| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.2 | Very low | 76.3 | Confident | 236 Ų | 236 | 100.7 Ų | 100.7 | 100% | 1.163 | 58% | 0.58 | S | S | * | * | 0 | 118.5 | 0 | -70.4 | 176.6 | -167.5 | 0 | 0 | 106.9 | T3 | M1-T3 PolarHBondContact O-N 2.96Å; M1-T3 VanDerWaalsContact O-N 3.11Å | |||
| 2 | A | 48.8 | Very low | 78 | Confident | 97 Ų | 97 | 93 Ų | 93 | 80% | 0.802 | 53% | 0.534 | S | S | * | . | trans | -65.4 | 110 | 164.2 | 0 | 0 | 0 | 0 | 0 | 105.8 | V4 | A2-V4 PolarHBondContact O-N 2.72Š| ||
| 3 | T | 51 | Low | 79.6 | Confident | 126 Ų | 126 | 89 Ų | 89 | 77% | 0.773 | 52% | 0.515 | S | S | * | . | trans | -59.3 | 105 | 168.3 | 35.8 | 0 | 0 | 0 | 0 | 106.4 | M1 L5 | M1-T3 PolarHBondContact O-N 2.96Å; M1-T3 VanDerWaalsContact O-N 3.11Å; T3-L5 PolarHBondContact O-N 2.78Å; T3-L5 VanDerWaalsContact O-N 3.08Å | ||
| 4 | V | 69.4 | Low | 80.8 | Confident | 132 Ų | 132 | 86.4 Ų | 86.4 | 80% | 0.8 | 50% | 0.498 | S | S | * | . | trans | -58.8 | 115.1 | 170.2 | -179.6 | 0 | 0 | 0 | 0 | 105.5 | A2 | A2-V4 PolarHBondContact O-N 2.72Š| ||
| 5 | L | 77.9 | Confident | 81.8 | Confident | 134 Ų | 134 | 85.9 Ų | 85.9 | 70% | 0.702 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 135.1 | 174.5 | -72.4 | 167.1 | 0 | 0 | 0 | 107.8 | T3 K7 | T3-L5 PolarHBondContact O-N 2.78Å; T3-L5 VanDerWaalsContact O-N 3.08Å; L5-K7 PolarHBondContact O-N 3.35Å |
| 6 | P | 83.6 | Confident | 82.6 | Confident | 63 Ų | 63 | 87.1 Ų | 87.1 | 41% | 0.409 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 138.5 | -178.3 | 26.2 | -33.7 | 0 | 0 | 0 | 110 | L11 | P6-L11 HydrophobicContact CB-CD1 3.91Å; P6-L11 HydrophobicContact CB-CD2 4.32Å; P6-L11 HydrophobicContact CB-CG 4.07Å; P6-L11 HydrophobicContact CG-CD1 3.8Å; P6-L11 HydrophobicContact CG-CG 4.48Å |
| 7 | K | 91.6 | Very high | 83.2 | Confident | 89 Ų | 89 | 87.2 Ų | 87.2 | 39% | 0.387 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -73.9 | 157.8 | 174 | -63 | -172 | 175 | -167.2 | 0 | 109.7 | L5 S9 D10 | L5-K7 PolarHBondContact O-N 3.35Å; K7-S9 PolarHBondContact O-N 3.12Å; K7-D10 WeakPolarHBondContact CB-OD2 3.41Å; K7-D10 PolarHBondContact N-OD2 2.79Å; K7-D10 WeakPolarHBondContact O-CB 3.29Å; K7-D10 PolarHBondContact O-N 2.78Å |
| 8 | F | 94.4 | Very high | 83.3 | Confident | 6 Ų | 6 | 86.6 Ų | 86.6 | 3% | 0.026 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -55.3 | -42.3 | 176.5 | 179.1 | -85.4 | 0 | 0 | 0 | 111.4 | D10 L11 Y12 L14 C29 A40 I78 Y85 V87 | F8-D10 PolarHBondContact O-N 3.07Å; F8-L11 PolarHBondContact O-N 2.97Å; F8-L11 VanDerWaalsContact O-N 3.11Å; F8-Y12 HydrophobicContact CD2-CD2 4.21Å; F8-Y12 HydrophobicContact CE2-CD2 4.01Å; F8-Y12 HydrophobicContact CE2-CG 4.1Å; F8-Y12 VanDerWaalsContact CZ-CB 3.43Å; F8-Y12 HydrophobicContact CZ-CD2 4.42Å; F8-Y12 HydrophobicContact CZ-CG 4.09Å; F8-Y12 PolarHBondContact O-N 2.68Å; F8-L14 HydrophobicContact CD1-CD2 4.5Å; F8-L14 HydrophobicContact CD1-CG 4.42Å; F8-L14 HydrophobicContact CE1-CD1 4.39Å; F8-L14 HydrophobicContact CE1-CD2 3.43Å; F8-L14 VanDerWaalsContact CE1-CD2 3.43Å; F8-L14 HydrophobicContact CE1-CG 3.59Å; F8-L14 HydrophobicContact CZ-CD2 3.51Å; F8-L14 HydrophobicContact CZ-CG 4.2Å; F8-C29 HydrophobicContact CZ-CB 4.01Å; F8-A40 HydrophobicContact CE2-CB 3.98Å; F8-A40 HydrophobicContact CZ-CB 3.91Å; F8-I78 HydrophobicContact CB-CG2 4.23Å; F8-I78 HydrophobicContact CD2-CD1 4.05Å; F8-Y85 HydrophobicContact CB-CD1 4.23Å; F8-Y85 HydrophobicContact CB-CD2 3.82Å; F8-Y85 HydrophobicContact CB-CE1 4.3Å; F8-Y85 HydrophobicContact CB-CE2 3.9Å; F8-Y85 HydrophobicContact CB-CG 4.01Å; F8-Y85 HydrophobicContact CD1-CD1 4.11Å; F8-Y85 HydrophobicContact CD1-CE1 4.02Å; F8-Y85 VanDerWaalsContact CD2-CB 3.49Å; F8-Y85 AromaticContact CD2-CD1 3.38Å; F8-Y85 HydrophobicContact CD2-CD1 3.38Å; F8-Y85 HydrophobicContact CD2-CD2 4.1Å; F8-Y85 HydrophobicContact CD2-CE1 4.1Å; F8-Y85 AromaticContact CD2-CG 3.39Å; F8-Y85 HydrophobicContact CD2-CG 3.39Å; F8-Y85 HydrophobicContact CE1-CD1 4.38Å; F8-Y85 HydrophobicContact CE1-CE1 4.43Å; F8-Y85 AromaticContact CE2-CD1 3.66Å; F8-Y85 HydrophobicContact CE2-CD1 3.66Å; F8-Y85 HydrophobicContact CE2-CE1 4.47Å; F8-Y85 HydrophobicContact CE2-CG 4.02Å; F8-Y85 AromaticContact CG-CD1 3.61Å; F8-Y85 HydrophobicContact CG-CD1 3.61Å; F8-Y85 HydrophobicContact CG-CD2 4.1Å; F8-Y85 AromaticContact CG-CE1 3.84Å; F8-Y85 HydrophobicContact CG-CE1 3.84Å; F8-Y85 HydrophobicContact CG-CE2 4.31Å; F8-Y85 AromaticContact CG-CG 3.76Å; F8-Y85 HydrophobicContact CG-CG 3.76Å; F8-Y85 HydrophobicContact CZ-CD1 4.16Å; F8-V87 HydrophobicContact CE2-CG2 3.98Å |
| 9 | S | 94.1 | Very high | 83.3 | Confident | 73 Ų | 73 | 83.5 Ų | 83.5 | 51% | 0.51 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.4 | -23.7 | 179.3 | 54.7 | 0 | 0 | 0 | 0 | 114.5 | K7 L11 | K7-S9 PolarHBondContact O-N 3.12Å; S9-L11 VanDerWaalsContact C-N 3.27Å |
| 10 | D | 94.7 | Very high | 83.1 | Confident | 97 Ų | 97 | 87.9 Ų | 87.9 | 52% | 0.519 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -79 | -18.3 | -179.9 | -54.6 | -25.6 | 0 | 0 | 0 | 111.4 | K7 F8 | K7-D10 WeakPolarHBondContact CB-OD2 3.41Å; K7-D10 PolarHBondContact N-OD2 2.79Å; K7-D10 WeakPolarHBondContact O-CB 3.29Å; K7-D10 PolarHBondContact O-N 2.78Å; F8-D10 PolarHBondContact O-N 3.07Å |
| 11 | L | 96.2 | Very high | 82.5 | Confident | 55 Ų | 55 | 85.1 Ų | 85.1 | 29% | 0.288 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -115.8 | -32.2 | -173.5 | -60.8 | 179.3 | 0 | 0 | 0 | 113.1 | P6 F8 S9 L32 I78 | P6-L11 HydrophobicContact CB-CD1 3.91Å; P6-L11 HydrophobicContact CB-CD2 4.32Å; P6-L11 HydrophobicContact CB-CG 4.07Å; P6-L11 HydrophobicContact CG-CD1 3.8Å; P6-L11 HydrophobicContact CG-CG 4.48Å; F8-L11 PolarHBondContact O-N 2.97Å; F8-L11 VanDerWaalsContact O-N 3.11Å; S9-L11 VanDerWaalsContact C-N 3.27Å; L11-L32 WeakPolarHBondContact O-CG 3.45Å; L11-L32 PolarHBondContact O-N 3.29Å; L11-I78 HydrophobicContact CD1-CD1 3.87Å |
| 12 | Y | 97.8 | Very high | 84.1 | Confident | 8 Ų | 8 | 76 Ų | 76 | 3% | 0.031 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 145.9 | -173.1 | -59.4 | -92.4 | 0 | 0 | 0 | 112.9 | F8 I30 Q31 F38 D76 I78 V87 | F8-Y12 HydrophobicContact CD2-CD2 4.21Å; F8-Y12 HydrophobicContact CE2-CD2 4.01Å; F8-Y12 HydrophobicContact CE2-CG 4.1Å; F8-Y12 VanDerWaalsContact CZ-CB 3.43Å; F8-Y12 HydrophobicContact CZ-CD2 4.42Å; F8-Y12 HydrophobicContact CZ-CG 4.09Å; F8-Y12 PolarHBondContact O-N 2.68Å; Y12-I30 CarbonylContact C-O 3.56Å; Y12-I30 VanDerWaalsContact CA-O 3.26Å; Y12-I30 WeakPolarHBondContact CA-O 3.46Å; Y12-Q31 HydrophobicContact CD1-CB 3.81Å; Y12-Q31 HydrophobicContact CD1-CG 4.24Å; Y12-Q31 HydrophobicContact CE1-CB 3.6Å; Y12-Q31 HydrophobicContact CE1-CG 3.78Å; Y12-F38 HydrophobicContact CE1-CD2 4.05Å; Y12-F38 HydrophobicContact CE1-CE2 4.4Å; Y12-D76 HydrophobicContact CE2-CB 4.36Å; Y12-D76 WeakPolarHBondContact CE2-OD2 3.4Å; Y12-D76 PolarHBondContact OH-OD2 2.87Å; Y12-I78 HydrophobicContact CD2-CD1 3.97Å; Y12-I78 HydrophobicContact CE2-CD1 3.73Å; Y12-V87 HydrophobicContact CD2-CG2 4.5Å; Y12-V87 HydrophobicContact CE1-CG1 3.9Å; Y12-V87 HydrophobicContact CE2-CG2 4.21Å |
| 13 | S | 97.6 | Very high | 85.4 | Confident | 41 Ų | 41 | 76.1 Ų | 76.1 | 29% | 0.287 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 118.8 | 170.4 | -177 | 0 | 0 | 0 | 0 | 110.5 | K15 C29 I30 | S13-K15 PolarHBondContact OG-NZ 2.93Å; S13-K15 VanDerWaalsContact OG-NZ 3.15Å; S13-C29 CarbonylContact O-C 3.58Å; S13-C29 WeakPolarHBondContact O-CA 3.45Å; S13-I30 PolarHBondContact N-O 3.42Å; S13-I30 PolarHBondContact O-N 2.68Å |
| 14 | L | 97.1 | Very high | 87 | Confident | 53 Ų | 53 | 71.3 Ų | 71.3 | 28% | 0.277 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 142.1 | 173.7 | -67.5 | 179.1 | 0 | 0 | 0 | 111.8 | F8 R27 C29 A40 I42 | F8-L14 HydrophobicContact CD1-CD2 4.5Å; F8-L14 HydrophobicContact CD1-CG 4.42Å; F8-L14 HydrophobicContact CE1-CD1 4.39Å; F8-L14 HydrophobicContact CE1-CD2 3.43Å; F8-L14 VanDerWaalsContact CE1-CD2 3.43Å; F8-L14 HydrophobicContact CE1-CG 3.59Å; F8-L14 HydrophobicContact CZ-CD2 3.51Å; F8-L14 HydrophobicContact CZ-CG 4.2Å; L14-R27 HydrophobicContact CD2-CB 4.29Å; L14-C29 HydrophobicContact CD2-CB 4.15Å; L14-A40 HydrophobicContact CD2-CB 4.15Å; L14-I42 HydrophobicContact CD1-CD1 3.84Å; L14-I42 HydrophobicContact CD2-CD1 3.9Å |
