I147 E156 I159 I249 | Y146-L154 HydrophobicContact CD1-CD1 3.87Å; Y146-L154 HydrophobicContact CD1-CD2 4.23Å; Y146-L154 HydrophobicContact CE1-CD1 3.5Å; Y146-L154 HydrophobicContact CE1-CD2 3.37Å; Y146-L154 HydrophobicContact CE1-CG 4.09Å; I147-L154 HydrophobicContact CG2-CD1 4.25Å; L154-E156 PolarHBondContact O-N 3.46Å; L154-I159 HydrophobicContact CB-CD1 4.09Å; L154-I159 HydrophobicContact CB-CG1 3.74Å; L154-I249 HydrophobicContact CD1-CG2 3.76Å |
| 155 | P | 95.9 | Very high | 95.9 | Very high | 78 Ų | 78 | 59 Ų | 59 | 51% | 0.506 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 136.4 | 170.8 | -24 | 33.8 | 0 | 0 | 0 | 111 | S157 K158 I159 | P155-S157 PolarHBondContact O-N 2.96Å; P155-S157 VanDerWaalsContact O-N 3.16Å; P155-K158 WeakPolarHBondContact O-CA 3.18Å; P155-K158 WeakPolarHBondContact O-CB 3.28Å; P155-K158 PolarHBondContact O-N 3.38Å; P155-I159 PolarHBondContact O-N 2.74Å; P155-I159 VanDerWaalsContact O-N 3.13Å |
| 156 | E | 95.8 | Very high | 96.1 | Very high | 77 Ų | 77 | 55.8 Ų | 55.8 | 36% | 0.36 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -55.8 | -38.1 | -176.2 | -169.9 | -174.7 | 156.9 | 0 | 0 | 112.3 | L154 K158 I159 R160 S309 Y338 | L154-E156 PolarHBondContact O-N 3.46Å; E156-K158 PolarHBondContact O-N 3.46Å; E156-I159 PolarHBondContact O-N 2.96Å; E156-R160 VanDerWaalsContact O-CB 3.29Å; E156-R160 WeakPolarHBondContact O-CB 3.5Å; E156-R160 PolarHBondContact O-N 3.38Å; E156-R160 IonicContact OE1-CZ 2.9Å; E156-R160 IonicContact OE1-NH2 3.13Å; E156-R160 PolarHBondContact OE1-NH2 3.4Å; E156-R160 IonicContact OE2-NH2 3.47Å; E156-S309 WeakPolarHBondContact OE1-CB 3.23Å; E156-S309 PolarHBondContact OE1-OG 2.97Å; E156-Y338 HydrophobicContact CG-CE2 4.49Å |
| 157 | S | 96.8 | Very high | 96.2 | Very high | 78 Ų | 78 | 53.6 Ų | 53.6 | 55% | 0.545 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57.7 | -37.4 | 175.7 | 58.2 | 0 | 0 | 0 | 0 | 112.7 | P155 H161 | P155-S157 PolarHBondContact O-N 2.96Å; P155-S157 VanDerWaalsContact O-N 3.16Å; S157-H161 WeakPolarHBondContact O-CB 3.43Å; S157-H161 PolarHBondContact O-N 2.93Å |
| 158 | K | 97.3 | Very high | 96.3 | Very high | 47 Ų | 47 | 55.8 Ų | 55.8 | 20% | 0.204 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -73.4 | -42.2 | 177.8 | -170.6 | 159.1 | -171.5 | 161.2 | 0 | 111.5 | Y146 P155 E156 H161 Y162 D193 | Y146-K158 WeakPolarHBondContact OH-CE 3.43Å; Y146-K158 PolarHBondContact OH-NZ 2.89Å; P155-K158 WeakPolarHBondContact O-CA 3.18Å; P155-K158 WeakPolarHBondContact O-CB 3.28Å; P155-K158 PolarHBondContact O-N 3.38Å; E156-K158 PolarHBondContact O-N 3.46Å; K158-H161 PolarHBondContact O-N 3.48Å; K158-Y162 HydrophobicContact CD-CE2 4.21Å; K158-Y162 VanDerWaalsContact CE-CE2 3.48Å; K158-Y162 VanDerWaalsContact CE-CZ 3.44Å; K158-Y162 WeakPolarHBondContact CE-OH 3.28Å; K158-Y162 HydrophobicContact CG-CD2 4.15Å; K158-Y162 HydrophobicContact CG-CE2 3.75Å; K158-Y162 PolarHBondContact NZ-OH 2.71Å; K158-Y162 PolarHBondContact O-N 3.13Å; K158-D193 IonicContact NZ-OD1 2.91Å; K158-D193 PolarHBondContact NZ-OD1 3.38Å |
| 159 | I | 97.8 | Very high | 96.5 | Very high | 7 Ų | 7 | 47.6 Ų | 47.6 | 4% | 0.036 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.1 | -50.7 | 173.7 | -56 | -178.6 | 0 | 0 | 0 | 109.7 | L154 P155 E156 H161 Y162 M163 F246 I249 I250 | L154-I159 HydrophobicContact CB-CD1 4.09Å; L154-I159 HydrophobicContact CB-CG1 3.74Å; P155-I159 PolarHBondContact O-N 2.74Å; P155-I159 VanDerWaalsContact O-N 3.13Å; E156-I159 PolarHBondContact O-N 2.96Å; I159-H161 VanDerWaalsContact C-N 3.27Å; I159-H161 PolarHBondContact O-N 3.36Å; I159-Y162 PolarHBondContact O-N 2.88Å; I159-M163 HydrophobicContact CG2-CG 4.11Å; I159-M163 VanDerWaalsContact O-CG 3.31Å; I159-M163 WeakPolarHBondContact O-CG 3.3Å; I159-M163 PolarHBondContact O-N 2.98Å; I159-F246 HydrophobicContact CG2-CD2 3.87Å; I159-F246 HydrophobicContact CG2-CE2 3.58Å; I159-I249 HydrophobicContact CB-CG2 4.34Å; I159-I249 HydrophobicContact CD1-CG2 4.18Å; I159-I249 HydrophobicContact CG1-CG2 3.83Å; I159-I249 HydrophobicContact CG2-CG2 3.91Å; I159-I250 HydrophobicContact CD1-CG1 3.95Å; I159-I250 HydrophobicContact CG2-CG1 4.26Å |
| 160 | R | 98.3 | Very high | 96.9 | Very high | 36 Ų | 36 | 44.4 Ų | 44.4 | 14% | 0.136 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -54.2 | -43.7 | 176.6 | -169.8 | -175 | -61.4 | 135.4 | 11.4 | 111.8 | E156 Y164 Y338 F339 E341 L342 | E156-R160 VanDerWaalsContact O-CB 3.29Å; E156-R160 WeakPolarHBondContact O-CB 3.5Å; E156-R160 PolarHBondContact O-N 3.38Å; E156-R160 IonicContact OE1-CZ 2.9Å; E156-R160 IonicContact OE1-NH2 3.13Å; E156-R160 PolarHBondContact OE1-NH2 3.4Å; E156-R160 IonicContact OE2-NH2 3.47Å; R160-Y164 VanDerWaalsContact O-CB 3.24Å; R160-Y164 WeakPolarHBondContact O-CB 3.48Å; R160-Y164 PolarHBondContact O-N 3.32Å; R160-Y338 WeakPolarHBondContact CA-OH 3.48Å; R160-Y338 HydrophobicContact CB-CE1 4Å; R160-Y338 HydrophobicContact CB-CE2 4.36Å; R160-Y338 WeakPolarHBondContact CD-O 3.34Å; R160-Y338 HydrophobicContact CG-CD1 4.2Å; R160-Y338 HydrophobicContact CG-CE1 3.83Å; R160-Y338 HydrophobicContact CG-CE2 4.24Å; R160-Y338 WeakPolarHBondContact CG-O 3.49Å; R160-Y338 PolarHBondContact N-OH 3.37Å; R160-Y338 PolarHBondContact NE-O 3.41Å; R160-F339 HydrophobicContact CG-CD1 3.89Å; R160-F339 HydrophobicContact CG-CE1 4.24Å; R160-F339 WeakPolarHBondContact O-CE1 3.39Å; R160-E341 IonicContact CZ-OE2 3.58Å; R160-E341 IonicContact NH1-OE2 3.56Å; R160-E341 PolarHBondContact NH1-OE2 3.1Å; R160-L342 HydrophobicContact CG-CD1 3.88Å |
| 161 | H | 98.3 | Very high | 97.1 | Very high | 53 Ų | 53 | 41.5 Ų | 41.5 | 25% | 0.245 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.9 | -41.7 | 179.2 | -162.1 | 67.6 | 0 | 0 | 0 | 113 | S157 K158 I159 Q165 D193 | S157-H161 WeakPolarHBondContact O-CB 3.43Å; S157-H161 PolarHBondContact O-N 2.93Å; K158-H161 PolarHBondContact O-N 3.48Å; I159-H161 VanDerWaalsContact C-N 3.27Å; I159-H161 PolarHBondContact O-N 3.36Å; H161-Q165 PolarHBondContact CD2-NE2 3.49Å; H161-Q165 PolarHBondContact NE2-NE2 3.21Å; H161-Q165 WeakPolarHBondContact O-CG 3.49Å; H161-Q165 PolarHBondContact O-N 3.41Å; H161-Q165 PolarHBondContact O-NE2 3.4Å; H161-Q165 VanDerWaalsContact O-NE2 3.16Å; H161-D193 PolarHBondContact CD2-O 3.16Å; H161-D193 VanDerWaalsContact CD2-O 3.3Å |
| 162 | Y | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69 | -45.6 | 175.7 | -71 | -33.6 | 0 | 0 | 0 | 112.2 | I143 Y146 K158 I159 Y164 Q165 L166 I190 H192 L195 | I143-Y162 HydrophobicContact CD1-CD2 4.08Å; I143-Y162 HydrophobicContact CD1-CE2 4.32Å; I143-Y162 HydrophobicContact CD1-CG 4.46Å; Y146-Y162 HydrophobicContact CD1-CE2 4.35Å; Y146-Y162 AromaticContact CE1-CE2 3.95Å; Y146-Y162 HydrophobicContact CE1-CE2 3.95Å; K158-Y162 HydrophobicContact CD-CE2 4.21Å; K158-Y162 VanDerWaalsContact CE-CE2 3.48Å; K158-Y162 VanDerWaalsContact CE-CZ 3.44Å; K158-Y162 WeakPolarHBondContact CE-OH 3.28Å; K158-Y162 HydrophobicContact CG-CD2 4.15Å; K158-Y162 HydrophobicContact CG-CE2 3.75Å; K158-Y162 PolarHBondContact NZ-OH 2.71Å; K158-Y162 PolarHBondContact O-N 3.13Å; I159-Y162 PolarHBondContact O-N 2.88Å; Y162-Y164 VanDerWaalsContact C-N 3.28Å; Y162-Y164 PolarHBondContact O-N 3.36Å; Y162-Q165 PolarHBondContact O-N 3.13Å; Y162-L166 PolarHBondContact O-N 2.89Å; Y162-I190 HydrophobicContact CD1-CG2 4.48Å; Y162-I190 HydrophobicContact CE1-CG2 3.98Å; Y162-H192 PolarHBondContact OH-O 3.15Å; Y162-H192 VanDerWaalsContact OH-O 3.05Å; Y162-L195 HydrophobicContact CD1-CB 3.88Å; Y162-L195 HydrophobicContact CD1-CD1 4.1Å; Y162-L195 HydrophobicContact CE1-CB 4.47Å; Y162-L195 HydrophobicContact CG-CD1 4.15Å; Y162-L195 WeakPolarHBondContact O-CD1 3.36Å |
| 163 | M | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.3 | -35.7 | 178.6 | -64.4 | -47.3 | -55 | 0 | 0 | 112.5 | I159 L166 C167 V242 V245 F246 I249 F339 | I159-M163 HydrophobicContact CG2-CG 4.11Å; I159-M163 VanDerWaalsContact O-CG 3.31Å; I159-M163 WeakPolarHBondContact O-CG 3.3Å; I159-M163 PolarHBondContact O-N 2.98Å; M163-L166 HydrophobicContact CE-CD2 3.98Å; M163-L166 PolarHBondContact O-N 3.45Å; M163-C167 PolarHBondContact O-N 3.02Å; M163-C167 PolarHBondContact O-SG 3.23Å; M163-V242 HydrophobicContact CE-CG1 3.37Å; M163-V245 HydrophobicContact SD-CG1 4.48Å; M163-F246 HydrophobicContact CE-CB 3.54Å; M163-F246 HydrophobicContact CE-CD1 4.36Å; M163-F246 HydrophobicContact CE-CD2 4.42Å; M163-F246 HydrophobicContact CE-CG 3.88Å; M163-F246 HydrophobicContact CG-CB 4.42Å; M163-F246 HydrophobicContact CG-CD1 4.47Å; M163-F246 HydrophobicContact CG-CD2 3.52Å; M163-F246 HydrophobicContact CG-CE2 3.84Å; M163-F246 HydrophobicContact CG-CG 3.89Å; M163-F246 HydrophobicContact CG-CZ 4.44Å; M163-F246 HydrophobicContact SD-CB 3.92Å; M163-F246 HydrophobicContact SD-CD2 4Å; M163-F246 HydrophobicContact SD-CG 4.05Å; M163-I249 HydrophobicContact SD-CD1 3.91Å; M163-F339 HydrophobicContact CB-CE1 4Å; M163-F339 HydrophobicContact CB-CZ 3.91Å |
| 164 | Y | 98.8 | Very high | 98 | Very high | 16 Ų | 16 | 26.3 Ų | 26.3 | 6% | 0.063 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.7 | -48.2 | 174.5 | -173.2 | -117.8 | 0 | 0 | 0 | 111.6 | R160 Y162 L166 C167 K168 L334 F339 L342 R343 E346 | R160-Y164 VanDerWaalsContact O-CB 3.24Å; R160-Y164 WeakPolarHBondContact O-CB 3.48Å; R160-Y164 PolarHBondContact O-N 3.32Å; Y162-Y164 VanDerWaalsContact C-N 3.28Å; Y162-Y164 PolarHBondContact O-N 3.36Å; Y164-L166 VanDerWaalsContact C-N 3.33Å; Y164-L166 PolarHBondContact O-N 3.15Å; Y164-C167 PolarHBondContact O-N 2.59Å; Y164-K168 HydrophobicContact CD1-CD 4.1Å; Y164-K168 HydrophobicContact CE1-CD 3.76Å; Y164-K168 HydrophobicContact CE1-CG 4.45Å; Y164-K168 WeakPolarHBondContact O-CG 3.36Å; Y164-K168 PolarHBondContact O-N 2.82Å; Y164-L334 HydrophobicContact CD2-CD2 3.62Å; Y164-L334 HydrophobicContact CE2-CD2 3.44Å; Y164-L334 VanDerWaalsContact CE2-CD2 3.44Å; Y164-F339 HydrophobicContact CD2-CB 3.59Å; Y164-F339 AromaticContact CD2-CD1 3.76Å; Y164-F339 HydrophobicContact CD2-CD1 3.76Å; Y164-F339 AromaticContact CD2-CD2 3.78Å; Y164-F339 HydrophobicContact CD2-CD2 3.78Å; Y164-F339 HydrophobicContact CD2-CE1 4.34Å; Y164-F339 HydrophobicContact CD2-CE2 4.37Å; Y164-F339 AromaticContact CD2-CG 3.45Å; Y164-F339 HydrophobicContact CD2-CG 3.45Å; Y164-F339 VanDerWaalsContact CD2-CG 3.45Å; Y164-F339 HydrophobicContact CE2-CB 3.88Å; Y164-F339 HydrophobicContact CE2-CD2 4.46Å; Y164-F339 HydrophobicContact CE2-CG 4.19Å; Y164-F339 HydrophobicContact CG-CD1 4.13Å; Y164-F339 HydrophobicContact CG-CG 4.27Å; Y164-L342 HydrophobicContact CD1-CB 4.1Å; Y164-L342 HydrophobicContact CD1-CD1 3.93Å; Y164-L342 HydrophobicContact CE1-CB 4.18Å; Y164-L342 HydrophobicContact CG-CB 4.37Å; Y164-L342 HydrophobicContact CG-CD1 3.78Å; Y164-R343 HydrophobicContact CE2-CG 4.08Å; Y164-E346 WeakPolarHBondContact CE1-OE1 3.35Å; Y164-E346 WeakPolarHBondContact CE1-OE2 3.41Å; Y164-E346 PolarHBondContact OH-OE2 3.45Å |
| 165 | Q | 98.8 | Very high | 98.1 | Very high | 13 Ų | 13 | 29.4 Ų | 29.4 | 6% | 0.061 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.7 | -37.3 | 176.9 | -74.8 | 179 | 87.1 | 0 | 0 | 113 | N116 H161 Y162 K168 S169 D193 L195 | N116-Q165 HydrophobicContact CB-CB 4.47Å; N116-Q165 WeakPolarHBondContact CB-O 3.49Å; N116-Q165 WeakPolarHBondContact ND2-CB 3.41Å; N116-Q165 VanDerWaalsContact ND2-CG 3.34Å; N116-Q165 WeakPolarHBondContact ND2-CG 3.37Å; N116-Q165 PolarHBondContact ND2-OE1 3.28Å; H161-Q165 PolarHBondContact CD2-NE2 3.49Å; H161-Q165 PolarHBondContact NE2-NE2 3.21Å; H161-Q165 WeakPolarHBondContact O-CG 3.49Å; H161-Q165 PolarHBondContact O-N 3.41Å; H161-Q165 PolarHBondContact O-NE2 3.4Å; H161-Q165 VanDerWaalsContact O-NE2 3.16Å; Y162-Q165 PolarHBondContact O-N 3.13Å; Q165-K168 PolarHBondContact O-N 3.39Å; Q165-S169 PolarHBondContact O-N 2.81Å; Q165-D193 PolarHBondContact NE2-O 2.97Å; Q165-L195 HydrophobicContact CB-CB 3.96Å; Q165-L195 HydrophobicContact CB-CD2 4.21Å |
| 166 | L | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.3 | -38.1 | 174.5 | -178.3 | 59.6 | 0 | 0 | 0 | 111.9 | Y162 M163 Y164 K168 S169 L170 V183 I188 L195 L197 V242 V245 | Y162-L166 PolarHBondContact O-N 2.89Å; M163-L166 HydrophobicContact CE-CD2 3.98Å; M163-L166 PolarHBondContact O-N 3.45Å; Y164-L166 VanDerWaalsContact C-N 3.33Å; Y164-L166 PolarHBondContact O-N 3.15Å; L166-K168 VanDerWaalsContact C-N 3.35Å; L166-S169 PolarHBondContact O-N 3.49Å; L166-S169 PolarHBondContact O-OG 3.11Å; L166-L170 PolarHBondContact O-N 3.17Å; L166-V183 HydrophobicContact CD1-CG1 4.47Å; L166-I188 HydrophobicContact CD1-CD1 4.15Å; L166-I188 HydrophobicContact CD1-CG1 4.18Å; L166-I188 HydrophobicContact CD2-CD1 3.76Å; L166-L195 HydrophobicContact CB-CD1 4.35Å; L166-L195 HydrophobicContact CB-CD2 4.08Å; L166-L195 HydrophobicContact CD1-CD2 4.42Å; L166-L197 HydrophobicContact CD1-CD1 4.34Å; L166-V242 HydrophobicContact CD2-CG1 4.13Å; L166-V242 HydrophobicContact CD2-CG2 4.06Å; L166-V242 HydrophobicContact CG-CG2 4.18Å; L166-V245 HydrophobicContact CD2-CG1 4.24Å |
| 167 | C | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.6 | -37.3 | 173 | -65.9 | 0 | 0 | 0 | 0 | 111.6 | M163 Y164 L170 D171 L334 | M163-C167 PolarHBondContact O-N 3.02Å; M163-C167 PolarHBondContact O-SG 3.23Å; Y164-C167 PolarHBondContact O-N 2.59Å; C167-L170 PolarHBondContact O-N 3.03Å; C167-D171 WeakPolarHBondContact O-CB 3.37Å; C167-D171 PolarHBondContact O-N 3.27Å; C167-L334 HydrophobicContact CB-CD2 3.6Å; C167-L334 HydrophobicContact CB-CG 3.93Å |
| 168 | K | 98.8 | Very high | 98.1 | Very high | 51 Ų | 51 | 21.6 Ų | 21.6 | 22% | 0.222 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.6 | -43.4 | 174.9 | -70.7 | -179.2 | 75.5 | 171.3 | 0 | 111.6 | Y164 Q165 L166 L170 D171 H172 L334 E346 | Y164-K168 HydrophobicContact CD1-CD 4.1Å; Y164-K168 HydrophobicContact CE1-CD 3.76Å; Y164-K168 HydrophobicContact CE1-CG 4.45Å; Y164-K168 WeakPolarHBondContact O-CG 3.36Å; Y164-K168 PolarHBondContact O-N 2.82Å; Q165-K168 PolarHBondContact O-N 3.39Å; L166-K168 VanDerWaalsContact C-N 3.35Å; K168-L170 VanDerWaalsContact C-N 3.35Å; K168-L170 PolarHBondContact O-N 2.91Å; K168-D171 PolarHBondContact O-N 2.94Å; K168-H172 WeakPolarHBondContact O-CB 3.06Å; K168-H172 PolarHBondContact O-N 2.66Å; K168-H172 VanDerWaalsContact O-N 3.08Å; K168-L334 HydrophobicContact CG-CD1 4.31Å; K168-L334 HydrophobicContact CG-CD2 3.63Å; K168-E346 IonicContact NZ-OE1 2.92Å; K168-E346 PolarHBondContact NZ-OE1 3.27Å |
| 169 | S | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.4 | -40.3 | 178.4 | 70.2 | 0 | 0 | 0 | 0 | 112.3 | N116 Q165 L166 M173 | N116-S169 WeakPolarHBondContact O-CB 3.26Å; Q165-S169 PolarHBondContact O-N 2.81Å; L166-S169 PolarHBondContact O-N 3.49Å; L166-S169 PolarHBondContact O-OG 3.11Å; S169-M173 WeakPolarHBondContact O-CB 3.27Å; S169-M173 PolarHBondContact O-N 3.43Å |
| 170 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -74 | -36.6 | 177.1 | -72.4 | 178.3 | 0 | 0 | 0 | 113.6 | L166 C167 K168 H172 M173 H174 H180 V183 L197 D238 M239 V242 | L166-L170 PolarHBondContact O-N 3.17Å; C167-L170 PolarHBondContact O-N 3.03Å; K168-L170 VanDerWaalsContact C-N 3.35Å; K168-L170 PolarHBondContact O-N 2.91Å; L170-H172 VanDerWaalsContact C-N 3.31Å; L170-H172 PolarHBondContact O-N 3.14Å; L170-M173 PolarHBondContact O-N 2.87Å; L170-H174 VanDerWaalsContact O-CB 3.27Å; L170-H174 WeakPolarHBondContact O-CB 3.31Å; L170-H174 PolarHBondContact O-CD2 2.91Å; L170-H174 PolarHBondContact O-N 3.3Å; L170-H180 HydrophobicContact CD2-CB 4.27Å; L170-V183 HydrophobicContact CD2-CG2 4.19Å; L170-L197 HydrophobicContact CD2-CD2 3.9Å; L170-L197 HydrophobicContact CG-CD2 4.45Å; L170-D238 HydrophobicContact CD1-CB 4.02Å; L170-D238 HydrophobicContact CD2-CB 4.08Å; L170-M239 HydrophobicContact CD1-SD 4.13Å; L170-V242 HydrophobicContact CD1-CG2 3.28Å |
| 171 | D | 98.7 | Very high | 97.8 | Very high | 28 Ų | 28 | 17.6 Ų | 17.6 | 15% | 0.15 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.3 | -43.2 | 172.8 | -179.6 | 65.2 | 0 | 0 | 0 | 111 | C167 K168 S175 S330 R331 L334 | C167-D171 WeakPolarHBondContact O-CB 3.37Å; C167-D171 PolarHBondContact O-N 3.27Å; K168-D171 PolarHBondContact O-N 2.94Å; D171-S175 VanDerWaalsContact O-CB 3.26Å; D171-S175 WeakPolarHBondContact O-CB 3.18Å; D171-S175 PolarHBondContact O-N 3.21Å; D171-S175 PolarHBondContact O-OG 3.13Å; D171-S330 VanDerWaalsContact CA-OG 3.32Å; D171-S330 WeakPolarHBondContact CA-OG 3.47Å; D171-S330 PolarHBondContact N-OG 2.94Å; D171-R331 VanDerWaalsContact OD1-CB 3.29Å; D171-R331 WeakPolarHBondContact OD1-CB 3.38Å; D171-R331 IonicContact OD1-CZ 2.86Å; D171-R331 IonicContact OD1-NE 3.01Å; D171-R331 PolarHBondContact OD1-NE 2.99Å; D171-R331 IonicContact OD1-NH2 3.46Å; D171-R331 PolarHBondContact OD1-NH2 2.85Å; D171-R331 VanDerWaalsContact OD1-NH2 3.13Å; D171-R331 IonicContact OD2-CZ 2.69Å; D171-R331 IonicContact OD2-NE 3.99Å; D171-R331 IonicContact OD2-NH2 3.68Å; D171-R331 PolarHBondContact OD2-NH2 3.3Å; D171-L334 HydrophobicContact CB-CD1 3.79Å |
| 172 | H | 98.6 | Very high | 97.7 | Very high | 40 Ų | 40 | 15.6 Ų | 15.6 | 19% | 0.185 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.7 | -44.1 | 173.4 | -177.5 | 69.2 | 0 | 0 | 0 | 112.3 | L111 H114 K168 L170 S175 N176 | L111-H172 PolarHBondContact O-NE2 2.7Å; H114-H172 AromaticContact CD2-CD2 3.88Å; H114-H172 AromaticContact CD2-CG 3.5Å; H114-H172 VanDerWaalsContact CD2-CG 3.5Å; H114-H172 AromaticContact CD2-ND1 3.77Å; H114-H172 AromaticContact CG-CD2 3.76Å; H114-H172 AromaticContact CG-CG 3.85Å; K168-H172 WeakPolarHBondContact O-CB 3.06Å; K168-H172 PolarHBondContact O-N 2.66Å; K168-H172 VanDerWaalsContact O-N 3.08Å; L170-H172 VanDerWaalsContact C-N 3.31Å; L170-H172 PolarHBondContact O-N 3.14Å; H172-S175 WeakPolarHBondContact CA-OG 3.4Å; H172-S175 PolarHBondContact O-OG 2.76Å; H172-N176 PolarHBondContact CE1-ND2 3.34Å; H172-N176 WeakPolarHBondContact O-CB 3.37Å; H172-N176 PolarHBondContact O-N 3.03Å; H172-N176 PolarHBondContact O-ND2 2.95Å |
| 173 | M | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -66.3 | -47.5 | -179.6 | -166.7 | 168.1 | -179.7 | 0 | 0 | 112.4 | L111 S169 L170 N176 G177 I178 H180 L197 F200 C203 | L111-M173 HydrophobicContact CD1-CE 4.19Å; L111-M173 HydrophobicContact CD1-CG 3.87Å; L111-M173 HydrophobicContact CD1-SD 4.14Å; L111-M173 HydrophobicContact CD2-CB 4.21Å; L111-M173 HydrophobicContact CD2-CG 4.09Å; S169-M173 WeakPolarHBondContact O-CB 3.27Å; S169-M173 PolarHBondContact O-N 3.43Å; L170-M173 PolarHBondContact O-N 2.87Å; M173-N176 CarbonylContact O-C 3.56Å; M173-N176 PolarHBondContact O-N 3.45Å; M173-G177 PolarHBondContact O-N 3.19Å; M173-I178 CarbonylContact C-O 3.37Å; M173-I178 HydrophobicContact CE-CB 4.19Å; M173-I178 HydrophobicContact CE-CG2 3.4Å; M173-I178 HydrophobicContact CG-CB 3.93Å; M173-I178 HydrophobicContact CG-CG2 4.21Å; M173-I178 WeakPolarHBondContact CG-O 3.35Å; M173-I178 PolarHBondContact O-N 3.43Å; M173-H180 VanDerWaalsContact CE-CA 3.47Å; M173-H180 HydrophobicContact CE-CB 3.81Å; M173-H180 HydrophobicContact SD-CB 3.81Å; M173-L197 HydrophobicContact SD-CD2 4.48Å; M173-F200 HydrophobicContact CE-CD1 3.84Å; M173-F200 HydrophobicContact CE-CE1 4.25Å; M173-F200 HydrophobicContact SD-CD1 4.41Å; M173-F200 HydrophobicContact SD-CE1 4.23Å; M173-C203 HydrophobicContact CE-CB 3.79Å |
| 174 | H | 98.1 | Very high | 97.6 | Very high | 17 Ų | 17 | 16.5 Ų | 16.5 | 8% | 0.079 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -66.4 | -41.5 | -179.1 | -63.9 | 171.2 | 0 | 0 | 0 | 111.6 | L170 N176 G177 I178 H235 D238 S330 | L170-H174 VanDerWaalsContact O-CB 3.27Å; L170-H174 WeakPolarHBondContact O-CB 3.31Å; L170-H174 PolarHBondContact O-CD2 2.91Å; L170-H174 PolarHBondContact O-N 3.3Å; H174-N176 PolarHBondContact O-N 2.8Å; H174-G177 PolarHBondContact O-N 3.18Å; H174-I178 WeakPolarHBondContact CA-O 3.38Å; H174-I178 PolarHBondContact CD2-O 3.21Å; H174-I178 PolarHBondContact N-O 3.18Å; H174-H235 AromaticContact CE1-CD2 3.92Å; H174-H235 AromaticContact CG-CD2 3.93Å; H174-H235 AromaticContact ND1-CD2 3.53Å; H174-D238 IonicContact CD2-OD2 3.86Å; H174-D238 IonicContact CE1-OD2 2.75Å; H174-D238 IonicContact NE2-OD2 3.54Å; H174-D238 PolarHBondContact NE2-OD2 2.91Å; H174-S330 PolarHBondContact ND1-OG 3.16Å |
| 175 | S | 97.4 | Very high | 97.5 | Very high | 75 Ų | 75 | 15.7 Ų | 15.7 | 52% | 0.524 | 9% | 0.085 | S | C | . | . | H | α-helix | trans | -65.2 | -26.5 | 174.6 | 57.9 | 0 | 0 | 0 | 0 | 113.2 | D171 H172 G177 | D171-S175 VanDerWaalsContact O-CB 3.26Å; D171-S175 WeakPolarHBondContact O-CB 3.18Å; D171-S175 PolarHBondContact O-N 3.21Å; D171-S175 PolarHBondContact O-OG 3.13Å; H172-S175 WeakPolarHBondContact CA-OG 3.4Å; H172-S175 PolarHBondContact O-OG 2.76Å; S175-G177 PolarHBondContact O-N 2.82Å |
| 176 | N | 97.1 | Very high | 97.3 | Very high | 47 Ų | 47 | 15.8 Ų | 15.8 | 25% | 0.251 | 9% | 0.085 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 10.4 | 171.4 | -82.6 | -82.8 | 0 | 0 | 0 | 113.6 | K110 L111 H172 M173 H174 I178 | K110-N176 VanDerWaalsContact CE-O 3.3Å; K110-N176 WeakPolarHBondContact CE-O 3.43Å; K110-N176 PolarHBondContact NZ-O 3.27Å; L111-N176 HydrophobicContact CD2-CB 3.89Å; H172-N176 PolarHBondContact CE1-ND2 3.34Å; H172-N176 WeakPolarHBondContact O-CB 3.37Å; H172-N176 PolarHBondContact O-N 3.03Å; H172-N176 PolarHBondContact O-ND2 2.95Å; M173-N176 CarbonylContact O-C 3.56Å; M173-N176 PolarHBondContact O-N 3.45Å; H174-N176 PolarHBondContact O-N 2.8Å; N176-I178 VanDerWaalsContact C-N 3.32Å; N176-I178 PolarHBondContact O-N 2.96Å |
| 177 | G | 95.7 | Very high | 97.2 | Very high | 7 Ų | 7 | 16 Ų | 16 | 7% | 0.072 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | 25.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | M173 H174 S175 S205 L206 | M173-G177 PolarHBondContact O-N 3.19Å; H174-G177 PolarHBondContact O-N 3.18Å; S175-G177 PolarHBondContact O-N 2.82Å; G177-S205 CarbonylContact O-C 3.56Å; G177-S205 WeakPolarHBondContact O-CA 3.37Å; G177-L206 PolarHBondContact O-N 2.95Å |
| 178 | I | 95.9 | Very high | 97.2 | Very high | 14 Ų | 14 | 16 Ų | 16 | 7% | 0.072 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 144.9 | 177.9 | -49.8 | -177.9 | 0 | 0 | 0 | 108.9 | A107 K110 L111 M173 H174 N176 C203 R204 | A107-I178 HydrophobicContact CB-CD1 4.17Å; K110-I178 HydrophobicContact CB-CD1 4.47Å; K110-I178 HydrophobicContact CD-CD1 4.1Å; L111-I178 HydrophobicContact CD1-CD1 4.35Å; L111-I178 HydrophobicContact CD2-CD1 4.2Å; L111-I178 HydrophobicContact CG-CD1 4.14Å; M173-I178 CarbonylContact C-O 3.37Å; M173-I178 HydrophobicContact CE-CB 4.19Å; M173-I178 HydrophobicContact CE-CG2 3.4Å; M173-I178 HydrophobicContact CG-CB 3.93Å; M173-I178 HydrophobicContact CG-CG2 4.21Å; M173-I178 WeakPolarHBondContact CG-O 3.35Å; M173-I178 PolarHBondContact O-N 3.43Å; H174-I178 WeakPolarHBondContact CA-O 3.38Å; H174-I178 PolarHBondContact CD2-O 3.21Å; H174-I178 PolarHBondContact N-O 3.18Å; N176-I178 VanDerWaalsContact C-N 3.32Å; N176-I178 PolarHBondContact O-N 2.96Å; I178-C203 HydrophobicContact CG2-CB 3.79Å; I178-R204 WeakPolarHBondContact CA-O 3.45Å; I178-R204 WeakPolarHBondContact CG2-O 3.18Å |