| 15 | K | 96.4 | Very high | 88 | Confident | 78 Ų | 78 | 66.9 Ų | 66.9 | 34% | 0.339 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | -145.7 | 178.4 | -54.5 | -61.9 | -180 | -163.4 | 0 | 110.4 | S13 R27 K28 I30 | S13-K15 PolarHBondContact OG-NZ 2.93Å; S13-K15 VanDerWaalsContact OG-NZ 3.15Å; K15-R27 PolarHBondContact O-NE 2.81Å; K15-R27 PolarHBondContact O-NH2 3.29Å; K15-K28 HydrophobicContact CB-CB 4.12Å; K15-K28 HydrophobicContact CB-CD 4.39Å; K15-K28 HydrophobicContact CB-CG 4.22Å; K15-K28 PolarHBondContact N-O 3.42Å; K15-I30 HydrophobicContact CD-CD1 4.37Å; K15-I30 VanDerWaalsContact CE-CD1 3.43Å; K15-I30 HydrophobicContact CG-CD1 4.2Å; K15-I30 HydrophobicContact CG-CG1 4.07Å |
| 16 | E | 94.1 | Very high | 88.7 | Confident | 106 Ų | 106 | 62.5 Ų | 62.5 | 50% | 0.495 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 156.3 | -176.9 | 65.3 | -86.3 | -161.6 | 0 | 0 | 114.2 | R27 K28 | E16-R27 CarbonylContact O-C 3.57Å; E16-R27 VanDerWaalsContact O-CA 3.27Å; E16-R27 WeakPolarHBondContact O-CA 3.41Å; E16-R27 WeakPolarHBondContact O-CB 3.47Å; E16-K28 HydrophobicContact CG-CB 4.32Å; E16-K28 PolarHBondContact O-N 3.26Å; E16-K28 WeakPolarHBondContact OE1-CD 3.48Å; E16-K28 IonicContact OE1-NZ 3.86Å |
| 17 | E | 92.2 | Very high | 89.3 | Confident | 88 Ų | 88 | 63.5 Ų | 63.5 | 41% | 0.411 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 132.2 | 168.7 | -177.4 | 171.1 | 161 | 0 | 0 | 109.5 | R20 I25 | E17-R20 WeakPolarHBondContact OE1-CB 3.36Å; E17-R20 IonicContact OE1-CZ 3.24Å; E17-R20 IonicContact OE1-NE 3.77Å; E17-R20 PolarHBondContact OE1-NE 2.89Å; E17-R20 IonicContact OE1-NH2 2.78Å; E17-R20 PolarHBondContact OE1-NH2 3.08Å; E17-R20 VanDerWaalsContact OE1-NH2 3.12Å; E17-R20 IonicContact OE2-CZ 2.69Å; E17-R20 IonicContact OE2-NE 3.28Å; E17-R20 IonicContact OE2-NH2 3.69Å; E17-R20 PolarHBondContact OE2-NH2 2.83Å; E17-I25 HydrophobicContact CB-CD1 4.32Å; E17-I25 HydrophobicContact CG-CD1 3.74Å; E17-I25 HydrophobicContact CG-CG1 3.81Å; E17-I25 WeakPolarHBondContact OE2-CD1 3.48Å |
| 18 | V | 85.5 | Confident | 89.6 | Confident | 77 Ų | 77 | 60.7 Ų | 60.7 | 47% | 0.467 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | -25.6 | -179.5 | -178.7 | 0 | 0 | 0 | 0 | 110.7 | V26 K28 | V18-V26 HydrophobicContact CB-CG1 4.5Å; V18-V26 PolarHBondContact N-O 3.44Å; V18-K28 HydrophobicContact CG2-CB 3.95Å |
| 19 | G | 82.4 | Confident | 89.8 | Confident | 28 Ų | 28 | 60.4 Ų | 60.4 | 29% | 0.289 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.7 | 166.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V26 | G19-V26 PolarHBondContact N-O 3.26Å; G19-V26 VanDerWaalsContact N-O 3.13Å; G19-V26 PolarHBondContact O-N 3.25Å |
| 20 | R | 80.2 | Confident | 90 | Very high | 170 Ų | 170 | 58.9 Ų | 58.9 | 64% | 0.642 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 132.9 | -178.4 | -175 | 174.6 | -67.6 | -121.4 | 0.9 | 110.7 | E17 | E17-R20 WeakPolarHBondContact OE1-CB 3.36Å; E17-R20 IonicContact OE1-CZ 3.24Å; E17-R20 IonicContact OE1-NE 3.77Å; E17-R20 PolarHBondContact OE1-NE 2.89Å; E17-R20 IonicContact OE1-NH2 2.78Å; E17-R20 PolarHBondContact OE1-NH2 3.08Å; E17-R20 VanDerWaalsContact OE1-NH2 3.12Å; E17-R20 IonicContact OE2-CZ 2.69Å; E17-R20 IonicContact OE2-NE 3.28Å; E17-R20 IonicContact OE2-NH2 3.69Å; E17-R20 PolarHBondContact OE2-NH2 2.83Å |
| 21 | G | 71.1 | Confident | 90.1 | Very high | 31 Ų | 31 | 56.3 Ų | 56.3 | 32% | 0.32 | 29% | 0.292 | S | S | . | . | trans | -112.3 | -177.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F23 S24 | G21-F23 VanDerWaalsContact C-N 3.31Å; G21-F23 PolarHBondContact O-N 2.95Å; G21-S24 PolarHBondContact N-O 3.17Å | ||
| 22 | A | 70.8 | Confident | 90.2 | Very high | 43 Ų | 43 | 58.4 Ų | 58.4 | 36% | 0.355 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -61.8 | -34.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L307 | A22-L307 HydrophobicContact CB-CB 4.33Š|
| 23 | F | 74.9 | Confident | 90.1 | Very high | 101 Ų | 101 | 62.8 Ų | 62.8 | 44% | 0.443 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -126.2 | 2.8 | -175.4 | -56.4 | -78.6 | 0 | 0 | 0 | 114 | G21 N311 | G21-F23 VanDerWaalsContact C-N 3.31Å; G21-F23 PolarHBondContact O-N 2.95Å; F23-N311 WeakPolarHBondContact CE1-ND2 3.36Å; F23-N311 WeakPolarHBondContact CZ-ND2 3.09Å |
| 24 | S | 84.9 | Confident | 90.1 | Very high | 25 Ų | 25 | 64.5 Ų | 64.5 | 18% | 0.175 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 154.3 | -174.9 | 65 | 0 | 0 | 0 | 0 | 111.3 | G21 I42 | G21-S24 PolarHBondContact N-O 3.17Å; S24-I42 VanDerWaalsContact CA-O 3.23Å; S24-I42 WeakPolarHBondContact CA-O 3.32Å; S24-I42 WeakPolarHBondContact CB-O 3.32Å |
| 25 | I | 90.5 | Very high | 90.1 | Very high | 39 Ų | 39 | 64.2 Ų | 64.2 | 20% | 0.2 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 136.6 | 171 | -178.5 | 177 | 0 | 0 | 0 | 107.5 | E17 R27 I42 | E17-I25 HydrophobicContact CB-CD1 4.32Å; E17-I25 HydrophobicContact CG-CD1 3.74Å; E17-I25 HydrophobicContact CG-CG1 3.81Å; E17-I25 WeakPolarHBondContact OE2-CD1 3.48Å; I25-R27 HydrophobicContact CD1-CG 4.01Å; I25-R27 HydrophobicContact CG1-CG 4.05Å; I25-I42 HydrophobicContact CG2-CB 3.81Å; I25-I42 HydrophobicContact CG2-CD1 4.19Å; I25-I42 HydrophobicContact CG2-CG1 4.35Å; I25-I42 PolarHBondContact N-O 3.25Å; I25-I42 PolarHBondContact O-N 2.92Å |
| 26 | V | 92.3 | Very high | 90.2 | Very high | 41 Ų | 41 | 65.4 Ų | 65.4 | 25% | 0.248 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 121 | 174.1 | -174.6 | 0 | 0 | 0 | 0 | 107.5 | V18 G19 A39 A40 K41 | V18-V26 HydrophobicContact CB-CG1 4.5Å; V18-V26 PolarHBondContact N-O 3.44Å; G19-V26 PolarHBondContact N-O 3.26Å; G19-V26 VanDerWaalsContact N-O 3.13Å; G19-V26 PolarHBondContact O-N 3.25Å; V26-A39 HydrophobicContact CG1-CB 4.04Å; V26-A40 WeakPolarHBondContact CA-O 3.48Å; V26-K41 HydrophobicContact CG2-CB 4.31Å; V26-K41 HydrophobicContact CG2-CG 4.25Å |
| 27 | R | 96.8 | Very high | 90.3 | Very high | 84 Ų | 84 | 64.9 Ų | 64.9 | 32% | 0.317 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 147.6 | 176.2 | -64.2 | -174.5 | 69.5 | 167 | 2.9 | 109.9 | L14 K15 E16 I25 A39 A40 I42 | L14-R27 HydrophobicContact CD2-CB 4.29Å; K15-R27 PolarHBondContact O-NE 2.81Å; K15-R27 PolarHBondContact O-NH2 3.29Å; E16-R27 CarbonylContact O-C 3.57Å; E16-R27 VanDerWaalsContact O-CA 3.27Å; E16-R27 WeakPolarHBondContact O-CA 3.41Å; E16-R27 WeakPolarHBondContact O-CB 3.47Å; I25-R27 HydrophobicContact CD1-CG 4.01Å; I25-R27 HydrophobicContact CG1-CG 4.05Å; R27-A39 CarbonylContact O-C 3.32Å; R27-A40 PolarHBondContact N-O 3.36Å; R27-A40 PolarHBondContact O-N 3.13Å; R27-I42 HydrophobicContact CB-CD1 4.38Å; R27-I42 HydrophobicContact CG-CD1 4.14Å |
| 28 | K | 97.7 | Very high | 90.6 | Very high | 30 Ų | 30 | 61.3 Ų | 61.3 | 13% | 0.13 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 142 | 164.9 | -179.8 | 179.9 | -179.1 | 175.7 | 0 | 108.9 | K15 E16 V18 E37 F38 L90 | K15-K28 HydrophobicContact CB-CB 4.12Å; K15-K28 HydrophobicContact CB-CD 4.39Å; K15-K28 HydrophobicContact CB-CG 4.22Å; K15-K28 PolarHBondContact N-O 3.42Å; E16-K28 HydrophobicContact CG-CB 4.32Å; E16-K28 PolarHBondContact O-N 3.26Å; E16-K28 WeakPolarHBondContact OE1-CD 3.48Å; E16-K28 IonicContact OE1-NZ 3.86Å; V18-K28 HydrophobicContact CG2-CB 3.95Å; K28-E37 WeakPolarHBondContact CE-OE1 2.9Å; K28-E37 WeakPolarHBondContact CE-OE2 3.2Å; K28-E37 IonicContact NZ-OE1 2.71Å; K28-E37 PolarHBondContact NZ-OE1 3.19Å; K28-E37 IonicContact NZ-OE2 2.97Å; K28-E37 PolarHBondContact NZ-OE2 3.44Å; K28-F38 CarbonylContact C-O 3.52Å; K28-F38 WeakPolarHBondContact CA-O 3.48Å; K28-L90 HydrophobicContact CD-CD2 4.15Å; K28-L90 HydrophobicContact CG-CD2 4.08Å |
| 29 | C | 98 | Very high | 91.2 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 158.1 | 170.8 | 66.2 | 0 | 0 | 0 | 0 | 111.5 | F8 S13 L14 E37 F38 A40 | F8-C29 HydrophobicContact CZ-CB 4.01Å; S13-C29 CarbonylContact O-C 3.58Å; S13-C29 WeakPolarHBondContact O-CA 3.45Å; L14-C29 HydrophobicContact CD2-CB 4.15Å; C29-E37 WeakPolarHBondContact O-CA 3.23Å; C29-F38 PolarHBondContact N-O 3.16Å; C29-F38 PolarHBondContact O-N 3.12Å; C29-A40 HydrophobicContact CB-CB 4.24Å |