| 179 | F | 94.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 144.9 | 168.9 | 66.9 | -60 | 0 | 0 | 0 | 110.9 | R181 C203 R204 L206 Y212 Y233 H235 M237 D238 | F179-R181 HydrophobicContact CD2-CG 3.63Å; F179-R181 HydrophobicContact CE2-CG 3.69Å; F179-R181 HydrophobicContact CG-CG 4.27Å; F179-R181 HydrophobicContact CZ-CG 4.35Å; F179-C203 VanDerWaalsContact O-CA 3.31Å; F179-C203 WeakPolarHBondContact O-CA 3.13Å; F179-C203 WeakPolarHBondContact O-CB 3.34Å; F179-R204 HydrophobicContact CD1-CB 4.03Å; F179-R204 WeakPolarHBondContact CD1-O 3.47Å; F179-R204 HydrophobicContact CE1-CB 3.38Å; F179-R204 HydrophobicContact CZ-CB 3.88Å; F179-R204 PolarHBondContact N-O 2.77Å; F179-R204 PolarHBondContact O-N 3.16Å; F179-R204 VanDerWaalsContact O-N 3.12Å; F179-L206 HydrophobicContact CB-CD2 4.26Å; F179-L206 HydrophobicContact CD1-CD2 3.59Å; F179-L206 HydrophobicContact CD1-CG 4.02Å; F179-L206 HydrophobicContact CE1-CD2 4.05Å; F179-L206 HydrophobicContact CG-CD2 3.98Å; F179-Y212 HydrophobicContact CZ-CD2 4.16Å; F179-Y212 HydrophobicContact CZ-CE1 4.38Å; F179-Y212 AromaticContact CZ-CE2 3.79Å; F179-Y212 HydrophobicContact CZ-CE2 3.79Å; F179-Y212 AromaticContact CZ-CZ 3.88Å; F179-Y233 AromaticContact CE2-CD2 3.93Å; F179-Y233 HydrophobicContact CE2-CD2 3.93Å; F179-Y233 AromaticContact CE2-CE2 3.8Å; F179-Y233 HydrophobicContact CE2-CE2 3.8Å; F179-Y233 HydrophobicContact CZ-CE2 4.28Å; F179-H235 HydrophobicContact CB-CB 3.61Å; F179-H235 HydrophobicContact CD2-CB 4.46Å; F179-H235 HydrophobicContact CG-CB 4.19Å; F179-M237 HydrophobicContact CD2-CG 4.31Å; F179-M237 HydrophobicContact CD2-SD 4.43Å; F179-M237 HydrophobicContact CE2-SD 4.36Å; F179-D238 WeakPolarHBondContact CB-OD2 3.33Å |
| 180 | H | 96.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.078 | C | C | . | . | trans | -78.7 | -45.7 | -159.3 | -172 | -86.7 | 0 | 0 | 0 | 112.8 | L170 M173 D182 V183 G198 D199 F200 S202 D238 | L170-H180 HydrophobicContact CD2-CB 4.27Å; M173-H180 VanDerWaalsContact CE-CA 3.47Å; M173-H180 HydrophobicContact CE-CB 3.81Å; M173-H180 HydrophobicContact SD-CB 3.81Å; H180-D182 VanDerWaalsContact CE1-C 3.45Å; H180-D182 PolarHBondContact CE1-O 2.97Å; H180-D182 VanDerWaalsContact CE1-O 3.23Å; H180-D182 PolarHBondContact ND1-N 2.97Å; H180-D182 PolarHBondContact ND1-O 2.76Å; H180-D182 PolarHBondContact O-N 2.83Å; H180-D182 VanDerWaalsContact O-N 3.12Å; H180-V183 HydrophobicContact CB-CG2 3.8Å; H180-V183 PolarHBondContact ND1-N 3.39Å; H180-G198 PolarHBondContact NE2-O 3.37Å; H180-G198 VanDerWaalsContact NE2-O 3.14Å; H180-D199 PolarHBondContact CE1-O 3.46Å; H180-D199 PolarHBondContact NE2-O 3Å; H180-F200 AromaticContact CD2-CD1 3.82Å; H180-F200 AromaticContact CD2-CE1 3.9Å; H180-S202 CarbonylContact O-C 3.59Å; H180-D238 PolarHBondContact N-OD1 3.45Å; H180-D238 PolarHBondContact N-OD2 3.04Å | ||
| 181 | R | 95.6 | Very high | 96.9 | Very high | 6 Ų | 6 | 17.4 Ų | 17.4 | 2% | 0.023 | 9% | 0.093 | C | C | . | . | S | Bend | trans | 67 | -3.8 | 178.2 | -52.2 | -162.9 | -55.7 | 154.9 | 6.3 | 116.9 | F179 S202 R204 I216 S217 Y233 M237 D238 | F179-R181 HydrophobicContact CD2-CG 3.63Å; F179-R181 HydrophobicContact CE2-CG 3.69Å; F179-R181 HydrophobicContact CG-CG 4.27Å; F179-R181 HydrophobicContact CZ-CG 4.35Å; R181-S202 PolarHBondContact NE-O 3.3Å; R181-S202 PolarHBondContact NH2-O 2.92Å; R181-R204 VanDerWaalsContact NE-CG 3.27Å; R181-I216 HydrophobicContact CB-CD1 3.85Å; R181-I216 HydrophobicContact CG-CD1 4.34Å; R181-S217 WeakPolarHBondContact O-CB 3.1Å; R181-Y233 PolarHBondContact NH1-OH 2.84Å; R181-M237 HydrophobicContact CB-CE 4.29Å; R181-M237 HydrophobicContact CB-SD 4.05Å; R181-M237 HydrophobicContact CG-SD 3.8Å; R181-D238 PolarHBondContact N-OD1 3.06Å |
| 182 | D | 95.1 | Very high | 96.6 | Very high | 11 Ų | 11 | 21.4 Ų | 21.4 | 6% | 0.059 | 11% | 0.111 | C | C | . | . | trans | -137.6 | 41.1 | 175.9 | -165.8 | 24.7 | 0 | 0 | 0 | 112.5 | H180 K184 N187 S217 | H180-D182 VanDerWaalsContact CE1-C 3.45Å; H180-D182 PolarHBondContact CE1-O 2.97Å; H180-D182 VanDerWaalsContact CE1-O 3.23Å; H180-D182 PolarHBondContact ND1-N 2.97Å; H180-D182 PolarHBondContact ND1-O 2.76Å; H180-D182 PolarHBondContact O-N 2.83Å; H180-D182 VanDerWaalsContact O-N 3.12Å; D182-K184 VanDerWaalsContact CG-NZ 3.27Å; D182-K184 PolarHBondContact O-N 3.16Å; D182-K184 WeakPolarHBondContact OD1-CE 3.46Å; D182-K184 IonicContact OD1-NZ 3.8Å; D182-K184 PolarHBondContact OD1-NZ 3.42Å; D182-K184 IonicContact OD2-NZ 2.82Å; D182-K184 PolarHBondContact OD2-NZ 3.18Å; D182-N187 VanDerWaalsContact CG-ND2 3.3Å; D182-N187 PolarHBondContact O-ND2 3.5Å; D182-N187 PolarHBondContact OD2-ND2 3.49Å; D182-S217 WeakPolarHBondContact OD1-CA 3.14Å; D182-S217 VanDerWaalsContact OD1-CB 3.3Å; D182-S217 WeakPolarHBondContact OD1-CB 3.49Å; D182-S217 PolarHBondContact OD1-OG 3.48Å | ||
| 183 | V | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -71.3 | 120.4 | 176.4 | 179 | 0 | 0 | 0 | 0 | 108.8 | L166 L170 H180 I188 D238 S241 V242 V245 | L166-V183 HydrophobicContact CD1-CG1 4.47Å; L170-V183 HydrophobicContact CD2-CG2 4.19Å; H180-V183 HydrophobicContact CB-CG2 3.8Å; H180-V183 PolarHBondContact ND1-N 3.39Å; V183-I188 HydrophobicContact CG1-CD1 4.29Å; V183-D238 HydrophobicContact CG2-CB 4.28Å; V183-S241 WeakPolarHBondContact O-CB 3.17Å; V183-V242 HydrophobicContact CG1-CG2 4.22Å; V183-V245 HydrophobicContact CG1-CG2 4.46Å | ||
| 184 | K | 97.4 | Very high | 96.4 | Very high | 20 Ų | 20 | 25.5 Ų | 25.5 | 9% | 0.087 | 14% | 0.136 | C | C | . | . | trans | -160.4 | 159.5 | 179 | 62 | -175.4 | 179.1 | -140.6 | 0 | 110.4 | D182 E186 N187 I188 T218 Y221 | D182-K184 VanDerWaalsContact CG-NZ 3.27Å; D182-K184 PolarHBondContact O-N 3.16Å; D182-K184 WeakPolarHBondContact OD1-CE 3.46Å; D182-K184 IonicContact OD1-NZ 3.8Å; D182-K184 PolarHBondContact OD1-NZ 3.42Å; D182-K184 IonicContact OD2-NZ 2.82Å; D182-K184 PolarHBondContact OD2-NZ 3.18Å; K184-E186 WeakPolarHBondContact CB-OE2 3.23Å; K184-E186 WeakPolarHBondContact CD-OE2 3.37Å; K184-E186 HydrophobicContact CG-CB 4.31Å; K184-E186 VanDerWaalsContact CG-OE2 3.22Å; K184-E186 WeakPolarHBondContact CG-OE2 3.39Å; K184-E186 PolarHBondContact O-N 3.33Å; K184-N187 HydrophobicContact CG-CB 4.19Å; K184-N187 PolarHBondContact O-N 2.9Å; K184-I188 WeakPolarHBondContact O-CD1 3.15Å; K184-I188 WeakPolarHBondContact O-CG1 3.28Å; K184-I188 PolarHBondContact O-N 3.38Å; K184-T218 PolarHBondContact NZ-OG1 3.38Å; K184-Y221 HydrophobicContact CB-CD1 4.37Å; K184-Y221 HydrophobicContact CB-CD2 3.54Å; K184-Y221 HydrophobicContact CB-CE1 4.41Å; K184-Y221 HydrophobicContact CB-CE2 3.56Å; K184-Y221 HydrophobicContact CB-CG 3.97Å; K184-Y221 HydrophobicContact CD-CE2 4.45Å | ||
| 185 | P | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -50.7 | -35 | -177.7 | -31 | 40.2 | 0 | 0 | 0 | 114 | I143 Y144 N187 I188 Y221 V245 | I143-P185 HydrophobicContact CB-CB 4.14Å; I143-P185 WeakPolarHBondContact CB-O 3.44Å; I143-P185 HydrophobicContact CG2-CB 3.95Å; I143-P185 PolarHBondContact N-O 2.85Å; I143-P185 VanDerWaalsContact N-O 3.09Å; Y144-P185 PolarHBondContact N-O 2.99Å; P185-N187 VanDerWaalsContact C-N 3.34Å; P185-N187 PolarHBondContact O-N 3.15Å; P185-I188 PolarHBondContact O-N 2.97Å; P185-Y221 WeakPolarHBondContact CD-OH 3.36Å; P185-Y221 HydrophobicContact CG-CE1 3.98Å; P185-Y221 WeakPolarHBondContact CG-OH 3.44Å; P185-V245 HydrophobicContact CG-CG2 4.13Å |
| 186 | E | 94.8 | Very high | 96.4 | Very high | 14 Ų | 14 | 22.1 Ų | 22.1 | 7% | 0.065 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | -67.7 | -33.4 | -179.8 | -56.2 | 96.9 | 136.9 | 0 | 0 | 111.6 | N5 N142 Y144 K184 I188 | N5-E186 HydrophobicContact CB-CB 3.55Å; N5-E186 WeakPolarHBondContact CB-O 3.17Å; N5-E186 WeakPolarHBondContact ND2-CA 3.4Å; N5-E186 WeakPolarHBondContact ND2-CB 3.14Å; N5-E186 PolarHBondContact ND2-O 3.36Å; N142-E186 WeakPolarHBondContact CB-O 2.96Å; Y144-E186 HydrophobicContact CD1-CG 4.4Å; Y144-E186 HydrophobicContact CG-CG 3.99Å; K184-E186 WeakPolarHBondContact CB-OE2 3.23Å; K184-E186 WeakPolarHBondContact CD-OE2 3.37Å; K184-E186 HydrophobicContact CG-CB 4.31Å; K184-E186 VanDerWaalsContact CG-OE2 3.22Å; K184-E186 WeakPolarHBondContact CG-OE2 3.39Å; K184-E186 PolarHBondContact O-N 3.33Å; E186-I188 VanDerWaalsContact C-N 3.32Å |
| 187 | N | 96.4 | Very high | 96.5 | Very high | 5 Ų | 5 | 19.9 Ų | 19.9 | 3% | 0.027 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -88.3 | -1.3 | -177.4 | -81.8 | -22.3 | 0 | 0 | 0 | 112.8 | N5 D182 K184 P185 G198 D199 | N5-N187 VanDerWaalsContact ND2-CG 3.34Å; N5-N187 PolarHBondContact ND2-N 3.23Å; N5-N187 PolarHBondContact ND2-OD1 3.05Å; D182-N187 VanDerWaalsContact CG-ND2 3.3Å; D182-N187 PolarHBondContact O-ND2 3.5Å; D182-N187 PolarHBondContact OD2-ND2 3.49Å; K184-N187 HydrophobicContact CG-CB 4.19Å; K184-N187 PolarHBondContact O-N 2.9Å; P185-N187 VanDerWaalsContact C-N 3.34Å; P185-N187 PolarHBondContact O-N 3.15Å; N187-G198 PolarHBondContact O-N 3.32Å; N187-D199 WeakPolarHBondContact OD1-CB 3.4Å |
| 188 | I | 98.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 110.1 | -178.2 | -61 | 163.2 | 0 | 0 | 0 | 107.9 | N142 I143 L166 V183 K184 P185 E186 L195 L197 V245 | N142-I188 CarbonylContact C-O 3.6Å; N142-I188 WeakPolarHBondContact CA-O 3.48Å; N142-I188 WeakPolarHBondContact CB-O 3.27Å; I143-I188 HydrophobicContact CB-CB 4.36Å; I143-I188 HydrophobicContact CB-CG2 4.49Å; I143-I188 HydrophobicContact CD1-CG2 4.41Å; I143-I188 HydrophobicContact CG1-CB 3.81Å; I143-I188 HydrophobicContact CG1-CG2 3.45Å; I143-I188 VanDerWaalsContact CG1-CG2 3.45Å; I143-I188 PolarHBondContact N-O 2.99Å; L166-I188 HydrophobicContact CD1-CD1 4.15Å; L166-I188 HydrophobicContact CD1-CG1 4.18Å; L166-I188 HydrophobicContact CD2-CD1 3.76Å; V183-I188 HydrophobicContact CG1-CD1 4.29Å; K184-I188 WeakPolarHBondContact O-CD1 3.15Å; K184-I188 WeakPolarHBondContact O-CG1 3.28Å; K184-I188 PolarHBondContact O-N 3.38Å; P185-I188 PolarHBondContact O-N 2.97Å; E186-I188 VanDerWaalsContact C-N 3.32Å; I188-L195 HydrophobicContact CG2-CD1 3.29Å; I188-L195 HydrophobicContact CG2-CD2 3.83Å; I188-L195 HydrophobicContact CG2-CG 3.43Å; I188-L195 VanDerWaalsContact CG2-CG 3.43Å; I188-L197 HydrophobicContact CG1-CD1 4.14Å; I188-V245 HydrophobicContact CD1-CB 4.44Å; I188-V245 HydrophobicContact CD1-CG1 3.72Å; I188-V245 HydrophobicContact CD1-CG2 3.95Å |
| 189 | L | 98.1 | Very high | 96.3 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 144.9 | -171 | -49.7 | 169.8 | 0 | 0 | 0 | 110.5 | L7 I118 M139 M141 N142 L195 K196 | L7-L189 HydrophobicContact CB-CD1 3.98Å; L7-L189 HydrophobicContact CB-CD2 3.65Å; L7-L189 HydrophobicContact CB-CG 4.46Å; L7-L189 HydrophobicContact CD1-CD1 3.45Å; L7-L189 VanDerWaalsContact CD1-CD1 3.45Å; L7-L189 HydrophobicContact CD1-CD2 4.14Å; L7-L189 HydrophobicContact CD1-CG 4.36Å; L7-L189 HydrophobicContact CG-CD1 4.26Å; I118-L189 HydrophobicContact CB-CD1 4.48Å; I118-L189 HydrophobicContact CD1-CD1 3.86Å; I118-L189 HydrophobicContact CG1-CD1 4.26Å; M139-L189 HydrophobicContact CB-CB 3.88Å; M139-L189 HydrophobicContact CB-CD1 4.48Å; M139-L189 HydrophobicContact CE-CB 4Å; M139-L189 HydrophobicContact CG-CB 3.7Å; M139-L189 HydrophobicContact CG-CD1 3.93Å; M139-L189 HydrophobicContact CG-CG 4.42Å; M141-L189 CarbonylContact O-C 3.54Å; N142-L189 HydrophobicContact CB-CD2 4.04Å; L189-L195 CarbonylContact O-C 3.5Å; L189-L195 VanDerWaalsContact O-CA 3.32Å; L189-L195 WeakPolarHBondContact O-CA 3.18Å; L189-K196 WeakPolarHBondContact CB-O 3.39Å; L189-K196 PolarHBondContact N-O 2.92Å; L189-K196 PolarHBondContact O-N 2.81Å |
| 190 | I | 97.5 | Very high | 96.3 | Very high | 5 Ų | 5 | 20.7 Ų | 20.7 | 3% | 0.026 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 144.7 | 179.9 | 64.5 | 171.1 | 0 | 0 | 0 | 112 | E140 M141 I143 Y146 Y162 V194 L195 | E140-I190 WeakPolarHBondContact CB-O 3.18Å; E140-I190 PolarHBondContact N-O 2.91Å; M141-I190 HydrophobicContact CG-CD1 3.56Å; M141-I190 HydrophobicContact CG-CG1 3.43Å; M141-I190 VanDerWaalsContact CG-CG1 3.43Å; M141-I190 PolarHBondContact N-O 3.13Å; M141-I190 WeakPolarHBondContact O-CG1 3.23Å; M141-I190 PolarHBondContact O-N 3.38Å; M141-I190 HydrophobicContact SD-CD1 4.11Å; I143-I190 HydrophobicContact CD1-CG2 3.6Å; I143-I190 HydrophobicContact CG1-CG2 4.2Å; Y146-I190 HydrophobicContact CD1-CD1 3.96Å; Y146-I190 HydrophobicContact CD2-CD1 3.7Å; Y146-I190 HydrophobicContact CE2-CD1 4.32Å; Y146-I190 HydrophobicContact CG-CD1 3.5Å; Y162-I190 HydrophobicContact CD1-CG2 4.48Å; Y162-I190 HydrophobicContact CE1-CG2 3.98Å; I190-V194 WeakPolarHBondContact CA-O 3.43Å; I190-L195 HydrophobicContact CG2-CB 4.49Å |
| 191 | K | 95.4 | Very high | 96 | Very high | 74 Ų | 74 | 21.9 Ų | 21.9 | 32% | 0.322 | 12% | 0.116 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 109.3 | 172.3 | 177.4 | 168.4 | -170 | 173.6 | 0 | 107.4 | L138 M139 E140 D193 V194 | L138-K191 WeakPolarHBondContact O-CD 3.46Å; L138-K191 PolarHBondContact O-NZ 2.72Å; M139-K191 HydrophobicContact CE-CB 3.62Å; M139-K191 HydrophobicContact SD-CB 3.96Å; M139-K191 HydrophobicContact SD-CD 4.26Å; E140-K191 HydrophobicContact CG-CB 4.36Å; E140-K191 HydrophobicContact CG-CG 4.11Å; K191-D193 PolarHBondContact O-N 3.06Å; K191-V194 PolarHBondContact N-O 3.45Å; K191-V194 PolarHBondContact O-N 3.44Å; K191-V194 VanDerWaalsContact O-N 3.11Å |
| 192 | H | 92.1 | Very high | 95.8 | Very high | 112 Ų | 112 | 23.1 Ų | 23.1 | 52% | 0.519 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | -121.4 | -164.3 | -48.6 | 88.6 | 0 | 0 | 0 | 111.4 | E140 Y162 | E140-H192 PolarHBondContact OE2-N 3.34Å; Y162-H192 PolarHBondContact OH-O 3.15Å; Y162-H192 VanDerWaalsContact OH-O 3.05Å |
| 193 | D | 93.4 | Very high | 95.7 | Very high | 63 Ų | 63 | 22.9 Ų | 22.9 | 34% | 0.337 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | 6.6 | 177.8 | -64.9 | -39.7 | 0 | 0 | 0 | 113.2 | K158 H161 Q165 K191 | K158-D193 IonicContact NZ-OD1 2.91Å; K158-D193 PolarHBondContact NZ-OD1 3.38Å; H161-D193 PolarHBondContact CD2-O 3.16Å; H161-D193 VanDerWaalsContact CD2-O 3.3Å; Q165-D193 PolarHBondContact NE2-O 2.97Å; K191-D193 PolarHBondContact O-N 3.06Å |
| 194 | V | 97.4 | Very high | 95.4 | Very high | 63 Ų | 63 | 26.4 Ų | 26.4 | 38% | 0.382 | 14% | 0.137 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 128.4 | 176.4 | -179.9 | 0 | 0 | 0 | 0 | 110 | I190 K191 K196 | I190-V194 WeakPolarHBondContact CA-O 3.43Å; K191-V194 PolarHBondContact N-O 3.45Å; K191-V194 PolarHBondContact O-N 3.44Å; K191-V194 VanDerWaalsContact O-N 3.11Å; V194-K196 HydrophobicContact CG1-CG 4.35Å |
| 195 | L | 98.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 134.2 | 173.1 | 176.9 | 157 | 0 | 0 | 0 | 110.2 | N116 Y162 Q165 L166 I188 L189 I190 | N116-L195 VanDerWaalsContact CA-O 3.3Å; N116-L195 WeakPolarHBondContact CA-O 3.31Å; N116-L195 WeakPolarHBondContact CB-O 3.29Å; N116-L195 PolarHBondContact ND2-O 3.12Å; Y162-L195 HydrophobicContact CD1-CB 3.88Å; Y162-L195 HydrophobicContact CD1-CD1 4.1Å; Y162-L195 HydrophobicContact CE1-CB 4.47Å; Y162-L195 HydrophobicContact CG-CD1 4.15Å; Y162-L195 WeakPolarHBondContact O-CD1 3.36Å; Q165-L195 HydrophobicContact CB-CB 3.96Å; Q165-L195 HydrophobicContact CB-CD2 4.21Å; L166-L195 HydrophobicContact CB-CD1 4.35Å; L166-L195 HydrophobicContact CB-CD2 4.08Å; L166-L195 HydrophobicContact CD1-CD2 4.42Å; I188-L195 HydrophobicContact CG2-CD1 3.29Å; I188-L195 HydrophobicContact CG2-CD2 3.83Å; I188-L195 HydrophobicContact CG2-CG 3.43Å; I188-L195 VanDerWaalsContact CG2-CG 3.43Å; L189-L195 CarbonylContact O-C 3.5Å; L189-L195 VanDerWaalsContact O-CA 3.32Å; L189-L195 WeakPolarHBondContact O-CA 3.18Å; I190-L195 HydrophobicContact CG2-CB 4.49Å |
| 196 | K | 98.5 | Very high | 94.6 | Very high | 18 Ų | 18 | 30.4 Ų | 30.4 | 8% | 0.078 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 129.7 | 173.2 | -72.4 | 171.7 | 170.1 | -95.8 | 0 | 110.7 | P115 N116 I117 E137 M139 L189 V194 | P115-K196 WeakPolarHBondContact O-CE 3.4Å; P115-K196 VanDerWaalsContact O-CG 3.31Å; P115-K196 WeakPolarHBondContact O-CG 3.47Å; P115-K196 PolarHBondContact O-NZ 3Å; N116-K196 WeakPolarHBondContact O-CA 3.38Å; I117-K196 PolarHBondContact O-NZ 3.03Å; E137-K196 VanDerWaalsContact CD-CE 3.49Å; E137-K196 WeakPolarHBondContact OE1-CD 3.49Å; E137-K196 WeakPolarHBondContact OE1-CE 3.46Å; E137-K196 IonicContact OE1-NZ 3.54Å; E137-K196 PolarHBondContact OE1-NZ 3.23Å; E137-K196 WeakPolarHBondContact OE2-CD 3.46Å; E137-K196 WeakPolarHBondContact OE2-CE 3.36Å; E137-K196 IonicContact OE2-NZ 2.72Å; M139-K196 HydrophobicContact CE-CB 4.06Å; M139-K196 HydrophobicContact CE-CD 3.98Å; M139-K196 HydrophobicContact CE-CG 4.22Å; M139-K196 HydrophobicContact SD-CD 3.94Å; L189-K196 WeakPolarHBondContact CB-O 3.39Å; L189-K196 PolarHBondContact N-O 2.92Å; L189-K196 PolarHBondContact O-N 2.81Å; V194-K196 HydrophobicContact CG1-CG 4.35Å |
| 197 | L | 98.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 136.3 | 171.2 | -177.2 | 63.2 | 0 | 0 | 0 | 109.5 | N116 I117 I118 L166 L170 M173 I188 F200 | N116-L197 PolarHBondContact O-N 2.88Å; I117-L197 HydrophobicContact CD1-CB 4.29Å; I118-L197 PolarHBondContact N-O 3.09Å; L166-L197 HydrophobicContact CD1-CD1 4.34Å; L170-L197 HydrophobicContact CD2-CD2 3.9Å; L170-L197 HydrophobicContact CG-CD2 4.45Å; M173-L197 HydrophobicContact SD-CD2 4.48Å; I188-L197 HydrophobicContact CG1-CD1 4.14Å; L197-F200 WeakPolarHBondContact O-CZ 3.45Å |
| 198 | G | 95.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | trans | -142 | -176.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | H180 N187 | H180-G198 PolarHBondContact NE2-O 3.37Å; H180-G198 VanDerWaalsContact NE2-O 3.14Å; N187-G198 PolarHBondContact O-N 3.32Å | ||
| 199 | D | 92.2 | Very high | 92.7 | Very high | 37 Ų | 37 | 47.7 Ų | 47.7 | 20% | 0.198 | 25% | 0.245 | C | C | . | . | trans | 62.2 | 82.9 | -173 | -159.7 | -9.8 | 0 | 0 | 0 | 114.6 | K87 H180 N187 G201 | K87-D199 IonicContact NZ-OD1 2.8Å; K87-D199 PolarHBondContact NZ-OD1 3.4Å; H180-D199 PolarHBondContact CE1-O 3.46Å; H180-D199 PolarHBondContact NE2-O 3Å; N187-D199 WeakPolarHBondContact OD1-CB 3.4Å; D199-G201 PolarHBondContact OD1-N 3.28Å | ||
| 200 | F | 94.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | trans | -94.5 | 14 | -178.3 | -51.1 | -72.2 | 0 | 0 | 0 | 113.3 | E104 A107 M108 L111 I117 I118 M173 H180 L197 S202 C203 | E104-F200 HydrophobicContact CG-CB 4.22Å; A107-F200 HydrophobicContact CB-CB 3.83Å; A107-F200 HydrophobicContact CB-CG 4.21Å; M108-F200 HydrophobicContact CE-CE2 4.39Å; M108-F200 HydrophobicContact CG-CD2 3.5Å; M108-F200 VanDerWaalsContact CG-CD2 3.5Å; M108-F200 HydrophobicContact CG-CE2 3.87Å; L111-F200 HydrophobicContact CD1-CD1 4.3Å; L111-F200 HydrophobicContact CD1-CE1 4.07Å; L111-F200 HydrophobicContact CD1-CZ 4.46Å; I117-F200 HydrophobicContact CD1-CE1 4.38Å; I117-F200 HydrophobicContact CD1-CZ 4.21Å; I117-F200 HydrophobicContact CG2-CE2 4.28Å; I117-F200 HydrophobicContact CG2-CZ 3.83Å; I118-F200 HydrophobicContact CG2-CE2 3.62Å; I118-F200 HydrophobicContact CG2-CZ 4.15Å; M173-F200 HydrophobicContact CE-CD1 3.84Å; M173-F200 HydrophobicContact CE-CE1 4.25Å; M173-F200 HydrophobicContact SD-CD1 4.41Å; M173-F200 HydrophobicContact SD-CE1 4.23Å; H180-F200 AromaticContact CD2-CD1 3.82Å; H180-F200 AromaticContact CD2-CE1 3.9Å; L197-F200 WeakPolarHBondContact O-CZ 3.45Å; F200-S202 PolarHBondContact O-N 2.86Å; F200-S202 VanDerWaalsContact O-N 3.12Å; F200-C203 HydrophobicContact CB-CB 4.46Å; F200-C203 PolarHBondContact O-N 3.28Å; F200-C203 VanDerWaalsContact O-N 3.14Å; F200-C203 PolarHBondContact O-SG 3.43Å | ||
| 201 | G | 90.6 | Very high | 91 | Very high | 26 Ų | 26 | 54.3 Ų | 54.3 | 27% | 0.268 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -27.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R103 D199 | R103-G201 PolarHBondContact NH1-O 2.99Å; D199-G201 PolarHBondContact OD1-N 3.28Å |
| 202 | S | 91.3 | Very high | 90.4 | Very high | 31 Ų | 31 | 52 Ų | 52 | 22% | 0.217 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -6.2 | -177.2 | -63.7 | 0 | 0 | 0 | 0 | 113.7 | H180 R181 F200 | H180-S202 CarbonylContact O-C 3.59Å; R181-S202 PolarHBondContact NE-O 3.3Å; R181-S202 PolarHBondContact NH2-O 2.92Å; F200-S202 PolarHBondContact O-N 2.86Å; F200-S202 VanDerWaalsContact O-N 3.12Å |
| 203 | C | 93.4 | Very high | 89.8 | Confident | 6 Ų | 6 | 50.1 Ų | 50.1 | 4% | 0.041 | 28% | 0.275 | C | S | . | . | trans | -66.3 | 161.3 | -173 | 76.3 | 0 | 0 | 0 | 0 | 113.6 | R103 A107 M173 I178 F179 F200 | R103-C203 PolarHBondContact NH1-O 3.38Å; A107-C203 VanDerWaalsContact CB-SG 3.6Å; M173-C203 HydrophobicContact CE-CB 3.79Å; I178-C203 HydrophobicContact CG2-CB 3.79Å; F179-C203 VanDerWaalsContact O-CA 3.31Å; F179-C203 WeakPolarHBondContact O-CA 3.13Å; F179-C203 WeakPolarHBondContact O-CB 3.34Å; F200-C203 HydrophobicContact CB-CB 4.46Å; F200-C203 PolarHBondContact O-N 3.28Å; F200-C203 VanDerWaalsContact O-N 3.14Å; F200-C203 PolarHBondContact O-SG 3.43Å | ||
| 204 | R | 92 | Very high | 88.4 | Confident | 74 Ų | 74 | 50.4 Ų | 50.4 | 28% | 0.279 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 158.1 | 175.9 | -73.5 | -66.9 | -176.3 | -155 | -0.8 | 111.4 | R103 I178 F179 R181 | R103-R204 VanDerWaalsContact CZ-NH1 3.34Å; R103-R204 VanDerWaalsContact NH1-CZ 3.25Å; I178-R204 WeakPolarHBondContact CA-O 3.45Å; I178-R204 WeakPolarHBondContact CG2-O 3.18Å; F179-R204 HydrophobicContact CD1-CB 4.03Å; F179-R204 WeakPolarHBondContact CD1-O 3.47Å; F179-R204 HydrophobicContact CE1-CB 3.38Å; F179-R204 HydrophobicContact CZ-CB 3.88Å; F179-R204 PolarHBondContact N-O 2.77Å; F179-R204 PolarHBondContact O-N 3.16Å; F179-R204 VanDerWaalsContact O-N 3.12Å; R181-R204 VanDerWaalsContact NE-CG 3.27Å |
| 205 | S | 91.1 | Very high | 87.2 | Confident | 50 Ų | 50 | 54.5 Ų | 54.5 | 35% | 0.35 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 142.3 | 172.1 | -179.5 | 0 | 0 | 0 | 0 | 109.9 | G177 H207 S208 | G177-S205 CarbonylContact O-C 3.56Å; G177-S205 WeakPolarHBondContact O-CA 3.37Å; S205-H207 PolarHBondContact O-N 3.2Å; S205-H207 PolarHBondContact OG-N 3.08Å; S205-H207 VanDerWaalsContact OG-N 3.16Å; S205-H207 PolarHBondContact OG-ND1 3.03Å; S205-S208 PolarHBondContact O-N 3.23Å; S205-S208 PolarHBondContact O-OG 3.26Å |
| 206 | L | 87.1 | Confident | 86 | Confident | 54 Ų | 54 | 54.9 Ų | 54.9 | 28% | 0.283 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -15.2 | 170.6 | -73.1 | 171.9 | 0 | 0 | 0 | 112.8 | G177 F179 H235 | G177-L206 PolarHBondContact O-N 2.95Å; F179-L206 HydrophobicContact CB-CD2 4.26Å; F179-L206 HydrophobicContact CD1-CD2 3.59Å; F179-L206 HydrophobicContact CD1-CG 4.02Å; F179-L206 HydrophobicContact CE1-CD2 4.05Å; F179-L206 HydrophobicContact CG-CD2 3.98Å; L206-H235 HydrophobicContact CD1-CB 4.21Å; L206-H235 HydrophobicContact CD2-CB 3.64Å; L206-H235 HydrophobicContact CG-CB 4.5Å |
| 207 | H | 85 | Confident | 84.4 | Confident | 150 Ų | 150 | 55 Ų | 55 | 69% | 0.694 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -10.9 | 177.9 | -51.6 | 91.2 | 0 | 0 | 0 | 113 | S205 | S205-H207 PolarHBondContact O-N 3.2Å; S205-H207 PolarHBondContact OG-N 3.08Å; S205-H207 VanDerWaalsContact OG-N 3.16Å; S205-H207 PolarHBondContact OG-ND1 3.03Å |
| 208 | S | 82.7 | Confident | 83.6 | Confident | 44 Ų | 44 | 56.5 Ų | 56.5 | 31% | 0.308 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -69.3 | 148.3 | 171.2 | 42.1 | 0 | 0 | 0 | 0 | 110.2 | S205 Y212 | S205-S208 PolarHBondContact O-N 3.23Å; S205-S208 PolarHBondContact O-OG 3.26Å; S208-Y212 PolarHBondContact O-OH 3.41Å; S208-Y212 VanDerWaalsContact OG-CE1 3.26Å; S208-Y212 WeakPolarHBondContact OG-CE1 3.36Å; S208-Y212 PolarHBondContact OG-OH 3.09Å |
| 209 | K | 81.6 | Confident | 83.5 | Confident | 189 Ų | 189 | 58.4 Ų | 58.4 | 82% | 0.822 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -88.1 | 137.7 | 176.3 | -64.6 | -176.3 | 179.5 | -179 | 0 | 109.5 | ||
| 210 | P | 80.3 | Confident | 83.7 | Confident | 58 Ų | 58 | 61 Ų | 61 | 38% | 0.377 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -61.4 | 161.1 | 166.9 | 28.4 | -33.9 | 0 | 0 | 0 | 110.4 | Y212 Y232 | P210-Y212 HydrophobicContact CB-CD2 4.17Å; P210-Y212 HydrophobicContact CB-CE2 4.15Å; P210-Y232 HydrophobicContact CB-CD1 4.16Å; P210-Y232 HydrophobicContact CB-CE1 4.42Å; P210-Y232 HydrophobicContact CG-CD1 4.21Å; P210-Y232 HydrophobicContact CG-CE1 4.38Å |
| 211 | P | 79.9 | Confident | 83.9 | Confident | 88 Ų | 88 | 61.1 Ų | 61.1 | 57% | 0.571 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | cis | -79.7 | 144.4 | 9.8 | 32 | -36 | 0 | 0 | 0 | 113.6 | D230 Y232 | P211-D230 WeakPolarHBondContact CB-O 3.43Å; P211-Y232 HydrophobicContact CB-CE2 4.35Å |
| 212 | Y | 83.1 | Confident | 84.1 | Confident | 25 Ų | 25 | 59.9 Ų | 59.9 | 10% | 0.098 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -100.1 | 160.1 | 174.3 | -62 | -58.6 | 0 | 0 | 0 | 112 | F179 S208 P210 E214 G231 Y233 | F179-Y212 HydrophobicContact CZ-CD2 4.16Å; F179-Y212 HydrophobicContact CZ-CE1 4.38Å; F179-Y212 AromaticContact CZ-CE2 3.79Å; F179-Y212 HydrophobicContact CZ-CE2 3.79Å; F179-Y212 AromaticContact CZ-CZ 3.88Å; S208-Y212 PolarHBondContact O-OH 3.41Å; S208-Y212 VanDerWaalsContact OG-CE1 3.26Å; S208-Y212 WeakPolarHBondContact OG-CE1 3.36Å; S208-Y212 PolarHBondContact OG-OH 3.09Å; P210-Y212 HydrophobicContact CB-CD2 4.17Å; P210-Y212 HydrophobicContact CB-CE2 4.15Å; Y212-E214 PolarHBondContact O-N 3.4Å; Y212-E214 VanDerWaalsContact O-N 3.13Å; Y212-G231 PolarHBondContact N-O 3.43Å; Y212-G231 WeakPolarHBondContact O-CA 3.45Å; Y212-Y233 WeakPolarHBondContact CB-OH 3.31Å; Y212-Y233 AromaticContact CD2-CD2 3.91Å; Y212-Y233 HydrophobicContact CD2-CD2 3.91Å; Y212-Y233 AromaticContact CD2-CE2 3.7Å; Y212-Y233 HydrophobicContact CD2-CE2 3.7Å; Y212-Y233 HydrophobicContact CD2-CG 4.43Å; Y212-Y233 WeakPolarHBondContact CD2-O 3.21Å; Y212-Y233 VanDerWaalsContact CE2-O 3.28Å; Y212-Y233 WeakPolarHBondContact CE2-O 3.43Å; Y212-Y233 AromaticContact CG-CE2 3.97Å; Y212-Y233 HydrophobicContact CG-CE2 3.97Å |
| 213 | T | 79.9 | Confident | 84.3 | Confident | 74 Ų | 74 | 58.4 Ų | 58.4 | 45% | 0.454 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 119.6 | 175.5 | -43.4 | 0 | 0 | 0 | 0 | 111.3 | I216 Y233 | T213-I216 HydrophobicContact CG2-CG2 4.47Å; T213-I216 WeakPolarHBondContact O-CG2 3.12Å; T213-Y233 PolarHBondContact O-OH 3.18Å |
| 214 | E | 64.6 | Low | 84.4 | Confident | 68 Ų | 68 | 58.1 Ų | 58.1 | 32% | 0.318 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -70.5 | -41.5 | -179 | -67.4 | 169.3 | -125.7 | 0 | 0 | 112.4 | Y212 I216 D230 R287 | Y212-E214 PolarHBondContact O-N 3.4Å; Y212-E214 VanDerWaalsContact O-N 3.13Å; E214-I216 VanDerWaalsContact C-N 3.31Å; E214-I216 PolarHBondContact O-N 3.47Å; E214-D230 WeakPolarHBondContact OE1-CA 3.42Å; E214-R287 IonicContact OE2-CZ 2.76Å; E214-R287 IonicContact OE2-NH2 2.96Å; E214-R287 PolarHBondContact OE2-NH2 3.09Å |
| 215 | Y | 71.6 | Confident | 84.5 | Confident | 150 Ų | 150 | 54.7 Ų | 54.7 | 59% | 0.588 | 28% | 0.275 | S | S | * | . | trans | -82.3 | 77.6 | -178.1 | -161.3 | -92 | 0 | 0 | 0 | 111.4 | R222 | Y215-R222 VanDerWaalsContact CD2-NH1 3.32Å; Y215-R222 VanDerWaalsContact CE2-NH2 3.32Å; Y215-R222 VanDerWaalsContact CG-NH2 3.32Å | ||
| 216 | I | 73.3 | Confident | 84.5 | Confident | 9 Ų | 9 | 52.4 Ų | 52.4 | 5% | 0.046 | 26% | 0.259 | C | S | . | . | trans | -121.1 | 148.4 | 177.9 | 49.4 | 159.8 | 0 | 0 | 0 | 110.8 | R181 T213 E214 R222 Y233 M237 | R181-I216 HydrophobicContact CB-CD1 3.85Å; R181-I216 HydrophobicContact CG-CD1 4.34Å; T213-I216 HydrophobicContact CG2-CG2 4.47Å; T213-I216 WeakPolarHBondContact O-CG2 3.12Å; E214-I216 VanDerWaalsContact C-N 3.31Å; E214-I216 PolarHBondContact O-N 3.47Å; I216-R222 PolarHBondContact O-NE 2.66Å; I216-R222 PolarHBondContact O-NH2 2.97Å; I216-R222 VanDerWaalsContact O-NH2 3.14Å; I216-Y233 HydrophobicContact CD1-CE1 4.39Å; I216-Y233 HydrophobicContact CD1-CE2 4.06Å; I216-Y233 WeakPolarHBondContact CD1-OH 3.44Å; I216-M237 HydrophobicContact CD1-CE 3.38Å; I216-M237 HydrophobicContact CD1-SD 3.48Å; I216-M237 WeakPolarHBondContact CD1-SD 3.46Å | ||
| 217 | S | 65.1 | Low | 84.7 | Confident | 20 Ų | 20 | 50.1 Ų | 50.1 | 14% | 0.14 | 25% | 0.247 | C | C | . | . | S | Bend | trans | 63.2 | 166 | 178.4 | -171.8 | 0 | 0 | 0 | 0 | 116.1 | R181 D182 R222 | R181-S217 WeakPolarHBondContact O-CB 3.1Å; D182-S217 WeakPolarHBondContact OD1-CA 3.14Å; D182-S217 VanDerWaalsContact OD1-CB 3.3Å; D182-S217 WeakPolarHBondContact OD1-CB 3.49Å; D182-S217 PolarHBondContact OD1-OG 3.48Å; S217-R222 PolarHBondContact O-NE 3.48Å; S217-R222 PolarHBondContact O-NH2 3.13Å; S217-R222 VanDerWaalsContact O-NH2 3.13Å |
| 218 | T | 81.6 | Confident | 85 | Confident | 33 Ų | 33 | 43 Ų | 43 | 20% | 0.202 | 21% | 0.214 | C | C | . | . | trans | -61.5 | 129.3 | 163 | -58.4 | 0 | 0 | 0 | 0 | 108.8 | K184 W220 Y221 | K184-T218 PolarHBondContact NZ-OG1 3.38Å; T218-W220 HydrophobicContact CG2-CG 4.4Å; T218-W220 PolarHBondContact O-N 3.04Å; T218-Y221 HydrophobicContact CG2-CD2 4.24Å; T218-Y221 HydrophobicContact CG2-CE2 4.06Å; T218-Y221 PolarHBondContact O-N 3.43Å; T218-Y221 VanDerWaalsContact O-N 3.16Å | ||
| 219 | R | 93.1 | Very high | 85.3 | Confident | 41 Ų | 41 | 41 Ų | 41 | 16% | 0.155 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -50.8 | -35.1 | -171.3 | -169.4 | 179.4 | -60.4 | 101.9 | 2.2 | 114.4 | Y221 R222 G258 T259 N260 Q264 | R219-Y221 PolarHBondContact O-N 3.41Å; R219-Y221 VanDerWaalsContact O-N 3.14Å; R219-R222 WeakPolarHBondContact O-CB 3.4Å; R219-R222 PolarHBondContact O-N 3.39Å; R219-R222 VanDerWaalsContact O-N 3.16Å; R219-G258 PolarHBondContact NH1-O 3.34Å; R219-T259 PolarHBondContact NH1-O 3.44Å; R219-T259 VanDerWaalsContact NH1-O 3.09Å; R219-N260 VanDerWaalsContact CD-C 3.43Å; R219-N260 WeakPolarHBondContact CD-O 3.44Å; R219-Q264 HydrophobicContact CG-CB 3.84Å; R219-Q264 HydrophobicContact CG-CG 3.77Å; R219-Q264 VanDerWaalsContact O-CD 3.28Å; R219-Q264 PolarHBondContact O-NE2 3.04Å |
| 220 | W | 96.6 | Very high | 85.5 | Confident | 92 Ų | 92 | 34.5 Ų | 34.5 | 35% | 0.348 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -62.6 | -21.9 | -174.2 | -56.4 | -11.3 | 0 | 0 | 0 | 114.5 | T218 P254 F256 P257 G258 | T218-W220 HydrophobicContact CG2-CG 4.4Å; T218-W220 PolarHBondContact O-N 3.04Å; W220-P254 HydrophobicContact CD2-CB 4.48Å; W220-P254 HydrophobicContact CE3-CB 3.78Å; W220-P254 HydrophobicContact CE3-CG 4.09Å; W220-P254 HydrophobicContact CZ3-CB 4.13Å; W220-P254 HydrophobicContact CZ3-CG 3.95Å; W220-F256 WeakPolarHBondContact CA-O 3.12Å; W220-F256 WeakPolarHBondContact CB-O 3.23Å; W220-P257 HydrophobicContact CD2-CB 4.31Å; W220-P257 HydrophobicContact CZ2-CB 4.2Å; W220-G258 PolarHBondContact NE1-O 3.48Å; W220-G258 VanDerWaalsContact NE1-O 3.16Å |
| 221 | Y | 97.6 | Very high | 85.8 | Confident | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -109 | 5.2 | -178 | -46.7 | -83.1 | 0 | 0 | 0 | 113 | K184 P185 T218 R219 S241 C244 V245 E248 | K184-Y221 HydrophobicContact CB-CD1 4.37Å; K184-Y221 HydrophobicContact CB-CD2 3.54Å; K184-Y221 HydrophobicContact CB-CE1 4.41Å; K184-Y221 HydrophobicContact CB-CE2 3.56Å; K184-Y221 HydrophobicContact CB-CG 3.97Å; K184-Y221 HydrophobicContact CD-CE2 4.45Å; P185-Y221 WeakPolarHBondContact CD-OH 3.36Å; P185-Y221 HydrophobicContact CG-CE1 3.98Å; P185-Y221 WeakPolarHBondContact CG-OH 3.44Å; T218-Y221 HydrophobicContact CG2-CD2 4.24Å; T218-Y221 HydrophobicContact CG2-CE2 4.06Å; T218-Y221 PolarHBondContact O-N 3.43Å; T218-Y221 VanDerWaalsContact O-N 3.16Å; R219-Y221 PolarHBondContact O-N 3.41Å; R219-Y221 VanDerWaalsContact O-N 3.14Å; Y221-S241 PolarHBondContact O-OG 3.23Å; Y221-C244 HydrophobicContact CD1-CB 3.68Å; Y221-C244 HydrophobicContact CE1-CB 4.4Å; Y221-V245 HydrophobicContact CD1-CG2 4.33Å; Y221-V245 HydrophobicContact CE1-CG2 4.4Å; Y221-E248 VanDerWaalsContact CE1-OE2 3.3Å; Y221-E248 WeakPolarHBondContact CE1-OE2 2.99Å; Y221-E248 PolarHBondContact OH-OE2 3.03Å |
| 222 | R | 95.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -73.1 | 135.6 | 179.3 | -70.2 | -175.9 | -173.5 | -176.2 | -2.1 | 110.8 | Y215 I216 S217 R219 L227 W240 E261 | Y215-R222 VanDerWaalsContact CD2-NH1 3.32Å; Y215-R222 VanDerWaalsContact CE2-NH2 3.32Å; Y215-R222 VanDerWaalsContact CG-NH2 3.32Å; I216-R222 PolarHBondContact O-NE 2.66Å; I216-R222 PolarHBondContact O-NH2 2.97Å; I216-R222 VanDerWaalsContact O-NH2 3.14Å; S217-R222 PolarHBondContact O-NE 3.48Å; S217-R222 PolarHBondContact O-NH2 3.13Å; S217-R222 VanDerWaalsContact O-NH2 3.13Å; R219-R222 WeakPolarHBondContact O-CB 3.4Å; R219-R222 PolarHBondContact O-N 3.39Å; R219-R222 VanDerWaalsContact O-N 3.16Å; R222-L227 HydrophobicContact CB-CD1 4.41Å; R222-L227 HydrophobicContact CB-CD2 4.12Å; R222-L227 HydrophobicContact CB-CG 4.13Å; R222-W240 PolarHBondContact O-NE1 3.03Å; R222-E261 IonicContact NH1-OE1 3.86Å; R222-E261 PolarHBondContact NH1-OE1 3.27Å; R222-E261 VanDerWaalsContact NH1-OE1 3.15Å | ||
| 223 | A | 95.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -71.6 | 154.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | E225 C226 L227 M237 W240 | A223-E225 VanDerWaalsContact C-N 3.28Å; A223-E225 VanDerWaalsContact CB-CD 3.4Å; A223-E225 HydrophobicContact CB-CG 4.44Å; A223-E225 WeakPolarHBondContact CB-OE1 3.39Å; A223-E225 VanDerWaalsContact CB-OE2 3.23Å; A223-E225 WeakPolarHBondContact CB-OE2 3.21Å; A223-E225 PolarHBondContact O-N 3.16Å; A223-C226 WeakPolarHBondContact O-CB 3.08Å; A223-C226 PolarHBondContact O-N 3.13Å; A223-L227 PolarHBondContact O-N 3Å; A223-M237 HydrophobicContact CB-CB 4.03Å; A223-W240 HydrophobicContact CB-CB 3.66Å; A223-W240 HydrophobicContact CB-CD2 4.28Å; A223-W240 HydrophobicContact CB-CG 3.66Å | ||
| 224 | P | 94.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -56.7 | -40.2 | -179.3 | -24.2 | 33.5 | 0 | 0 | 0 | 112.8 | C226 L227 L228 W240 Y322 | P224-C226 VanDerWaalsContact C-N 3.26Å; P224-C226 PolarHBondContact O-N 2.82Å; P224-L227 CarbonylContact O-C 3.6Å; P224-L227 WeakPolarHBondContact O-CA 3.46Å; P224-L227 WeakPolarHBondContact O-CB 3.5Å; P224-L227 PolarHBondContact O-N 3.46Å; P224-L228 HydrophobicContact CB-CD1 4.26Å; P224-L228 VanDerWaalsContact O-CB 3.27Å; P224-L228 WeakPolarHBondContact O-CB 3.48Å; P224-L228 VanDerWaalsContact O-CG 3.28Å; P224-L228 WeakPolarHBondContact O-CG 3.27Å; P224-L228 PolarHBondContact O-N 3.28Å; P224-W240 HydrophobicContact CG-CD2 4.45Å; P224-W240 HydrophobicContact CG-CE3 4.09Å; P224-W240 HydrophobicContact CG-CH2 3.47Å; P224-W240 VanDerWaalsContact CG-CH2 3.47Å; P224-W240 HydrophobicContact CG-CZ2 3.89Å; P224-W240 HydrophobicContact CG-CZ3 3.59Å; P224-Y322 HydrophobicContact CB-CD1 3.81Å; P224-Y322 HydrophobicContact CB-CE1 3.37Å; P224-Y322 HydrophobicContact CG-CD1 3.96Å; P224-Y322 HydrophobicContact CG-CE1 3.82Å; P224-Y322 HydrophobicContact CG-CG 4.37Å |
| 225 | E | 93.6 | Very high | 88.8 | Confident | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.009 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.1 | -31.2 | 178.2 | 68 | -84.7 | -161 | 0 | 0 | 112.6 | A223 L227 T229 F283 P324 R327 | A223-E225 VanDerWaalsContact C-N 3.28Å; A223-E225 VanDerWaalsContact CB-CD 3.4Å; A223-E225 HydrophobicContact CB-CG 4.44Å; A223-E225 WeakPolarHBondContact CB-OE1 3.39Å; A223-E225 VanDerWaalsContact CB-OE2 3.23Å; A223-E225 WeakPolarHBondContact CB-OE2 3.21Å; A223-E225 PolarHBondContact O-N 3.16Å; E225-L227 VanDerWaalsContact C-N 3.26Å; E225-L227 PolarHBondContact O-N 2.9Å; E225-T229 HydrophobicContact CB-CG2 4.42Å; E225-T229 WeakPolarHBondContact O-CB 3.2Å; E225-T229 WeakPolarHBondContact O-CG2 3.33Å; E225-T229 PolarHBondContact O-N 3.45Å; E225-T229 VanDerWaalsContact O-N 3.1Å; E225-T229 PolarHBondContact O-OG1 3.27Å; E225-F283 HydrophobicContact CB-CD1 4.44Å; E225-F283 HydrophobicContact CB-CE1 3.77Å; E225-F283 HydrophobicContact CB-CZ 4.42Å; E225-P324 HydrophobicContact CB-CG 4.02Å; E225-P324 VanDerWaalsContact CD-CG 3.5Å; E225-P324 HydrophobicContact CG-CG 3.88Å; E225-R327 IonicContact OE1-CZ 3.61Å; E225-R327 IonicContact OE1-NH1 3.1Å; E225-R327 PolarHBondContact OE1-NH1 3.35Å; E225-R327 IonicContact OE1-NH2 2.86Å; E225-R327 IonicContact OE2-CZ 3.96Å; E225-R327 IonicContact OE2-NH1 3.45Å; E225-R327 PolarHBondContact OE2-NH1 3.17Å; E225-R327 IonicContact OE2-NH2 2.7Å; E225-R327 PolarHBondContact OE2-NH2 2.82Å |
| 226 | C | 92.4 | Very high | 90 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.014 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -72.2 | -23.1 | 174.3 | -58.2 | 0 | 0 | 0 | 0 | 112.4 | A223 P224 Y233 | A223-C226 WeakPolarHBondContact O-CB 3.08Å; A223-C226 PolarHBondContact O-N 3.13Å; P224-C226 VanDerWaalsContact C-N 3.26Å; P224-C226 PolarHBondContact O-N 2.82Å; C226-Y233 HydrophobicContact CB-CD1 4.45Å |
| 227 | L | 91.3 | Very high | 91.1 | Very high | 5 Ų | 5 | 23.6 Ų | 23.6 | 3% | 0.026 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -95.4 | -20.7 | -179.7 | -64.2 | 170.1 | 0 | 0 | 0 | 112.8 | R222 A223 P224 E225 Q264 V265 I268 R287 | R222-L227 HydrophobicContact CB-CD1 4.41Å; R222-L227 HydrophobicContact CB-CD2 4.12Å; R222-L227 HydrophobicContact CB-CG 4.13Å; A223-L227 PolarHBondContact O-N 3Å; P224-L227 CarbonylContact O-C 3.6Å; P224-L227 WeakPolarHBondContact O-CA 3.46Å; P224-L227 WeakPolarHBondContact O-CB 3.5Å; P224-L227 PolarHBondContact O-N 3.46Å; E225-L227 VanDerWaalsContact C-N 3.26Å; E225-L227 PolarHBondContact O-N 2.9Å; L227-Q264 HydrophobicContact CD1-CB 4.28Å; L227-Q264 HydrophobicContact CD1-CG 3.54Å; L227-Q264 HydrophobicContact CD2-CG 4.33Å; L227-V265 HydrophobicContact CB-CG2 4Å; L227-V265 HydrophobicContact CD1-CG2 4.14Å; L227-I268 HydrophobicContact CD1-CD1 3.72Å; L227-R287 PolarHBondContact O-NH1 3.27Å |
| 228 | L | 90.4 | Very high | 92.7 | Very high | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -118.3 | -3.6 | -169.4 | -61.6 | 176.9 | 0 | 0 | 0 | 113.6 | P224 V265 F283 R287 F291 F293 Y322 | P224-L228 HydrophobicContact CB-CD1 4.26Å; P224-L228 VanDerWaalsContact O-CB 3.27Å; P224-L228 WeakPolarHBondContact O-CB 3.48Å; P224-L228 VanDerWaalsContact O-CG 3.28Å; P224-L228 WeakPolarHBondContact O-CG 3.27Å; P224-L228 PolarHBondContact O-N 3.28Å; L228-V265 HydrophobicContact CD2-CG1 4.29Å; L228-V265 HydrophobicContact CD2-CG2 3.92Å; L228-F283 HydrophobicContact CB-CB 4.21Å; L228-F283 HydrophobicContact CB-CD2 4.26Å; L228-F283 HydrophobicContact CB-CG 4.2Å; L228-F283 HydrophobicContact CD1-CD2 3.83Å; L228-F283 HydrophobicContact CD1-CE2 4.09Å; L228-R287 WeakPolarHBondContact O-CD 3.35Å; L228-F291 HydrophobicContact CB-CE2 4.35Å; L228-F291 HydrophobicContact CD2-CD2 3.84Å; L228-F291 HydrophobicContact CD2-CE2 3.76Å; L228-F291 HydrophobicContact CD2-CG 4.34Å; L228-F291 HydrophobicContact CD2-CZ 4.27Å; L228-F293 HydrophobicContact CD2-CE2 3.92Å; L228-F293 HydrophobicContact CD2-CZ 3.98Å; L228-Y322 HydrophobicContact CD1-CE1 4.13Å |
| 229 | T | 88.6 | Confident | 93.5 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.012 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -124.8 | 158.6 | 176.9 | 75.6 | 0 | 0 | 0 | 0 | 111.7 | E225 G231 Y232 F283 R287 | E225-T229 HydrophobicContact CB-CG2 4.42Å; E225-T229 WeakPolarHBondContact O-CB 3.2Å; E225-T229 WeakPolarHBondContact O-CG2 3.33Å; E225-T229 PolarHBondContact O-N 3.45Å; E225-T229 VanDerWaalsContact O-N 3.1Å; E225-T229 PolarHBondContact O-OG1 3.27Å; T229-G231 PolarHBondContact O-N 2.96Å; T229-Y232 PolarHBondContact OG1-N 3.29Å; T229-Y232 VanDerWaalsContact OG1-N 3.09Å; T229-Y232 PolarHBondContact OG1-O 3.09Å; T229-F283 HydrophobicContact CG2-CB 4.3Å; T229-F283 HydrophobicContact CG2-CD1 3.71Å; T229-F283 HydrophobicContact CG2-CG 4.37Å; T229-R287 PolarHBondContact O-NH2 3.43Å |
| 230 | D | 86.4 | Confident | 93.8 | Very high | 51 Ų | 51 | 19.1 Ų | 19.1 | 27% | 0.273 | 9% | 0.086 | S | C | . | . | S | Bend | trans | -83.6 | 55.6 | 175.4 | -64.2 | -16.5 | 0 | 0 | 0 | 110.8 | P211 E214 S286 R287 A288 | P211-D230 WeakPolarHBondContact CB-O 3.43Å; E214-D230 WeakPolarHBondContact OE1-CA 3.42Å; D230-S286 WeakPolarHBondContact CB-O 3.46Å; D230-S286 PolarHBondContact N-O 3.06Å; D230-R287 VanDerWaalsContact OD1-CG 3.24Å; D230-R287 WeakPolarHBondContact OD1-CG 3.47Å; D230-R287 IonicContact OD1-CZ 3.84Å; D230-R287 IonicContact OD1-NE 3.86Å; D230-R287 PolarHBondContact OD1-NE 3.45Å; D230-R287 IonicContact OD1-NH2 2.69Å; D230-R287 VanDerWaalsContact OD2-CA 3.29Å; D230-R287 WeakPolarHBondContact OD2-CA 3.34Å; D230-A288 PolarHBondContact OD2-N 3.49Å |
| 231 | G | 86.9 | Confident | 93.9 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.07 | C | C | . | . | S | Bend | trans | 87.8 | 15.1 | 176 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y212 T229 Y233 | Y212-G231 PolarHBondContact N-O 3.43Å; Y212-G231 WeakPolarHBondContact O-CA 3.45Å; T229-G231 PolarHBondContact O-N 2.96Å; G231-Y233 PolarHBondContact O-N 3.47Å |
| 232 | Y | 89.7 | Confident | 93.9 | Very high | 112 Ų | 112 | 14.6 Ų | 14.6 | 44% | 0.439 | 7% | 0.069 | S | C | . | . | trans | -92.7 | 87.5 | 178.2 | -71.1 | -95.8 | 0 | 0 | 0 | 110.5 | P210 P211 T229 | P210-Y232 HydrophobicContact CB-CD1 4.16Å; P210-Y232 HydrophobicContact CB-CE1 4.42Å; P210-Y232 HydrophobicContact CG-CD1 4.21Å; P210-Y232 HydrophobicContact CG-CE1 4.38Å; P211-Y232 HydrophobicContact CB-CE2 4.35Å; T229-Y232 PolarHBondContact OG1-N 3.29Å; T229-Y232 VanDerWaalsContact OG1-N 3.09Å; T229-Y232 PolarHBondContact OG1-O 3.09Å | ||
| 233 | Y | 91.2 | Very high | 94.1 | Very high | 14 Ų | 14 | 14.6 Ų | 14.6 | 6% | 0.055 | 7% | 0.069 | C | C | . | . | trans | -146.4 | 165.3 | 178.5 | 57 | -104.1 | 0 | 0 | 0 | 111.5 | F179 R181 Y212 T213 I216 C226 G231 M237 | F179-Y233 AromaticContact CE2-CD2 3.93Å; F179-Y233 HydrophobicContact CE2-CD2 3.93Å; F179-Y233 AromaticContact CE2-CE2 3.8Å; F179-Y233 HydrophobicContact CE2-CE2 3.8Å; F179-Y233 HydrophobicContact CZ-CE2 4.28Å; R181-Y233 PolarHBondContact NH1-OH 2.84Å; Y212-Y233 WeakPolarHBondContact CB-OH 3.31Å; Y212-Y233 AromaticContact CD2-CD2 3.91Å; Y212-Y233 HydrophobicContact CD2-CD2 3.91Å; Y212-Y233 AromaticContact CD2-CE2 3.7Å; Y212-Y233 HydrophobicContact CD2-CE2 3.7Å; Y212-Y233 HydrophobicContact CD2-CG 4.43Å; Y212-Y233 WeakPolarHBondContact CD2-O 3.21Å; Y212-Y233 VanDerWaalsContact CE2-O 3.28Å; Y212-Y233 WeakPolarHBondContact CE2-O 3.43Å; Y212-Y233 AromaticContact CG-CE2 3.97Å; Y212-Y233 HydrophobicContact CG-CE2 3.97Å; T213-Y233 PolarHBondContact O-OH 3.18Å; I216-Y233 HydrophobicContact CD1-CE1 4.39Å; I216-Y233 HydrophobicContact CD1-CE2 4.06Å; I216-Y233 WeakPolarHBondContact CD1-OH 3.44Å; C226-Y233 HydrophobicContact CB-CD1 4.45Å; G231-Y233 PolarHBondContact O-N 3.47Å; Y233-M237 HydrophobicContact CD2-CG 4.38Å; Y233-M237 HydrophobicContact CD2-SD 3.7Å; Y233-M237 HydrophobicContact CE2-SD 3.69Å | ||
| 234 | S | 93.2 | Very high | 94.2 | Very high | 34 Ų | 34 | 14.7 Ų | 14.7 | 24% | 0.238 | 7% | 0.07 | C | C | . | . | trans | -128.3 | -176.4 | -177.1 | 78.4 | 0 | 0 | 0 | 0 | 111.7 | K236 M237 | S234-K236 PolarHBondContact O-N 2.86Å; S234-K236 PolarHBondContact OG-N 3.03Å; S234-M237 VanDerWaalsContact O-CG 3.26Å; S234-M237 WeakPolarHBondContact O-CG 3.26Å; S234-M237 PolarHBondContact O-N 3.02Å | ||
| 235 | H | 95.5 | Very high | 94.4 | Very high | 55 Ų | 55 | 14.7 Ų | 14.7 | 26% | 0.255 | 7% | 0.07 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -20.5 | 173.6 | 64.7 | -78.5 | 0 | 0 | 0 | 114.5 | H174 F179 L206 M237 D238 | H174-H235 AromaticContact CE1-CD2 3.92Å; H174-H235 AromaticContact CG-CD2 3.93Å; H174-H235 AromaticContact ND1-CD2 3.53Å; F179-H235 HydrophobicContact CB-CB 3.61Å; F179-H235 HydrophobicContact CD2-CB 4.46Å; F179-H235 HydrophobicContact CG-CB 4.19Å; L206-H235 HydrophobicContact CD1-CB 4.21Å; L206-H235 HydrophobicContact CD2-CB 3.64Å; L206-H235 HydrophobicContact CG-CB 4.5Å; H235-M237 PolarHBondContact O-N 2.86Å; H235-M237 VanDerWaalsContact O-N 3.13Å; H235-D238 WeakPolarHBondContact O-CB 3.36Å; H235-D238 PolarHBondContact O-N 2.94Å |
| 236 | K | 97.2 | Very high | 94.7 | Very high | 27 Ų | 27 | 14.6 Ų | 14.6 | 12% | 0.117 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -59.3 | -21.3 | 175 | -66.4 | -66.4 | -162.8 | 81.5 | 0 | 112.8 | S234 D238 M239 W240 P324 E325 R327 | S234-K236 PolarHBondContact O-N 2.86Å; S234-K236 PolarHBondContact OG-N 3.03Å; K236-D238 PolarHBondContact O-N 3.48Å; K236-M239 PolarHBondContact O-N 3.08Å; K236-W240 PolarHBondContact O-N 2.74Å; K236-P324 HydrophobicContact CB-CB 4.09Å; K236-P324 WeakPolarHBondContact CG-O 3.27Å; K236-P324 PolarHBondContact NZ-O 3.44Å; K236-E325 PolarHBondContact NZ-O 3.22Å; K236-R327 VanDerWaalsContact C-NH1 3.3Å; K236-R327 WeakPolarHBondContact CE-O 3.43Å; K236-R327 PolarHBondContact NZ-O 3.36Å; K236-R327 VanDerWaalsContact O-CD 3.31Å; K236-R327 WeakPolarHBondContact O-CD 3.32Å; K236-R327 PolarHBondContact O-NH1 2.96Å |
| 237 | M | 96.7 | Very high | 95 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 1% | 0.005 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -60.3 | -33.2 | 173.5 | 73.5 | 158.9 | -67 | 0 | 0 | 112.4 | F179 R181 I216 A223 Y233 S234 H235 M239 W240 S241 | F179-M237 HydrophobicContact CD2-CG 4.31Å; F179-M237 HydrophobicContact CD2-SD 4.43Å; F179-M237 HydrophobicContact CE2-SD 4.36Å; R181-M237 HydrophobicContact CB-CE 4.29Å; R181-M237 HydrophobicContact CB-SD 4.05Å; R181-M237 HydrophobicContact CG-SD 3.8Å; I216-M237 HydrophobicContact CD1-CE 3.38Å; I216-M237 HydrophobicContact CD1-SD 3.48Å; I216-M237 WeakPolarHBondContact CD1-SD 3.46Å; A223-M237 HydrophobicContact CB-CB 4.03Å; Y233-M237 HydrophobicContact CD2-CG 4.38Å; Y233-M237 HydrophobicContact CD2-SD 3.7Å; Y233-M237 HydrophobicContact CE2-SD 3.69Å; S234-M237 VanDerWaalsContact O-CG 3.26Å; S234-M237 WeakPolarHBondContact O-CG 3.26Å; S234-M237 PolarHBondContact O-N 3.02Å; H235-M237 PolarHBondContact O-N 2.86Å; H235-M237 VanDerWaalsContact O-N 3.13Å; M237-M239 VanDerWaalsContact C-N 3.25Å; M237-M239 PolarHBondContact O-N 2.81Å; M237-W240 WeakPolarHBondContact O-CB 3.48Å; M237-W240 PolarHBondContact O-N 3.47Å; M237-S241 PolarHBondContact O-N 3.18Å; M237-S241 PolarHBondContact O-OG 3.14Å |
| 238 | D | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -65.8 | -34.9 | 179.9 | -70.1 | -27.4 | 0 | 0 | 0 | 110.1 | L170 H174 F179 H180 R181 V183 H235 K236 W240 S241 V242 | L170-D238 HydrophobicContact CD1-CB 4.02Å; L170-D238 HydrophobicContact CD2-CB 4.08Å; H174-D238 IonicContact CD2-OD2 3.86Å; H174-D238 IonicContact CE1-OD2 2.75Å; H174-D238 IonicContact NE2-OD2 3.54Å; H174-D238 PolarHBondContact NE2-OD2 2.91Å; F179-D238 WeakPolarHBondContact CB-OD2 3.33Å; H180-D238 PolarHBondContact N-OD1 3.45Å; H180-D238 PolarHBondContact N-OD2 3.04Å; R181-D238 PolarHBondContact N-OD1 3.06Å; V183-D238 HydrophobicContact CG2-CB 4.28Å; H235-D238 WeakPolarHBondContact O-CB 3.36Å; H235-D238 PolarHBondContact O-N 2.94Å; K236-D238 PolarHBondContact O-N 3.48Å; D238-W240 VanDerWaalsContact C-N 3.34Å; D238-W240 PolarHBondContact O-N 3.49Å; D238-S241 WeakPolarHBondContact O-CB 3.34Å; D238-S241 PolarHBondContact O-N 3.37Å; D238-V242 VanDerWaalsContact O-CG2 3.27Å; D238-V242 WeakPolarHBondContact O-CG2 3.42Å; D238-V242 PolarHBondContact O-N 3.23Å |