| 30 | I | 98.2 | Very high | 91.9 | Very high | 41 Ų | 41 | 56.8 Ų | 56.8 | 21% | 0.21 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 126.9 | 178 | -56.4 | -176.2 | 0 | 0 | 0 | 108.1 | Y12 S13 K15 L32 L36 E37 | Y12-I30 CarbonylContact C-O 3.56Å; Y12-I30 VanDerWaalsContact CA-O 3.26Å; Y12-I30 WeakPolarHBondContact CA-O 3.46Å; S13-I30 PolarHBondContact N-O 3.42Å; S13-I30 PolarHBondContact O-N 2.68Å; K15-I30 HydrophobicContact CD-CD1 4.37Å; K15-I30 VanDerWaalsContact CE-CD1 3.43Å; K15-I30 HydrophobicContact CG-CD1 4.2Å; K15-I30 HydrophobicContact CG-CG1 4.07Å; I30-L32 PolarHBondContact O-N 3.14Å; I30-L36 WeakPolarHBondContact CA-O 3.09Å; I30-E37 HydrophobicContact CG1-CG 4.43Å |
| 31 | Q | 98.2 | Very high | 92.6 | Very high | 43 Ų | 43 | 50.3 Ų | 50.3 | 20% | 0.201 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 124.6 | 173.8 | -172 | 179 | 41.5 | 0 | 0 | 109.8 | Y12 S33 T34 G35 L36 F38 | Y12-Q31 HydrophobicContact CD1-CB 3.81Å; Y12-Q31 HydrophobicContact CD1-CG 4.24Å; Y12-Q31 HydrophobicContact CE1-CB 3.6Å; Y12-Q31 HydrophobicContact CE1-CG 3.78Å; Q31-S33 VanDerWaalsContact C-N 3.33Å; Q31-S33 PolarHBondContact O-N 2.99Å; Q31-T34 PolarHBondContact O-N 3.05Å; Q31-T34 VanDerWaalsContact OE1-CG2 3.3Å; Q31-T34 PolarHBondContact OE1-OG1 2.88Å; Q31-G35 WeakPolarHBondContact O-CA 3.43Å; Q31-G35 PolarHBondContact O-N 2.84Å; Q31-L36 PolarHBondContact N-O 3.18Å; Q31-F38 HydrophobicContact CB-CD2 4.18Å; Q31-F38 HydrophobicContact CB-CE2 3.75Å |
| 32 | L | 97.5 | Very high | 93.7 | Very high | 99 Ų | 99 | 49.4 Ų | 49.4 | 52% | 0.518 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -34 | -171.4 | -64.3 | 179 | 0 | 0 | 0 | 113.2 | L11 I30 | L11-L32 WeakPolarHBondContact O-CG 3.45Å; L11-L32 PolarHBondContact O-N 3.29Å; I30-L32 PolarHBondContact O-N 3.14Å |
| 33 | S | 96.7 | Very high | 94.7 | Very high | 101 Ų | 101 | 47.9 Ų | 47.9 | 71% | 0.706 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -32.1 | -176.6 | 54.2 | 0 | 0 | 0 | 0 | 114 | Q31 | Q31-S33 VanDerWaalsContact C-N 3.33Å; Q31-S33 PolarHBondContact O-N 2.99Å |
| 34 | T | 97.4 | Very high | 95.3 | Very high | 77 Ų | 77 | 45.6 Ų | 45.6 | 47% | 0.472 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | -19.6 | -172.6 | 63.4 | 0 | 0 | 0 | 0 | 113.5 | Q31 L36 | Q31-T34 PolarHBondContact O-N 3.05Å; Q31-T34 VanDerWaalsContact OE1-CG2 3.3Å; Q31-T34 PolarHBondContact OE1-OG1 2.88Å; T34-L36 PolarHBondContact O-N 3.17Å; T34-L36 WeakPolarHBondContact OG1-CB 3.43Å; T34-L36 WeakPolarHBondContact OG1-CG 3.27Å; T34-L36 PolarHBondContact OG1-N 3.46Å |
| 35 | G | 96.6 | Very high | 95.5 | Very high | 47 Ų | 47 | 45.8 Ų | 45.8 | 49% | 0.485 | 25% | 0.254 | S | S | . | . | trans | 73.2 | 4.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q31 | Q31-G35 WeakPolarHBondContact O-CA 3.43Å; Q31-G35 PolarHBondContact O-N 2.84Å | ||
| 36 | L | 97.7 | Very high | 95.2 | Very high | 102 Ų | 102 | 51.5 Ų | 51.5 | 53% | 0.534 | 28% | 0.277 | S | S | . | . | trans | -72.7 | 146.1 | 179.9 | -65.9 | 175.7 | 0 | 0 | 0 | 111.8 | I30 Q31 T34 F38 | I30-L36 WeakPolarHBondContact CA-O 3.09Å; Q31-L36 PolarHBondContact N-O 3.18Å; T34-L36 PolarHBondContact O-N 3.17Å; T34-L36 WeakPolarHBondContact OG1-CB 3.43Å; T34-L36 WeakPolarHBondContact OG1-CG 3.27Å; T34-L36 PolarHBondContact OG1-N 3.46Å; L36-F38 HydrophobicContact CB-CE2 3.56Å; L36-F38 HydrophobicContact CB-CZ 3.83Å; L36-F38 HydrophobicContact CD1-CZ 4.4Å; L36-F38 WeakPolarHBondContact O-CD2 3.39Å; L36-F38 WeakPolarHBondContact O-CE2 3.18Å | ||
| 37 | E | 97.7 | Very high | 94.5 | Very high | 95 Ų | 95 | 58.6 Ų | 58.6 | 44% | 0.444 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 139.8 | -177.6 | -52.7 | -169 | 145.2 | 0 | 0 | 112 | K28 C29 I30 L90 | K28-E37 WeakPolarHBondContact CE-OE1 2.9Å; K28-E37 WeakPolarHBondContact CE-OE2 3.2Å; K28-E37 IonicContact NZ-OE1 2.71Å; K28-E37 PolarHBondContact NZ-OE1 3.19Å; K28-E37 IonicContact NZ-OE2 2.97Å; K28-E37 PolarHBondContact NZ-OE2 3.44Å; C29-E37 WeakPolarHBondContact O-CA 3.23Å; I30-E37 HydrophobicContact CG1-CG 4.43Å; E37-L90 HydrophobicContact CB-CD2 3.88Å |
| 38 | F | 98 | Very high | 93.8 | Very high | 14 Ų | 14 | 56.1 Ų | 56.1 | 6% | 0.061 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 172.4 | -177.1 | -60.7 | -83.1 | 0 | 0 | 0 | 111.1 | Y12 K28 C29 Q31 L36 Y75 V87 F88 | Y12-F38 HydrophobicContact CE1-CD2 4.05Å; Y12-F38 HydrophobicContact CE1-CE2 4.4Å; K28-F38 CarbonylContact C-O 3.52Å; K28-F38 WeakPolarHBondContact CA-O 3.48Å; C29-F38 PolarHBondContact N-O 3.16Å; C29-F38 PolarHBondContact O-N 3.12Å; Q31-F38 HydrophobicContact CB-CD2 4.18Å; Q31-F38 HydrophobicContact CB-CE2 3.75Å; L36-F38 HydrophobicContact CB-CE2 3.56Å; L36-F38 HydrophobicContact CB-CZ 3.83Å; L36-F38 HydrophobicContact CD1-CZ 4.4Å; L36-F38 WeakPolarHBondContact O-CD2 3.39Å; L36-F38 WeakPolarHBondContact O-CE2 3.18Å; F38-Y75 AromaticContact CD1-CD2 3.87Å; F38-Y75 HydrophobicContact CD1-CD2 3.87Å; F38-Y75 HydrophobicContact CD1-CE2 4.13Å; F38-Y75 HydrophobicContact CD1-CG 4.2Å; F38-Y75 AromaticContact CE1-CD1 3.92Å; F38-Y75 HydrophobicContact CE1-CD1 3.92Å; F38-Y75 AromaticContact CE1-CD2 3.8Å; F38-Y75 HydrophobicContact CE1-CD2 3.8Å; F38-Y75 HydrophobicContact CE1-CE1 4.06Å; F38-Y75 AromaticContact CE1-CE2 3.94Å; F38-Y75 HydrophobicContact CE1-CE2 3.94Å; F38-Y75 AromaticContact CE1-CG 3.8Å; F38-Y75 HydrophobicContact CE1-CG 3.8Å; F38-V87 HydrophobicContact CB-CG1 3.54Å; F38-V87 HydrophobicContact CD1-CG1 4.23Å; F38-V87 HydrophobicContact CD2-CG1 4.48Å; F38-V87 HydrophobicContact CG-CG1 3.85Å; F38-F88 WeakPolarHBondContact CB-O 3.46Å |
| 39 | A | 97.3 | Very high | 93.1 | Very high | 9 Ų | 9 | 57.3 Ų | 57.3 | 7% | 0.074 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 118 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | V26 R27 F88 L90 | V26-A39 HydrophobicContact CG1-CB 4.04Å; R27-A39 CarbonylContact O-C 3.32Å; A39-F88 PolarHBondContact N-O 2.64Å; A39-F88 PolarHBondContact O-N 3.22Å; A39-L90 HydrophobicContact CB-CD1 4.06Å |
| 40 | A | 97.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 112.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110 | F8 L14 V26 R27 C29 I42 L86 | F8-A40 HydrophobicContact CE2-CB 3.98Å; F8-A40 HydrophobicContact CZ-CB 3.91Å; L14-A40 HydrophobicContact CD2-CB 4.15Å; V26-A40 WeakPolarHBondContact CA-O 3.48Å; R27-A40 PolarHBondContact N-O 3.36Å; R27-A40 PolarHBondContact O-N 3.13Å; C29-A40 HydrophobicContact CB-CB 4.24Å; A40-I42 HydrophobicContact CB-CG1 4.35Å; A40-L86 WeakPolarHBondContact CA-O 3.44Å |
| 41 | K | 94.7 | Very high | 91.8 | Very high | 34 Ų | 34 | 63.2 Ų | 63.2 | 15% | 0.148 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 114.1 | 164.3 | -174 | 178.8 | 179.1 | -179.5 | 0 | 107.4 | V26 I43 E59 Y85 L86 F88 | V26-K41 HydrophobicContact CG2-CB 4.31Å; V26-K41 HydrophobicContact CG2-CG 4.25Å; K41-I43 HydrophobicContact CB-CD1 4.48Å; K41-I43 HydrophobicContact CD-CD1 4.41Å; K41-I43 HydrophobicContact CG-CD1 3.93Å; K41-I43 HydrophobicContact CG-CG1 4.43Å; K41-I43 WeakPolarHBondContact O-CD1 3.48Å; K41-E59 IonicContact NZ-OE1 3.47Å; K41-E59 PolarHBondContact NZ-OE1 2.78Å; K41-E59 IonicContact NZ-OE2 2.62Å; K41-Y85 WeakPolarHBondContact O-CA 3.33Å; K41-L86 HydrophobicContact CB-CB 4.36Å; K41-L86 PolarHBondContact N-O 3.21Å; K41-L86 PolarHBondContact O-N 3.31Å; K41-F88 HydrophobicContact CB-CD2 4.24Å; K41-F88 HydrophobicContact CB-CE2 4.04Å; K41-F88 HydrophobicContact CD-CE2 4.21Å |
| 42 | I | 94.1 | Very high | 91.2 | Very high | 13 Ų | 13 | 63.4 Ų | 63.4 | 7% | 0.067 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 114 | -175.6 | -46.6 | 175.2 | 0 | 0 | 0 | 108 | L14 S24 I25 R27 A40 F83 Y85 | L14-I42 HydrophobicContact CD1-CD1 3.84Å; L14-I42 HydrophobicContact CD2-CD1 3.9Å; S24-I42 VanDerWaalsContact CA-O 3.23Å; S24-I42 WeakPolarHBondContact CA-O 3.32Å; S24-I42 WeakPolarHBondContact CB-O 3.32Å; I25-I42 HydrophobicContact CG2-CB 3.81Å; I25-I42 HydrophobicContact CG2-CD1 4.19Å; I25-I42 HydrophobicContact CG2-CG1 4.35Å; I25-I42 PolarHBondContact N-O 3.25Å; I25-I42 PolarHBondContact O-N 2.92Å; R27-I42 HydrophobicContact CB-CD1 4.38Å; R27-I42 HydrophobicContact CG-CD1 4.14Å; A40-I42 HydrophobicContact CB-CG1 4.35Å; I42-F83 HydrophobicContact CG2-CB 4.45Å; I42-F83 HydrophobicContact CG2-CD1 3.81Å; I42-F83 HydrophobicContact CG2-CG 4.42Å; I42-Y85 HydrophobicContact CB-CD1 4.31Å; I42-Y85 HydrophobicContact CB-CE1 4.26Å; I42-Y85 HydrophobicContact CD1-CD1 4.35Å; I42-Y85 HydrophobicContact CD1-CE1 3.98Å; I42-Y85 HydrophobicContact CG1-CD1 3.78Å; I42-Y85 HydrophobicContact CG1-CE1 3.83Å; I42-Y85 HydrophobicContact CG2-CD1 4.02Å; I42-Y85 HydrophobicContact CG2-CE1 3.6Å |