| 239 | M | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -69.6 | -31.4 | 179.6 | -64.1 | -56.1 | -57.3 | 0 | 0 | 112.5 | L170 K236 M237 V242 G243 M319 R327 I328 A333 | L170-M239 HydrophobicContact CD1-SD 4.13Å; K236-M239 PolarHBondContact O-N 3.08Å; M237-M239 VanDerWaalsContact C-N 3.25Å; M237-M239 PolarHBondContact O-N 2.81Å; M239-V242 WeakPolarHBondContact O-CB 3.13Å; M239-V242 PolarHBondContact O-N 2.78Å; M239-G243 PolarHBondContact O-N 3.22Å; M239-M319 HydrophobicContact CE-CE 4.05Å; M239-M319 HydrophobicContact CE-CG 4.27Å; M239-R327 HydrophobicContact CB-CG 4.4Å; M239-I328 WeakPolarHBondContact CB-O 3.37Å; M239-I328 HydrophobicContact CE-CG2 4.39Å; M239-I328 WeakPolarHBondContact CG-O 3.39Å; M239-A333 HydrophobicContact CE-CB 3.95Å |
| 240 | W | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63.3 | -48.2 | 169.1 | 175 | -84.5 | 0 | 0 | 0 | 111 | R222 A223 P224 K236 M237 D238 V242 G243 C244 F256 I268 L272 M319 L320 | R222-W240 PolarHBondContact O-NE1 3.03Å; A223-W240 HydrophobicContact CB-CB 3.66Å; A223-W240 HydrophobicContact CB-CD2 4.28Å; A223-W240 HydrophobicContact CB-CG 3.66Å; P224-W240 HydrophobicContact CG-CD2 4.45Å; P224-W240 HydrophobicContact CG-CE3 4.09Å; P224-W240 HydrophobicContact CG-CH2 3.47Å; P224-W240 VanDerWaalsContact CG-CH2 3.47Å; P224-W240 HydrophobicContact CG-CZ2 3.89Å; P224-W240 HydrophobicContact CG-CZ3 3.59Å; K236-W240 PolarHBondContact O-N 2.74Å; M237-W240 WeakPolarHBondContact O-CB 3.48Å; M237-W240 PolarHBondContact O-N 3.47Å; D238-W240 VanDerWaalsContact C-N 3.34Å; D238-W240 PolarHBondContact O-N 3.49Å; W240-V242 VanDerWaalsContact C-N 3.26Å; W240-V242 PolarHBondContact O-N 2.88Å; W240-G243 WeakPolarHBondContact O-CA 3.14Å; W240-G243 PolarHBondContact O-N 3.41Å; W240-C244 PolarHBondContact O-N 2.76Å; W240-F256 HydrophobicContact CH2-CE2 4.14Å; W240-F256 HydrophobicContact CH2-CZ 4.43Å; W240-F256 HydrophobicContact CZ2-CD2 4.08Å; W240-F256 AromaticContact CZ2-CE2 3.46Å; W240-F256 HydrophobicContact CZ2-CE2 3.46Å; W240-F256 VanDerWaalsContact CZ2-CE2 3.46Å; W240-F256 HydrophobicContact CZ2-CZ 4.14Å; W240-I268 HydrophobicContact CH2-CG2 3.94Å; W240-I268 HydrophobicContact CZ2-CD1 3.93Å; W240-I268 HydrophobicContact CZ2-CG1 4.07Å; W240-I268 HydrophobicContact CZ2-CG2 4.26Å; W240-L272 HydrophobicContact CH2-CD1 3.51Å; W240-L272 HydrophobicContact CZ3-CD1 3.9Å; W240-M319 WeakPolarHBondContact CA-O 3.48Å; W240-L320 HydrophobicContact CD2-CD2 3.81Å; W240-L320 HydrophobicContact CE3-CB 4.41Å; W240-L320 HydrophobicContact CE3-CD2 3.95Å; W240-L320 HydrophobicContact CG-CD2 4.32Å; W240-L320 HydrophobicContact CH2-CD2 4.43Å; W240-L320 HydrophobicContact CZ2-CD2 4.29Å; W240-L320 HydrophobicContact CZ3-CB 4.28Å; W240-L320 HydrophobicContact CZ3-CD2 4.26Å; W240-L320 VanDerWaalsContact CZ3-O 3.29Å; W240-L320 WeakPolarHBondContact CZ3-O 3.21Å |
| 241 | S | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -59.6 | -38 | 177.6 | -56.2 | 0 | 0 | 0 | 0 | 112.1 | V183 Y221 M237 D238 G243 C244 V245 | V183-S241 WeakPolarHBondContact O-CB 3.17Å; Y221-S241 PolarHBondContact O-OG 3.23Å; M237-S241 PolarHBondContact O-N 3.18Å; M237-S241 PolarHBondContact O-OG 3.14Å; D238-S241 WeakPolarHBondContact O-CB 3.34Å; D238-S241 PolarHBondContact O-N 3.37Å; S241-G243 VanDerWaalsContact C-N 3.33Å; S241-G243 PolarHBondContact O-N 3.2Å; S241-C244 PolarHBondContact O-N 3.45Å; S241-V245 WeakPolarHBondContact O-CG2 3.29Å; S241-V245 PolarHBondContact O-N 3.36Å |
| 242 | V | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.5 | -41.6 | 171.3 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | M163 L166 L170 V183 D238 M239 W240 V245 F246 M319 | M163-V242 HydrophobicContact CE-CG1 3.37Å; L166-V242 HydrophobicContact CD2-CG1 4.13Å; L166-V242 HydrophobicContact CD2-CG2 4.06Å; L166-V242 HydrophobicContact CG-CG2 4.18Å; L170-V242 HydrophobicContact CD1-CG2 3.28Å; V183-V242 HydrophobicContact CG1-CG2 4.22Å; D238-V242 VanDerWaalsContact O-CG2 3.27Å; D238-V242 WeakPolarHBondContact O-CG2 3.42Å; D238-V242 PolarHBondContact O-N 3.23Å; M239-V242 WeakPolarHBondContact O-CB 3.13Å; M239-V242 PolarHBondContact O-N 2.78Å; W240-V242 VanDerWaalsContact C-N 3.26Å; W240-V242 PolarHBondContact O-N 2.88Å; V242-V245 PolarHBondContact O-N 3.49Å; V242-F246 VanDerWaalsContact O-CB 3.3Å; V242-F246 WeakPolarHBondContact O-CB 3.3Å; V242-F246 PolarHBondContact O-N 3.1Å; V242-M319 HydrophobicContact CB-SD 4.46Å; V242-M319 HydrophobicContact CG1-CE 3.64Å; V242-M319 HydrophobicContact CG1-SD 3.7Å |
| 243 | G | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.3 | -46.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | M239 W240 S241 V245 F246 Y247 L316 | M239-G243 PolarHBondContact O-N 3.22Å; W240-G243 WeakPolarHBondContact O-CA 3.14Å; W240-G243 PolarHBondContact O-N 3.41Å; S241-G243 VanDerWaalsContact C-N 3.33Å; S241-G243 PolarHBondContact O-N 3.2Å; G243-V245 PolarHBondContact O-N 3Å; G243-F246 PolarHBondContact O-N 2.7Å; G243-Y247 PolarHBondContact O-N 3.45Å; G243-L316 WeakPolarHBondContact O-CD1 3.5Å |
| 244 | C | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.007 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -59.7 | -46.3 | 174.6 | -68.2 | 0 | 0 | 0 | 0 | 112.1 | Y221 W240 S241 F246 Y247 E248 | Y221-C244 HydrophobicContact CD1-CB 3.68Å; Y221-C244 HydrophobicContact CE1-CB 4.4Å; W240-C244 PolarHBondContact O-N 2.76Å; S241-C244 PolarHBondContact O-N 3.45Å; C244-F246 VanDerWaalsContact C-N 3.34Å; C244-F246 PolarHBondContact O-N 2.84Å; C244-Y247 PolarHBondContact O-N 2.72Å; C244-E248 WeakPolarHBondContact O-CB 2.92Å; C244-E248 PolarHBondContact O-N 2.82Å |
| 245 | V | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.006 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.9 | -44.1 | 175.5 | 168.4 | 0 | 0 | 0 | 0 | 111.1 | M163 L166 V183 P185 I188 Y221 S241 V242 G243 E248 I249 | M163-V245 HydrophobicContact SD-CG1 4.48Å; L166-V245 HydrophobicContact CD2-CG1 4.24Å; V183-V245 HydrophobicContact CG1-CG2 4.46Å; P185-V245 HydrophobicContact CG-CG2 4.13Å; I188-V245 HydrophobicContact CD1-CB 4.44Å; I188-V245 HydrophobicContact CD1-CG1 3.72Å; I188-V245 HydrophobicContact CD1-CG2 3.95Å; Y221-V245 HydrophobicContact CD1-CG2 4.33Å; Y221-V245 HydrophobicContact CE1-CG2 4.4Å; S241-V245 WeakPolarHBondContact O-CG2 3.29Å; S241-V245 PolarHBondContact O-N 3.36Å; V242-V245 PolarHBondContact O-N 3.49Å; G243-V245 PolarHBondContact O-N 3Å; V245-E248 PolarHBondContact O-N 2.81Å; V245-I249 HydrophobicContact CG1-CD1 3.63Å; V245-I249 HydrophobicContact CG1-CG1 4.22Å; V245-I249 VanDerWaalsContact O-CG1 3.23Å; V245-I249 WeakPolarHBondContact O-CG1 3.44Å; V245-I249 PolarHBondContact O-N 3.13Å |
| 246 | F | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.8 | -47.8 | -178.8 | -169.5 | -173.3 | 0 | 0 | 0 | 111 | I159 M163 V242 G243 C244 E248 I249 I250 S312 L315 L316 M319 Y338 | I159-F246 HydrophobicContact CG2-CD2 3.87Å; I159-F246 HydrophobicContact CG2-CE2 3.58Å; M163-F246 HydrophobicContact CE-CB 3.54Å; M163-F246 HydrophobicContact CE-CD1 4.36Å; M163-F246 HydrophobicContact CE-CD2 4.42Å; M163-F246 HydrophobicContact CE-CG 3.88Å; M163-F246 HydrophobicContact CG-CB 4.42Å; M163-F246 HydrophobicContact CG-CD1 4.47Å; M163-F246 HydrophobicContact CG-CD2 3.52Å; M163-F246 HydrophobicContact CG-CE2 3.84Å; M163-F246 HydrophobicContact CG-CG 3.89Å; M163-F246 HydrophobicContact CG-CZ 4.44Å; M163-F246 HydrophobicContact SD-CB 3.92Å; M163-F246 HydrophobicContact SD-CD2 4Å; M163-F246 HydrophobicContact SD-CG 4.05Å; V242-F246 VanDerWaalsContact O-CB 3.3Å; V242-F246 WeakPolarHBondContact O-CB 3.3Å; V242-F246 PolarHBondContact O-N 3.1Å; G243-F246 PolarHBondContact O-N 2.7Å; C244-F246 VanDerWaalsContact C-N 3.34Å; C244-F246 PolarHBondContact O-N 2.84Å; F246-E248 VanDerWaalsContact C-N 3.32Å; F246-E248 PolarHBondContact O-N 2.84Å; F246-I249 PolarHBondContact O-N 3.34Å; F246-I250 HydrophobicContact CD2-CD1 3.67Å; F246-I250 HydrophobicContact CD2-CG1 4.14Å; F246-I250 HydrophobicContact CE2-CD1 3.54Å; F246-I250 HydrophobicContact CE2-CG1 4.11Å; F246-I250 HydrophobicContact CG-CD1 4.49Å; F246-I250 HydrophobicContact CZ-CD1 4.25Å; F246-I250 WeakPolarHBondContact O-CG1 3.42Å; F246-I250 PolarHBondContact O-N 3.12Å; F246-S312 WeakPolarHBondContact CZ-OG 3.33Å; F246-L315 HydrophobicContact CE1-CB 4.3Å; F246-L315 HydrophobicContact CE1-CD2 4.05Å; F246-L315 HydrophobicContact CE1-CG 4.26Å; F246-L316 HydrophobicContact CB-CD1 4.04Å; F246-L316 HydrophobicContact CD1-CB 4.27Å; F246-L316 HydrophobicContact CD1-CD1 4.08Å; F246-L316 HydrophobicContact CE1-CB 4.4Å; F246-L316 HydrophobicContact CG-CD1 4.3Å; F246-M319 HydrophobicContact CD1-SD 4.02Å; F246-Y338 HydrophobicContact CE1-CD1 4.47Å; F246-Y338 HydrophobicContact CE1-CE1 4.11Å; F246-Y338 HydrophobicContact CE2-CE1 4.08Å; F246-Y338 HydrophobicContact CZ-CD1 4.11Å; F246-Y338 AromaticContact CZ-CE1 3.39Å; F246-Y338 HydrophobicContact CZ-CE1 3.39Å; F246-Y338 HydrophobicContact CZ-CE2 4.39Å; F246-Y338 AromaticContact CZ-CZ 3.55Å |
| 247 | Y | 98.6 | Very high | 97.9 | Very high | 21 Ų | 21 | 13.9 Ų | 13.9 | 8% | 0.082 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -57.4 | -46.4 | 173.8 | 175 | -87.5 | 0 | 0 | 0 | 111.8 | G243 C244 I249 I250 S251 S253 L255 I301 L304 I305 L316 | G243-Y247 PolarHBondContact O-N 3.45Å; C244-Y247 PolarHBondContact O-N 2.72Å; Y247-I249 VanDerWaalsContact C-N 3.34Å; Y247-I249 PolarHBondContact O-N 2.86Å; Y247-I250 PolarHBondContact O-N 3.14Å; Y247-I250 VanDerWaalsContact O-N 3.14Å; Y247-S251 WeakPolarHBondContact CD1-OG 3.14Å; Y247-S251 WeakPolarHBondContact CE1-OG 3.37Å; Y247-S251 WeakPolarHBondContact O-CB 3.46Å; Y247-S251 PolarHBondContact O-N 3.14Å; Y247-S251 PolarHBondContact O-OG 2.85Å; Y247-S253 WeakPolarHBondContact CE1-O 3.38Å; Y247-L255 HydrophobicContact CD1-CB 3.42Å; Y247-L255 VanDerWaalsContact CD1-CB 3.42Å; Y247-L255 HydrophobicContact CD1-CD1 3.78Å; Y247-L255 HydrophobicContact CD1-CD2 4.46Å; Y247-L255 HydrophobicContact CD1-CG 4.04Å; Y247-L255 HydrophobicContact CD2-CD1 3.78Å; Y247-L255 HydrophobicContact CD2-CD2 4.44Å; Y247-L255 HydrophobicContact CE1-CB 3.88Å; Y247-L255 HydrophobicContact CE1-CD1 3.7Å; Y247-L255 HydrophobicContact CE1-CG 4.35Å; Y247-L255 HydrophobicContact CE2-CD1 3.7Å; Y247-L255 HydrophobicContact CG-CB 3.89Å; Y247-L255 HydrophobicContact CG-CD1 3.81Å; Y247-L255 HydrophobicContact CG-CD2 4.07Å; Y247-L255 HydrophobicContact CG-CG 4.11Å; Y247-I301 HydrophobicContact CD2-CG2 4.15Å; Y247-I301 HydrophobicContact CE2-CG2 4.44Å; Y247-L304 HydrophobicContact CE2-CB 3.88Å; Y247-L304 HydrophobicContact CE2-CD1 4.2Å; Y247-L304 WeakPolarHBondContact OH-CB 3.4Å; Y247-I305 HydrophobicContact CD2-CD1 4.24Å; Y247-I305 HydrophobicContact CD2-CG2 4.22Å; Y247-I305 HydrophobicContact CE2-CG1 4.46Å; Y247-I305 HydrophobicContact CE2-CG2 3.75Å; Y247-L316 HydrophobicContact CD2-CD2 4.31Å |
| 248 | E | 98.3 | Very high | 97.9 | Very high | 8 Ų | 8 | 14 Ų | 14 | 4% | 0.037 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -67.6 | -34.2 | -175.9 | -177.6 | 168.5 | 175.8 | 0 | 0 | 112.6 | I147 Y221 C244 V245 F246 I250 L252 S253 | I147-E248 HydrophobicContact CD1-CG 3.72Å; Y221-E248 VanDerWaalsContact CE1-OE2 3.3Å; Y221-E248 WeakPolarHBondContact CE1-OE2 2.99Å; Y221-E248 PolarHBondContact OH-OE2 3.03Å; C244-E248 WeakPolarHBondContact O-CB 2.92Å; C244-E248 PolarHBondContact O-N 2.82Å; V245-E248 PolarHBondContact O-N 2.81Å; F246-E248 VanDerWaalsContact C-N 3.32Å; F246-E248 PolarHBondContact O-N 2.84Å; E248-I250 VanDerWaalsContact C-N 3.31Å; E248-I250 PolarHBondContact O-N 3.12Å; E248-L252 WeakPolarHBondContact O-CA 3.44Å; E248-L252 PolarHBondContact O-N 3.42Å; E248-S253 WeakPolarHBondContact CA-O 3.44Å |
| 249 | I | 97.7 | Very high | 97.7 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.2 | -35.7 | 173 | -67.1 | 171 | 0 | 0 | 0 | 111.3 | I143 L154 I159 M163 V245 F246 Y247 | I143-I249 HydrophobicContact CG2-CD1 3.81Å; I143-I249 HydrophobicContact CG2-CG1 3.64Å; L154-I249 HydrophobicContact CD1-CG2 3.76Å; I159-I249 HydrophobicContact CB-CG2 4.34Å; I159-I249 HydrophobicContact CD1-CG2 4.18Å; I159-I249 HydrophobicContact CG1-CG2 3.83Å; I159-I249 HydrophobicContact CG2-CG2 3.91Å; M163-I249 HydrophobicContact SD-CD1 3.91Å; V245-I249 HydrophobicContact CG1-CD1 3.63Å; V245-I249 HydrophobicContact CG1-CG1 4.22Å; V245-I249 VanDerWaalsContact O-CG1 3.23Å; V245-I249 WeakPolarHBondContact O-CG1 3.44Å; V245-I249 PolarHBondContact O-N 3.13Å; F246-I249 PolarHBondContact O-N 3.34Å; Y247-I249 VanDerWaalsContact C-N 3.34Å; Y247-I249 PolarHBondContact O-N 2.86Å |
| 250 | I | 97.3 | Very high | 97.4 | Very high | 26 Ų | 26 | 22.7 Ų | 22.7 | 13% | 0.133 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -72.5 | -50 | 177.9 | -66.1 | 164.3 | 0 | 0 | 0 | 110.9 | I159 F246 Y247 E248 I305 | I159-I250 HydrophobicContact CD1-CG1 3.95Å; I159-I250 HydrophobicContact CG2-CG1 4.26Å; F246-I250 HydrophobicContact CD2-CD1 3.67Å; F246-I250 HydrophobicContact CD2-CG1 4.14Å; F246-I250 HydrophobicContact CE2-CD1 3.54Å; F246-I250 HydrophobicContact CE2-CG1 4.11Å; F246-I250 HydrophobicContact CG-CD1 4.49Å; F246-I250 HydrophobicContact CZ-CD1 4.25Å; F246-I250 WeakPolarHBondContact O-CG1 3.42Å; F246-I250 PolarHBondContact O-N 3.12Å; Y247-I250 PolarHBondContact O-N 3.14Å; Y247-I250 VanDerWaalsContact O-N 3.14Å; E248-I250 VanDerWaalsContact C-N 3.31Å; E248-I250 PolarHBondContact O-N 3.12Å; I250-I305 HydrophobicContact CD1-CD1 4.37Å; I250-I305 HydrophobicContact CG2-CB 4.31Å; I250-I305 HydrophobicContact CG2-CD1 4.47Å; I250-I305 HydrophobicContact CG2-CG2 3.89Å |
| 251 | S | 96.6 | Very high | 97 | Very high | 33 Ų | 33 | 26.3 Ų | 26.3 | 23% | 0.231 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -91 | -12.6 | -170.1 | 69.2 | 0 | 0 | 0 | 0 | 114.1 | Y247 S253 | Y247-S251 WeakPolarHBondContact CD1-OG 3.14Å; Y247-S251 WeakPolarHBondContact CE1-OG 3.37Å; Y247-S251 WeakPolarHBondContact O-CB 3.46Å; Y247-S251 PolarHBondContact O-N 3.14Å; Y247-S251 PolarHBondContact O-OG 2.85Å; S251-S253 PolarHBondContact O-N 3.19Å; S251-S253 PolarHBondContact OG-N 3.31Å; S251-S253 PolarHBondContact OG-O 2.88Å |
| 252 | L | 96.6 | Very high | 96.7 | Very high | 40 Ų | 40 | 31.5 Ų | 31.5 | 21% | 0.209 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 60.3 | 17.7 | -171 | -50.1 | 174.2 | 0 | 0 | 0 | 113.5 | I147 R150 E248 | I147-L252 HydrophobicContact CB-CD2 3.84Å; I147-L252 HydrophobicContact CG2-CD2 4.15Å; R150-L252 HydrophobicContact CB-CD1 3.85Å; R150-L252 HydrophobicContact CB-CD2 4.32Å; R150-L252 WeakPolarHBondContact O-CD1 3.34Å; E248-L252 WeakPolarHBondContact O-CA 3.44Å; E248-L252 PolarHBondContact O-N 3.42Å |
| 253 | S | 95.6 | Very high | 96.5 | Very high | 65 Ų | 65 | 33.3 Ų | 33.3 | 46% | 0.455 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -140.2 | 142.8 | -179 | -66.8 | 0 | 0 | 0 | 0 | 111.3 | Y247 E248 S251 | Y247-S253 WeakPolarHBondContact CE1-O 3.38Å; E248-S253 WeakPolarHBondContact CA-O 3.44Å; S251-S253 PolarHBondContact O-N 3.19Å; S251-S253 PolarHBondContact OG-N 3.31Å; S251-S253 PolarHBondContact OG-O 2.88Å |
| 254 | P | 97.2 | Very high | 96.3 | Very high | 36 Ų | 36 | 33.3 Ų | 33.3 | 23% | 0.234 | 19% | 0.189 | C | C | . | . | trans | -63.4 | 140.3 | 179.4 | 27 | -35.7 | 0 | 0 | 0 | 111.1 | W220 P257 | W220-P254 HydrophobicContact CD2-CB 4.48Å; W220-P254 HydrophobicContact CE3-CB 3.78Å; W220-P254 HydrophobicContact CE3-CG 4.09Å; W220-P254 HydrophobicContact CZ3-CB 4.13Å; W220-P254 HydrophobicContact CZ3-CG 3.95Å; P254-P257 HydrophobicContact CB-CB 4.37Å; P254-P257 HydrophobicContact CG-CB 3.9Å; P254-P257 HydrophobicContact CG-CG 4.31Å | ||
| 255 | L | 98.1 | Very high | 96.2 | Very high | 13 Ų | 13 | 33.5 Ų | 33.5 | 7% | 0.068 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -68.8 | -45.1 | -178.3 | -176 | 51.9 | 0 | 0 | 0 | 112.4 | Y247 P257 V271 L304 L320 | Y247-L255 HydrophobicContact CD1-CB 3.42Å; Y247-L255 VanDerWaalsContact CD1-CB 3.42Å; Y247-L255 HydrophobicContact CD1-CD1 3.78Å; Y247-L255 HydrophobicContact CD1-CD2 4.46Å; Y247-L255 HydrophobicContact CD1-CG 4.04Å; Y247-L255 HydrophobicContact CD2-CD1 3.78Å; Y247-L255 HydrophobicContact CD2-CD2 4.44Å; Y247-L255 HydrophobicContact CE1-CB 3.88Å; Y247-L255 HydrophobicContact CE1-CD1 3.7Å; Y247-L255 HydrophobicContact CE1-CG 4.35Å; Y247-L255 HydrophobicContact CE2-CD1 3.7Å; Y247-L255 HydrophobicContact CG-CB 3.89Å; Y247-L255 HydrophobicContact CG-CD1 3.81Å; Y247-L255 HydrophobicContact CG-CD2 4.07Å; Y247-L255 HydrophobicContact CG-CG 4.11Å; L255-P257 WeakPolarHBondContact O-CD 3.35Å; L255-V271 HydrophobicContact CD1-CG1 4.4Å; L255-V271 HydrophobicContact CD1-CG2 4.45Å; L255-L304 HydrophobicContact CD1-CD1 4.02Å; L255-L320 HydrophobicContact CD2-CD1 3.48Å; L255-L320 VanDerWaalsContact CD2-CD1 3.48Å; L255-L320 HydrophobicContact CD2-CD2 4.43Å |
| 256 | F | 98 | Very high | 96 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -128.8 | 74.7 | -174.3 | -53.4 | -59.6 | 0 | 0 | 0 | 111.5 | W220 W240 G258 Q264 K267 I268 V271 L272 L320 | W220-F256 WeakPolarHBondContact CA-O 3.12Å; W220-F256 WeakPolarHBondContact CB-O 3.23Å; W240-F256 HydrophobicContact CH2-CE2 4.14Å; W240-F256 HydrophobicContact CH2-CZ 4.43Å; W240-F256 HydrophobicContact CZ2-CD2 4.08Å; W240-F256 AromaticContact CZ2-CE2 3.46Å; W240-F256 HydrophobicContact CZ2-CE2 3.46Å; W240-F256 VanDerWaalsContact CZ2-CE2 3.46Å; W240-F256 HydrophobicContact CZ2-CZ 4.14Å; F256-G258 VanDerWaalsContact C-N 3.3Å; F256-G258 PolarHBondContact O-N 3.01Å; F256-Q264 PolarHBondContact O-NE2 3.03Å; F256-Q264 PolarHBondContact O-OE1 3.12Å; F256-K267 HydrophobicContact CB-CB 4.44Å; F256-K267 HydrophobicContact CD1-CB 4.39Å; F256-K267 WeakPolarHBondContact CD1-O 3.22Å; F256-I268 HydrophobicContact CB-CG1 4.44Å; F256-I268 HydrophobicContact CD1-CB 4.5Å; F256-I268 HydrophobicContact CD1-CG1 3.96Å; F256-I268 HydrophobicContact CD2-CG1 4.05Å; F256-I268 HydrophobicContact CE1-CB 4.37Å; F256-I268 HydrophobicContact CE1-CG1 4.14Å; F256-I268 HydrophobicContact CE2-CG1 4.23Å; F256-I268 HydrophobicContact CG-CG1 3.9Å; F256-I268 HydrophobicContact CZ-CG1 4.27Å; F256-V271 HydrophobicContact CD1-CG2 4.28Å; F256-V271 HydrophobicContact CE1-CB 3.81Å; F256-V271 HydrophobicContact CE1-CG1 4.44Å; F256-V271 HydrophobicContact CE1-CG2 3.75Å; F256-L272 HydrophobicContact CZ-CD1 4.4Å; F256-L272 HydrophobicContact CZ-CG 4.36Å; F256-L320 HydrophobicContact CE2-CD2 4.35Å | ||
| 257 | P | 96.9 | Very high | 95.9 | Very high | 45 Ų | 45 | 38 Ų | 38 | 29% | 0.292 | 21% | 0.213 | S | C | . | . | trans | -81.3 | 67 | -176.1 | 32 | -35.3 | 0 | 0 | 0 | 112.9 | W220 P254 L255 K267 | W220-P257 HydrophobicContact CD2-CB 4.31Å; W220-P257 HydrophobicContact CZ2-CB 4.2Å; P254-P257 HydrophobicContact CB-CB 4.37Å; P254-P257 HydrophobicContact CG-CB 3.9Å; P254-P257 HydrophobicContact CG-CG 4.31Å; L255-P257 WeakPolarHBondContact O-CD 3.35Å; P257-K267 HydrophobicContact CG-CD 4.42Å; P257-K267 WeakPolarHBondContact O-CD 3.21Å; P257-K267 WeakPolarHBondContact O-CE 3.26Å; P257-K267 PolarHBondContact O-NZ 3.5Å | ||
| 258 | G | 96.4 | Very high | 95.9 | Very high | 2 Ų | 2 | 37 Ų | 37 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | trans | -73.5 | 135.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | R219 W220 F256 D263 | R219-G258 PolarHBondContact NH1-O 3.34Å; W220-G258 PolarHBondContact NE1-O 3.48Å; W220-G258 VanDerWaalsContact NE1-O 3.16Å; F256-G258 VanDerWaalsContact C-N 3.3Å; F256-G258 PolarHBondContact O-N 3.01Å; G258-D263 WeakPolarHBondContact CA-OD2 3.43Å | ||
| 259 | T | 94.9 | Very high | 95.8 | Very high | 104 Ų | 104 | 36.8 Ų | 36.8 | 64% | 0.638 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -80.4 | -32.9 | 178.7 | 58.1 | 0 | 0 | 0 | 0 | 112.7 | R219 D263 | R219-T259 PolarHBondContact NH1-O 3.44Å; R219-T259 VanDerWaalsContact NH1-O 3.09Å; T259-D263 WeakPolarHBondContact CB-OD2 3.47Å; T259-D263 PolarHBondContact N-OD2 3.34Å; T259-D263 PolarHBondContact OG1-OD2 2.93Å |
| 260 | N | 92.3 | Very high | 95.7 | Very high | 79 Ų | 79 | 40.2 Ų | 40.2 | 42% | 0.422 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -142.7 | 178.5 | 173.7 | 62.9 | 62.6 | 0 | 0 | 0 | 109.9 | R219 L262 D263 Q264 | R219-N260 VanDerWaalsContact CD-C 3.43Å; R219-N260 WeakPolarHBondContact CD-O 3.44Å; N260-L262 PolarHBondContact OD1-N 3.41Å; N260-L262 VanDerWaalsContact OD1-N 3.13Å; N260-D263 PolarHBondContact O-N 2.68Å; N260-D263 WeakPolarHBondContact OD1-CB 3Å; N260-D263 PolarHBondContact OD1-N 3.18Å; N260-Q264 WeakPolarHBondContact O-CB 3.23Å; N260-Q264 PolarHBondContact O-N 3.07Å |
| 261 | E | 90.1 | Very high | 95.8 | Very high | 77 Ų | 77 | 39.6 Ų | 39.6 | 36% | 0.36 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.6 | -40.4 | -174.5 | -65.5 | -173.5 | 153 | 0 | 0 | 113.2 | R222 Q264 V265 | R222-E261 IonicContact NH1-OE1 3.86Å; R222-E261 PolarHBondContact NH1-OE1 3.27Å; R222-E261 VanDerWaalsContact NH1-OE1 3.15Å; E261-Q264 WeakPolarHBondContact O-CB 3.17Å; E261-Q264 PolarHBondContact O-N 3.16Å; E261-V265 WeakPolarHBondContact O-CG2 3.41Å; E261-V265 PolarHBondContact O-N 2.86Å |
| 262 | L | 91.4 | Very high | 95.8 | Very high | 109 Ų | 109 | 40.2 Ų | 40.2 | 57% | 0.571 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -66.3 | -42.2 | 176.4 | -179 | 62.3 | 0 | 0 | 0 | 111.8 | N260 Q264 V265 T266 F293 | N260-L262 PolarHBondContact OD1-N 3.41Å; N260-L262 VanDerWaalsContact OD1-N 3.13Å; L262-Q264 VanDerWaalsContact C-N 3.32Å; L262-V265 PolarHBondContact O-N 3.14Å; L262-T266 PolarHBondContact O-N 3.2Å; L262-T266 PolarHBondContact O-OG1 2.84Å; L262-F293 HydrophobicContact CD1-CE1 4.34Å |
| 263 | D | 94.6 | Very high | 95.8 | Very high | 37 Ų | 37 | 38.5 Ų | 38.5 | 20% | 0.198 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.4 | -35.8 | 175 | -177.7 | 43.3 | 0 | 0 | 0 | 111.6 | G258 T259 N260 T266 K267 | G258-D263 WeakPolarHBondContact CA-OD2 3.43Å; T259-D263 WeakPolarHBondContact CB-OD2 3.47Å; T259-D263 PolarHBondContact N-OD2 3.34Å; T259-D263 PolarHBondContact OG1-OD2 2.93Å; N260-D263 PolarHBondContact O-N 2.68Å; N260-D263 WeakPolarHBondContact OD1-CB 3Å; N260-D263 PolarHBondContact OD1-N 3.18Å; D263-T266 PolarHBondContact O-N 3.32Å; D263-K267 WeakPolarHBondContact O-CG 3.46Å; D263-K267 PolarHBondContact O-N 3.31Å; D263-K267 WeakPolarHBondContact OD1-CE 3.44Å; D263-K267 WeakPolarHBondContact OD2-CE 3.41Å |
| 264 | Q | 96.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.1 | -48.1 | 173.4 | -174.8 | 69.2 | 31.7 | 0 | 0 | 111.6 | R219 L227 F256 N260 E261 L262 T266 K267 I268 | R219-Q264 HydrophobicContact CG-CB 3.84Å; R219-Q264 HydrophobicContact CG-CG 3.77Å; R219-Q264 VanDerWaalsContact O-CD 3.28Å; R219-Q264 PolarHBondContact O-NE2 3.04Å; L227-Q264 HydrophobicContact CD1-CB 4.28Å; L227-Q264 HydrophobicContact CD1-CG 3.54Å; L227-Q264 HydrophobicContact CD2-CG 4.33Å; F256-Q264 PolarHBondContact O-NE2 3.03Å; F256-Q264 PolarHBondContact O-OE1 3.12Å; N260-Q264 WeakPolarHBondContact O-CB 3.23Å; N260-Q264 PolarHBondContact O-N 3.07Å; E261-Q264 WeakPolarHBondContact O-CB 3.17Å; E261-Q264 PolarHBondContact O-N 3.16Å; L262-Q264 VanDerWaalsContact C-N 3.32Å; Q264-T266 VanDerWaalsContact C-N 3.3Å; Q264-T266 PolarHBondContact O-N 3.48Å; Q264-K267 PolarHBondContact O-N 2.87Å; Q264-I268 HydrophobicContact CG-CD1 4.42Å; Q264-I268 WeakPolarHBondContact O-CG1 3.21Å; Q264-I268 PolarHBondContact O-N 2.98Å |