| 43 | I | 91.7 | Very high | 90.7 | Very high | 10 Ų | 10 | 61.1 Ų | 61.1 | 5% | 0.051 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 128.8 | -179.3 | -53.4 | 90 | 0 | 0 | 0 | 108.8 | K41 T45 L48 L56 F83 H84 L86 | K41-I43 HydrophobicContact CB-CD1 4.48Å; K41-I43 HydrophobicContact CD-CD1 4.41Å; K41-I43 HydrophobicContact CG-CD1 3.93Å; K41-I43 HydrophobicContact CG-CG1 4.43Å; K41-I43 WeakPolarHBondContact O-CD1 3.48Å; I43-T45 PolarHBondContact O-N 3.21Å; I43-L48 HydrophobicContact CG2-CD1 3.91Å; I43-L48 HydrophobicContact CG2-CD2 4.44Å; I43-L56 HydrophobicContact CB-CD2 4.27Å; I43-L56 HydrophobicContact CD1-CD1 3.89Å; I43-L56 HydrophobicContact CG1-CD1 4.06Å; I43-L56 HydrophobicContact CG2-CD2 4.06Å; I43-F83 CarbonylContact O-C 3.56Å; I43-F83 VanDerWaalsContact O-CA 3.28Å; I43-F83 WeakPolarHBondContact O-CA 3.45Å; I43-H84 HydrophobicContact CB-CB 4.39Å; I43-H84 VanDerWaalsContact CD1-O 3.29Å; I43-H84 WeakPolarHBondContact CD1-O 3.43Å; I43-H84 PolarHBondContact N-O 3.31Å; I43-H84 PolarHBondContact O-N 3.35Å; I43-L86 HydrophobicContact CD1-CD1 4.22Å; I43-L86 HydrophobicContact CD1-CG 4.21Å |
| 44 | N | 88.4 | Confident | 90.4 | Very high | 53 Ų | 53 | 62 Ų | 62 | 28% | 0.283 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 106.5 | 175.3 | -177.8 | -26.7 | 0 | 0 | 0 | 110.1 | K46 L48 F83 | N44-K46 WeakPolarHBondContact OD1-CB 3.34Å; N44-K46 PolarHBondContact OD1-N 3.42Å; N44-L48 WeakPolarHBondContact O-CG 3.48Å; N44-F83 HydrophobicContact CB-CD1 4.3Å; N44-F83 HydrophobicContact CB-CE1 4.08Å |
| 45 | T | 88 | Confident | 89.9 | Confident | 29 Ų | 29 | 59.8 Ų | 59.8 | 18% | 0.178 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -78.1 | -22 | -176.6 | 56.3 | 0 | 0 | 0 | 0 | 113.6 | I43 R47 L48 M53 L56 G82 F83 H84 | I43-T45 PolarHBondContact O-N 3.21Å; T45-R47 PolarHBondContact O-N 3.26Å; T45-L48 HydrophobicContact CG2-CD1 4.31Å; T45-L48 PolarHBondContact O-N 3.02Å; T45-M53 HydrophobicContact CG2-CE 3.98Å; T45-M53 HydrophobicContact CG2-SD 4.44Å; T45-L56 HydrophobicContact CG2-CD2 4.35Å; T45-G82 PolarHBondContact N-O 3.11Å; T45-G82 WeakPolarHBondContact OG1-CA 3.4Å; T45-G82 PolarHBondContact OG1-O 3.19Å; T45-G82 VanDerWaalsContact OG1-O 3.06Å; T45-F83 PolarHBondContact OG1-N 3.36Å; T45-H84 HydrophobicContact CG2-CB 3.64Å |
| 46 | K | 85.5 | Confident | 89.6 | Confident | 160 Ų | 160 | 58 Ų | 58 | 70% | 0.696 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -63.6 | -24.2 | -179.7 | -66.7 | 175.8 | 170.8 | 162.3 | 0 | 113.3 | N44 | N44-K46 WeakPolarHBondContact OD1-CB 3.34Å; N44-K46 PolarHBondContact OD1-N 3.42Å |
| 47 | R | 77.1 | Confident | 89.4 | Confident | 189 Ų | 189 | 57.5 Ų | 57.5 | 71% | 0.713 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -104.8 | 1.4 | -177.6 | -56.5 | -174.2 | 78.6 | -172 | 4.5 | 113.1 | T45 | T45-R47 PolarHBondContact O-N 3.26Š|
| 48 | L | 81.8 | Confident | 89.2 | Confident | 33 Ų | 33 | 54.5 Ų | 54.5 | 17% | 0.173 | 26% | 0.262 | C | S | . | . | trans | -81.5 | 139.3 | -178.8 | -64.9 | -177.3 | 0 | 0 | 0 | 111 | I43 N44 T45 D52 M53 L56 | I43-L48 HydrophobicContact CG2-CD1 3.91Å; I43-L48 HydrophobicContact CG2-CD2 4.44Å; N44-L48 WeakPolarHBondContact O-CG 3.48Å; T45-L48 HydrophobicContact CG2-CD1 4.31Å; T45-L48 PolarHBondContact O-N 3.02Å; L48-D52 HydrophobicContact CB-CB 4.2Å; L48-D52 HydrophobicContact CD2-CB 3.96Å; L48-M53 HydrophobicContact CB-CE 4.24Å; L48-M53 HydrophobicContact CD1-CE 4.1Å; L48-M53 HydrophobicContact CD1-SD 4.44Å; L48-L56 HydrophobicContact CD1-CD2 3.84Å | ||
| 49 | S | 83.8 | Confident | 89 | Confident | 54 Ų | 54 | 54.6 Ų | 54.6 | 38% | 0.378 | 26% | 0.263 | S | S | . | . | trans | -68.1 | 159.5 | 165 | 73.4 | 0 | 0 | 0 | 0 | 110.2 | R51 D52 M53 | S49-R51 PolarHBondContact O-N 2.97Å; S49-R51 PolarHBondContact OG-N 2.92Å; S49-D52 WeakPolarHBondContact CB-OD2 3.41Å; S49-D52 PolarHBondContact O-N 2.98Å; S49-D52 PolarHBondContact OG-N 3.04Å; S49-D52 VanDerWaalsContact OG-N 3.1Å; S49-D52 PolarHBondContact OG-OD2 2.79Å; S49-M53 PolarHBondContact O-N 3.19Å | ||
| 50 | T | 85.7 | Confident | 88.8 | Confident | 114 Ų | 114 | 54.2 Ų | 54.2 | 70% | 0.699 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -51 | -34.1 | 172.5 | -50.9 | 0 | 0 | 0 | 0 | 112.1 | M53 Q54 | T50-M53 WeakPolarHBondContact O-CB 3.32Å; T50-Q54 WeakPolarHBondContact O-CG 3.36Å; T50-Q54 PolarHBondContact O-N 3.15Å |
| 51 | R | 82.7 | Confident | 88.7 | Confident | 51 Ų | 51 | 58.7 Ų | 58.7 | 19% | 0.192 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -75.3 | -41.8 | 179.5 | -178.7 | 169.6 | 173.6 | -150.8 | -18.9 | 113 | S49 M53 Q54 K55 D339 S340 S341 | S49-R51 PolarHBondContact O-N 2.97Å; S49-R51 PolarHBondContact OG-N 2.92Å; R51-M53 PolarHBondContact O-N 2.78Å; R51-Q54 WeakPolarHBondContact O-CB 3.03Å; R51-Q54 PolarHBondContact O-N 3.05Å; R51-Q54 VanDerWaalsContact O-N 3.16Å; R51-K55 WeakPolarHBondContact O-CG 3.23Å; R51-K55 PolarHBondContact O-N 3.43Å; R51-D339 IonicContact CZ-OD1 2.91Å; R51-D339 IonicContact NE-OD1 3.48Å; R51-D339 PolarHBondContact NE-OD1 2.76Å; R51-D339 VanDerWaalsContact NH2-CA 3.26Å; R51-D339 PolarHBondContact NH2-O 2.79Å; R51-D339 IonicContact NH2-OD1 3Å; R51-D339 PolarHBondContact NH2-OD1 3.24Å; R51-S340 PolarHBondContact NH1-O 3.41Å; R51-S341 PolarHBondContact NE-OG 3.18Å; R51-S341 PolarHBondContact NH1-OG 3.11Å; R51-S341 PolarHBondContact NH2-OG 3.43Å |
| 52 | D | 85.4 | Confident | 88.8 | Confident | 48 Ų | 48 | 57.1 Ų | 57.1 | 26% | 0.257 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.8 | -30.1 | 176.4 | -58.2 | -46 | 0 | 0 | 0 | 110.8 | L48 S49 K55 L56 | L48-D52 HydrophobicContact CB-CB 4.2Å; L48-D52 HydrophobicContact CD2-CB 3.96Å; S49-D52 WeakPolarHBondContact CB-OD2 3.41Å; S49-D52 PolarHBondContact O-N 2.98Å; S49-D52 PolarHBondContact OG-N 3.04Å; S49-D52 VanDerWaalsContact OG-N 3.1Å; S49-D52 PolarHBondContact OG-OD2 2.79Å; D52-K55 PolarHBondContact O-N 2.97Å; D52-K55 IonicContact OD1-NZ 2.84Å; D52-K55 PolarHBondContact OD1-NZ 3.3Å; D52-L56 WeakPolarHBondContact O-CB 3.45Å; D52-L56 PolarHBondContact O-N 2.79Å |
| 53 | M | 87.4 | Confident | 88.9 | Confident | 51 Ų | 51 | 56.7 Ų | 56.7 | 25% | 0.251 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.3 | -47.5 | 168.9 | -164.5 | 60.7 | 69.9 | 0 | 0 | 112.1 | T45 L48 S49 T50 R51 K55 L56 E57 | T45-M53 HydrophobicContact CG2-CE 3.98Å; T45-M53 HydrophobicContact CG2-SD 4.44Å; L48-M53 HydrophobicContact CB-CE 4.24Å; L48-M53 HydrophobicContact CD1-CE 4.1Å; L48-M53 HydrophobicContact CD1-SD 4.44Å; S49-M53 PolarHBondContact O-N 3.19Å; T50-M53 WeakPolarHBondContact O-CB 3.32Å; R51-M53 PolarHBondContact O-N 2.78Å; M53-K55 VanDerWaalsContact C-N 3.3Å; M53-K55 PolarHBondContact O-N 2.65Å; M53-L56 WeakPolarHBondContact O-CB 3.43Å; M53-L56 PolarHBondContact O-N 2.98Å; M53-L56 HydrophobicContact SD-CD2 4.36Å; M53-E57 WeakPolarHBondContact O-CG 3.45Å; M53-E57 PolarHBondContact O-N 3.26Å |
| 54 | Q | 89.4 | Confident | 89.1 | Confident | 118 Ų | 118 | 62.7 Ų | 62.7 | 55% | 0.551 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.3 | -36 | 176.9 | -71.7 | 172.9 | -8.2 | 0 | 0 | 112.7 | T50 R51 R58 | T50-Q54 WeakPolarHBondContact O-CG 3.36Å; T50-Q54 PolarHBondContact O-N 3.15Å; R51-Q54 WeakPolarHBondContact O-CB 3.03Å; R51-Q54 PolarHBondContact O-N 3.05Å; R51-Q54 VanDerWaalsContact O-N 3.16Å; Q54-R58 WeakPolarHBondContact O-CB 3.48Å; Q54-R58 PolarHBondContact O-N 3.06Å |
| 55 | K | 88.5 | Confident | 89.4 | Confident | 31 Ų | 31 | 64.3 Ų | 64.3 | 14% | 0.135 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.4 | -44.9 | 174 | -68.5 | 176.8 | -172.9 | 166.3 | 0 | 111.1 | R51 D52 M53 R58 E59 S341 | R51-K55 WeakPolarHBondContact O-CG 3.23Å; R51-K55 PolarHBondContact O-N 3.43Å; D52-K55 PolarHBondContact O-N 2.97Å; D52-K55 IonicContact OD1-NZ 2.84Å; D52-K55 PolarHBondContact OD1-NZ 3.3Å; M53-K55 VanDerWaalsContact C-N 3.3Å; M53-K55 PolarHBondContact O-N 2.65Å; K55-R58 PolarHBondContact O-N 3.49Å; K55-E59 PolarHBondContact O-N 3.23Å; K55-S341 PolarHBondContact NZ-O 2.97Å; K55-S341 PolarHBondContact NZ-OG 2.89Å; K55-S341 VanDerWaalsContact NZ-OG 3.11Å |
| 56 | L | 90.3 | Very high | 89.9 | Confident | 9 Ų | 9 | 63 Ų | 63 | 5% | 0.047 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.4 | -45.6 | 177.7 | 178.8 | 59 | 0 | 0 | 0 | 111.9 | I43 T45 L48 D52 M53 R58 E59 A60 H84 L86 | I43-L56 HydrophobicContact CB-CD2 4.27Å; I43-L56 HydrophobicContact CD1-CD1 3.89Å; I43-L56 HydrophobicContact CG1-CD1 4.06Å; I43-L56 HydrophobicContact CG2-CD2 4.06Å; T45-L56 HydrophobicContact CG2-CD2 4.35Å; L48-L56 HydrophobicContact CD1-CD2 3.84Å; D52-L56 WeakPolarHBondContact O-CB 3.45Å; D52-L56 PolarHBondContact O-N 2.79Å; M53-L56 WeakPolarHBondContact O-CB 3.43Å; M53-L56 PolarHBondContact O-N 2.98Å; M53-L56 HydrophobicContact SD-CD2 4.36Å; L56-R58 VanDerWaalsContact C-N 3.32Å; L56-R58 PolarHBondContact O-N 3.43Å; L56-E59 PolarHBondContact O-N 3.44Å; L56-A60 WeakPolarHBondContact O-CB 3.25Å; L56-A60 PolarHBondContact O-N 3.17Å; L56-H84 HydrophobicContact CD2-CB 3.85Å; L56-H84 WeakPolarHBondContact CD2-ND1 3.26Å; L56-L86 HydrophobicContact CD1-CD1 4.06Å |
| 57 | E | 92.3 | Very high | 90.4 | Very high | 93 Ų | 93 | 61.6 Ų | 61.6 | 44% | 0.435 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62 | -38.3 | 175.3 | -72.7 | 177.5 | 175.9 | 0 | 0 | 112.4 | M53 R61 | M53-E57 WeakPolarHBondContact O-CG 3.45Å; M53-E57 PolarHBondContact O-N 3.26Å; E57-R61 VanDerWaalsContact O-CB 3.3Å; E57-R61 WeakPolarHBondContact O-CB 3.37Å; E57-R61 PolarHBondContact O-N 3.06Å |
| 58 | R | 93.5 | Very high | 91.4 | Very high | 32 Ų | 32 | 54.4 Ų | 54.4 | 12% | 0.121 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.3 | -47.3 | 174.6 | 179.8 | 173.5 | 68.4 | -154.3 | -2.8 | 111.3 | Q54 K55 L56 R61 I62 A159 D339 | Q54-R58 WeakPolarHBondContact O-CB 3.48Å; Q54-R58 PolarHBondContact O-N 3.06Å; K55-R58 PolarHBondContact O-N 3.49Å; L56-R58 VanDerWaalsContact C-N 3.32Å; L56-R58 PolarHBondContact O-N 3.43Å; R58-R61 PolarHBondContact O-N 2.65Å; R58-I62 HydrophobicContact CG-CD1 3.85Å; R58-I62 HydrophobicContact CG-CG1 4.46Å; R58-I62 WeakPolarHBondContact O-CB 3.2Å; R58-I62 WeakPolarHBondContact O-CG1 3.28Å; R58-I62 PolarHBondContact O-N 2.72Å; R58-A159 PolarHBondContact NE-O 3Å; R58-D339 IonicContact CZ-OD2 3.01Å; R58-D339 IonicContact NH1-OD2 3.32Å; R58-D339 PolarHBondContact NH1-OD2 2.83Å; R58-D339 IonicContact NH2-OD2 2.72Å |
| 59 | E | 94.1 | Very high | 92.2 | Very high | 16 Ų | 16 | 57 Ų | 57 | 8% | 0.075 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.2 | -52.4 | 176.2 | -178.7 | -177 | 169.3 | 0 | 0 | 110.5 | K41 K55 L56 R61 I62 C63 | K41-E59 IonicContact NZ-OE1 3.47Å; K41-E59 PolarHBondContact NZ-OE1 2.78Å; K41-E59 IonicContact NZ-OE2 2.62Å; K55-E59 PolarHBondContact O-N 3.23Å; L56-E59 PolarHBondContact O-N 3.44Å; E59-R61 VanDerWaalsContact C-N 3.32Å; E59-R61 PolarHBondContact O-N 2.94Å; E59-I62 PolarHBondContact O-N 3Å; E59-C63 WeakPolarHBondContact O-CB 3.29Å; E59-C63 PolarHBondContact O-N 3.26Å; E59-C63 PolarHBondContact O-SG 2.98Å; E59-C63 VanDerWaalsContact O-SG 3.32Å |
| 60 | A | 94.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.008 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.7 | -39.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L56 R64 L86 | L56-A60 WeakPolarHBondContact O-CB 3.25Å; L56-A60 PolarHBondContact O-N 3.17Å; A60-R64 VanDerWaalsContact O-CG 3.3Å; A60-R64 WeakPolarHBondContact O-CG 3.47Å; A60-R64 PolarHBondContact O-N 2.98Å; A60-R64 PolarHBondContact O-NE 3.22Å; A60-R64 VanDerWaalsContact O-NE 3.17Å; A60-L86 HydrophobicContact CB-CD2 3.82Å |
| 61 | R | 95.4 | Very high | 93.5 | Very high | 94 Ų | 94 | 49.5 Ų | 49.5 | 36% | 0.355 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.4 | -48.9 | 174.9 | -177 | 175.2 | 62.4 | -103.9 | 0.8 | 112.2 | E57 R58 E59 R64 E161 | E57-R61 VanDerWaalsContact O-CB 3.3Å; E57-R61 WeakPolarHBondContact O-CB 3.37Å; E57-R61 PolarHBondContact O-N 3.06Å; R58-R61 PolarHBondContact O-N 2.65Å; E59-R61 VanDerWaalsContact C-N 3.32Å; E59-R61 PolarHBondContact O-N 2.94Å; R61-R64 PolarHBondContact O-N 3.02Å; R61-E161 IonicContact CZ-OE2 3.85Å; R61-E161 VanDerWaalsContact CZ-OE2 3.26Å; R61-E161 IonicContact NE-OE1 2.77Å; R61-E161 IonicContact NE-OE2 3.63Å; R61-E161 PolarHBondContact NE-OE2 3.21Å; R61-E161 IonicContact NH2-OE2 3.87Å; R61-E161 PolarHBondContact NH2-OE2 3.46Å |
| 62 | I | 96.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61 | -50.1 | 179 | -73.6 | 174.7 | 0 | 0 | 0 | 110.3 | R58 E59 R64 L65 L66 I130 F156 A159 E161 | R58-I62 HydrophobicContact CG-CD1 3.85Å; R58-I62 HydrophobicContact CG-CG1 4.46Å; R58-I62 WeakPolarHBondContact O-CB 3.2Å; R58-I62 WeakPolarHBondContact O-CG1 3.28Å; R58-I62 PolarHBondContact O-N 2.72Å; E59-I62 PolarHBondContact O-N 3Å; I62-R64 VanDerWaalsContact C-N 3.26Å; I62-R64 PolarHBondContact O-N 3.12Å; I62-L65 WeakPolarHBondContact O-CB 3.4Å; I62-L65 PolarHBondContact O-N 3.47Å; I62-L66 HydrophobicContact CG2-CD1 3.98Å; I62-L66 PolarHBondContact O-N 3.14Å; I62-I130 HydrophobicContact CG2-CD1 3.96Å; I62-I130 HydrophobicContact CG2-CG1 4.15Å; I62-I130 HydrophobicContact CG2-CG2 3.74Å; I62-F156 HydrophobicContact CG2-CB 4.43Å; I62-F156 HydrophobicContact CG2-CD1 3.95Å; I62-F156 HydrophobicContact CG2-CG 4.49Å; I62-A159 VanDerWaalsContact CD1-C 3.49Å; I62-A159 HydrophobicContact CD1-CB 3.79Å; I62-A159 WeakPolarHBondContact CD1-O 3.37Å; I62-A159 HydrophobicContact CG2-CB 4.16Å; I62-E161 HydrophobicContact CD1-CG 4.21Å; I62-E161 HydrophobicContact CG1-CG 3.93Å |
| 63 | C | 96.4 | Very high | 94.8 | Very high | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.034 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.1 | -32.9 | -178.5 | -73.5 | 0 | 0 | 0 | 0 | 113.2 | E59 L65 L66 L74 F88 | E59-C63 WeakPolarHBondContact O-CB 3.29Å; E59-C63 PolarHBondContact O-N 3.26Å; E59-C63 PolarHBondContact O-SG 2.98Å; E59-C63 VanDerWaalsContact O-SG 3.32Å; C63-L65 VanDerWaalsContact C-N 3.28Å; C63-L65 PolarHBondContact O-N 2.86Å; C63-L66 PolarHBondContact O-N 2.86Å; C63-L74 HydrophobicContact CB-CB 3.8Å; C63-L74 HydrophobicContact CB-CD2 3.58Å; C63-L74 HydrophobicContact CB-CG 4.3Å; C63-F88 HydrophobicContact CB-CE1 4.32Å |
| 64 | R | 95.6 | Very high | 95.2 | Very high | 136 Ų | 136 | 48 Ų | 48 | 51% | 0.513 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.2 | -30.2 | 175.6 | -81.1 | -179.6 | -69.5 | 167.2 | -6.1 | 113.5 | A60 R61 I62 L66 L74 D77 | A60-R64 VanDerWaalsContact O-CG 3.3Å; A60-R64 WeakPolarHBondContact O-CG 3.47Å; A60-R64 PolarHBondContact O-N 2.98Å; A60-R64 PolarHBondContact O-NE 3.22Å; A60-R64 VanDerWaalsContact O-NE 3.17Å; R61-R64 PolarHBondContact O-N 3.02Å; I62-R64 VanDerWaalsContact C-N 3.26Å; I62-R64 PolarHBondContact O-N 3.12Å; R64-L66 VanDerWaalsContact C-N 3.34Å; R64-L74 HydrophobicContact CG-CD2 3.86Å; R64-D77 IonicContact NE-OD2 2.9Å |
| 65 | L | 94.2 | Very high | 95.6 | Very high | 86 Ų | 86 | 47 Ų | 47 | 45% | 0.45 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -77.4 | -23.9 | 179.3 | -60.3 | 173.5 | 0 | 0 | 0 | 112 | I62 C63 I130 | I62-L65 WeakPolarHBondContact O-CB 3.4Å; I62-L65 PolarHBondContact O-N 3.47Å; C63-L65 VanDerWaalsContact C-N 3.28Å; C63-L65 PolarHBondContact O-N 2.86Å; L65-I130 HydrophobicContact CB-CD1 4.42Å; L65-I130 HydrophobicContact CD1-CD1 4.48Å |
| 66 | L | 97.3 | Very high | 95.9 | Very high | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.016 | 22% | 0.217 | C | C | . | . | trans | -91.6 | 114.5 | -170.4 | -63.3 | 176.2 | 0 | 0 | 0 | 112.2 | I62 C63 R64 I71 Y124 N128 I130 F156 | I62-L66 HydrophobicContact CG2-CD1 3.98Å; I62-L66 PolarHBondContact O-N 3.14Å; C63-L66 PolarHBondContact O-N 2.86Å; R64-L66 VanDerWaalsContact C-N 3.34Å; L66-I71 HydrophobicContact CB-CD1 4.38Å; L66-I71 HydrophobicContact CB-CG2 4.32Å; L66-I71 HydrophobicContact CD1-CD1 4.46Å; L66-I71 HydrophobicContact CD2-CD1 4.37Å; L66-Y124 HydrophobicContact CD2-CD1 3.95Å; L66-Y124 HydrophobicContact CD2-CE1 3.74Å; L66-N128 HydrophobicContact CD2-CB 4.49Å; L66-I130 HydrophobicContact CD1-CD1 4.22Å; L66-I130 HydrophobicContact CD2-CD1 3.5Å; L66-I130 HydrophobicContact CG-CD1 3.85Å; L66-F156 HydrophobicContact CD1-CD1 3.64Å; L66-F156 HydrophobicContact CD1-CE1 3.2Å; L66-F156 HydrophobicContact CD1-CE2 4.22Å; L66-F156 HydrophobicContact CD1-CG 4.32Å; L66-F156 HydrophobicContact CD1-CZ 3.53Å | ||