| 265 | V | 95 | Very high | 95.4 | Very high | 6 Ų | 6 | 35.6 Ų | 35.6 | 4% | 0.036 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.4 | -41.6 | 175.9 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | L227 L228 E261 L262 K267 I268 H269 F293 | L227-V265 HydrophobicContact CB-CG2 4Å; L227-V265 HydrophobicContact CD1-CG2 4.14Å; L228-V265 HydrophobicContact CD2-CG1 4.29Å; L228-V265 HydrophobicContact CD2-CG2 3.92Å; E261-V265 WeakPolarHBondContact O-CG2 3.41Å; E261-V265 PolarHBondContact O-N 2.86Å; L262-V265 PolarHBondContact O-N 3.14Å; V265-K267 PolarHBondContact O-N 3.46Å; V265-I268 WeakPolarHBondContact O-CB 3.38Å; V265-I268 PolarHBondContact O-N 3.25Å; V265-H269 WeakPolarHBondContact CG1-CE1 3.32Å; V265-H269 PolarHBondContact O-N 3.41Å; V265-F293 HydrophobicContact CG1-CE1 3.89Å; V265-F293 HydrophobicContact CG1-CE2 4.14Å; V265-F293 HydrophobicContact CG1-CZ 3.62Å |
| 266 | T | 95.1 | Very high | 95 | Very high | 39 Ų | 39 | 39.3 Ų | 39.3 | 24% | 0.239 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.2 | -46.8 | 176.9 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | L262 D263 Q264 I268 H269 D270 | L262-T266 PolarHBondContact O-N 3.2Å; L262-T266 PolarHBondContact O-OG1 2.84Å; D263-T266 PolarHBondContact O-N 3.32Å; Q264-T266 VanDerWaalsContact C-N 3.3Å; Q264-T266 PolarHBondContact O-N 3.48Å; T266-I268 VanDerWaalsContact C-N 3.3Å; T266-I268 PolarHBondContact O-N 3.45Å; T266-H269 PolarHBondContact O-N 2.8Å; T266-H269 VanDerWaalsContact O-N 3.13Å; T266-D270 PolarHBondContact O-N 2.91Å |
| 267 | K | 97.4 | Very high | 94.5 | Very high | 55 Ų | 55 | 43.9 Ų | 43.9 | 24% | 0.239 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.3 | -34.8 | 177 | -73.1 | 170 | -173.2 | -82.6 | 0 | 113 | F256 P257 D263 Q264 V265 D270 V271 | F256-K267 HydrophobicContact CB-CB 4.44Å; F256-K267 HydrophobicContact CD1-CB 4.39Å; F256-K267 WeakPolarHBondContact CD1-O 3.22Å; P257-K267 HydrophobicContact CG-CD 4.42Å; P257-K267 WeakPolarHBondContact O-CD 3.21Å; P257-K267 WeakPolarHBondContact O-CE 3.26Å; P257-K267 PolarHBondContact O-NZ 3.5Å; D263-K267 WeakPolarHBondContact O-CG 3.46Å; D263-K267 PolarHBondContact O-N 3.31Å; D263-K267 WeakPolarHBondContact OD1-CE 3.44Å; D263-K267 WeakPolarHBondContact OD2-CE 3.41Å; Q264-K267 PolarHBondContact O-N 2.87Å; V265-K267 PolarHBondContact O-N 3.46Å; K267-D270 PolarHBondContact O-N 3.22Å; K267-V271 PolarHBondContact O-N 2.99Å |
| 268 | I | 97.8 | Very high | 94 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.4 | -49.3 | 172.6 | -67.5 | 168.3 | 0 | 0 | 0 | 109.7 | L227 W240 F256 Q264 V265 T266 D270 V271 L272 Y322 | L227-I268 HydrophobicContact CD1-CD1 3.72Å; W240-I268 HydrophobicContact CH2-CG2 3.94Å; W240-I268 HydrophobicContact CZ2-CD1 3.93Å; W240-I268 HydrophobicContact CZ2-CG1 4.07Å; W240-I268 HydrophobicContact CZ2-CG2 4.26Å; F256-I268 HydrophobicContact CB-CG1 4.44Å; F256-I268 HydrophobicContact CD1-CB 4.5Å; F256-I268 HydrophobicContact CD1-CG1 3.96Å; F256-I268 HydrophobicContact CD2-CG1 4.05Å; F256-I268 HydrophobicContact CE1-CB 4.37Å; F256-I268 HydrophobicContact CE1-CG1 4.14Å; F256-I268 HydrophobicContact CE2-CG1 4.23Å; F256-I268 HydrophobicContact CG-CG1 3.9Å; F256-I268 HydrophobicContact CZ-CG1 4.27Å; Q264-I268 HydrophobicContact CG-CD1 4.42Å; Q264-I268 WeakPolarHBondContact O-CG1 3.21Å; Q264-I268 PolarHBondContact O-N 2.98Å; V265-I268 WeakPolarHBondContact O-CB 3.38Å; V265-I268 PolarHBondContact O-N 3.25Å; T266-I268 VanDerWaalsContact C-N 3.3Å; T266-I268 PolarHBondContact O-N 3.45Å; I268-D270 VanDerWaalsContact C-N 3.33Å; I268-D270 PolarHBondContact O-N 2.98Å; I268-V271 PolarHBondContact O-N 3.44Å; I268-L272 HydrophobicContact CG2-CD1 4.14Å; I268-L272 PolarHBondContact O-N 3.25Å; I268-Y322 HydrophobicContact CG2-CE2 3.68Å |
| 269 | H | 96.3 | Very high | 93.6 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.019 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.5 | -34.8 | 178.3 | -63.4 | 160.5 | 0 | 0 | 0 | 113.4 | V265 T266 V271 G273 P275 F293 Y322 | V265-H269 WeakPolarHBondContact CG1-CE1 3.32Å; V265-H269 PolarHBondContact O-N 3.41Å; T266-H269 PolarHBondContact O-N 2.8Å; T266-H269 VanDerWaalsContact O-N 3.13Å; H269-V271 PolarHBondContact O-N 3.47Å; H269-G273 CarbonylContact O-C 3.59Å; H269-G273 WeakPolarHBondContact O-CA 3.3Å; H269-G273 PolarHBondContact O-N 2.79Å; H269-P275 WeakPolarHBondContact NE2-CD 3.47Å; H269-F293 AromaticContact CE1-CD1 3.85Å; H269-F293 AromaticContact CE1-CD2 3.6Å; H269-F293 AromaticContact CE1-CE2 3.95Å; H269-F293 AromaticContact CE1-CG 3.53Å; H269-Y322 PolarHBondContact CD2-OH 3.44Å; H269-Y322 VanDerWaalsContact CD2-OH 3.24Å; H269-Y322 PolarHBondContact NE2-OH 3.35Å |
| 270 | D | 96.8 | Very high | 93.2 | Very high | 74 Ų | 74 | 41.2 Ų | 41.2 | 40% | 0.396 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.9 | -24.9 | 179.3 | -68 | -19.9 | 0 | 0 | 0 | 112.2 | T266 K267 I268 R296 S299 | T266-D270 PolarHBondContact O-N 2.91Å; K267-D270 PolarHBondContact O-N 3.22Å; I268-D270 VanDerWaalsContact C-N 3.33Å; I268-D270 PolarHBondContact O-N 2.98Å; D270-R296 IonicContact OD1-NH1 2.84Å; D270-R296 PolarHBondContact OD1-NH1 2.92Å; D270-S299 WeakPolarHBondContact O-CB 3.08Å; D270-S299 PolarHBondContact O-N 2.82Å; D270-S299 PolarHBondContact O-OG 3.49Å |
| 271 | V | 97.8 | Very high | 92.9 | Very high | 13 Ų | 13 | 43 Ų | 43 | 8% | 0.079 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -96.1 | -52.7 | 175.3 | -175 | 0 | 0 | 0 | 0 | 112 | L255 F256 K267 I268 H269 S299 G300 I301 L304 | L255-V271 HydrophobicContact CD1-CG1 4.4Å; L255-V271 HydrophobicContact CD1-CG2 4.45Å; F256-V271 HydrophobicContact CD1-CG2 4.28Å; F256-V271 HydrophobicContact CE1-CB 3.81Å; F256-V271 HydrophobicContact CE1-CG1 4.44Å; F256-V271 HydrophobicContact CE1-CG2 3.75Å; K267-V271 PolarHBondContact O-N 2.99Å; I268-V271 PolarHBondContact O-N 3.44Å; H269-V271 PolarHBondContact O-N 3.47Å; V271-S299 WeakPolarHBondContact CA-OG 3.42Å; V271-S299 PolarHBondContact O-N 2.98Å; V271-G300 WeakPolarHBondContact O-CA 3.35Å; V271-G300 PolarHBondContact O-N 2.78Å; V271-I301 HydrophobicContact CG1-CG1 3.86Å; V271-L304 HydrophobicContact CG1-CD1 3.84Å; V271-L304 HydrophobicContact CG2-CD1 4.02Å |
| 272 | L | 97.1 | Very high | 92.7 | Very high | 46 Ų | 46 | 44.3 Ų | 44.3 | 24% | 0.241 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -91.4 | -14.9 | -171.4 | -58.4 | -174 | 0 | 0 | 0 | 113.8 | W240 F256 I268 I301 Y322 | W240-L272 HydrophobicContact CH2-CD1 3.51Å; W240-L272 HydrophobicContact CZ3-CD1 3.9Å; F256-L272 HydrophobicContact CZ-CD1 4.4Å; F256-L272 HydrophobicContact CZ-CG 4.36Å; I268-L272 HydrophobicContact CG2-CD1 4.14Å; I268-L272 PolarHBondContact O-N 3.25Å; L272-I301 HydrophobicContact CD2-CD1 3.95Å; L272-I301 HydrophobicContact CD2-CG1 4.11Å; L272-Y322 HydrophobicContact CD1-CD2 4.26Å |
| 273 | G | 96.3 | Very high | 92.4 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 4% | 0.041 | 22% | 0.218 | C | C | . | . | trans | 87 | 167 | -168 | 0 | 0 | 0 | 0 | 0 | 112.1 | H269 R296 | H269-G273 CarbonylContact O-C 3.59Å; H269-G273 WeakPolarHBondContact O-CA 3.3Å; H269-G273 PolarHBondContact O-N 2.79Å; G273-R296 CarbonylContact C-O 3.49Å; G273-R296 WeakPolarHBondContact CA-O 3.45Å | ||
| 274 | T | 93.9 | Very high | 91.6 | Very high | 24 Ų | 24 | 42.8 Ų | 42.8 | 15% | 0.147 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -72.9 | 131.4 | 171 | -49 | 0 | 0 | 0 | 0 | 107.8 | L280 F293 P294 R296 | T274-L280 HydrophobicContact CG2-CD1 4.3Å; T274-F293 HydrophobicContact CG2-CB 3.84Å; T274-P294 PolarHBondContact OG1-O 2.71Å; T274-R296 PolarHBondContact N-O 3.23Å; T274-R296 PolarHBondContact OG1-N 3.34Å |
| 275 | P | 91.9 | Very high | 90.7 | Very high | 15 Ų | 15 | 50.1 Ų | 50.1 | 10% | 0.097 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 155.7 | 175.1 | 26 | -34.7 | 0 | 0 | 0 | 110.9 | H269 L279 L280 Y322 | H269-P275 WeakPolarHBondContact NE2-CD 3.47Å; P275-L279 HydrophobicContact CB-CB 4.33Å; P275-L279 HydrophobicContact CB-CD2 3.81Å; P275-L279 HydrophobicContact CB-CG 4.2Å; P275-L280 HydrophobicContact CB-CG 4.43Å; P275-L280 HydrophobicContact CG-CD1 4.44Å; P275-L280 HydrophobicContact CG-CD2 3.53Å; P275-L280 HydrophobicContact CG-CG 3.77Å; P275-Y322 HydrophobicContact CB-CD1 4.02Å; P275-Y322 HydrophobicContact CB-CD2 4.34Å; P275-Y322 HydrophobicContact CB-CE1 4.06Å; P275-Y322 HydrophobicContact CB-CE2 4.39Å; P275-Y322 HydrophobicContact CB-CG 4.17Å; P275-Y322 HydrophobicContact CG-CD1 4.15Å; P275-Y322 HydrophobicContact CG-CE1 3.66Å; P275-Y322 HydrophobicContact CG-CE2 4.15Å |
| 276 | D | 89.4 | Confident | 89.8 | Confident | 91 Ų | 91 | 51.5 Ų | 51.5 | 49% | 0.487 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 162.7 | 177.6 | 66.1 | 73.7 | 0 | 0 | 0 | 112.2 | S278 L279 L280 | D276-S278 PolarHBondContact O-N 3.22Å; D276-S278 WeakPolarHBondContact OD1-CA 3.45Å; D276-S278 VanDerWaalsContact OD1-CB 3.32Å; D276-S278 WeakPolarHBondContact OD1-CB 3.48Å; D276-S278 PolarHBondContact OD1-N 3.23Å; D276-S278 PolarHBondContact OD1-OG 2.95Å; D276-L279 PolarHBondContact O-N 2.98Å; D276-L279 PolarHBondContact OD1-N 3.29Å; D276-L280 PolarHBondContact O-N 3.32Å |
| 277 | S | 86.3 | Confident | 89 | Confident | 97 Ų | 97 | 51 Ų | 51 | 68% | 0.678 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -60.5 | -31.7 | -176.6 | 52.9 | 0 | 0 | 0 | 0 | 113.2 | Q281 | S277-Q281 WeakPolarHBondContact O-CB 3.31Å; S277-Q281 PolarHBondContact O-N 3.48Å |
| 278 | S | 88.1 | Confident | 87.3 | Confident | 66 Ų | 66 | 52.9 Ų | 52.9 | 46% | 0.462 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -70.9 | -43.3 | -179.8 | 79.8 | 0 | 0 | 0 | 0 | 111.2 | D276 Q281 K282 | D276-S278 PolarHBondContact O-N 3.22Å; D276-S278 WeakPolarHBondContact OD1-CA 3.45Å; D276-S278 VanDerWaalsContact OD1-CB 3.32Å; D276-S278 WeakPolarHBondContact OD1-CB 3.48Å; D276-S278 PolarHBondContact OD1-N 3.23Å; D276-S278 PolarHBondContact OD1-OG 2.95Å; S278-Q281 WeakPolarHBondContact O-CB 3.26Å; S278-Q281 PolarHBondContact O-N 3Å; S278-K282 PolarHBondContact O-N 3.33Å |
| 279 | L | 87.9 | Confident | 85.7 | Confident | 11 Ų | 11 | 58.5 Ų | 58.5 | 6% | 0.058 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68 | -40.2 | 176 | -179.3 | 56.3 | 0 | 0 | 0 | 111.6 | P275 D276 Q281 K282 F283 Y322 D323 | P275-L279 HydrophobicContact CB-CB 4.33Å; P275-L279 HydrophobicContact CB-CD2 3.81Å; P275-L279 HydrophobicContact CB-CG 4.2Å; D276-L279 PolarHBondContact O-N 2.98Å; D276-L279 PolarHBondContact OD1-N 3.29Å; L279-Q281 VanDerWaalsContact C-N 3.26Å; L279-Q281 PolarHBondContact O-N 3.48Å; L279-K282 HydrophobicContact CD1-CD 4.1Å; L279-K282 WeakPolarHBondContact O-CB 3.48Å; L279-K282 PolarHBondContact O-N 2.96Å; L279-K282 VanDerWaalsContact O-N 3.17Å; L279-F283 HydrophobicContact CD1-CE2 4.07Å; L279-F283 HydrophobicContact CD1-CZ 4.03Å; L279-F283 HydrophobicContact CG-CE2 3.98Å; L279-F283 HydrophobicContact CG-CZ 4.4Å; L279-F283 PolarHBondContact O-N 3.04Å; L279-Y322 HydrophobicContact CD2-CD1 3.92Å; L279-Y322 HydrophobicContact CD2-CG 4.13Å; L279-D323 HydrophobicContact CD1-CB 3.82Å; L279-D323 HydrophobicContact CD2-CB 4.12Å |
| 280 | L | 85.8 | Confident | 84.4 | Confident | 18 Ų | 18 | 69 Ų | 69 | 9% | 0.094 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.7 | -39.2 | 172 | -74.9 | 174.6 | 0 | 0 | 0 | 111.8 | T274 P275 D276 K282 F283 R284 F293 | T274-L280 HydrophobicContact CG2-CD1 4.3Å; P275-L280 HydrophobicContact CB-CG 4.43Å; P275-L280 HydrophobicContact CG-CD1 4.44Å; P275-L280 HydrophobicContact CG-CD2 3.53Å; P275-L280 HydrophobicContact CG-CG 3.77Å; D276-L280 PolarHBondContact O-N 3.32Å; L280-K282 VanDerWaalsContact C-N 3.34Å; L280-F283 PolarHBondContact O-N 3.5Å; L280-R284 VanDerWaalsContact O-CG 3.32Å; L280-R284 WeakPolarHBondContact O-CG 3.34Å; L280-R284 PolarHBondContact O-N 3.33Å; L280-F293 HydrophobicContact CD2-CD2 4.07Å; L280-F293 HydrophobicContact CD2-CE2 4.45Å |
| 281 | Q | 85.2 | Confident | 83.2 | Confident | 115 Ų | 115 | 67.8 Ų | 67.8 | 54% | 0.537 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.6 | -37.7 | 176.1 | -171.5 | 173.9 | 7.7 | 0 | 0 | 112.1 | S277 S278 L279 F283 R284 Q285 | S277-Q281 WeakPolarHBondContact O-CB 3.31Å; S277-Q281 PolarHBondContact O-N 3.48Å; S278-Q281 WeakPolarHBondContact O-CB 3.26Å; S278-Q281 PolarHBondContact O-N 3Å; L279-Q281 VanDerWaalsContact C-N 3.26Å; L279-Q281 PolarHBondContact O-N 3.48Å; Q281-F283 PolarHBondContact O-N 3.05Å; Q281-R284 PolarHBondContact O-N 2.94Å; Q281-Q285 WeakPolarHBondContact O-CG 3.28Å; Q281-Q285 PolarHBondContact O-N 3.31Å |
| 282 | K | 85.9 | Confident | 82.1 | Confident | 105 Ų | 105 | 74 Ų | 74 | 46% | 0.457 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -57.2 | -47.5 | 172.3 | -65 | -177.8 | -171.7 | 179.8 | 0 | 111.3 | S278 L279 L280 R284 Q285 D323 | S278-K282 PolarHBondContact O-N 3.33Å; L279-K282 HydrophobicContact CD1-CD 4.1Å; L279-K282 WeakPolarHBondContact O-CB 3.48Å; L279-K282 PolarHBondContact O-N 2.96Å; L279-K282 VanDerWaalsContact O-N 3.17Å; L280-K282 VanDerWaalsContact C-N 3.34Å; K282-R284 PolarHBondContact O-N 2.62Å; K282-Q285 WeakPolarHBondContact O-CB 3.44Å; K282-Q285 PolarHBondContact O-N 2.83Å; K282-D323 IonicContact NZ-OD2 3.69Å; K282-D323 PolarHBondContact NZ-OD2 2.65Å |
| 283 | F | 85.1 | Confident | 81.5 | Confident | 15 Ų | 15 | 73 Ų | 73 | 7% | 0.066 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.6 | -35.8 | 178.1 | -64.4 | -42.2 | 0 | 0 | 0 | 113.3 | E225 L228 T229 L279 L280 Q281 Q285 S286 R287 Y322 | E225-F283 HydrophobicContact CB-CD1 4.44Å; E225-F283 HydrophobicContact CB-CE1 3.77Å; E225-F283 HydrophobicContact CB-CZ 4.42Å; L228-F283 HydrophobicContact CB-CB 4.21Å; L228-F283 HydrophobicContact CB-CD2 4.26Å; L228-F283 HydrophobicContact CB-CG 4.2Å; L228-F283 HydrophobicContact CD1-CD2 3.83Å; L228-F283 HydrophobicContact CD1-CE2 4.09Å; T229-F283 HydrophobicContact CG2-CB 4.3Å; T229-F283 HydrophobicContact CG2-CD1 3.71Å; T229-F283 HydrophobicContact CG2-CG 4.37Å; L279-F283 HydrophobicContact CD1-CE2 4.07Å; L279-F283 HydrophobicContact CD1-CZ 4.03Å; L279-F283 HydrophobicContact CG-CE2 3.98Å; L279-F283 HydrophobicContact CG-CZ 4.4Å; L279-F283 PolarHBondContact O-N 3.04Å; L280-F283 PolarHBondContact O-N 3.5Å; Q281-F283 PolarHBondContact O-N 3.05Å; F283-Q285 PolarHBondContact O-N 3.38Å; F283-S286 PolarHBondContact O-N 3.25Å; F283-R287 PolarHBondContact O-N 2.69Å; F283-Y322 AromaticContact CE2-CD1 3.83Å; F283-Y322 HydrophobicContact CE2-CD1 3.83Å; F283-Y322 AromaticContact CE2-CE1 3.83Å; F283-Y322 HydrophobicContact CE2-CE1 3.83Å; F283-Y322 HydrophobicContact CZ-CD1 4.26Å |
| 284 | R | 79.3 | Confident | 81.1 | Confident | 100 Ų | 100 | 76.5 Ų | 76.5 | 38% | 0.377 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.5 | -31.9 | 176 | -75 | 172 | 179.5 | 169.7 | -1 | 112.9 | L280 Q281 K282 S286 R287 F291 | L280-R284 VanDerWaalsContact O-CG 3.32Å; L280-R284 WeakPolarHBondContact O-CG 3.34Å; L280-R284 PolarHBondContact O-N 3.33Å; Q281-R284 PolarHBondContact O-N 2.94Å; K282-R284 PolarHBondContact O-N 2.62Å; R284-S286 PolarHBondContact O-N 3.49Å; R284-R287 PolarHBondContact O-N 3.11Å; R284-R287 VanDerWaalsContact O-O 3.06Å; R284-F291 PolarHBondContact NE-O 2.9Å; R284-F291 PolarHBondContact NH2-O 2.84Å |
| 285 | Q | 76.7 | Confident | 80.9 | Confident | 154 Ų | 154 | 81.4 Ų | 81.4 | 72% | 0.72 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -22.9 | 176.3 | -68.3 | 170.3 | 0.3 | 0 | 0 | 112.3 | Q281 K282 F283 | Q281-Q285 WeakPolarHBondContact O-CG 3.28Å; Q281-Q285 PolarHBondContact O-N 3.31Å; K282-Q285 WeakPolarHBondContact O-CB 3.44Å; K282-Q285 PolarHBondContact O-N 2.83Å; F283-Q285 PolarHBondContact O-N 3.38Å |
| 286 | S | 76.6 | Confident | 80.9 | Confident | 34 Ų | 34 | 85.9 Ų | 85.9 | 24% | 0.238 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | 10.7 | -176.4 | -56.2 | 0 | 0 | 0 | 0 | 113.6 | D230 F283 R284 | D230-S286 WeakPolarHBondContact CB-O 3.46Å; D230-S286 PolarHBondContact N-O 3.06Å; F283-S286 PolarHBondContact O-N 3.25Å; R284-S286 PolarHBondContact O-N 3.49Å |
| 287 | R | 76.9 | Confident | 81 | Confident | 29 Ų | 29 | 91.5 Ų | 91.5 | 11% | 0.109 | 47% | 0.465 | C | S | . | . | trans | -144.8 | 136.8 | 176.1 | 174.2 | 163.3 | -85.7 | -178 | -1.7 | 113.6 | E214 L227 L228 T229 D230 F283 R284 I289 F291 | E214-R287 IonicContact OE2-CZ 2.76Å; E214-R287 IonicContact OE2-NH2 2.96Å; E214-R287 PolarHBondContact OE2-NH2 3.09Å; L227-R287 PolarHBondContact O-NH1 3.27Å; L228-R287 WeakPolarHBondContact O-CD 3.35Å; T229-R287 PolarHBondContact O-NH2 3.43Å; D230-R287 VanDerWaalsContact OD1-CG 3.24Å; D230-R287 WeakPolarHBondContact OD1-CG 3.47Å; D230-R287 IonicContact OD1-CZ 3.84Å; D230-R287 IonicContact OD1-NE 3.86Å; D230-R287 PolarHBondContact OD1-NE 3.45Å; D230-R287 IonicContact OD1-NH2 2.69Å; D230-R287 VanDerWaalsContact OD2-CA 3.29Å; D230-R287 WeakPolarHBondContact OD2-CA 3.34Å; F283-R287 PolarHBondContact O-N 2.69Å; R284-R287 PolarHBondContact O-N 3.11Å; R284-R287 VanDerWaalsContact O-O 3.06Å; R287-I289 VanDerWaalsContact C-N 3.33Å; R287-I289 HydrophobicContact CG-CB 4.33Å; R287-I289 PolarHBondContact O-N 3.33Å; R287-F291 HydrophobicContact CG-CE2 4.42Å | ||
| 288 | A | 61.4 | Low | 81.5 | Confident | 94 Ų | 94 | 88.2 Ų | 88.2 | 78% | 0.777 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -68.4 | -28.8 | -179 | 0 | 0 | 0 | 0 | 0 | 113.8 | D230 | D230-A288 PolarHBondContact OD2-N 3.49Š|
| 289 | I | 65.9 | Low | 81.9 | Confident | 119 Ų | 119 | 87.2 Ų | 87.2 | 61% | 0.61 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -90.7 | 129.2 | -178.4 | -61.9 | 172.3 | 0 | 0 | 0 | 110.7 | R287 F291 | R287-I289 VanDerWaalsContact C-N 3.33Å; R287-I289 HydrophobicContact CG-CB 4.33Å; R287-I289 PolarHBondContact O-N 3.33Å; I289-F291 PolarHBondContact O-N 3.44Å |
| 290 | R | 68.1 | Low | 82.3 | Confident | 226 Ų | 226 | 87.4 Ų | 87.4 | 85% | 0.853 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -75.4 | 123.6 | 175.2 | -74.6 | -173.9 | 170.6 | -167.9 | -1.7 | 111.2 | ||
| 291 | F | 70.8 | Confident | 82.8 | Confident | 47 Ų | 47 | 86.6 Ų | 86.6 | 21% | 0.206 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -92.8 | 129.9 | 163.4 | -62.2 | -62.7 | 0 | 0 | 0 | 111.1 | L228 R284 R287 I289 F293 | L228-F291 HydrophobicContact CB-CE2 4.35Å; L228-F291 HydrophobicContact CD2-CD2 3.84Å; L228-F291 HydrophobicContact CD2-CE2 3.76Å; L228-F291 HydrophobicContact CD2-CG 4.34Å; L228-F291 HydrophobicContact CD2-CZ 4.27Å; R284-F291 PolarHBondContact NE-O 2.9Å; R284-F291 PolarHBondContact NH2-O 2.84Å; R287-F291 HydrophobicContact CG-CE2 4.42Å; I289-F291 PolarHBondContact O-N 3.44Å; F291-F293 HydrophobicContact CB-CD2 3.96Å; F291-F293 HydrophobicContact CB-CE1 4.45Å; F291-F293 HydrophobicContact CB-CE2 3.36Å; F291-F293 HydrophobicContact CB-CZ 3.63Å; F291-F293 HydrophobicContact CD1-CE1 4.31Å; F291-F293 HydrophobicContact CD1-CE2 4.19Å; F291-F293 AromaticContact CD1-CZ 3.6Å; F291-F293 HydrophobicContact CD1-CZ 3.6Å; F291-F293 HydrophobicContact CD2-CE2 4.41Å; F291-F293 HydrophobicContact CD2-CZ 4.5Å; F291-F293 HydrophobicContact CE1-CZ 4.44Å; F291-F293 AromaticContact CG-CE2 3.75Å; F291-F293 HydrophobicContact CG-CE2 3.75Å; F291-F293 AromaticContact CG-CZ 3.66Å; F291-F293 HydrophobicContact CG-CZ 3.66Å |
| 292 | D | 76.1 | Confident | 83.3 | Confident | 145 Ų | 145 | 83.6 Ų | 83.6 | 78% | 0.775 | 43% | 0.432 | S | S | * | . | trans | -123.3 | 105.7 | 168.3 | -160.1 | 17.3 | 0 | 0 | 0 | 108.5 | ||||
| 293 | F | 84.5 | Confident | 83.8 | Confident | 25 Ų | 25 | 88 Ų | 88 | 11% | 0.11 | 45% | 0.446 | C | S | . | . | trans | -109.8 | 130.8 | -177.9 | -59.6 | -63.3 | 0 | 0 | 0 | 108.9 | L228 L262 V265 H269 T274 L280 F291 | L228-F293 HydrophobicContact CD2-CE2 3.92Å; L228-F293 HydrophobicContact CD2-CZ 3.98Å; L262-F293 HydrophobicContact CD1-CE1 4.34Å; V265-F293 HydrophobicContact CG1-CE1 3.89Å; V265-F293 HydrophobicContact CG1-CE2 4.14Å; V265-F293 HydrophobicContact CG1-CZ 3.62Å; H269-F293 AromaticContact CE1-CD1 3.85Å; H269-F293 AromaticContact CE1-CD2 3.6Å; H269-F293 AromaticContact CE1-CE2 3.95Å; H269-F293 AromaticContact CE1-CG 3.53Å; T274-F293 HydrophobicContact CG2-CB 3.84Å; L280-F293 HydrophobicContact CD2-CD2 4.07Å; L280-F293 HydrophobicContact CD2-CE2 4.45Å; F291-F293 HydrophobicContact CB-CD2 3.96Å; F291-F293 HydrophobicContact CB-CE1 4.45Å; F291-F293 HydrophobicContact CB-CE2 3.36Å; F291-F293 HydrophobicContact CB-CZ 3.63Å; F291-F293 HydrophobicContact CD1-CE1 4.31Å; F291-F293 HydrophobicContact CD1-CE2 4.19Å; F291-F293 AromaticContact CD1-CZ 3.6Å; F291-F293 HydrophobicContact CD1-CZ 3.6Å; F291-F293 HydrophobicContact CD2-CE2 4.41Å; F291-F293 HydrophobicContact CD2-CZ 4.5Å; F291-F293 HydrophobicContact CE1-CZ 4.44Å; F291-F293 AromaticContact CG-CE2 3.75Å; F291-F293 HydrophobicContact CG-CE2 3.75Å; F291-F293 AromaticContact CG-CZ 3.66Å; F291-F293 HydrophobicContact CG-CZ 3.66Å | ||
| 294 | P | 86.6 | Confident | 84.3 | Confident | 76 Ų | 76 | 90.6 Ų | 90.6 | 49% | 0.494 | 46% | 0.46 | S | S | . | . | trans | -62.6 | 140.7 | 174.8 | 25.9 | -33 | 0 | 0 | 0 | 109.9 | T274 R296 | T274-P294 PolarHBondContact OG1-O 2.71Å; P294-R296 PolarHBondContact O-N 3.21Å | ||
| 295 | P | 89.6 | Confident | 85.1 | Confident | 128 Ų | 128 | 86.4 Ų | 86.4 | 83% | 0.831 | 45% | 0.445 | S | S | * | . | trans | -58.1 | 134 | 175.3 | -25.6 | 34.6 | 0 | 0 | 0 | 112.1 | ||||
| 296 | R | 93.3 | Very high | 85.8 | Confident | 109 Ų | 109 | 83.8 Ų | 83.8 | 41% | 0.411 | 44% | 0.441 | S | S | . | . | trans | -140.1 | 142.8 | 177.3 | -61.4 | -177.3 | -167.5 | -168 | 2.5 | 110.3 | D270 G273 T274 P294 | D270-R296 IonicContact OD1-NH1 2.84Å; D270-R296 PolarHBondContact OD1-NH1 2.92Å; G273-R296 CarbonylContact C-O 3.49Å; G273-R296 WeakPolarHBondContact CA-O 3.45Å; T274-R296 PolarHBondContact N-O 3.23Å; T274-R296 PolarHBondContact OG1-N 3.34Å; P294-R296 PolarHBondContact O-N 3.21Å | ||
| 297 | K | 91.6 | Very high | 86.4 | Confident | 209 Ų | 209 | 89.9 Ų | 89.9 | 91% | 0.909 | 47% | 0.471 | S | S | * | . | trans | -80.7 | -15.1 | -176.4 | -167.8 | 171.2 | 179.4 | 175.2 | 0 | 114.5 | ||||
| 298 | G | 96.2 | Very high | 87.3 | Confident | 27 Ų | 27 | 89.8 Ų | 89.8 | 28% | 0.278 | 48% | 0.475 | S | S | . | . | trans | 68.5 | 154.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 299 | S | 96.3 | Very high | 88.9 | Confident | 45 Ų | 45 | 86.7 Ų | 86.7 | 32% | 0.315 | 45% | 0.447 | S | S | . | . | trans | -78.5 | -28 | 175.1 | 52.4 | 0 | 0 | 0 | 0 | 113.1 | D270 V271 R303 | D270-S299 WeakPolarHBondContact O-CB 3.08Å; D270-S299 PolarHBondContact O-N 2.82Å; D270-S299 PolarHBondContact O-OG 3.49Å; V271-S299 WeakPolarHBondContact CA-OG 3.42Å; V271-S299 PolarHBondContact O-N 2.98Å; S299-R303 WeakPolarHBondContact O-CD 3.3Å | ||
| 300 | G | 95.8 | Very high | 90.4 | Very high | 16 Ų | 16 | 84.7 Ų | 84.7 | 17% | 0.165 | 45% | 0.449 | C | S | . | . | trans | 81.4 | 138.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V271 S302 R303 | V271-G300 WeakPolarHBondContact O-CA 3.35Å; V271-G300 PolarHBondContact O-N 2.78Å; G300-S302 VanDerWaalsContact C-N 3.3Å; G300-S302 PolarHBondContact O-N 3.29Å; G300-R303 PolarHBondContact O-N 3.11Å | ||