| 67 | K | 97.4 | Very high | 96.1 | Very high | 129 Ų | 129 | 49.5 Ų | 49.5 | 56% | 0.561 | 23% | 0.226 | S | C | * | . | trans | -133.7 | 89.6 | 177 | -64.7 | 178.6 | -174.5 | 172.8 | 0 | 109.5 | Y124 | K67-Y124 PolarHBondContact N-OH 2.81Å; K67-Y124 PolarHBondContact O-OH 2.87Å | ||
| 68 | H | 98.3 | Very high | 96.2 | Very high | 38 Ų | 38 | 45.5 Ų | 45.5 | 18% | 0.176 | 21% | 0.207 | C | C | . | . | trans | -141.8 | 142.3 | -177.1 | -170.6 | -95.5 | 0 | 0 | 0 | 110.2 | N70 I71 Y124 | H68-N70 PolarHBondContact CE1-OD1 3.45Å; H68-N70 PolarHBondContact ND1-N 3.34Å; H68-N70 VanDerWaalsContact ND1-N 3.11Å; H68-N70 PolarHBondContact O-N 3.02Å; H68-I71 HydrophobicContact CB-CB 4.16Å; H68-I71 HydrophobicContact CB-CD1 3.8Å; H68-I71 HydrophobicContact CB-CG1 3.93Å; H68-I71 PolarHBondContact O-N 2.86Å; H68-I71 VanDerWaalsContact O-N 3.07Å; H68-Y124 HydrophobicContact CB-CD1 3.78Å; H68-Y124 HydrophobicContact CB-CD2 4.35Å; H68-Y124 HydrophobicContact CB-CE1 4.08Å; H68-Y124 HydrophobicContact CB-CG 3.94Å; H68-Y124 AromaticContact CD2-CD2 3.61Å; H68-Y124 AromaticContact CD2-CG 3.62Å; H68-Y124 AromaticContact CG-CG 3.92Å | ||
| 69 | P | 97.7 | Very high | 96.1 | Very high | 87 Ų | 87 | 49.8 Ų | 49.8 | 57% | 0.565 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -36.3 | 179.1 | 19.8 | -33.1 | 0 | 0 | 0 | 113.1 | I71 K152 | P69-I71 PolarHBondContact O-N 3.01Å; P69-K152 PolarHBondContact O-NZ 3.46Å; P69-K152 VanDerWaalsContact O-NZ 3.17Å |
| 70 | N | 98.6 | Very high | 95.8 | Very high | 10 Ų | 10 | 51.1 Ų | 51.1 | 5% | 0.053 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 19.1 | 179.6 | -51.7 | 99.3 | 0 | 0 | 0 | 114.8 | H68 Q117 S121 V151 K152 L153 | H68-N70 PolarHBondContact CE1-OD1 3.45Å; H68-N70 PolarHBondContact ND1-N 3.34Å; H68-N70 VanDerWaalsContact ND1-N 3.11Å; H68-N70 PolarHBondContact O-N 3.02Å; N70-Q117 WeakPolarHBondContact CB-O 3.43Å; N70-Q117 WeakPolarHBondContact ND2-CB 3.23Å; N70-Q117 PolarHBondContact ND2-OE1 3.17Å; N70-Q117 VanDerWaalsContact ND2-OE1 3.12Å; N70-S121 VanDerWaalsContact O-CB 3.31Å; N70-S121 WeakPolarHBondContact O-CB 3.49Å; N70-V151 WeakPolarHBondContact CA-O 3.47Å; N70-V151 VanDerWaalsContact CB-O 3.26Å; N70-V151 WeakPolarHBondContact CB-O 3.33Å; N70-V151 PolarHBondContact ND2-O 3.32Å; N70-K152 WeakPolarHBondContact O-CA 3.46Å; N70-L153 PolarHBondContact O-N 3.42Å |
| 71 | I | 98.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -123.9 | 142.1 | 172.3 | -63.3 | 176.5 | 0 | 0 | 0 | 108.2 | L66 H68 P69 R73 Y124 K152 F156 | L66-I71 HydrophobicContact CB-CD1 4.38Å; L66-I71 HydrophobicContact CB-CG2 4.32Å; L66-I71 HydrophobicContact CD1-CD1 4.46Å; L66-I71 HydrophobicContact CD2-CD1 4.37Å; H68-I71 HydrophobicContact CB-CB 4.16Å; H68-I71 HydrophobicContact CB-CD1 3.8Å; H68-I71 HydrophobicContact CB-CG1 3.93Å; H68-I71 PolarHBondContact O-N 2.86Å; H68-I71 VanDerWaalsContact O-N 3.07Å; P69-I71 PolarHBondContact O-N 3.01Å; I71-R73 PolarHBondContact O-N 3.47Å; I71-R73 VanDerWaalsContact O-N 3.16Å; I71-Y124 HydrophobicContact CD1-CD1 3.81Å; I71-K152 PolarHBondContact O-NZ 3.17Å; I71-F156 HydrophobicContact CD1-CZ 4.4Å; I71-F156 HydrophobicContact CG2-CE2 3.76Å; I71-F156 HydrophobicContact CG2-CZ 3.92Å |
| 72 | V | 97.5 | Very high | 94.9 | Very high | 16 Ų | 16 | 54.4 Ų | 54.4 | 10% | 0.097 | 26% | 0.259 | C | S | . | . | trans | -68.3 | 106.9 | 170.3 | 176.4 | 0 | 0 | 0 | 0 | 108.4 | F88 D89 V91 K152 L153 A154 | V72-F88 HydrophobicContact CG1-CB 3.81Å; V72-F88 HydrophobicContact CG1-CD1 3.92Å; V72-F88 HydrophobicContact CG1-CG 4.17Å; V72-D89 HydrophobicContact CG1-CB 4.23Å; V72-V91 HydrophobicContact CG2-CG1 3.99Å; V72-K152 HydrophobicContact CG2-CB 3.8Å; V72-K152 HydrophobicContact CG2-CD 4.47Å; V72-L153 PolarHBondContact N-O 3.32Å; V72-A154 HydrophobicContact CB-CB 4.37Å; V72-A154 HydrophobicContact CG2-CB 3.72Å | ||
| 73 | R | 97.4 | Very high | 94.7 | Very high | 92 Ų | 92 | 58 Ų | 58 | 35% | 0.347 | 28% | 0.275 | S | S | . | . | trans | -76.5 | 136.1 | -172.6 | 177.4 | 174.6 | 174.3 | -178.2 | -3.2 | 111.5 | I71 Y75 F88 D89 | I71-R73 PolarHBondContact O-N 3.47Å; I71-R73 VanDerWaalsContact O-N 3.16Å; R73-Y75 HydrophobicContact CB-CE2 3.99Å; R73-Y75 HydrophobicContact CG-CD2 4.32Å; R73-Y75 HydrophobicContact CG-CE2 3.98Å; R73-F88 CarbonylContact O-C 3.49Å; R73-F88 WeakPolarHBondContact O-CA 3.22Å; R73-D89 WeakPolarHBondContact CB-OD2 3.41Å; R73-D89 PolarHBondContact N-OD2 3.19Å; R73-D89 PolarHBondContact O-N 2.63Å | ||
| 74 | L | 97.2 | Very high | 94.5 | Very high | 11 Ų | 11 | 57.9 Ų | 57.9 | 6% | 0.058 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 126 | 164.6 | -176 | 69.6 | 0 | 0 | 0 | 109.9 | C63 R64 D76 L86 F88 | C63-L74 HydrophobicContact CB-CB 3.8Å; C63-L74 HydrophobicContact CB-CD2 3.58Å; C63-L74 HydrophobicContact CB-CG 4.3Å; R64-L74 HydrophobicContact CG-CD2 3.86Å; L74-D76 VanDerWaalsContact CD1-O 3.24Å; L74-D76 WeakPolarHBondContact CD1-O 3.5Å; L74-L86 HydrophobicContact CD1-CB 3.76Å; L74-L86 HydrophobicContact CD1-CD2 4.23Å; L74-L86 HydrophobicContact CD2-CD2 4.46Å; L74-F88 HydrophobicContact CB-CD1 3.99Å; L74-F88 HydrophobicContact CB-CE1 3.8Å; L74-F88 HydrophobicContact CD1-CD1 4.01Å; L74-F88 HydrophobicContact CD1-CD2 4.26Å; L74-F88 HydrophobicContact CD1-CE1 3.75Å; L74-F88 HydrophobicContact CD1-CE2 4.03Å; L74-F88 HydrophobicContact CD1-CG 4.27Å; L74-F88 HydrophobicContact CD1-CZ 3.77Å; L74-F88 HydrophobicContact CG-CE1 4.33Å |
| 75 | Y | 96.4 | Very high | 94.5 | Very high | 98 Ų | 98 | 52.7 Ų | 52.7 | 38% | 0.384 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | -39.1 | 177.2 | -70 | -95 | 0 | 0 | 0 | 112.1 | F38 R73 V87 D89 | F38-Y75 AromaticContact CD1-CD2 3.87Å; F38-Y75 HydrophobicContact CD1-CD2 3.87Å; F38-Y75 HydrophobicContact CD1-CE2 4.13Å; F38-Y75 HydrophobicContact CD1-CG 4.2Å; F38-Y75 AromaticContact CE1-CD1 3.92Å; F38-Y75 HydrophobicContact CE1-CD1 3.92Å; F38-Y75 AromaticContact CE1-CD2 3.8Å; F38-Y75 HydrophobicContact CE1-CD2 3.8Å; F38-Y75 HydrophobicContact CE1-CE1 4.06Å; F38-Y75 AromaticContact CE1-CE2 3.94Å; F38-Y75 HydrophobicContact CE1-CE2 3.94Å; F38-Y75 AromaticContact CE1-CG 3.8Å; F38-Y75 HydrophobicContact CE1-CG 3.8Å; R73-Y75 HydrophobicContact CB-CE2 3.99Å; R73-Y75 HydrophobicContact CG-CD2 4.32Å; R73-Y75 HydrophobicContact CG-CE2 3.98Å; Y75-V87 PolarHBondContact N-O 2.99Å; Y75-D89 HydrophobicContact CE2-CB 4.5Å; Y75-D89 WeakPolarHBondContact CE2-OD1 3.38Å; Y75-D89 PolarHBondContact OH-OD1 3.15Å |
| 76 | D | 95.4 | Very high | 94.6 | Very high | 47 Ų | 47 | 48.6 Ų | 48.6 | 25% | 0.251 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 150.6 | -172.7 | -142.1 | -21.7 | 0 | 0 | 0 | 111.9 | Y12 L74 I78 V87 | Y12-D76 HydrophobicContact CE2-CB 4.36Å; Y12-D76 WeakPolarHBondContact CE2-OD2 3.4Å; Y12-D76 PolarHBondContact OH-OD2 2.87Å; L74-D76 VanDerWaalsContact CD1-O 3.24Å; L74-D76 WeakPolarHBondContact CD1-O 3.5Å; D76-I78 HydrophobicContact CB-CD1 4.44Å; D76-I78 HydrophobicContact CB-CG1 4.49Å; D76-V87 HydrophobicContact CB-CB 3.79Å; D76-V87 HydrophobicContact CB-CG2 3.9Å; D76-V87 PolarHBondContact N-O 3.18Å; D76-V87 PolarHBondContact O-N 3.42Å |
| 77 | D | 94 | Very high | 94.6 | Very high | 44 Ų | 44 | 48.4 Ų | 48.4 | 24% | 0.235 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 94.5 | -174.2 | 175.8 | 12.1 | 0 | 0 | 0 | 108 | R64 H84 L86 | R64-D77 IonicContact NE-OD2 2.9Å; D77-H84 IonicContact OD1-CD2 3.56Å; D77-H84 PolarHBondContact OD1-CD2 3.27Å; D77-H84 IonicContact OD1-CE1 2.63Å; D77-H84 IonicContact OD1-NE2 3.82Å; D77-H84 PolarHBondContact OD1-NE2 2.93Å; D77-L86 HydrophobicContact CB-CD2 4.23Å; D77-L86 WeakPolarHBondContact OD1-CD2 3.37Å |
| 78 | I | 94.5 | Very high | 94.6 | Very high | 10 Ų | 10 | 43.4 Ų | 43.4 | 5% | 0.051 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 121.6 | -169.1 | -55.9 | 168 | 0 | 0 | 0 | 109.7 | F8 L11 Y12 D76 Y85 | F8-I78 HydrophobicContact CB-CG2 4.23Å; F8-I78 HydrophobicContact CD2-CD1 4.05Å; L11-I78 HydrophobicContact CD1-CD1 3.87Å; Y12-I78 HydrophobicContact CD2-CD1 3.97Å; Y12-I78 HydrophobicContact CE2-CD1 3.73Å; D76-I78 HydrophobicContact CB-CD1 4.44Å; D76-I78 HydrophobicContact CB-CG1 4.49Å; I78-Y85 PolarHBondContact N-O 2.99Å; I78-Y85 PolarHBondContact O-N 3.19Å |
| 79 | Q | 91.4 | Very high | 94.5 | Very high | 122 Ų | 122 | 42.7 Ų | 42.7 | 57% | 0.57 | 21% | 0.208 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -98 | 126.2 | 171.9 | -62.3 | -178.2 | 5.8 | 0 | 0 | 109.4 | ||