| 301 | I | 96.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -61.4 | -37.6 | -179.1 | -59.8 | 166.6 | 0 | 0 | 0 | 111.8 | Y247 V271 L272 R303 L304 I305 L313 L316 Y317 L320 | Y247-I301 HydrophobicContact CD2-CG2 4.15Å; Y247-I301 HydrophobicContact CE2-CG2 4.44Å; V271-I301 HydrophobicContact CG1-CG1 3.86Å; L272-I301 HydrophobicContact CD2-CD1 3.95Å; L272-I301 HydrophobicContact CD2-CG1 4.11Å; I301-R303 PolarHBondContact O-N 3.42Å; I301-R303 VanDerWaalsContact O-N 3.17Å; I301-L304 WeakPolarHBondContact O-CB 3.47Å; I301-L304 PolarHBondContact O-N 3.43Å; I301-I305 HydrophobicContact CG2-CD1 3.83Å; I301-I305 HydrophobicContact CG2-CG1 4Å; I301-I305 WeakPolarHBondContact O-CG1 3.29Å; I301-I305 PolarHBondContact O-N 2.9Å; I301-L313 HydrophobicContact CB-CD1 4.31Å; I301-L313 HydrophobicContact CG2-CD1 3.94Å; I301-L316 HydrophobicContact CD1-CG 4.38Å; I301-L316 HydrophobicContact CG2-CD2 3.61Å; I301-L316 HydrophobicContact CG2-CG 4.34Å; I301-Y317 HydrophobicContact CB-CE1 4.16Å; I301-Y317 HydrophobicContact CB-CE2 4.23Å; I301-Y317 HydrophobicContact CD1-CD1 3.82Å; I301-Y317 HydrophobicContact CD1-CE1 3.77Å; I301-Y317 HydrophobicContact CD1-CG 4.33Å; I301-Y317 HydrophobicContact CG1-CE1 4.05Å; I301-Y317 PolarHBondContact N-OH 3.46Å; I301-L320 HydrophobicContact CD1-CB 4.4Å; I301-L320 HydrophobicContact CD1-CD1 3.56Å |
| 302 | S | 96.5 | Very high | 93.1 | Very high | 53 Ų | 53 | 74.6 Ų | 74.6 | 37% | 0.371 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -56.6 | -33.7 | -178.2 | 61 | 0 | 0 | 0 | 0 | 113.6 | G300 L304 I305 P306 Y317 | G300-S302 VanDerWaalsContact C-N 3.3Å; G300-S302 PolarHBondContact O-N 3.29Å; S302-L304 VanDerWaalsContact C-N 3.33Å; S302-I305 CarbonylContact O-C 3.16Å; S302-P306 WeakPolarHBondContact O-CA 3.49Å; S302-Y317 PolarHBondContact N-OH 2.97Å |
| 303 | R | 95.8 | Very high | 94.2 | Very high | 197 Ų | 197 | 69.2 Ų | 69.2 | 74% | 0.743 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -72.7 | -27.3 | 177.9 | -62 | -167.7 | -175.4 | -177 | -4 | 112.8 | S299 G300 I301 | S299-R303 WeakPolarHBondContact O-CD 3.3Å; G300-R303 PolarHBondContact O-N 3.11Å; I301-R303 PolarHBondContact O-N 3.42Å; I301-R303 VanDerWaalsContact O-N 3.17Å |
| 304 | L | 96.1 | Very high | 94.8 | Very high | 69 Ų | 69 | 70.5 Ų | 70.5 | 36% | 0.361 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -80 | -27.2 | -179.7 | -56.9 | 179.3 | 0 | 0 | 0 | 112.3 | Y247 L255 V271 I301 S302 | Y247-L304 HydrophobicContact CE2-CB 3.88Å; Y247-L304 HydrophobicContact CE2-CD1 4.2Å; Y247-L304 WeakPolarHBondContact OH-CB 3.4Å; L255-L304 HydrophobicContact CD1-CD1 4.02Å; V271-L304 HydrophobicContact CG1-CD1 3.84Å; V271-L304 HydrophobicContact CG2-CD1 4.02Å; I301-L304 WeakPolarHBondContact O-CB 3.47Å; I301-L304 PolarHBondContact O-N 3.43Å; S302-L304 VanDerWaalsContact C-N 3.33Å |
| 305 | I | 95.2 | Very high | 95.4 | Very high | 13 Ų | 13 | 66.9 Ų | 66.9 | 7% | 0.067 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -131.6 | 66.6 | -179.9 | 49.8 | 169.5 | 0 | 0 | 0 | 110.9 | Y247 I250 I301 S302 N307 C308 L313 L316 | Y247-I305 HydrophobicContact CD2-CD1 4.24Å; Y247-I305 HydrophobicContact CD2-CG2 4.22Å; Y247-I305 HydrophobicContact CE2-CG1 4.46Å; Y247-I305 HydrophobicContact CE2-CG2 3.75Å; I250-I305 HydrophobicContact CD1-CD1 4.37Å; I250-I305 HydrophobicContact CG2-CB 4.31Å; I250-I305 HydrophobicContact CG2-CD1 4.47Å; I250-I305 HydrophobicContact CG2-CG2 3.89Å; I301-I305 HydrophobicContact CG2-CD1 3.83Å; I301-I305 HydrophobicContact CG2-CG1 4Å; I301-I305 WeakPolarHBondContact O-CG1 3.29Å; I301-I305 PolarHBondContact O-N 2.9Å; S302-I305 CarbonylContact O-C 3.16Å; I305-N307 PolarHBondContact O-N 3.47Å; I305-N307 VanDerWaalsContact O-N 3.11Å; I305-C308 HydrophobicContact CB-CB 4.11Å; I305-C308 HydrophobicContact CD1-CB 3.77Å; I305-C308 HydrophobicContact CG1-CB 3.99Å; I305-C308 WeakPolarHBondContact O-CB 3.39Å; I305-C308 PolarHBondContact O-N 2.69Å; I305-L313 HydrophobicContact CD1-CD1 4.32Å; I305-L316 HydrophobicContact CD1-CD2 3.7Å |
| 306 | P | 92.4 | Very high | 95.8 | Very high | 98 Ų | 98 | 60.8 Ų | 60.8 | 64% | 0.636 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -24 | -169.7 | 25.1 | -35.4 | 0 | 0 | 0 | 114.2 | S302 C308 | S302-P306 WeakPolarHBondContact O-CA 3.49Å; P306-C308 VanDerWaalsContact C-N 3.33Å |
| 307 | N | 89.9 | Confident | 96.1 | Very high | 162 Ų | 162 | 59.9 Ų | 59.9 | 87% | 0.866 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | 9.6 | 180 | -60.4 | -34.9 | 0 | 0 | 0 | 113.3 | I305 | I305-N307 PolarHBondContact O-N 3.47Å; I305-N307 VanDerWaalsContact O-N 3.11Å |
| 308 | C | 94.3 | Very high | 96.4 | Very high | 28 Ų | 28 | 53.3 Ų | 53.3 | 19% | 0.189 | 31% | 0.307 | C | S | . | . | trans | -77.1 | 137 | -179.3 | -168.1 | 0 | 0 | 0 | 0 | 111.2 | I305 P306 S312 | I305-C308 HydrophobicContact CB-CB 4.11Å; I305-C308 HydrophobicContact CD1-CB 3.77Å; I305-C308 HydrophobicContact CG1-CB 3.99Å; I305-C308 WeakPolarHBondContact O-CB 3.39Å; I305-C308 PolarHBondContact O-N 2.69Å; P306-C308 VanDerWaalsContact C-N 3.33Å; C308-S312 WeakPolarHBondContact SG-CB 3.46Å; C308-S312 PolarHBondContact SG-OG 2.94Å | ||
| 309 | S | 95.9 | Very high | 96.5 | Very high | 29 Ų | 29 | 52 Ų | 52 | 20% | 0.203 | 29% | 0.294 | C | S | . | . | trans | -64.5 | 146.4 | 177.7 | 72.3 | 0 | 0 | 0 | 0 | 111.7 | E156 S312 L313 | E156-S309 WeakPolarHBondContact OE1-CB 3.23Å; E156-S309 PolarHBondContact OE1-OG 2.97Å; S309-S312 WeakPolarHBondContact O-CB 3.35Å; S309-S312 PolarHBondContact O-N 3.05Å; S309-S312 VanDerWaalsContact OG-CB 3.23Å; S309-S312 WeakPolarHBondContact OG-CB 3.41Å; S309-S312 PolarHBondContact OG-N 2.96Å; S309-L313 PolarHBondContact O-N 3.33Å | ||
| 310 | A | 97.1 | Very high | 96.6 | Very high | 77 Ų | 77 | 50.1 Ų | 50.1 | 64% | 0.636 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -56.7 | -41.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S312 L313 S314 | A310-S312 VanDerWaalsContact C-N 3.34Å; A310-S312 PolarHBondContact O-N 3.26Å; A310-L313 PolarHBondContact O-N 2.76Å; A310-S314 VanDerWaalsContact O-CB 3.28Å; A310-S314 WeakPolarHBondContact O-CB 3.4Å; A310-S314 PolarHBondContact O-N 2.74Å |
| 311 | P | 97.8 | Very high | 96.7 | Very high | 58 Ų | 58 | 50.4 Ų | 50.4 | 38% | 0.377 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.9 | -34.2 | 175.2 | -21.8 | 34.6 | 0 | 0 | 0 | 113.5 | L315 H336 Y338 | P311-L315 PolarHBondContact O-N 2.72Å; P311-L315 VanDerWaalsContact O-N 3.16Å; P311-H336 PolarHBondContact O-CE1 3.11Å; P311-H336 VanDerWaalsContact O-CE1 3.28Å; P311-Y338 HydrophobicContact CB-CD2 4.22Å |
| 312 | S | 97.7 | Very high | 96.7 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.014 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.1 | -50.1 | 175.6 | 177.9 | 0 | 0 | 0 | 0 | 110.7 | F246 C308 S309 A310 S314 L315 L316 | F246-S312 WeakPolarHBondContact CZ-OG 3.33Å; C308-S312 WeakPolarHBondContact SG-CB 3.46Å; C308-S312 PolarHBondContact SG-OG 2.94Å; S309-S312 WeakPolarHBondContact O-CB 3.35Å; S309-S312 PolarHBondContact O-N 3.05Å; S309-S312 VanDerWaalsContact OG-CB 3.23Å; S309-S312 WeakPolarHBondContact OG-CB 3.41Å; S309-S312 PolarHBondContact OG-N 2.96Å; A310-S312 VanDerWaalsContact C-N 3.34Å; A310-S312 PolarHBondContact O-N 3.26Å; S312-S314 VanDerWaalsContact C-N 3.35Å; S312-S314 PolarHBondContact O-N 3.22Å; S312-L315 PolarHBondContact O-N 3.22Å; S312-L316 WeakPolarHBondContact O-CB 3.11Å; S312-L316 PolarHBondContact O-N 2.89Å |
| 313 | L | 98.2 | Very high | 96.6 | Very high | 32 Ų | 32 | 50.1 Ų | 50.1 | 17% | 0.168 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 178.5 | -175.2 | 65 | 0 | 0 | 0 | 112 | I301 I305 S309 A310 L315 L316 Y317 | I301-L313 HydrophobicContact CB-CD1 4.31Å; I301-L313 HydrophobicContact CG2-CD1 3.94Å; I305-L313 HydrophobicContact CD1-CD1 4.32Å; S309-L313 PolarHBondContact O-N 3.33Å; A310-L313 PolarHBondContact O-N 2.76Å; L313-L315 PolarHBondContact O-N 2.98Å; L313-L316 PolarHBondContact O-N 3.47Å; L313-Y317 HydrophobicContact CD1-CD2 3.94Å; L313-Y317 HydrophobicContact CD1-CE2 3.55Å; L313-Y317 HydrophobicContact CD2-CE2 4.18Å; L313-Y317 HydrophobicContact CG-CD2 3.86Å; L313-Y317 HydrophobicContact CG-CE2 3.68Å; L313-Y317 VanDerWaalsContact O-CD2 3.29Å; L313-Y317 WeakPolarHBondContact O-CD2 3.1Å; L313-Y317 PolarHBondContact O-N 3.38Å |
| 314 | S | 98.4 | Very high | 96.5 | Very high | 53 Ų | 53 | 41.5 Ų | 41.5 | 37% | 0.371 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.5 | -44 | 176.4 | 175.6 | 0 | 0 | 0 | 0 | 112.4 | A310 S312 L316 Q318 H336 | A310-S314 VanDerWaalsContact O-CB 3.28Å; A310-S314 WeakPolarHBondContact O-CB 3.4Å; A310-S314 PolarHBondContact O-N 2.74Å; S312-S314 VanDerWaalsContact C-N 3.35Å; S312-S314 PolarHBondContact O-N 3.22Å; S314-L316 VanDerWaalsContact C-N 3.35Å; S314-Q318 WeakPolarHBondContact O-CG 3.18Å; S314-Q318 PolarHBondContact O-N 3.16Å; S314-Q318 PolarHBondContact O-NE2 3.13Å; S314-Q318 PolarHBondContact OG-NE2 3.5Å; S314-H336 PolarHBondContact OG-NE2 3.38Å |
| 315 | L | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.3 | -41.4 | 175.8 | -177.7 | 57.3 | 0 | 0 | 0 | 111.4 | F246 P311 S312 L313 Q318 M319 I328 A333 H336 Y338 F339 | F246-L315 HydrophobicContact CE1-CB 4.3Å; F246-L315 HydrophobicContact CE1-CD2 4.05Å; F246-L315 HydrophobicContact CE1-CG 4.26Å; P311-L315 PolarHBondContact O-N 2.72Å; P311-L315 VanDerWaalsContact O-N 3.16Å; S312-L315 PolarHBondContact O-N 3.22Å; L313-L315 PolarHBondContact O-N 2.98Å; L315-Q318 PolarHBondContact O-N 3.16Å; L315-M319 HydrophobicContact CD1-CE 3.92Å; L315-M319 HydrophobicContact CD1-CG 4.43Å; L315-M319 HydrophobicContact CD2-CE 3.89Å; L315-M319 HydrophobicContact CG-CE 3.79Å; L315-M319 HydrophobicContact CG-SD 4.13Å; L315-M319 WeakPolarHBondContact O-CG 3.47Å; L315-M319 PolarHBondContact O-N 3.04Å; L315-I328 HydrophobicContact CD1-CD1 4.07Å; L315-A333 HydrophobicContact CD1-CB 4.16Å; L315-H336 HydrophobicContact CD1-CB 3.93Å; L315-Y338 HydrophobicContact CD2-CD1 3.61Å; L315-Y338 HydrophobicContact CD2-CE1 4.46Å; L315-Y338 HydrophobicContact CD2-CG 4.22Å; L315-F339 HydrophobicContact CD2-CD2 4.38Å; L315-F339 HydrophobicContact CD2-CE1 4.48Å; L315-F339 HydrophobicContact CD2-CE2 3.58Å; L315-F339 HydrophobicContact CD2-CZ 3.64Å |
| 316 | L | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.9 | -44.2 | -179.4 | -176.9 | 57.7 | 0 | 0 | 0 | 112 | G243 F246 Y247 I301 I305 S312 L313 S314 Q318 M319 L320 | G243-L316 WeakPolarHBondContact O-CD1 3.5Å; F246-L316 HydrophobicContact CB-CD1 4.04Å; F246-L316 HydrophobicContact CD1-CB 4.27Å; F246-L316 HydrophobicContact CD1-CD1 4.08Å; F246-L316 HydrophobicContact CE1-CB 4.4Å; F246-L316 HydrophobicContact CG-CD1 4.3Å; Y247-L316 HydrophobicContact CD2-CD2 4.31Å; I301-L316 HydrophobicContact CD1-CG 4.38Å; I301-L316 HydrophobicContact CG2-CD2 3.61Å; I301-L316 HydrophobicContact CG2-CG 4.34Å; I305-L316 HydrophobicContact CD1-CD2 3.7Å; S312-L316 WeakPolarHBondContact O-CB 3.11Å; S312-L316 PolarHBondContact O-N 2.89Å; L313-L316 PolarHBondContact O-N 3.47Å; S314-L316 VanDerWaalsContact C-N 3.35Å; L316-Q318 VanDerWaalsContact C-N 3.35Å; L316-Q318 PolarHBondContact O-N 3.14Å; L316-M319 PolarHBondContact O-N 3.35Å; L316-L320 HydrophobicContact CD1-CD1 3.66Å; L316-L320 HydrophobicContact CD1-CG 4.31Å; L316-L320 HydrophobicContact CG-CD1 4.01Å; L316-L320 WeakPolarHBondContact O-CB 3.43Å; L316-L320 WeakPolarHBondContact O-CG 3.39Å; L316-L320 PolarHBondContact O-N 2.98Å |
| 317 | Y | 98.4 | Very high | 96.8 | Very high | 90 Ų | 90 | 46.8 Ų | 46.8 | 35% | 0.353 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.9 | -40.4 | 173.7 | -86 | -70.3 | 0 | 0 | 0 | 112.7 | I301 S302 L313 M319 L320 A321 | I301-Y317 HydrophobicContact CB-CE1 4.16Å; I301-Y317 HydrophobicContact CB-CE2 4.23Å; I301-Y317 HydrophobicContact CD1-CD1 3.82Å; I301-Y317 HydrophobicContact CD1-CE1 3.77Å; I301-Y317 HydrophobicContact CD1-CG 4.33Å; I301-Y317 HydrophobicContact CG1-CE1 4.05Å; I301-Y317 PolarHBondContact N-OH 3.46Å; S302-Y317 PolarHBondContact N-OH 2.97Å; L313-Y317 HydrophobicContact CD1-CD2 3.94Å; L313-Y317 HydrophobicContact CD1-CE2 3.55Å; L313-Y317 HydrophobicContact CD2-CE2 4.18Å; L313-Y317 HydrophobicContact CG-CD2 3.86Å; L313-Y317 HydrophobicContact CG-CE2 3.68Å; L313-Y317 VanDerWaalsContact O-CD2 3.29Å; L313-Y317 WeakPolarHBondContact O-CD2 3.1Å; L313-Y317 PolarHBondContact O-N 3.38Å; Y317-M319 VanDerWaalsContact C-N 3.35Å; Y317-M319 PolarHBondContact O-N 3.23Å; Y317-L320 CarbonylContact O-C 3.56Å; Y317-L320 PolarHBondContact O-N 3.31Å; Y317-A321 PolarHBondContact O-N 3.42Å; Y317-A321 VanDerWaalsContact O-N 3.11Å |
| 318 | Q | 98.7 | Very high | 97.2 | Very high | 71 Ų | 71 | 39.8 Ų | 39.8 | 33% | 0.332 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67.2 | -33.5 | 177.8 | -77 | 172.5 | 79.7 | 0 | 0 | 112.9 | S314 L315 L316 I328 H336 | S314-Q318 WeakPolarHBondContact O-CG 3.18Å; S314-Q318 PolarHBondContact O-N 3.16Å; S314-Q318 PolarHBondContact O-NE2 3.13Å; S314-Q318 PolarHBondContact OG-NE2 3.5Å; L315-Q318 PolarHBondContact O-N 3.16Å; L316-Q318 VanDerWaalsContact C-N 3.35Å; L316-Q318 PolarHBondContact O-N 3.14Å; Q318-I328 HydrophobicContact CB-CB 3.99Å; Q318-I328 HydrophobicContact CB-CD1 4.4Å; Q318-I328 HydrophobicContact CB-CG2 3.87Å; Q318-I328 WeakPolarHBondContact O-CG2 3.4Å; Q318-I328 PolarHBondContact O-N 3Å; Q318-H336 PolarHBondContact NE2-CD2 2.93Å; Q318-H336 PolarHBondContact NE2-NE2 3.19Å |
| 319 | M | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.7 | -34.4 | 172.5 | -73 | 174.8 | 169.5 | 0 | 0 | 112.4 | M239 W240 V242 F246 L315 L316 Y317 A321 R327 I328 A333 | M239-M319 HydrophobicContact CE-CE 4.05Å; M239-M319 HydrophobicContact CE-CG 4.27Å; W240-M319 WeakPolarHBondContact CA-O 3.48Å; V242-M319 HydrophobicContact CB-SD 4.46Å; V242-M319 HydrophobicContact CG1-CE 3.64Å; V242-M319 HydrophobicContact CG1-SD 3.7Å; F246-M319 HydrophobicContact CD1-SD 4.02Å; L315-M319 HydrophobicContact CD1-CE 3.92Å; L315-M319 HydrophobicContact CD1-CG 4.43Å; L315-M319 HydrophobicContact CD2-CE 3.89Å; L315-M319 HydrophobicContact CG-CE 3.79Å; L315-M319 HydrophobicContact CG-SD 4.13Å; L315-M319 WeakPolarHBondContact O-CG 3.47Å; L315-M319 PolarHBondContact O-N 3.04Å; L316-M319 PolarHBondContact O-N 3.35Å; Y317-M319 VanDerWaalsContact C-N 3.35Å; Y317-M319 PolarHBondContact O-N 3.23Å; M319-A321 VanDerWaalsContact C-N 3.35Å; M319-R327 WeakPolarHBondContact O-CD 3.35Å; M319-R327 VanDerWaalsContact O-CG 3.26Å; M319-R327 WeakPolarHBondContact O-CG 3.35Å; M319-I328 HydrophobicContact CB-CG2 4.49Å; M319-I328 HydrophobicContact CG-CG2 3.83Å; M319-A333 HydrophobicContact CE-CB 4.26Å |
| 320 | L | 98.6 | Very high | 97.5 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 24.1 | -178.6 | -65.4 | 171.1 | 0 | 0 | 0 | 112.9 | W240 L255 F256 I301 L316 Y317 Y322 | W240-L320 HydrophobicContact CD2-CD2 3.81Å; W240-L320 HydrophobicContact CE3-CB 4.41Å; W240-L320 HydrophobicContact CE3-CD2 3.95Å; W240-L320 HydrophobicContact CG-CD2 4.32Å; W240-L320 HydrophobicContact CH2-CD2 4.43Å; W240-L320 HydrophobicContact CZ2-CD2 4.29Å; W240-L320 HydrophobicContact CZ3-CB 4.28Å; W240-L320 HydrophobicContact CZ3-CD2 4.26Å; W240-L320 VanDerWaalsContact CZ3-O 3.29Å; W240-L320 WeakPolarHBondContact CZ3-O 3.21Å; L255-L320 HydrophobicContact CD2-CD1 3.48Å; L255-L320 VanDerWaalsContact CD2-CD1 3.48Å; L255-L320 HydrophobicContact CD2-CD2 4.43Å; F256-L320 HydrophobicContact CE2-CD2 4.35Å; I301-L320 HydrophobicContact CD1-CB 4.4Å; I301-L320 HydrophobicContact CD1-CD1 3.56Å; L316-L320 HydrophobicContact CD1-CD1 3.66Å; L316-L320 HydrophobicContact CD1-CG 4.31Å; L316-L320 HydrophobicContact CG-CD1 4.01Å; L316-L320 WeakPolarHBondContact O-CB 3.43Å; L316-L320 WeakPolarHBondContact O-CG 3.39Å; L316-L320 PolarHBondContact O-N 2.98Å; Y317-L320 CarbonylContact O-C 3.56Å; Y317-L320 PolarHBondContact O-N 3.31Å; L320-Y322 PolarHBondContact O-N 3.15Å |
| 321 | A | 97.8 | Very high | 97.6 | Very high | 22 Ų | 22 | 41.8 Ų | 41.8 | 18% | 0.182 | 21% | 0.208 | C | C | . | . | trans | -63.4 | 135.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110 | Y317 M319 R327 | Y317-A321 PolarHBondContact O-N 3.42Å; Y317-A321 VanDerWaalsContact O-N 3.11Å; M319-A321 VanDerWaalsContact C-N 3.35Å; A321-R327 HydrophobicContact CB-CB 4.03Å; A321-R327 HydrophobicContact CB-CG 4.26Å; A321-R327 PolarHBondContact O-NE 2.84Å; A321-R327 PolarHBondContact O-NH2 2.8Å; A321-R327 VanDerWaalsContact O-NH2 3.15Å | ||
| 322 | Y | 95.1 | Very high | 97.6 | Very high | 25 Ų | 25 | 41.5 Ų | 41.5 | 10% | 0.098 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -68.1 | -48.5 | -174.7 | -141.6 | -67.1 | 0 | 0 | 0 | 111.4 | P224 L228 I268 H269 L272 P275 L279 F283 L320 P324 R327 | P224-Y322 HydrophobicContact CB-CD1 3.81Å; P224-Y322 HydrophobicContact CB-CE1 3.37Å; P224-Y322 HydrophobicContact CG-CD1 3.96Å; P224-Y322 HydrophobicContact CG-CE1 3.82Å; P224-Y322 HydrophobicContact CG-CG 4.37Å; L228-Y322 HydrophobicContact CD1-CE1 4.13Å; I268-Y322 HydrophobicContact CG2-CE2 3.68Å; H269-Y322 PolarHBondContact CD2-OH 3.44Å; H269-Y322 VanDerWaalsContact CD2-OH 3.24Å; H269-Y322 PolarHBondContact NE2-OH 3.35Å; L272-Y322 HydrophobicContact CD1-CD2 4.26Å; P275-Y322 HydrophobicContact CB-CD1 4.02Å; P275-Y322 HydrophobicContact CB-CD2 4.34Å; P275-Y322 HydrophobicContact CB-CE1 4.06Å; P275-Y322 HydrophobicContact CB-CE2 4.39Å; P275-Y322 HydrophobicContact CB-CG 4.17Å; P275-Y322 HydrophobicContact CG-CD1 4.15Å; P275-Y322 HydrophobicContact CG-CE1 3.66Å; P275-Y322 HydrophobicContact CG-CE2 4.15Å; L279-Y322 HydrophobicContact CD2-CD1 3.92Å; L279-Y322 HydrophobicContact CD2-CG 4.13Å; F283-Y322 AromaticContact CE2-CD1 3.83Å; F283-Y322 HydrophobicContact CE2-CD1 3.83Å; F283-Y322 AromaticContact CE2-CE1 3.83Å; F283-Y322 HydrophobicContact CE2-CE1 3.83Å; F283-Y322 HydrophobicContact CZ-CD1 4.26Å; L320-Y322 PolarHBondContact O-N 3.15Å; Y322-P324 WeakPolarHBondContact O-CD 3.28Å; Y322-R327 PolarHBondContact O-NH2 3.29Å |
| 323 | D | 94.7 | Very high | 97.7 | Very high | 22 Ų | 22 | 41.4 Ų | 41.4 | 12% | 0.118 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -73.5 | 121.3 | 173.4 | -166.2 | -31.5 | 0 | 0 | 0 | 109.7 | L279 K282 E325 E326 R327 | L279-D323 HydrophobicContact CD1-CB 3.82Å; L279-D323 HydrophobicContact CD2-CB 4.12Å; K282-D323 IonicContact NZ-OD2 3.69Å; K282-D323 PolarHBondContact NZ-OD2 2.65Å; D323-E325 PolarHBondContact O-N 3.04Å; D323-E325 WeakPolarHBondContact OD1-CB 3.5Å; D323-E325 PolarHBondContact OD1-N 3.14Å; D323-E326 HydrophobicContact CB-CB 4.25Å; D323-E326 HydrophobicContact CB-CG 4.07Å; D323-E326 PolarHBondContact O-N 2.92Å; D323-R327 PolarHBondContact O-N 2.75Å; D323-R327 VanDerWaalsContact O-N 3.11Å |
| 324 | P | 95.1 | Very high | 97.7 | Very high | 16 Ų | 16 | 40.6 Ų | 40.6 | 10% | 0.104 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -28 | 177.2 | -24.4 | 35.2 | 0 | 0 | 0 | 114.2 | E225 K236 Y322 R327 | E225-P324 HydrophobicContact CB-CG 4.02Å; E225-P324 VanDerWaalsContact CD-CG 3.5Å; E225-P324 HydrophobicContact CG-CG 3.88Å; K236-P324 HydrophobicContact CB-CB 4.09Å; K236-P324 WeakPolarHBondContact CG-O 3.27Å; K236-P324 PolarHBondContact NZ-O 3.44Å; Y322-P324 WeakPolarHBondContact O-CD 3.28Å; P324-R327 WeakPolarHBondContact O-CB 3.48Å; P324-R327 PolarHBondContact O-N 2.61Å |
| 325 | E | 94.3 | Very high | 97.7 | Very high | 138 Ų | 138 | 44 Ų | 44 | 65% | 0.645 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71 | -42.1 | -179.9 | -63.6 | -52.1 | 126.8 | 0 | 0 | 111.2 | K236 D323 R327 | K236-E325 PolarHBondContact NZ-O 3.22Å; D323-E325 PolarHBondContact O-N 3.04Å; D323-E325 WeakPolarHBondContact OD1-CB 3.5Å; D323-E325 PolarHBondContact OD1-N 3.14Å; E325-R327 VanDerWaalsContact C-N 3.28Å; E325-R327 PolarHBondContact O-N 3.13Å |
| 326 | E | 96.4 | Very high | 97.7 | Very high | 152 Ų | 152 | 45.1 Ų | 45.1 | 71% | 0.71 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -17 | 175.5 | -60.2 | -56.2 | 137.7 | 0 | 0 | 113.1 | D323 I328 | D323-E326 HydrophobicContact CB-CB 4.25Å; D323-E326 HydrophobicContact CB-CG 4.07Å; D323-E326 PolarHBondContact O-N 2.92Å; E326-I328 PolarHBondContact O-N 2.86Å |
| 327 | R | 98.4 | Very high | 97.7 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.008 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -67.4 | 131.4 | -179.4 | -163.1 | -179.2 | -60.3 | 141.6 | 4.5 | 111.4 | E225 K236 M239 M319 A321 Y322 D323 P324 E325 G329 | E225-R327 IonicContact OE1-CZ 3.61Å; E225-R327 IonicContact OE1-NH1 3.1Å; E225-R327 PolarHBondContact OE1-NH1 3.35Å; E225-R327 IonicContact OE1-NH2 2.86Å; E225-R327 IonicContact OE2-CZ 3.96Å; E225-R327 IonicContact OE2-NH1 3.45Å; E225-R327 PolarHBondContact OE2-NH1 3.17Å; E225-R327 IonicContact OE2-NH2 2.7Å; E225-R327 PolarHBondContact OE2-NH2 2.82Å; K236-R327 VanDerWaalsContact C-NH1 3.3Å; K236-R327 WeakPolarHBondContact CE-O 3.43Å; K236-R327 PolarHBondContact NZ-O 3.36Å; K236-R327 VanDerWaalsContact O-CD 3.31Å; K236-R327 WeakPolarHBondContact O-CD 3.32Å; K236-R327 PolarHBondContact O-NH1 2.96Å; M239-R327 HydrophobicContact CB-CG 4.4Å; M319-R327 WeakPolarHBondContact O-CD 3.35Å; M319-R327 VanDerWaalsContact O-CG 3.26Å; M319-R327 WeakPolarHBondContact O-CG 3.35Å; A321-R327 HydrophobicContact CB-CB 4.03Å; A321-R327 HydrophobicContact CB-CG 4.26Å; A321-R327 PolarHBondContact O-NE 2.84Å; A321-R327 PolarHBondContact O-NH2 2.8Å; A321-R327 VanDerWaalsContact O-NH2 3.15Å; Y322-R327 PolarHBondContact O-NH2 3.29Å; D323-R327 PolarHBondContact O-N 2.75Å; D323-R327 VanDerWaalsContact O-N 3.11Å; P324-R327 WeakPolarHBondContact O-CB 3.48Å; P324-R327 PolarHBondContact O-N 2.61Å; E325-R327 VanDerWaalsContact C-N 3.28Å; E325-R327 PolarHBondContact O-N 3.13Å; R327-G329 PolarHBondContact O-N 3.23Å |
| 328 | I | 98.8 | Very high | 97.7 | Very high | 15 Ų | 15 | 44.4 Ų | 44.4 | 8% | 0.077 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -60.5 | 131.1 | -179.4 | -164.4 | 171.7 | 0 | 0 | 0 | 111.6 | M239 L315 Q318 M319 E326 A332 A333 | M239-I328 WeakPolarHBondContact CB-O 3.37Å; M239-I328 HydrophobicContact CE-CG2 4.39Å; M239-I328 WeakPolarHBondContact CG-O 3.39Å; L315-I328 HydrophobicContact CD1-CD1 4.07Å; Q318-I328 HydrophobicContact CB-CB 3.99Å; Q318-I328 HydrophobicContact CB-CD1 4.4Å; Q318-I328 HydrophobicContact CB-CG2 3.87Å; Q318-I328 WeakPolarHBondContact O-CG2 3.4Å; Q318-I328 PolarHBondContact O-N 3Å; M319-I328 HydrophobicContact CB-CG2 4.49Å; M319-I328 HydrophobicContact CG-CG2 3.83Å; E326-I328 PolarHBondContact O-N 2.86Å; I328-A332 HydrophobicContact CD1-CB 4.25Å; I328-A332 HydrophobicContact CG1-CB 3.69Å; I328-A333 VanDerWaalsContact CD1-CA 3.49Å; I328-A333 HydrophobicContact CD1-CB 3.98Å; I328-A333 HydrophobicContact CG1-CB 4.2Å; I328-A333 HydrophobicContact CG2-CB 4.39Å |
| 329 | G | 98.6 | Very high | 97.7 | Very high | 17 Ų | 17 | 41 Ų | 41 | 18% | 0.175 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -76 | 159.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R327 R331 A332 A333 | R327-G329 PolarHBondContact O-N 3.23Å; G329-R331 VanDerWaalsContact C-N 3.33Å; G329-R331 PolarHBondContact O-N 3.4Å; G329-A332 PolarHBondContact O-N 2.96Å; G329-A332 VanDerWaalsContact O-N 3.16Å; G329-A333 WeakPolarHBondContact O-CB 3.39Å; G329-A333 PolarHBondContact O-N 3.44Å |