| 80 | D | 87.3 | Confident | 94.4 | Very high | 43 Ų | 43 | 40.3 Ų | 40.3 | 23% | 0.23 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 172 | 177.4 | -159.4 | -6.7 | 0 | 0 | 0 | 109.8 | G82 F83 Y85 | D80-G82 PolarHBondContact O-N 3.28Å; D80-F83 PolarHBondContact N-O 2.96Å; D80-F83 PolarHBondContact O-N 3.03Å; D80-F83 VanDerWaalsContact O-N 3.08Å; D80-Y85 HydrophobicContact CB-CD2 4.32Å; D80-Y85 HydrophobicContact CB-CE2 3.84Å |
| 81 | E | 83.6 | Confident | 94.2 | Very high | 153 Ų | 153 | 41.3 Ų | 41.3 | 72% | 0.715 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 89.7 | -173.6 | -72.8 | -175.8 | -173.3 | 0 | 0 | 113.7 | ||
| 82 | G | 87.1 | Confident | 94 | Very high | 12 Ų | 12 | 44.6 Ų | 44.6 | 12% | 0.124 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.3 | 6.1 | 179 | 0 | 0 | 0 | 0 | 0 | 115.8 | T45 D80 | T45-G82 PolarHBondContact N-O 3.11Å; T45-G82 WeakPolarHBondContact OG1-CA 3.4Å; T45-G82 PolarHBondContact OG1-O 3.19Å; T45-G82 VanDerWaalsContact OG1-O 3.06Å; D80-G82 PolarHBondContact O-N 3.28Å |
| 83 | F | 92 | Very high | 93.8 | Very high | 76 Ų | 76 | 44.6 Ų | 44.6 | 33% | 0.333 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 148.3 | 176.8 | -65.8 | -81.6 | 0 | 0 | 0 | 111.4 | I42 I43 N44 T45 D80 Y85 | I42-F83 HydrophobicContact CG2-CB 4.45Å; I42-F83 HydrophobicContact CG2-CD1 3.81Å; I42-F83 HydrophobicContact CG2-CG 4.42Å; I43-F83 CarbonylContact O-C 3.56Å; I43-F83 VanDerWaalsContact O-CA 3.28Å; I43-F83 WeakPolarHBondContact O-CA 3.45Å; N44-F83 HydrophobicContact CB-CD1 4.3Å; N44-F83 HydrophobicContact CB-CE1 4.08Å; T45-F83 PolarHBondContact OG1-N 3.36Å; D80-F83 PolarHBondContact N-O 2.96Å; D80-F83 PolarHBondContact O-N 3.03Å; D80-F83 VanDerWaalsContact O-N 3.08Å; F83-Y85 HydrophobicContact CB-CD2 4.24Å; F83-Y85 HydrophobicContact CB-CE2 3.47Å; F83-Y85 VanDerWaalsContact CB-CE2 3.47Å; F83-Y85 HydrophobicContact CG-CE2 4.48Å |
| 84 | H | 93.2 | Very high | 93.6 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.009 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 123.2 | 172.4 | -160.9 | 158 | 0 | 0 | 0 | 107.7 | I43 T45 L56 D77 | I43-H84 HydrophobicContact CB-CB 4.39Å; I43-H84 VanDerWaalsContact CD1-O 3.29Å; I43-H84 WeakPolarHBondContact CD1-O 3.43Å; I43-H84 PolarHBondContact N-O 3.31Å; I43-H84 PolarHBondContact O-N 3.35Å; T45-H84 HydrophobicContact CG2-CB 3.64Å; L56-H84 HydrophobicContact CD2-CB 3.85Å; L56-H84 WeakPolarHBondContact CD2-ND1 3.26Å; D77-H84 IonicContact OD1-CD2 3.56Å; D77-H84 PolarHBondContact OD1-CD2 3.27Å; D77-H84 IonicContact OD1-CE1 2.63Å; D77-H84 IonicContact OD1-NE2 3.82Å; D77-H84 PolarHBondContact OD1-NE2 2.93Å |
| 85 | Y | 95.2 | Very high | 93.5 | Very high | 26 Ų | 26 | 44 Ų | 44 | 10% | 0.102 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 120.4 | -178.1 | -60 | -98.4 | 0 | 0 | 0 | 109.3 | F8 K41 I42 I78 D80 F83 | F8-Y85 HydrophobicContact CB-CD1 4.23Å; F8-Y85 HydrophobicContact CB-CD2 3.82Å; F8-Y85 HydrophobicContact CB-CE1 4.3Å; F8-Y85 HydrophobicContact CB-CE2 3.9Å; F8-Y85 HydrophobicContact CB-CG 4.01Å; F8-Y85 HydrophobicContact CD1-CD1 4.11Å; F8-Y85 HydrophobicContact CD1-CE1 4.02Å; F8-Y85 VanDerWaalsContact CD2-CB 3.49Å; F8-Y85 AromaticContact CD2-CD1 3.38Å; F8-Y85 HydrophobicContact CD2-CD1 3.38Å; F8-Y85 HydrophobicContact CD2-CD2 4.1Å; F8-Y85 HydrophobicContact CD2-CE1 4.1Å; F8-Y85 AromaticContact CD2-CG 3.39Å; F8-Y85 HydrophobicContact CD2-CG 3.39Å; F8-Y85 HydrophobicContact CE1-CD1 4.38Å; F8-Y85 HydrophobicContact CE1-CE1 4.43Å; F8-Y85 AromaticContact CE2-CD1 3.66Å; F8-Y85 HydrophobicContact CE2-CD1 3.66Å; F8-Y85 HydrophobicContact CE2-CE1 4.47Å; F8-Y85 HydrophobicContact CE2-CG 4.02Å; F8-Y85 AromaticContact CG-CD1 3.61Å; F8-Y85 HydrophobicContact CG-CD1 3.61Å; F8-Y85 HydrophobicContact CG-CD2 4.1Å; F8-Y85 AromaticContact CG-CE1 3.84Å; F8-Y85 HydrophobicContact CG-CE1 3.84Å; F8-Y85 HydrophobicContact CG-CE2 4.31Å; F8-Y85 AromaticContact CG-CG 3.76Å; F8-Y85 HydrophobicContact CG-CG 3.76Å; F8-Y85 HydrophobicContact CZ-CD1 4.16Å; K41-Y85 WeakPolarHBondContact O-CA 3.33Å; I42-Y85 HydrophobicContact CB-CD1 4.31Å; I42-Y85 HydrophobicContact CB-CE1 4.26Å; I42-Y85 HydrophobicContact CD1-CD1 4.35Å; I42-Y85 HydrophobicContact CD1-CE1 3.98Å; I42-Y85 HydrophobicContact CG1-CD1 3.78Å; I42-Y85 HydrophobicContact CG1-CE1 3.83Å; I42-Y85 HydrophobicContact CG2-CD1 4.02Å; I42-Y85 HydrophobicContact CG2-CE1 3.6Å; I78-Y85 PolarHBondContact N-O 2.99Å; I78-Y85 PolarHBondContact O-N 3.19Å; D80-Y85 HydrophobicContact CB-CD2 4.32Å; D80-Y85 HydrophobicContact CB-CE2 3.84Å; F83-Y85 HydrophobicContact CB-CD2 4.24Å; F83-Y85 HydrophobicContact CB-CE2 3.47Å; F83-Y85 VanDerWaalsContact CB-CE2 3.47Å; F83-Y85 HydrophobicContact CG-CE2 4.48Å |
| 86 | L | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 116.4 | 170.6 | -61 | -179.8 | 0 | 0 | 0 | 108.2 | A40 K41 I43 L56 A60 L74 D77 F88 | A40-L86 WeakPolarHBondContact CA-O 3.44Å; K41-L86 HydrophobicContact CB-CB 4.36Å; K41-L86 PolarHBondContact N-O 3.21Å; K41-L86 PolarHBondContact O-N 3.31Å; I43-L86 HydrophobicContact CD1-CD1 4.22Å; I43-L86 HydrophobicContact CD1-CG 4.21Å; L56-L86 HydrophobicContact CD1-CD1 4.06Å; A60-L86 HydrophobicContact CB-CD2 3.82Å; L74-L86 HydrophobicContact CD1-CB 3.76Å; L74-L86 HydrophobicContact CD1-CD2 4.23Å; L74-L86 HydrophobicContact CD2-CD2 4.46Å; D77-L86 HydrophobicContact CB-CD2 4.23Å; D77-L86 WeakPolarHBondContact OD1-CD2 3.37Å; L86-F88 HydrophobicContact CB-CD2 4.09Å; L86-F88 HydrophobicContact CB-CE2 3.36Å; L86-F88 HydrophobicContact CB-CZ 3.96Å; L86-F88 HydrophobicContact CD1-CE2 4.2Å; L86-F88 HydrophobicContact CD1-CZ 4.21Å; L86-F88 HydrophobicContact CG-CE2 4.44Å; L86-F88 WeakPolarHBondContact O-CD2 3.29Å |
| 87 | V | 97.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 110.4 | -174.6 | -176.9 | 0 | 0 | 0 | 0 | 109.8 | F8 Y12 F38 Y75 D76 | F8-V87 HydrophobicContact CE2-CG2 3.98Å; Y12-V87 HydrophobicContact CD2-CG2 4.5Å; Y12-V87 HydrophobicContact CE1-CG1 3.9Å; Y12-V87 HydrophobicContact CE2-CG2 4.21Å; F38-V87 HydrophobicContact CB-CG1 3.54Å; F38-V87 HydrophobicContact CD1-CG1 4.23Å; F38-V87 HydrophobicContact CD2-CG1 4.48Å; F38-V87 HydrophobicContact CG-CG1 3.85Å; Y75-V87 PolarHBondContact N-O 2.99Å; D76-V87 HydrophobicContact CB-CB 3.79Å; D76-V87 HydrophobicContact CB-CG2 3.9Å; D76-V87 PolarHBondContact N-O 3.18Å; D76-V87 PolarHBondContact O-N 3.42Å |
| 88 | F | 97.5 | Very high | 93.4 | Very high | 24 Ų | 24 | 37.6 Ų | 37.6 | 11% | 0.105 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 169 | -175.2 | -68.2 | -83.7 | 0 | 0 | 0 | 113.1 | F38 A39 K41 C63 V72 R73 L74 L86 L90 | F38-F88 WeakPolarHBondContact CB-O 3.46Å; A39-F88 PolarHBondContact N-O 2.64Å; A39-F88 PolarHBondContact O-N 3.22Å; K41-F88 HydrophobicContact CB-CD2 4.24Å; K41-F88 HydrophobicContact CB-CE2 4.04Å; K41-F88 HydrophobicContact CD-CE2 4.21Å; C63-F88 HydrophobicContact CB-CE1 4.32Å; V72-F88 HydrophobicContact CG1-CB 3.81Å; V72-F88 HydrophobicContact CG1-CD1 3.92Å; V72-F88 HydrophobicContact CG1-CG 4.17Å; R73-F88 CarbonylContact O-C 3.49Å; R73-F88 WeakPolarHBondContact O-CA 3.22Å; L74-F88 HydrophobicContact CB-CD1 3.99Å; L74-F88 HydrophobicContact CB-CE1 3.8Å; L74-F88 HydrophobicContact CD1-CD1 4.01Å; L74-F88 HydrophobicContact CD1-CD2 4.26Å; L74-F88 HydrophobicContact CD1-CE1 3.75Å; L74-F88 HydrophobicContact CD1-CE2 4.03Å; L74-F88 HydrophobicContact CD1-CG 4.27Å; L74-F88 HydrophobicContact CD1-CZ 3.77Å; L74-F88 HydrophobicContact CG-CE1 4.33Å; L86-F88 HydrophobicContact CB-CD2 4.09Å; L86-F88 HydrophobicContact CB-CE2 3.36Å; L86-F88 HydrophobicContact CB-CZ 3.96Å; L86-F88 HydrophobicContact CD1-CE2 4.2Å; L86-F88 HydrophobicContact CD1-CZ 4.21Å; L86-F88 HydrophobicContact CG-CE2 4.44Å; L86-F88 WeakPolarHBondContact O-CD2 3.29Å; F88-L90 PolarHBondContact O-N 3.23Å |
| 89 | D | 96.8 | Very high | 93.4 | Very high | 23 Ų | 23 | 39.4 Ų | 39.4 | 12% | 0.123 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -46.1 | 132 | 161.8 | -74.5 | -37.7 | 0 | 0 | 0 | 110.2 | V72 R73 Y75 V91 K152 | V72-D89 HydrophobicContact CG1-CB 4.23Å; R73-D89 WeakPolarHBondContact CB-OD2 3.41Å; R73-D89 PolarHBondContact N-OD2 3.19Å; R73-D89 PolarHBondContact O-N 2.63Å; Y75-D89 HydrophobicContact CE2-CB 4.5Å; Y75-D89 WeakPolarHBondContact CE2-OD1 3.38Å; Y75-D89 PolarHBondContact OH-OD1 3.15Å; D89-V91 HydrophobicContact CB-CG1 4.41Å; D89-V91 PolarHBondContact O-N 2.84Å; D89-K152 IonicContact OD2-NZ 3.9Å; D89-K152 PolarHBondContact OD2-NZ 2.93Å |