| 330 | S | 98.2 | Very high | 97.6 | Very high | 6 Ų | 6 | 48.8 Ų | 48.8 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -54.5 | -45.3 | 179.3 | 49.2 | 0 | 0 | 0 | 0 | 112.9 | D171 H174 A332 A333 L334 | D171-S330 VanDerWaalsContact CA-OG 3.32Å; D171-S330 WeakPolarHBondContact CA-OG 3.47Å; D171-S330 PolarHBondContact N-OG 2.94Å; H174-S330 PolarHBondContact ND1-OG 3.16Å; S330-A332 PolarHBondContact O-N 3.01Å; S330-A333 WeakPolarHBondContact O-CB 3.32Å; S330-A333 PolarHBondContact O-N 3.15Å; S330-L334 WeakPolarHBondContact O-CG 3.49Å; S330-L334 PolarHBondContact O-N 3.28Å |
| 331 | R | 98.3 | Very high | 97.5 | Very high | 152 Ų | 152 | 54.8 Ų | 54.8 | 57% | 0.574 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -57.8 | -47.3 | 175.2 | -170.7 | 155.2 | -67.9 | -127.1 | -7.9 | 113.6 | D171 G329 L334 | D171-R331 VanDerWaalsContact OD1-CB 3.29Å; D171-R331 WeakPolarHBondContact OD1-CB 3.38Å; D171-R331 IonicContact OD1-CZ 2.86Å; D171-R331 IonicContact OD1-NE 3.01Å; D171-R331 PolarHBondContact OD1-NE 2.99Å; D171-R331 IonicContact OD1-NH2 3.46Å; D171-R331 PolarHBondContact OD1-NH2 2.85Å; D171-R331 VanDerWaalsContact OD1-NH2 3.13Å; D171-R331 IonicContact OD2-CZ 2.69Å; D171-R331 IonicContact OD2-NE 3.99Å; D171-R331 IonicContact OD2-NH2 3.68Å; D171-R331 PolarHBondContact OD2-NH2 3.3Å; G329-R331 VanDerWaalsContact C-N 3.33Å; G329-R331 PolarHBondContact O-N 3.4Å; R331-L334 PolarHBondContact O-N 3.36Å |
| 332 | A | 98.6 | Very high | 97.5 | Very high | 52 Ų | 52 | 55.4 Ų | 55.4 | 43% | 0.43 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68.8 | -39 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111 | I328 G329 S330 L334 Q335 H336 | I328-A332 HydrophobicContact CD1-CB 4.25Å; I328-A332 HydrophobicContact CG1-CB 3.69Å; G329-A332 PolarHBondContact O-N 2.96Å; G329-A332 VanDerWaalsContact O-N 3.16Å; S330-A332 PolarHBondContact O-N 3.01Å; A332-L334 VanDerWaalsContact C-N 3.3Å; A332-L334 PolarHBondContact O-N 2.97Å; A332-Q335 WeakPolarHBondContact O-CA 3.46Å; A332-Q335 PolarHBondContact O-N 2.56Å; A332-H336 PolarHBondContact O-N 3.23Å |
| 333 | A | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.7 | -41.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | M239 L315 M319 I328 G329 S330 Q335 H336 F339 | M239-A333 HydrophobicContact CE-CB 3.95Å; L315-A333 HydrophobicContact CD1-CB 4.16Å; M319-A333 HydrophobicContact CE-CB 4.26Å; I328-A333 VanDerWaalsContact CD1-CA 3.49Å; I328-A333 HydrophobicContact CD1-CB 3.98Å; I328-A333 HydrophobicContact CG1-CB 4.2Å; I328-A333 HydrophobicContact CG2-CB 4.39Å; G329-A333 WeakPolarHBondContact O-CB 3.39Å; G329-A333 PolarHBondContact O-N 3.44Å; S330-A333 WeakPolarHBondContact O-CB 3.32Å; S330-A333 PolarHBondContact O-N 3.15Å; A333-Q335 PolarHBondContact O-N 2.89Å; A333-H336 WeakPolarHBondContact O-CB 3.17Å; A333-H336 PolarHBondContact O-N 3.04Å; A333-F339 WeakPolarHBondContact O-CD2 3.1Å; A333-F339 WeakPolarHBondContact O-CE2 3.19Å |
| 334 | L | 98.6 | Very high | 97.6 | Very high | 15 Ų | 15 | 57.6 Ų | 57.6 | 8% | 0.079 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.9 | -28.8 | 174.9 | -71.5 | 169.6 | 0 | 0 | 0 | 112.9 | Y164 C167 K168 D171 S330 R331 A332 R343 | Y164-L334 HydrophobicContact CD2-CD2 3.62Å; Y164-L334 HydrophobicContact CE2-CD2 3.44Å; Y164-L334 VanDerWaalsContact CE2-CD2 3.44Å; C167-L334 HydrophobicContact CB-CD2 3.6Å; C167-L334 HydrophobicContact CB-CG 3.93Å; K168-L334 HydrophobicContact CG-CD1 4.31Å; K168-L334 HydrophobicContact CG-CD2 3.63Å; D171-L334 HydrophobicContact CB-CD1 3.79Å; S330-L334 WeakPolarHBondContact O-CG 3.49Å; S330-L334 PolarHBondContact O-N 3.28Å; R331-L334 PolarHBondContact O-N 3.36Å; A332-L334 VanDerWaalsContact C-N 3.3Å; A332-L334 PolarHBondContact O-N 2.97Å; L334-R343 WeakPolarHBondContact O-CD 3.4Å; L334-R343 PolarHBondContact O-NH1 3.46Å |
| 335 | Q | 98.4 | Very high | 97.6 | Very high | 125 Ų | 125 | 58.8 Ų | 58.8 | 58% | 0.584 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -85.9 | -5.8 | 176.3 | -59.1 | -54.3 | -32.9 | 0 | 0 | 114.1 | A332 A333 R343 | A332-Q335 WeakPolarHBondContact O-CA 3.46Å; A332-Q335 PolarHBondContact O-N 2.56Å; A333-Q335 PolarHBondContact O-N 2.89Å; Q335-R343 VanDerWaalsContact C-CZ 3.5Å; Q335-R343 VanDerWaalsContact O-CZ 3.23Å; Q335-R343 PolarHBondContact O-NH1 3.02Å; Q335-R343 PolarHBondContact O-NH2 3.42Å |
| 336 | H | 98.7 | Very high | 97.6 | Very high | 24 Ų | 24 | 55.3 Ų | 55.3 | 11% | 0.111 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -61.3 | 150 | -178.6 | -166.7 | -98.6 | 0 | 0 | 0 | 113 | P311 S314 L315 Q318 A332 A333 Y338 F339 R343 | P311-H336 PolarHBondContact O-CE1 3.11Å; P311-H336 VanDerWaalsContact O-CE1 3.28Å; S314-H336 PolarHBondContact OG-NE2 3.38Å; L315-H336 HydrophobicContact CD1-CB 3.93Å; Q318-H336 PolarHBondContact NE2-CD2 2.93Å; Q318-H336 PolarHBondContact NE2-NE2 3.19Å; A332-H336 PolarHBondContact O-N 3.23Å; A333-H336 WeakPolarHBondContact O-CB 3.17Å; A333-H336 PolarHBondContact O-N 3.04Å; H336-Y338 WeakPolarHBondContact ND1-CB 3.41Å; H336-Y338 PolarHBondContact ND1-N 3.09Å; H336-Y338 PolarHBondContact O-N 2.63Å; H336-Y338 VanDerWaalsContact O-N 3.13Å; H336-F339 PolarHBondContact O-N 3.2Å; H336-R343 PolarHBondContact O-NH1 3.23Å |
| 337 | A | 98.1 | Very high | 97.4 | Very high | 67 Ų | 67 | 55 Ų | 55 | 55% | 0.554 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -56.3 | -32.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113 | F339 R340 | A337-F339 PolarHBondContact O-N 3.17Å; A337-F339 VanDerWaalsContact O-N 3.14Å; A337-R340 VanDerWaalsContact O-CB 3.24Å; A337-R340 WeakPolarHBondContact O-CB 3Å; A337-R340 PolarHBondContact O-N 3Å |
| 338 | Y | 98.5 | Very high | 97.2 | Very high | 7 Ų | 7 | 62.1 Ų | 62.1 | 3% | 0.027 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -55.7 | -29.5 | 176.6 | -175.1 | -118.1 | 0 | 0 | 0 | 113.8 | E156 R160 F246 P311 L315 H336 | E156-Y338 HydrophobicContact CG-CE2 4.49Å; R160-Y338 WeakPolarHBondContact CA-OH 3.48Å; R160-Y338 HydrophobicContact CB-CE1 4Å; R160-Y338 HydrophobicContact CB-CE2 4.36Å; R160-Y338 WeakPolarHBondContact CD-O 3.34Å; R160-Y338 HydrophobicContact CG-CD1 4.2Å; R160-Y338 HydrophobicContact CG-CE1 3.83Å; R160-Y338 HydrophobicContact CG-CE2 4.24Å; R160-Y338 WeakPolarHBondContact CG-O 3.49Å; R160-Y338 PolarHBondContact N-OH 3.37Å; R160-Y338 PolarHBondContact NE-O 3.41Å; F246-Y338 HydrophobicContact CE1-CD1 4.47Å; F246-Y338 HydrophobicContact CE1-CE1 4.11Å; F246-Y338 HydrophobicContact CE2-CE1 4.08Å; F246-Y338 HydrophobicContact CZ-CD1 4.11Å; F246-Y338 AromaticContact CZ-CE1 3.39Å; F246-Y338 HydrophobicContact CZ-CE1 3.39Å; F246-Y338 HydrophobicContact CZ-CE2 4.39Å; F246-Y338 AromaticContact CZ-CZ 3.55Å; P311-Y338 HydrophobicContact CB-CD2 4.22Å; L315-Y338 HydrophobicContact CD2-CD1 3.61Å; L315-Y338 HydrophobicContact CD2-CE1 4.46Å; L315-Y338 HydrophobicContact CD2-CG 4.22Å; H336-Y338 WeakPolarHBondContact ND1-CB 3.41Å; H336-Y338 PolarHBondContact ND1-N 3.09Å; H336-Y338 PolarHBondContact O-N 2.63Å; H336-Y338 VanDerWaalsContact O-N 3.13Å |
| 339 | F | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -103.4 | 8.4 | 179.1 | -57.2 | -50.7 | 0 | 0 | 0 | 114.2 | R160 M163 Y164 L315 A333 H336 A337 E341 L342 R343 | R160-F339 HydrophobicContact CG-CD1 3.89Å; R160-F339 HydrophobicContact CG-CE1 4.24Å; R160-F339 WeakPolarHBondContact O-CE1 3.39Å; M163-F339 HydrophobicContact CB-CE1 4Å; M163-F339 HydrophobicContact CB-CZ 3.91Å; Y164-F339 HydrophobicContact CD2-CB 3.59Å; Y164-F339 AromaticContact CD2-CD1 3.76Å; Y164-F339 HydrophobicContact CD2-CD1 3.76Å; Y164-F339 AromaticContact CD2-CD2 3.78Å; Y164-F339 HydrophobicContact CD2-CD2 3.78Å; Y164-F339 HydrophobicContact CD2-CE1 4.34Å; Y164-F339 HydrophobicContact CD2-CE2 4.37Å; Y164-F339 AromaticContact CD2-CG 3.45Å; Y164-F339 HydrophobicContact CD2-CG 3.45Å; Y164-F339 VanDerWaalsContact CD2-CG 3.45Å; Y164-F339 HydrophobicContact CE2-CB 3.88Å; Y164-F339 HydrophobicContact CE2-CD2 4.46Å; Y164-F339 HydrophobicContact CE2-CG 4.19Å; Y164-F339 HydrophobicContact CG-CD1 4.13Å; Y164-F339 HydrophobicContact CG-CG 4.27Å; L315-F339 HydrophobicContact CD2-CD2 4.38Å; L315-F339 HydrophobicContact CD2-CE1 4.48Å; L315-F339 HydrophobicContact CD2-CE2 3.58Å; L315-F339 HydrophobicContact CD2-CZ 3.64Å; A333-F339 WeakPolarHBondContact O-CD2 3.1Å; A333-F339 WeakPolarHBondContact O-CE2 3.19Å; H336-F339 PolarHBondContact O-N 3.2Å; A337-F339 PolarHBondContact O-N 3.17Å; A337-F339 VanDerWaalsContact O-N 3.14Å; F339-E341 VanDerWaalsContact C-N 3.31Å; F339-E341 PolarHBondContact O-N 3Å; F339-L342 HydrophobicContact CD1-CD1 4.37Å; F339-L342 PolarHBondContact O-N 2.76Å; F339-L342 VanDerWaalsContact O-N 3.15Å; F339-R343 PolarHBondContact O-N 3.48Å |
| 340 | R | 97.3 | Very high | 96.3 | Very high | 164 Ų | 164 | 66.6 Ų | 66.6 | 62% | 0.619 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -54.3 | -45.3 | -174.9 | -178.6 | -179.8 | 178.2 | -175.7 | 0.3 | 112.6 | A337 R343 L344 | A337-R340 VanDerWaalsContact O-CB 3.24Å; A337-R340 WeakPolarHBondContact O-CB 3Å; A337-R340 PolarHBondContact O-N 3Å; R340-R343 PolarHBondContact O-N 3.31Å; R340-L344 HydrophobicContact CG-CD1 3.98Å; R340-L344 WeakPolarHBondContact O-CB 3.38Å; R340-L344 VanDerWaalsContact O-CG 3.3Å; R340-L344 WeakPolarHBondContact O-CG 3.47Å; R340-L344 PolarHBondContact O-N 3.31Å |
| 341 | E | 96.2 | Very high | 95.9 | Very high | 130 Ų | 130 | 69.1 Ų | 69.1 | 61% | 0.607 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -62.9 | -42.5 | -179.5 | -65.8 | -179.9 | 159.6 | 0 | 0 | 112.4 | R160 F339 L344 A345 | R160-E341 IonicContact CZ-OE2 3.58Å; R160-E341 IonicContact NH1-OE2 3.56Å; R160-E341 PolarHBondContact NH1-OE2 3.1Å; F339-E341 VanDerWaalsContact C-N 3.31Å; F339-E341 PolarHBondContact O-N 3Å; E341-L344 PolarHBondContact O-N 2.82Å; E341-A345 WeakPolarHBondContact O-CB 3.47Å; E341-A345 PolarHBondContact O-N 2.84Å |
| 342 | L | 97.4 | Very high | 95.5 | Very high | 35 Ų | 35 | 66.7 Ų | 66.7 | 18% | 0.183 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.1 | -44.9 | 178.6 | -66.2 | 177.8 | 0 | 0 | 0 | 111.1 | R160 Y164 F339 L344 A345 E346 | R160-L342 HydrophobicContact CG-CD1 3.88Å; Y164-L342 HydrophobicContact CD1-CB 4.1Å; Y164-L342 HydrophobicContact CD1-CD1 3.93Å; Y164-L342 HydrophobicContact CE1-CB 4.18Å; Y164-L342 HydrophobicContact CG-CB 4.37Å; Y164-L342 HydrophobicContact CG-CD1 3.78Å; F339-L342 HydrophobicContact CD1-CD1 4.37Å; F339-L342 PolarHBondContact O-N 2.76Å; F339-L342 VanDerWaalsContact O-N 3.15Å; L342-L344 VanDerWaalsContact C-N 3.29Å; L342-L344 PolarHBondContact O-N 2.9Å; L342-A345 PolarHBondContact O-N 3.27Å; L342-A345 VanDerWaalsContact O-N 3.16Å; L342-E346 PolarHBondContact O-N 3.35Å |
| 343 | R | 96.6 | Very high | 94.7 | Very high | 34 Ų | 34 | 69.2 Ų | 69.2 | 13% | 0.128 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.4 | -39.2 | 174.4 | -72.3 | -158.4 | -58.7 | -74.3 | 3.1 | 112.8 | Y164 L334 Q335 H336 F339 R340 R347 | Y164-R343 HydrophobicContact CE2-CG 4.08Å; L334-R343 WeakPolarHBondContact O-CD 3.4Å; L334-R343 PolarHBondContact O-NH1 3.46Å; Q335-R343 VanDerWaalsContact C-CZ 3.5Å; Q335-R343 VanDerWaalsContact O-CZ 3.23Å; Q335-R343 PolarHBondContact O-NH1 3.02Å; Q335-R343 PolarHBondContact O-NH2 3.42Å; H336-R343 PolarHBondContact O-NH1 3.23Å; F339-R343 PolarHBondContact O-N 3.48Å; R340-R343 PolarHBondContact O-N 3.31Å; R343-R347 WeakPolarHBondContact O-CG 3.4Å; R343-R347 PolarHBondContact O-N 3.5Å; R343-R347 VanDerWaalsContact O-N 3.14Å |
| 344 | L | 96.1 | Very high | 94 | Very high | 58 Ų | 58 | 77.2 Ų | 77.2 | 30% | 0.304 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -69.5 | -38.9 | 176.6 | -74.2 | 169.6 | 0 | 0 | 0 | 111.5 | R340 E341 L342 R348 | R340-L344 HydrophobicContact CG-CD1 3.98Å; R340-L344 WeakPolarHBondContact O-CB 3.38Å; R340-L344 VanDerWaalsContact O-CG 3.3Å; R340-L344 WeakPolarHBondContact O-CG 3.47Å; R340-L344 PolarHBondContact O-N 3.31Å; E341-L344 PolarHBondContact O-N 2.82Å; L342-L344 VanDerWaalsContact C-N 3.29Å; L342-L344 PolarHBondContact O-N 2.9Å; L344-R348 WeakPolarHBondContact O-CG 3.45Å; L344-R348 PolarHBondContact O-N 2.87Å |
| 345 | A | 95 | Very high | 93.3 | Very high | 42 Ų | 42 | 78.8 Ų | 78.8 | 35% | 0.347 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E341 L342 R348 A349 | E341-A345 WeakPolarHBondContact O-CB 3.47Å; E341-A345 PolarHBondContact O-N 2.84Å; L342-A345 PolarHBondContact O-N 3.27Å; L342-A345 VanDerWaalsContact O-N 3.16Å; A345-R348 PolarHBondContact O-N 3.38Å; A345-A349 PolarHBondContact O-N 3.45Å |
| 346 | E | 93.5 | Very high | 92.4 | Very high | 65 Ų | 65 | 76.6 Ų | 76.6 | 30% | 0.304 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.8 | -49.8 | 174.9 | -75.3 | -176.8 | 149.7 | 0 | 0 | 111.2 | Y164 K168 L342 R348 A349 D350 | Y164-E346 WeakPolarHBondContact CE1-OE1 3.35Å; Y164-E346 WeakPolarHBondContact CE1-OE2 3.41Å; Y164-E346 PolarHBondContact OH-OE2 3.45Å; K168-E346 IonicContact NZ-OE1 2.92Å; K168-E346 PolarHBondContact NZ-OE1 3.27Å; L342-E346 PolarHBondContact O-N 3.35Å; E346-R348 VanDerWaalsContact C-N 3.28Å; E346-R348 PolarHBondContact O-N 3.19Å; E346-A349 WeakPolarHBondContact O-CA 3.48Å; E346-A349 WeakPolarHBondContact O-CB 3.14Å; E346-A349 PolarHBondContact O-N 3.33Å; E346-D350 VanDerWaalsContact O-CG 3.28Å; E346-D350 PolarHBondContact O-N 2.82Å |
| 347 | R | 92.7 | Very high | 91.1 | Very high | 144 Ų | 144 | 77.5 Ų | 77.5 | 54% | 0.543 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58.4 | -37.2 | 177.9 | -76.1 | -171.6 | -71.8 | -175.3 | -2.6 | 113.7 | R343 S351 | R343-R347 WeakPolarHBondContact O-CG 3.4Å; R343-R347 PolarHBondContact O-N 3.5Å; R343-R347 VanDerWaalsContact O-N 3.14Å; R347-S351 WeakPolarHBondContact O-CB 3.35Å; R347-S351 PolarHBondContact O-N 3.13Å; R347-S351 VanDerWaalsContact O-N 3.08Å; R347-S351 PolarHBondContact O-OG 2.77Å |
| 348 | R | 93.6 | Very high | 89.6 | Confident | 153 Ų | 153 | 79.7 Ų | 79.7 | 58% | 0.577 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -66.8 | -43.3 | 174.6 | -76 | -170.7 | -60 | -95.1 | -0 | 111.4 | L344 A345 E346 S351 L352 | L344-R348 WeakPolarHBondContact O-CG 3.45Å; L344-R348 PolarHBondContact O-N 2.87Å; A345-R348 PolarHBondContact O-N 3.38Å; E346-R348 VanDerWaalsContact C-N 3.28Å; E346-R348 PolarHBondContact O-N 3.19Å; R348-S351 PolarHBondContact O-N 3.06Å; R348-L352 PolarHBondContact O-N 3.47Å |
| 349 | A | 90.3 | Very high | 87.8 | Confident | 33 Ų | 33 | 85.1 Ų | 85.1 | 27% | 0.273 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A345 E346 S351 L352 H353 | A345-A349 PolarHBondContact O-N 3.45Å; E346-A349 WeakPolarHBondContact O-CA 3.48Å; E346-A349 WeakPolarHBondContact O-CB 3.14Å; E346-A349 PolarHBondContact O-N 3.33Å; A349-S351 VanDerWaalsContact C-N 3.32Å; A349-S351 PolarHBondContact O-N 2.91Å; A349-L352 PolarHBondContact O-N 2.93Å; A349-H353 PolarHBondContact O-N 2.92Å |
| 350 | D | 89.1 | Confident | 85.7 | Confident | 92 Ų | 92 | 92 Ų | 92 | 49% | 0.492 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.1 | -37.5 | 178.1 | -62.9 | -23.3 | 0 | 0 | 0 | 112.2 | E346 H353 R354 | E346-D350 VanDerWaalsContact O-CG 3.28Å; E346-D350 PolarHBondContact O-N 2.82Å; D350-H353 PolarHBondContact O-N 3.46Å; D350-R354 WeakPolarHBondContact O-CG 3.32Å; D350-R354 PolarHBondContact O-N 3.06Å; D350-R354 PolarHBondContact O-NE 3.35Å |
| 351 | S | 90.4 | Very high | 83.3 | Confident | 60 Ų | 60 | 87.5 Ų | 87.5 | 42% | 0.42 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -69.1 | -40.8 | 177.5 | -56.4 | 0 | 0 | 0 | 0 | 111.4 | R347 R348 A349 R354 A355 | R347-S351 WeakPolarHBondContact O-CB 3.35Å; R347-S351 PolarHBondContact O-N 3.13Å; R347-S351 VanDerWaalsContact O-N 3.08Å; R347-S351 PolarHBondContact O-OG 2.77Å; R348-S351 PolarHBondContact O-N 3.06Å; A349-S351 VanDerWaalsContact C-N 3.32Å; A349-S351 PolarHBondContact O-N 2.91Å; S351-R354 PolarHBondContact O-N 3.3Å; S351-A355 WeakPolarHBondContact O-CB 3.48Å; S351-A355 PolarHBondContact O-N 2.75Å |
| 352 | L | 88.4 | Confident | 80.9 | Confident | 101 Ų | 101 | 84.3 Ų | 84.3 | 53% | 0.529 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.2 | -42 | 174 | -179 | 62.2 | 0 | 0 | 0 | 111.7 | R348 A349 R354 A355 I356 | R348-L352 PolarHBondContact O-N 3.47Å; A349-L352 PolarHBondContact O-N 2.93Å; L352-R354 VanDerWaalsContact C-N 3.35Å; L352-R354 PolarHBondContact O-N 3.24Å; L352-A355 PolarHBondContact O-N 2.98Å; L352-I356 HydrophobicContact CD1-CD1 4.01Å; L352-I356 HydrophobicContact CD1-CG1 4.25Å; L352-I356 HydrophobicContact CG-CD1 3.86Å; L352-I356 HydrophobicContact CG-CG1 4.48Å; L352-I356 WeakPolarHBondContact O-CG1 3.24Å; L352-I356 PolarHBondContact O-N 3.42Å |
| 353 | H | 81.8 | Confident | 78.3 | Confident | 105 Ų | 105 | 91 Ų | 91 | 49% | 0.486 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 178.5 | -170.3 | 59.5 | 0 | 0 | 0 | 112 | A349 D350 I356 G357 | A349-H353 PolarHBondContact O-N 2.92Å; D350-H353 PolarHBondContact O-N 3.46Å; H353-I356 PolarHBondContact O-N 3.09Å; H353-G357 PolarHBondContact O-N 3.01Å |
| 354 | R | 84.3 | Confident | 75.5 | Confident | 167 Ų | 167 | 95.1 Ų | 95.1 | 63% | 0.63 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.2 | -42.4 | 173.3 | -74.3 | -176.8 | -69.9 | -173.8 | 3 | 112.1 | D350 S351 L352 G357 T358 | D350-R354 WeakPolarHBondContact O-CG 3.32Å; D350-R354 PolarHBondContact O-N 3.06Å; D350-R354 PolarHBondContact O-NE 3.35Å; S351-R354 PolarHBondContact O-N 3.3Å; L352-R354 VanDerWaalsContact C-N 3.35Å; L352-R354 PolarHBondContact O-N 3.24Å; R354-G357 PolarHBondContact O-N 3.3Å; R354-T358 WeakPolarHBondContact O-CG2 3.29Å; R354-T358 PolarHBondContact O-N 2.99Å; R354-T358 PolarHBondContact O-OG1 2.63Å; R354-T358 VanDerWaalsContact O-OG1 3.12Å |
| 355 | A | 83.6 | Confident | 72.9 | Confident | 49 Ų | 49 | 98.5 Ų | 98.5 | 41% | 0.405 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.4 | -40.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S351 L352 T358 V359 | S351-A355 WeakPolarHBondContact O-CB 3.48Å; S351-A355 PolarHBondContact O-N 2.75Å; L352-A355 PolarHBondContact O-N 2.98Å; A355-T358 WeakPolarHBondContact CA-OG1 3.44Å; A355-T358 PolarHBondContact O-N 3.3Å; A355-T358 PolarHBondContact O-OG1 2.87Å; A355-V359 WeakPolarHBondContact O-CG2 3.49Å; A355-V359 PolarHBondContact O-N 3.13Å |
| 356 | I | 80.3 | Confident | 70 | Confident | 78 Ų | 78 | 99.9 Ų | 99.9 | 40% | 0.4 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68 | -44.6 | 176.2 | -66.7 | 168.2 | 0 | 0 | 0 | 110.6 | L352 H353 T358 V359 E360 | L352-I356 HydrophobicContact CD1-CD1 4.01Å; L352-I356 HydrophobicContact CD1-CG1 4.25Å; L352-I356 HydrophobicContact CG-CD1 3.86Å; L352-I356 HydrophobicContact CG-CG1 4.48Å; L352-I356 WeakPolarHBondContact O-CG1 3.24Å; L352-I356 PolarHBondContact O-N 3.42Å; H353-I356 PolarHBondContact O-N 3.09Å; I356-T358 PolarHBondContact O-N 3.24Å; I356-V359 PolarHBondContact O-N 2.95Å; I356-E360 PolarHBondContact O-N 2.76Å |
| 357 | G | 71.5 | Confident | 67.3 | Low | 44 Ų | 44 | 103 Ų | 103 | 45% | 0.454 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -61.6 | -30 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | H353 R354 G361 | H353-G357 PolarHBondContact O-N 3.01Å; R354-G357 PolarHBondContact O-N 3.3Å; G357-G361 PolarHBondContact O-N 3.21Å |
| 358 | T | 67.3 | Low | 64.8 | Low | 113 Ų | 113 | 101.6 Ų | 101.6 | 69% | 0.693 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -75.1 | -23 | 173 | 47.8 | 0 | 0 | 0 | 0 | 113.9 | R354 A355 I356 | R354-T358 WeakPolarHBondContact O-CG2 3.29Å; R354-T358 PolarHBondContact O-N 2.99Å; R354-T358 PolarHBondContact O-OG1 2.63Å; R354-T358 VanDerWaalsContact O-OG1 3.12Å; A355-T358 WeakPolarHBondContact CA-OG1 3.44Å; A355-T358 PolarHBondContact O-N 3.3Å; A355-T358 PolarHBondContact O-OG1 2.87Å; I356-T358 PolarHBondContact O-N 3.24Å |
| 359 | V | 60.2 | Low | 62.1 | Low | 121 Ų | 121 | 101.7 Ų | 101.7 | 73% | 0.733 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -85.4 | -32.1 | 177.5 | 174.8 | 0 | 0 | 0 | 0 | 111.2 | A355 I356 | A355-V359 WeakPolarHBondContact O-CG2 3.49Å; A355-V359 PolarHBondContact O-N 3.13Å; I356-V359 PolarHBondContact O-N 2.95Å |
| 360 | E | 53.7 | Low | 60.1 | Low | 144 Ų | 144 | 104.5 Ų | 104.5 | 67% | 0.673 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -84.5 | -10.9 | 177.9 | -69.4 | -177.6 | 163.3 | 0 | 0 | 114.1 | I356 G362 Q363 | I356-E360 PolarHBondContact O-N 2.76Å; E360-G362 PolarHBondContact O-N 3.27Å; E360-Q363 PolarHBondContact O-N 3.43Å |
| 361 | G | 48.2 | Very low | 57.8 | Low | 70 Ų | 70 | 103.3 Ų | 103.3 | 72% | 0.722 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | 7.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | G357 | G357-G361 PolarHBondContact O-N 3.21Š|
| 362 | G | 45.4 | Very low | 55.6 | Low | 62 Ų | 62 | 106.7 Ų | 106.7 | 64% | 0.639 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -11.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | E360 | E360-G362 PolarHBondContact O-N 3.27Š|
| 363 | Q | 42.2 | Very low | 53.3 | Low | 175 Ų | 175 | 107.2 Ų | 107.2 | 82% | 0.818 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -165.4 | 128.8 | 175.5 | -110 | 158.1 | 70.1 | 0 | 0 | 114.3 | E360 | E360-Q363 PolarHBondContact O-N 3.43Š|
| 364 | S | 38 | Very low | 50.9 | Low | 122 Ų | 122 | 108.5 Ų | 108.5 | 85% | 0.853 | 66% | 0.664 | S | S | * | * | trans | 85.4 | 122.7 | 161 | 78.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 365 | S | 41.1 | Very low | 48.8 | Very low | 128 Ų | 128 | 107.2 Ų | 107.2 | 90% | 0.895 | 66% | 0.659 | S | S | * | * | trans | -72 | 127.6 | 171.5 | 49.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 366 | G | 34.6 | Very low | 46.8 | Very low | 72 Ų | 72 | 111.8 Ų | 111.8 | 74% | 0.742 | 67% | 0.666 | S | S | * | * | trans | -167.3 | 127.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 367 | T | 35.6 | Very low | 44.4 | Very low | 129 Ų | 129 | 114.6 Ų | 114.6 | 79% | 0.791 | 68% | 0.679 | S | S | * | * | trans | -51 | 139.1 | -173.4 | 47.6 | 0 | 0 | 0 | 0 | 115.4 | N369 | T367-N369 PolarHBondContact O-N 3.36Å; T367-N369 VanDerWaalsContact O-N 3.15Å | ||
| 368 | P | 41.4 | Very low | 42.7 | Very low | 115 Ų | 115 | 116.7 Ų | 116.7 | 75% | 0.747 | 69% | 0.692 | S | S | * | * | trans | -91.3 | 80.1 | -178.1 | 36.2 | -31.1 | 0 | 0 | 0 | 110.8 | ||||
| 369 | N | 36.5 | Very low | 41.4 | Very low | 156 Ų | 156 | 120.5 Ų | 120.5 | 83% | 0.834 | 69% | 0.694 | S | S | * | * | trans | -125.1 | 118.1 | 161.8 | -92.5 | -22.8 | 0 | 0 | 0 | 108.5 | T367 | T367-N369 PolarHBondContact O-N 3.36Å; T367-N369 VanDerWaalsContact O-N 3.15Å | ||
| 370 | S | 48.4 | Very low | 40.5 | Very low | 91 Ų | 91 | 122.6 Ų | 122.6 | 64% | 0.636 | 70% | 0.696 | S | S | * | * | trans | 97.3 | 53.8 | 177.7 | -166.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 371 | V | 40.8 | Very low | 39.3 | Very low | 67 Ų | 67 | 119.1 Ų | 119.1 | 41% | 0.406 | 70% | 0.699 | S | S | . | * | trans | -93.8 | -19.9 | 167.5 | -156.1 | 0 | 0 | 0 | 0 | 112.4 | H373 M374 | V371-H373 PolarHBondContact O-N 3Å; V371-M374 HydrophobicContact CG1-CE 4.11Å; V371-M374 PolarHBondContact O-N 3.39Å | ||
| 372 | D | 44.5 | Very low | 38.7 | Very low | 131 Ų | 131 | 127.8 Ų | 127.8 | 70% | 0.701 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -14.9 | -177.5 | -135.5 | 19.9 | 0 | 0 | 0 | 113.3 | ||
| 373 | H | 40.1 | Very low | 38 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 52% | 0.519 | 72% | 0.719 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.5 | -18.6 | 179.5 | -140.2 | -62.2 | 0 | 0 | 0 | 113.4 | V371 R376 | V371-H373 PolarHBondContact O-N 3Å; H373-R376 PolarHBondContact CD2-NH2 3.44Å; H373-R376 PolarHBondContact CE1-NH2 3.05Å; H373-R376 VanDerWaalsContact CE1-NH2 3.27Å; H373-R376 PolarHBondContact NE2-NH2 3.07Å |
| 374 | M | 31.4 | Very low | 37.7 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 66% | 0.655 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -31.8 | 176.8 | -97.3 | -174.4 | -70.7 | 0 | 0 | 113 | V371 R376 M377 | V371-M374 HydrophobicContact CG1-CE 4.11Å; V371-M374 PolarHBondContact O-N 3.39Å; M374-R376 PolarHBondContact O-N 3.01Å; M374-M377 PolarHBondContact O-N 2.96Å; M374-M377 VanDerWaalsContact O-N 3.15Å |
| 375 | W | 39.3 | Very low | 37.3 | Very low | 140 Ų | 140 | 136.9 Ų | 136.9 | 53% | 0.53 | 71% | 0.712 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65 | -12.6 | -178.1 | -77.5 | 101.6 | 0 | 0 | 0 | 114.7 | ||
| 376 | R | 41.3 | Very low | 36.6 | Very low | 144 Ų | 144 | 138.5 Ų | 138.5 | 54% | 0.543 | 71% | 0.711 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.5 | -24.1 | 175.3 | -101.9 | -176.7 | -80 | 157.1 | -0.9 | 114.1 | H373 M374 | H373-R376 PolarHBondContact CD2-NH2 3.44Å; H373-R376 PolarHBondContact CE1-NH2 3.05Å; H373-R376 VanDerWaalsContact CE1-NH2 3.27Å; H373-R376 PolarHBondContact NE2-NH2 3.07Å; M374-R376 PolarHBondContact O-N 3.01Å |
| 377 | M | 31.3 | Very low | 36.4 | Very low | 137 Ų | 137 | 142.8 Ų | 142.8 | 68% | 0.675 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -84.9 | -24.7 | -171.8 | -70.5 | -98.2 | 65.6 | 0 | 0 | 113.7 | M374 R379 | M374-M377 PolarHBondContact O-N 2.96Å; M374-M377 VanDerWaalsContact O-N 3.15Å; M377-R379 PolarHBondContact O-N 2.83Å; M377-R379 VanDerWaalsContact O-N 3.14Å |
| 378 | A | 35.2 | Very low | 36 | Very low | 89 Ų | 89 | 146.1 Ų | 146.1 | 74% | 0.736 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -76.1 | 0.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 379 | R | 40.6 | Very low | 35.4 | Very low | 192 Ų | 192 | 149.6 Ų | 149.6 | 73% | 0.725 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -116.5 | 4.1 | 178.8 | -73.6 | -166 | -81.4 | 173.2 | -5.8 | 115.4 | M377 | M377-R379 PolarHBondContact O-N 2.83Å; M377-R379 VanDerWaalsContact O-N 3.14Å |
| 380 | Q | 40.9 | Very low | 34.9 | Very low | 166 Ų | 166 | 149.1 Ų | 149.1 | 78% | 0.776 | 73% | 0.726 | S | S | * | * | trans | -118.3 | 84.1 | 171.1 | -87.1 | 179.2 | -5.6 | 0 | 0 | 111.2 | ||||
| 381 | G | 28.8 | Very low | 33.9 | Very low | 71 Ų | 71 | 149.2 Ų | 149.2 | 73% | 0.732 | 73% | 0.733 | S | S | * | * | trans | -146.5 | 60.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 382 | R | 35.3 | Very low | 33.2 | Very low | 251 Ų | 251 | 155.2 Ų | 155.2 | 95% | 0.947 | 76% | 0.757 | S | S | * | * | trans | -119.9 | 88 | 153.7 | -78.8 | -168.8 | -176.6 | -173.9 | 1.4 | 107.8 | ||||
| 383 | R | 31.7 | Very low | 32.4 | Very low | 220 Ų | 220 | 154.6 Ų | 154.6 | 83% | 0.83 | 76% | 0.76 | S | S | * | * | trans | -80.6 | 116.2 | 166.2 | -88 | -177.8 | 167.8 | 177.3 | -3.2 | 108.4 | ||||
| 384 | H | 34.2 | Very low | 31.6 | Very low | 181 Ų | 181 | 159.9 Ų | 159.9 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | trans | -63.4 | 128.5 | 146.9 | -82.7 | 68.2 | 0 | 0 | 0 | 107.5 | ||||
| 385 | H | 30.2 | Very low | 31.5 | Very low | 149 Ų | 149 | 161.9 Ų | 161.9 | 69% | 0.69 | 79% | 0.786 | S | S | * | * | trans | -143.3 | 120.5 | 152.3 | -91.6 | -58.8 | 0 | 0 | 0 | 111 | ||||
| 386 | N | 27.3 | Very low | 30.8 | Very low | 163 Ų | 163 | 165.4 Ų | 165.4 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -48 | 130.5 | 157.3 | -81.2 | -27 | 0 | 0 | 0 | 110.5 | ||
| 387 | I | 28.8 | Very low | 30.2 | Very low | 162 Ų | 162 | 170.1 Ų | 170.1 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 120.2 | 171.4 | -65.9 | 173.3 | 0 | 0 | 0 | 108.1 | ||
| 388 | K | 28.5 | Very low | 29.9 | Very low | 198 Ų | 198 | 170.5 Ų | 170.5 | 86% | 0.861 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 133.6 | 162.7 | -80.3 | -177.5 | 173.5 | -177.3 | 0 | 108.6 | ||
| 389 | H | 27.7 | Very low | 29.4 | Very low | 189 Ų | 189 | 172.6 Ų | 172.6 | 88% | 0.875 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 130.8 | 172.9 | -82.7 | -88.4 | 0 | 0 | 0 | 112.5 | ||
| 390 | V | 27.1 | Very low | 28.6 | Very low | 145 Ų | 145 | 171.1 Ų | 171.1 | 88% | 0.879 | 82% | 0.821 | S | S | * | * | trans | -137.8 | 133.6 | 149.6 | -179.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 391 | A | 26.1 | Very low | 27.9 | Very low | 93 Ų | 93 | 172.3 Ų | 172.3 | 77% | 0.769 | 83% | 0.826 | S | S | * | * | trans | -95 | 147.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 392 | E | 25.9 | Very low | 27.9 | Very low | 194 Ų | 194 | 178.3 Ų | 178.3 | 91% | 0.907 | 83% | 0.828 | S | S | * | * | trans | -160.3 | 161.7 | 155.3 | -108 | -168.4 | 172.7 | 0 | 0 | 110.4 | ||||
| 393 | P | 29.4 | Very low | 27.6 | Very low | 118 Ų | 118 | 172.3 Ų | 172.3 | 77% | 0.766 | 82% | 0.822 | S | S | * | * | -107 | 167.5 | -129.1 | 8 | 15.1 | 0 | 0 | 0 | 115.9 | |||||
| 394 | R | 23.6 | Very low | 27.5 | Very low | 223 Ų | 223 | 168.4 Ų | 168.4 | 84% | 0.842 | 82% | 0.822 | S | S | * | * | trans | -57.7 | 133.6 | -176.5 | -63.7 | 170.3 | 168.6 | 171.4 | -3.1 | 114.3 | ||||
| 395 | I | 27.9 | Very low | 27.2 | Very low | 174 Ų | 174 | 168.5 Ų | 168.5 | 89% | 0.892 | 82% | 0.823 | S | S | * | * | trans | -124.7 | 120 | 147.1 | -62.4 | -179.6 | 0 | 0 | 0 | 107.9 | ||||
| 396 | R | 25.2 | Very low | 27.2 | Very low | 214 Ų | 214 | 169.2 Ų | 169.2 | 81% | 0.808 | 83% | 0.831 | S | S | * | * | trans | -89.6 | 140.4 | 176.5 | -81 | 179.3 | 166.5 | -179.9 | -4.4 | 110.3 | ||||
| 397 | R | 27.7 | Very low | 27.3 | Very low | 244 Ų | 244 | 167.3 Ų | 167.3 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | trans | 177.8 | 100.6 | 136.7 | -95.4 | 161.5 | -172.6 | 172.6 | 3.1 | 107.4 | ||||
| 398 | N | 25.1 | Very low | 27.2 | Very low | 145 Ų | 145 | 169.3 Ų | 169.3 | 78% | 0.775 | 83% | 0.83 | S | S | * | * | 81.9 | 122.5 | 89.6 | -116.8 | 13.4 | 0 | 0 | 0 | 114.9 | |||||
| 399 | I | 25.6 | Very low | 27.1 | Very low | 133 Ų | 133 | 167.3 Ų | 167.3 | 68% | 0.682 | 83% | 0.828 | S | S | * | * | trans | 82.3 | 136 | 149.4 | -57.9 | 163.2 | 0 | 0 | 0 | 115.6 | ||||
| 400 | Q | 24.3 | Very low | 27.2 | Very low | 160 Ų | 160 | 165.8 Ų | 165.8 | 75% | 0.748 | 83% | 0.826 | S | S | * | * | cis | -158.4 | 155.4 | 2 | -127 | 158.8 | -2.6 | 0 | 0 | 108.5 | ||||
| 401 | H | 25.6 | Very low | 27.4 | Very low | 191 Ų | 191 | 164 Ų | 164 | 88% | 0.884 | 82% | 0.815 | S | S | * | * | trans | -85 | 132.6 | 172.7 | -82.8 | -80.8 | 0 | 0 | 0 | 112.2 | ||||
| 402 | Y | 28.1 | Very low | 27.5 | Very low | 197 Ų | 197 | 165.9 Ų | 165.9 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | trans | -132.1 | 139.3 | 156.1 | -84.7 | -82.9 | 0 | 0 | 0 | 109.4 | ||||
| 403 | P | 28.8 | Very low | 27.8 | Very low | 125 Ų | 125 | 162.3 Ų | 162.3 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | trans | -86.2 | 131.9 | 173.7 | 33.3 | -27.4 | 0 | 0 | 0 | 109.5 | ||||
| 404 | V | 29.7 | Very low | 28 | Very low | 138 Ų | 138 | 162.2 Ų | 162.2 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | trans | -112 | 119.3 | 172.4 | 178.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 405 | E | 28.3 | Very low | 28.2 | Very low | 183 Ų | 183 | 155.9 Ų | 155.9 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 148.9 | 173.4 | -65.9 | 177.5 | 136.5 | 0 | 0 | 112.3 | ||
| 406 | L | 30.3 | Very low | 28.5 | Very low | 165 Ų | 165 | 153.3 Ų | 153.3 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 136 | 172.6 | -75.5 | 158.8 | 0 | 0 | 0 | 110.5 | ||
| 407 | P | 28.9 | Very low | 28.7 | Very low | 123 Ų | 123 | 151.8 Ų | 151.8 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 133.9 | 176.9 | -12.4 | 26.2 | 0 | 0 | 0 | 112.4 | ||
| 408 | K | 28 | Very low | 29 | Very low | 204 Ų | 204 | 146.5 Ų | 146.5 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 123.6 | 168.6 | -68.5 | 173.7 | 179.8 | 172.6 | 0 | 109.9 | ||
| 409 | L | 26.9 | Very low | 29 | Very low | 156 Ų | 156 | 145.5 Ų | 145.5 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | trans | -94.9 | 106.7 | 171.3 | -153.1 | 85.6 | 0 | 0 | 0 | 109.3 | V411 | L409-V411 HydrophobicContact CD2-CG2 3.79Å; L409-V411 HydrophobicContact CG-CG2 4.28Å; L409-V411 PolarHBondContact O-N 2.84Å | ||
| 410 | N | 27.9 | Very low | 29.4 | Very low | 157 Ų | 157 | 149 Ų | 149 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | trans | -74.8 | 115 | 166.5 | -82.5 | -19.3 | 0 | 0 | 0 | 108.8 | ||||
| 411 | V | 31.6 | Very low | 29.9 | Very low | 106 Ų | 106 | 146.7 Ų | 146.7 | 64% | 0.642 | 79% | 0.793 | S | S | * | * | trans | -114.6 | 103.5 | 167.8 | -177.7 | 0 | 0 | 0 | 0 | 108.2 | L409 V413 | L409-V411 HydrophobicContact CD2-CG2 3.79Å; L409-V411 HydrophobicContact CG-CG2 4.28Å; L409-V411 PolarHBondContact O-N 2.84Å; V411-V413 HydrophobicContact CG1-CG2 4.3Å | ||
| 412 | V | 28.8 | Very low | 30.1 | Very low | 134 Ų | 134 | 144.3 Ų | 144.3 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 119.8 | 167.3 | 174.7 | 0 | 0 | 0 | 0 | 107.4 | ||
| 413 | V | 33 | Very low | 30.1 | Very low | 119 Ų | 119 | 140.6 Ų | 140.6 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -102 | 122.9 | 172.7 | 179.1 | 0 | 0 | 0 | 0 | 108.1 | V411 | V411-V413 HydrophobicContact CG1-CG2 4.3Š|
| 414 | P | 32.9 | Very low | 30.2 | Very low | 115 Ų | 115 | 140.4 Ų | 140.4 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 126.3 | 171.6 | -3 | 19.1 | 0 | 0 | 0 | 110.3 | ||
| 415 | A | 27.5 | Very low | 30.5 | Very low | 90 Ų | 90 | 140.4 Ų | 140.4 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 136.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 416 | P | 34.2 | Very low | 30.7 | Very low | 120 Ų | 120 | 137.2 Ų | 137.2 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 119.2 | 157.2 | 6.3 | 12.1 | 0 | 0 | 0 | 109.5 | ||
| 417 | Q | 29.9 | Very low | 30.6 | Very low | 182 Ų | 182 | 133.9 Ų | 133.9 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 122.1 | 167.4 | -63 | -161.1 | 6.8 | 0 | 0 | 109.5 | ||
| 418 | I | 32.9 | Very low | 30.6 | Very low | 133 Ų | 133 | 136.5 Ų | 136.5 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | trans | -125.7 | 113.7 | 164.3 | -60.3 | 179.6 | 0 | 0 | 0 | 107.3 | ||||
| 419 | T | 26 | Very low | 30.6 | Very low | 125 Ų | 125 | 132.3 Ų | 132.3 | 77% | 0.767 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 125.9 | 180 | -32.5 | 0 | 0 | 0 | 0 | 109.6 | ||
| 420 | Y | 33.3 | Very low | 30.6 | Very low | 205 Ų | 205 | 132.1 Ų | 132.1 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 124.3 | 171.2 | -68.2 | -81.7 | 0 | 0 | 0 | 109.9 | ||
| 421 | P | 34.8 | Very low | 30.6 | Very low | 113 Ų | 113 | 131 Ų | 131 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 124.7 | 169.7 | 29.1 | -28.8 | 0 | 0 | 0 | 110.8 | T423 | P421-T423 PolarHBondContact O-N 2.88Š|
| 422 | V | 29.9 | Very low | 30.6 | Very low | 140 Ų | 140 | 134.7 Ų | 134.7 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 121 | 165.4 | 174.1 | 0 | 0 | 0 | 0 | 107.9 | ||
| 423 | T | 29.3 | Very low | 30.6 | Very low | 120 Ų | 120 | 134.9 Ų | 134.9 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | trans | -119.4 | 113.7 | 170.4 | -41 | 0 | 0 | 0 | 0 | 109.4 | P421 | P421-T423 PolarHBondContact O-N 2.88Š| ||
| 424 | T | 30.9 | Very low | 30.4 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 133.5 | 170.2 | 38.4 | 0 | 0 | 0 | 0 | 111.6 | ||
| 425 | V | 34 | Very low | 30.4 | Very low | 137 Ų | 137 | 133 Ų | 133 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -81 | 133.6 | 174.1 | -163.2 | 0 | 0 | 0 | 0 | 109.2 | ||
| 426 | P | 33.5 | Very low | 30.9 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 143.8 | 172.3 | -3.5 | 20 | 0 | 0 | 0 | 111.5 | ||
| 427 | A | 27.8 | Very low | 30.8 | Very low | 94 Ų | 94 | 137 Ų | 137 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 137.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 428 | L | 29.5 | Very low | 31 | Very low | 178 Ų | 178 | 134 Ų | 134 | 93% | 0.932 | 80% | 0.799 | S | S | * | * | trans | -124.5 | 125.9 | 158.7 | -81 | 171.2 | 0 | 0 | 0 | 109.2 | ||||
| 429 | T | 27.7 | Very low | 30.8 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 71% | 0.712 | 80% | 0.804 | S | S | * | * | trans | -93.1 | 138.5 | -178.4 | 25.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 430 | I | 27.6 | Very low | 31 | Very low | 152 Ų | 152 | 135.8 Ų | 135.8 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | trans | 75.5 | 128.1 | 143.7 | -56 | 162.6 | 0 | 0 | 0 | 115.2 | ||||
| 431 | T | 28.4 | Very low | 30.8 | Very low | 134 Ų | 134 | 131.6 Ų | 131.6 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | -147.7 | 144.7 | 60.3 | 39.8 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 432 | H | 30 | Very low | 30.5 | Very low | 183 Ų | 183 | 131.6 Ų | 131.6 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | trans | -58.3 | 151.5 | 169.5 | -102.7 | -104.9 | 0 | 0 | 0 | 115.4 | ||||
| 433 | C | 29.2 | Very low | 30.4 | Very low | 138 Ų | 138 | 134.8 Ų | 134.8 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | trans | -166.2 | 120.6 | 133.3 | -106.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 434 | G | 28.5 | Very low | 30.4 | Very low | 75 Ų | 75 | 138.2 Ų | 138.2 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | trans | 97.6 | 89.6 | 147.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 435 | S | 33.6 | Very low | 30 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 84% | 0.839 | 82% | 0.818 | S | S | * | * | trans | -41.2 | 179.2 | 165.4 | -41.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 436 | P | 37.8 | Very low | 29.7 | Very low | 122 Ų | 122 | 140.4 Ų | 140.4 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | -131.5 | 152.2 | -54.2 | 35.6 | -18.8 | 0 | 0 | 0 | 113.3 | |||||
| 437 | L | 31.8 | Very low | 29.3 | Very low | 173 Ų | 173 | 142.4 Ų | 142.4 | 91% | 0.906 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 144.1 | 168.6 | -77.4 | 165.9 | 0 | 0 | 0 | 111.1 | ||
| 438 | P | 35.1 | Very low | 29.2 | Very low | 118 Ų | 118 | 149.9 Ų | 149.9 | 77% | 0.766 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 154.5 | -170 | 32 | -33.6 | 0 | 0 | 0 | 114.6 | ||
| 439 | V | 29.1 | Very low | 29.1 | Very low | 129 Ų | 129 | 149.4 Ų | 149.4 | 78% | 0.782 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 133.1 | -173.2 | 175 | 0 | 0 | 0 | 0 | 113.2 | T441 | V439-T441 HydrophobicContact CG1-CG2 4.17Š|
| 440 | I | 30.2 | Very low | 29.1 | Very low | 167 Ų | 167 | 148.6 Ų | 148.6 | 86% | 0.856 | 83% | 0.833 | S | S | * | * | trans | -90.4 | 114.4 | 168.8 | -63.4 | 172.2 | 0 | 0 | 0 | 108.7 | ||||
| 441 | T | 28.8 | Very low | 29.1 | Very low | 117 Ų | 117 | 151.1 Ų | 151.1 | 72% | 0.718 | 84% | 0.838 | S | S | * | * | trans | -101.9 | 130.9 | 168.5 | 52 | 0 | 0 | 0 | 0 | 111.3 | V439 | V439-T441 HydrophobicContact CG1-CG2 4.17Š| ||
| 442 | S | 28.4 | Very low | 29.4 | Very low | 112 Ų | 112 | 150.3 Ų | 150.3 | 78% | 0.783 | 84% | 0.835 | S | S | * | * | trans | -72.8 | 135.8 | 175.5 | 107.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 443 | K | 28.3 | Very low | 29.2 | Very low | 208 Ų | 208 | 153.5 Ų | 153.5 | 90% | 0.904 | 84% | 0.84 | S | S | * | * | trans | -142.2 | 144.4 | 154.8 | -74.7 | -165.3 | 179.5 | 176.2 | 0 | 112.6 | ||||
| 444 | K | 27.5 | Very low | 29.2 | Very low | 191 Ų | 191 | 154.6 Ų | 154.6 | 83% | 0.83 | 84% | 0.836 | S | S | * | * | trans | -66 | 149.6 | -165.4 | -70.7 | 164 | 170.5 | 176.5 | 0 | 114.8 | ||||
| 445 | C | 23.1 | Very low | 29.2 | Very low | 124 Ų | 124 | 159.5 Ų | 159.5 | 84% | 0.838 | 84% | 0.839 | S | S | * | * | trans | -59.4 | 135.3 | 162.5 | -88 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 446 | H | 28.6 | Very low | 28.9 | Very low | 180 Ų | 180 | 159 Ų | 159 | 83% | 0.833 | 84% | 0.836 | S | S | * | * | trans | -133.4 | 126.8 | 151.7 | -84.5 | -68 | 0 | 0 | 0 | 109.7 | ||||
| 447 | L | 25.1 | Very low | 28.5 | Very low | 160 Ų | 160 | 163.4 Ų | 163.4 | 84% | 0.838 | 84% | 0.838 | S | S | * | * | trans | -69.2 | 134.3 | 167.8 | -87.3 | 99.9 | 0 | 0 | 0 | 110.3 | ||||
| 448 | R | 25.8 | Very low | 28.5 | Very low | 251 Ų | 251 | 167.2 Ų | 167.2 | 95% | 0.947 | 84% | 0.84 | S | S | * | * | trans | -141.5 | 125.9 | 150.7 | -81.5 | -166.2 | 172.4 | 179.4 | -2.6 | 111 | ||||
| 449 | L | 26.6 | Very low | 28.3 | Very low | 168 Ų | 168 | 167 Ų | 167 | 88% | 0.88 | 84% | 0.842 | S | S | * | * | trans | -68.9 | 138.7 | 164.4 | -104.1 | 85.9 | 0 | 0 | 0 | 110.3 | ||||
| 450 | A | 27.3 | Very low | 28.3 | Very low | 99 Ų | 99 | 165.3 Ų | 165.3 | 82% | 0.818 | 84% | 0.841 | S | S | * | * | trans | -156.8 | 128.9 | 150 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 451 | K | 28.8 | Very low | 28.3 | Very low | 204 Ų | 204 | 167 Ų | 167 | 89% | 0.887 | 84% | 0.843 | S | S | * | * | trans | -94.8 | -174.8 | 163.3 | -67.5 | -178.6 | 166.2 | 178.1 | 0 | 109.6 | ||||
| 452 | P | 33.9 | Very low | 28.4 | Very low | 118 Ų | 118 | 169.4 Ų | 169.4 | 77% | 0.766 | 84% | 0.843 | S | S | * | * | -105.7 | 158.6 | -95.5 | 31.3 | -12.4 | 0 | 0 | 0 | 111.3 | |||||
| 453 | R | 26.1 | Very low | 28.5 | Very low | 250 Ų | 250 | 170.1 Ų | 170.1 | 94% | 0.943 | 84% | 0.843 | S | S | * | * | trans | -130.9 | 127.4 | 163.5 | -83.7 | -171.7 | 177.8 | -175.4 | -1.4 | 110.4 | ||||
| 454 | D | 28.9 | Very low | 28.7 | Very low | 161 Ų | 161 | 169.7 Ų | 169.7 | 86% | 0.861 | 84% | 0.837 | S | S | * | * | trans | -47.7 | 132.3 | 158.2 | -99.6 | -41.5 | 0 | 0 | 0 | 110.2 | ||||
| 455 | E | 27.7 | Very low | 28.7 | Very low | 177 Ų | 177 | 170.7 Ų | 170.7 | 83% | 0.827 | 84% | 0.837 | S | S | * | * | trans | -162.1 | 125.1 | 139.3 | -112.3 | 167.4 | -156.9 | 0 | 0 | 110.8 | ||||
| 456 | S | 28.5 | Very low | 29.3 | Very low | 110 Ų | 110 | 171.9 Ų | 171.9 | 77% | 0.769 | 83% | 0.832 | S | S | * | * | trans | -65.1 | 126.1 | 178 | 46.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 457 | Y | 28.6 | Very low | 29.5 | Very low | 214 Ų | 214 | 167.7 Ų | 167.7 | 84% | 0.839 | 82% | 0.821 | S | S | * | * | trans | -123.5 | 104.6 | 159.4 | -94.8 | -88.4 | 0 | 0 | 0 | 110.6 | S459 | Y457-S459 PolarHBondContact O-N 2.8Š| ||
| 458 | R | 33.2 | Very low | 29.9 | Very low | 254 Ų | 254 | 165.6 Ų | 165.6 | 96% | 0.958 | 82% | 0.817 | S | S | * | * | trans | -63.3 | 121.1 | 156.7 | -87.8 | 178.6 | 169 | 172.3 | -2.8 | 107.8 | ||||
| 459 | S | 30.9 | Very low | 30.6 | Very low | 114 Ų | 114 | 161.1 Ų | 161.1 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -129.2 | 134.5 | 160.8 | 177.5 | 0 | 0 | 0 | 0 | 108.9 | Y457 | Y457-S459 PolarHBondContact O-N 2.8Š| ||
| 460 | A | 29.1 | Very low | 30.9 | Very low | 92 Ų | 92 | 160.7 Ų | 160.7 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | trans | -56.2 | 135.1 | -162.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | K462 | A460-K462 PolarHBondContact O-N 3.32Š| ||
| 461 | F | 29.3 | Very low | 31.3 | Very low | 204 Ų | 204 | 167.4 Ų | 167.4 | 90% | 0.895 | 81% | 0.813 | S | S | * | * | trans | -62.3 | 113.9 | 163.2 | -79.6 | -93 | 0 | 0 | 0 | 109.4 | ||||
| 462 | K | 30.3 | Very low | 31.5 | Very low | 166 Ų | 166 | 167.3 Ų | 167.3 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | trans | -87 | 102 | 156.8 | -88.9 | -175.7 | 177.4 | 178.3 | 0 | 108 | A460 Y464 | A460-K462 PolarHBondContact O-N 3.32Å; K462-Y464 HydrophobicContact CB-CD2 4.47Å; K462-Y464 HydrophobicContact CB-CE2 3.86Å; K462-Y464 WeakPolarHBondContact O-CD2 3.35Å; K462-Y464 PolarHBondContact O-N 3.48Å | ||
| 463 | T | 30.2 | Very low | 31.6 | Very low | 127 Ų | 127 | 173.4 Ų | 173.4 | 78% | 0.779 | 82% | 0.821 | S | S | * | * | trans | -66.3 | 115.5 | 168.5 | -36.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 464 | Y | 32.5 | Very low | 32 | Very low | 200 Ų | 200 | 167 Ų | 167 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | trans | -97.6 | 115.2 | 169.5 | -70.1 | -85.2 | 0 | 0 | 0 | 108.4 | K462 | K462-Y464 HydrophobicContact CB-CD2 4.47Å; K462-Y464 HydrophobicContact CB-CE2 3.86Å; K462-Y464 WeakPolarHBondContact O-CD2 3.35Å; K462-Y464 PolarHBondContact O-N 3.48Å | ||
| 465 | Y | 28.6 | Very low | 32.1 | Very low | 211 Ų | 211 | 162.3 Ų | 162.3 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | trans | -98.1 | 130 | 174.7 | -151.8 | -91.7 | 0 | 0 | 0 | 108.5 | ||||
| 466 | M | 35.3 | Very low | 32.4 | Very low | 149 Ų | 149 | 168.9 Ų | 168.9 | 73% | 0.734 | 82% | 0.823 | S | S | * | * | trans | -115.4 | 136.1 | 167.6 | -126.8 | -168.1 | 79.4 | 0 | 0 | 107.9 | ||||
| 467 | P | 33.3 | Very low | 32.6 | Very low | 93 Ų | 93 | 171.8 Ų | 171.8 | 60% | 0.604 | 83% | 0.826 | S | S | * | * | trans | -71.1 | 158.4 | -176.2 | 28 | -32.2 | 0 | 0 | 0 | 112.1 | ||||
| 468 | P | 33.5 | Very low | 32.8 | Very low | 116 Ų | 116 | 169.6 Ų | 169.6 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | trans | -65.3 | 137.2 | -177.5 | -11.1 | 25.5 | 0 | 0 | 0 | 111 | D470 | P468-D470 PolarHBondContact O-N 3.26Š| ||
| 469 | L | 40.1 | Very low | 32.7 | Very low | 157 Ų | 157 | 164.9 Ų | 164.9 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | trans | -75.7 | 110 | 169.9 | -70.9 | 166.1 | 0 | 0 | 0 | 109 | R471 | L469-R471 PolarHBondContact O-N 3.31Š| ||
| 470 | D | 33.1 | Very low | 32.9 | Very low | 158 Ų | 158 | 167.9 Ų | 167.9 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | trans | -59.9 | 121.1 | 171.6 | -87.7 | -36.4 | 0 | 0 | 0 | 110.9 | P468 K472 | P468-D470 PolarHBondContact O-N 3.26Å; D470-K472 PolarHBondContact O-N 3.25Å | ||
| 471 | R | 36.3 | Very low | 33.1 | Very low | 240 Ų | 240 | 172.6 Ų | 172.6 | 91% | 0.906 | 82% | 0.823 | S | S | * | * | trans | -67.6 | 98.9 | 166.6 | -83.6 | 178.9 | 168.2 | 173.2 | -3.1 | 108.5 | L469 R473 | L469-R471 PolarHBondContact O-N 3.31Å; R471-R473 PolarHBondContact O-N 3.36Å | ||
| 472 | K | 32.3 | Very low | 33.3 | Very low | 202 Ų | 202 | 170.5 Ų | 170.5 | 88% | 0.878 | 82% | 0.818 | S | S | * | * | trans | -64.7 | 105 | 157.9 | -85.4 | -172.9 | 175.9 | -179.4 | 0 | 108.7 | D470 S474 | D470-K472 PolarHBondContact O-N 3.25Å; K472-S474 PolarHBondContact O-N 3.46Å | ||
| 473 | R | 36.9 | Very low | 33.6 | Very low | 247 Ų | 247 | 170.9 Ų | 170.9 | 93% | 0.932 | 83% | 0.825 | S | S | * | * | trans | -58.6 | 121 | 156.3 | -74.5 | -179.5 | 174.9 | -172.8 | -1 | 107.5 | R471 | R471-R473 PolarHBondContact O-N 3.36Š| ||
| 474 | S | 32.6 | Very low | 33.8 | Very low | 115 Ų | 115 | 174.2 Ų | 174.2 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | trans | -113.6 | 101 | 158.4 | 48.8 | 0 | 0 | 0 | 0 | 107.2 | K472 | K472-S474 PolarHBondContact O-N 3.46Š| ||
| 475 | G | 31 | Very low | 33.9 | Very low | 63 Ų | 63 | 172.1 Ų | 172.1 | 65% | 0.649 | 83% | 0.832 | S | S | * | * | trans | -79.6 | 131 | 155.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 476 | Y | 34.3 | Very low | 34.4 | Very low | 314 Ų | 314 | 168.5 Ų | 168.5 | 100% | 1.231 | 83% | 0.833 | S | S | * | * | -172.1 | 0 | 94.2 | -95.3 | -78.3 | 0 | 0 | 0 | 107.6 |
Retrieved 476 of 476 residues in 1520.7 ms
(Link to these results)