| 90 | L | 96.3 | Very high | 93.5 | Very high | 37 Ų | 37 | 33.6 Ų | 33.6 | 19% | 0.194 | 19% | 0.185 | C | C | . | . | trans | -77.8 | 100.2 | 167.3 | -177.8 | 62.1 | 0 | 0 | 0 | 109.4 | K28 E37 A39 F88 T92 | K28-L90 HydrophobicContact CD-CD2 4.15Å; K28-L90 HydrophobicContact CG-CD2 4.08Å; E37-L90 HydrophobicContact CB-CD2 3.88Å; A39-L90 HydrophobicContact CB-CD1 4.06Å; F88-L90 PolarHBondContact O-N 3.23Å; L90-T92 HydrophobicContact CD2-CG2 4.31Å; L90-T92 HydrophobicContact CG-CG2 3.94Å | ||
| 91 | V | 94.7 | Very high | 93.8 | Very high | 30 Ų | 30 | 33.1 Ų | 33.1 | 18% | 0.182 | 18% | 0.183 | C | C | . | . | trans | -88.3 | 122.6 | 174.8 | -66 | 0 | 0 | 0 | 0 | 110.5 | V72 D89 L141 K152 | V72-V91 HydrophobicContact CG2-CG1 3.99Å; D89-V91 HydrophobicContact CB-CG1 4.41Å; D89-V91 PolarHBondContact O-N 2.84Å; V91-L141 HydrophobicContact CG2-CB 4.28Å; V91-L141 HydrophobicContact CG2-CD1 3.61Å; V91-K152 HydrophobicContact CG1-CD 3.76Å | ||
| 92 | T | 93.9 | Very high | 94.2 | Very high | 71 Ų | 71 | 29.8 Ų | 29.8 | 44% | 0.436 | 18% | 0.182 | S | C | . | . | trans | -116.6 | -5.6 | -171.8 | 56.9 | 0 | 0 | 0 | 0 | 114.1 | L90 G94 A143 S144 | L90-T92 HydrophobicContact CD2-CG2 4.31Å; L90-T92 HydrophobicContact CG-CG2 3.94Å; T92-G94 VanDerWaalsContact C-N 3.32Å; T92-A143 PolarHBondContact N-O 3.27Å; T92-A143 VanDerWaalsContact N-O 3.16Å; T92-A143 PolarHBondContact OG1-O 3.49Å; T92-S144 WeakPolarHBondContact OG1-CA 3.34Å | ||
| 93 | G | 93.2 | Very high | 94.3 | Very high | 16 Ų | 16 | 32.7 Ų | 32.7 | 17% | 0.165 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -79.5 | -10.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | L142 S144 | G93-L142 WeakPolarHBondContact CA-O 3.46Å; G93-L142 PolarHBondContact N-O 2.97Å; G93-S144 VanDerWaalsContact CA-O 3.23Å; G93-S144 WeakPolarHBondContact CA-O 3.3Å |
| 94 | G | 93.3 | Very high | 94.2 | Very high | 41 Ų | 41 | 37.9 Ų | 37.9 | 42% | 0.423 | 22% | 0.215 | S | C | . | . | trans | 75.6 | -158.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T92 L141 L142 | T92-G94 VanDerWaalsContact C-N 3.32Å; G94-L141 CarbonylContact O-C 3.58Å; G94-L141 VanDerWaalsContact O-CA 3.3Å; G94-L141 WeakPolarHBondContact O-CA 3.35Å; G94-L142 PolarHBondContact O-N 3.35Å | ||
| 95 | E | 94.7 | Very high | 94.2 | Very high | 48 Ų | 48 | 42.6 Ų | 42.6 | 22% | 0.224 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -83.3 | 135.9 | -177.8 | -63.2 | 173.4 | -128.3 | 0 | 0 | 111.3 | F97 E98 D99 L141 R296 | E95-F97 VanDerWaalsContact C-N 3.27Å; E95-F97 PolarHBondContact O-N 2.86Å; E95-E98 HydrophobicContact CB-CB 4.38Å; E95-E98 HydrophobicContact CB-CG 3.92Å; E95-E98 PolarHBondContact O-N 2.8Å; E95-D99 PolarHBondContact O-N 2.81Å; E95-D99 VanDerWaalsContact O-N 3.11Å; E95-L141 HydrophobicContact CG-CD2 3.97Å; E95-R296 IonicContact OE2-CZ 3.98Å; E95-R296 IonicContact OE2-NH1 3.73Å; E95-R296 PolarHBondContact OE2-NH1 2.8Å; E95-R296 IonicContact OE2-NH2 3.42Å; E95-R296 PolarHBondContact OE2-NH2 3.37Å |
| 96 | L | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -52.7 | -43.7 | 179.9 | 170 | 62.6 | 0 | 0 | 0 | 112.5 | E98 D99 I100 C114 I118 L140 L142 V151 | L96-E98 VanDerWaalsContact C-N 3.28Å; L96-E98 PolarHBondContact O-N 3.35Å; L96-D99 PolarHBondContact O-N 2.96Å; L96-I100 HydrophobicContact CD1-CD1 4.03Å; L96-I100 HydrophobicContact CD1-CG1 4.28Å; L96-I100 HydrophobicContact CG-CD1 4.05Å; L96-I100 WeakPolarHBondContact O-CG1 3.44Å; L96-I100 PolarHBondContact O-N 3.35Å; L96-C114 HydrophobicContact CD1-CB 4.48Å; L96-C114 HydrophobicContact CD2-CB 4.17Å; L96-I118 HydrophobicContact CD2-CD1 4.08Å; L96-L140 HydrophobicContact CB-CB 4.17Å; L96-L140 WeakPolarHBondContact CB-O 3.48Å; L96-L140 HydrophobicContact CD2-CB 4.35Å; L96-L140 HydrophobicContact CD2-CD1 4.47Å; L96-L140 PolarHBondContact N-O 3.22Å; L96-L142 HydrophobicContact CD1-CD2 4.12Å; L96-V151 HydrophobicContact CD1-CG2 4.07Å; L96-V151 HydrophobicContact CD2-CG1 4.12Å; L96-V151 HydrophobicContact CD2-CG2 4.15Å |
| 97 | F | 95.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.7 | -28.9 | -177.8 | -81 | -108.5 | 0 | 0 | 0 | 112.7 | E95 V101 P137 L140 I201 I204 L205 L289 F292 N293 | E95-F97 VanDerWaalsContact C-N 3.27Å; E95-F97 PolarHBondContact O-N 2.86Å; F97-V101 WeakPolarHBondContact O-CG2 3.44Å; F97-V101 PolarHBondContact O-N 2.87Å; F97-P137 HydrophobicContact CB-CB 4.44Å; F97-P137 HydrophobicContact CD1-CB 4.3Å; F97-P137 HydrophobicContact CD1-CG 4.32Å; F97-P137 HydrophobicContact CD2-CB 3.55Å; F97-P137 HydrophobicContact CD2-CG 4.06Å; F97-P137 HydrophobicContact CE1-CG 4.12Å; F97-P137 HydrophobicContact CE2-CB 3.8Å; F97-P137 HydrophobicContact CE2-CG 3.83Å; F97-P137 HydrophobicContact CG-CB 3.84Å; F97-P137 HydrophobicContact CG-CG 4.31Å; F97-P137 HydrophobicContact CZ-CB 4.29Å; F97-P137 HydrophobicContact CZ-CG 3.87Å; F97-L140 HydrophobicContact CE2-CD1 3.99Å; F97-I201 HydrophobicContact CE2-CG2 4.27Å; F97-I201 HydrophobicContact CZ-CG2 4.07Å; F97-I204 HydrophobicContact CD1-CG2 4.39Å; F97-I204 HydrophobicContact CE1-CB 4.11Å; F97-I204 HydrophobicContact CE1-CG2 3.6Å; F97-I204 HydrophobicContact CZ-CG2 4.48Å; F97-L205 HydrophobicContact CD1-CD2 4.49Å; F97-L205 HydrophobicContact CE1-CD2 3.88Å; F97-L205 HydrophobicContact CE1-CG 4.26Å; F97-L205 HydrophobicContact CE2-CD2 3.99Å; F97-L205 HydrophobicContact CE2-CG 4.42Å; F97-L205 HydrophobicContact CZ-CD2 3.61Å; F97-L205 HydrophobicContact CZ-CG 3.78Å; F97-L289 HydrophobicContact CD1-CD2 3.71Å; F97-L289 HydrophobicContact CE1-CD2 3.93Å; F97-F292 HydrophobicContact CD1-CD1 4.35Å; F97-F292 HydrophobicContact CD1-CE1 4.04Å; F97-F292 HydrophobicContact CE1-CE1 4.24Å; F97-N293 WeakPolarHBondContact CB-OD1 3.4Å; F97-N293 PolarHBondContact O-ND2 3.05Å |
| 98 | E | 92.7 | Very high | 94.4 | Very high | 56 Ų | 56 | 41.4 Ų | 41.4 | 26% | 0.262 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -77 | -40.2 | 176.6 | -61.2 | -72.3 | 147.6 | 0 | 0 | 110.6 | E95 L96 I100 V101 A102 N293 R296 K297 | E95-E98 HydrophobicContact CB-CB 4.38Å; E95-E98 HydrophobicContact CB-CG 3.92Å; E95-E98 PolarHBondContact O-N 2.8Å; L96-E98 VanDerWaalsContact C-N 3.28Å; L96-E98 PolarHBondContact O-N 3.35Å; E98-I100 VanDerWaalsContact C-N 3.33Å; E98-I100 PolarHBondContact O-N 2.96Å; E98-V101 PolarHBondContact O-N 3.42Å; E98-A102 PolarHBondContact O-N 2.91Å; E98-A102 VanDerWaalsContact O-N 3.11Å; E98-N293 WeakPolarHBondContact OE1-CB 3.49Å; E98-N293 PolarHBondContact OE1-ND2 3.08Å; E98-R296 IonicContact OE1-NH2 3.4Å; E98-R296 PolarHBondContact OE1-NH2 2.94Å; E98-K297 WeakPolarHBondContact OE1-CE 3.41Å; E98-K297 IonicContact OE1-NZ 3.12Å; E98-K297 PolarHBondContact OE1-NZ 3.44Å; E98-K297 IonicContact OE2-NZ 3.73Å; E98-K297 PolarHBondContact OE2-NZ 3.04Å |
| 99 | D | 94.4 | Very high | 94.3 | Very high | 47 Ų | 47 | 41 Ų | 41 | 25% | 0.251 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.3 | -44.1 | 173.4 | 178.1 | 79.5 | 0 | 0 | 0 | 111.3 | E95 L96 V101 A102 R103 L142 | E95-D99 PolarHBondContact O-N 2.81Å; E95-D99 VanDerWaalsContact O-N 3.11Å; L96-D99 PolarHBondContact O-N 2.96Å; D99-V101 VanDerWaalsContact C-N 3.3Å; D99-V101 PolarHBondContact O-N 3.32Å; D99-A102 CarbonylContact O-C 3.42Å; D99-A102 PolarHBondContact O-N 2.88Å; D99-R103 WeakPolarHBondContact O-CG 3.49Å; D99-R103 PolarHBondContact O-N 3.13Å; D99-R103 IonicContact OD2-CZ 3.22Å; D99-R103 VanDerWaalsContact OD2-CZ 3.22Å; D99-R103 IonicContact OD2-NE 2.86Å; D99-R103 PolarHBondContact OD2-NE 3.22Å; D99-R103 IonicContact OD2-NH2 2.72Å; D99-R103 PolarHBondContact OD2-NH2 2.82Å; D99-L142 HydrophobicContact CB-CD1 3.3Å |
| 100 | I | 93.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.9 | -42.7 | 175.8 | -68.6 | 166.2 | 0 | 0 | 0 | 111.5 | L96 E98 A102 R103 Y106 L205 L289 | L96-I100 HydrophobicContact CD1-CD1 4.03Å; L96-I100 HydrophobicContact CD1-CG1 4.28Å; L96-I100 HydrophobicContact CG-CD1 4.05Å; L96-I100 WeakPolarHBondContact O-CG1 3.44Å; L96-I100 PolarHBondContact O-N 3.35Å; E98-I100 VanDerWaalsContact C-N 3.33Å; E98-I100 PolarHBondContact O-N 2.96Å; I100-A102 PolarHBondContact O-N 3.21Å; I100-R103 PolarHBondContact O-N 3.21Å; I100-Y106 HydrophobicContact CB-CE2 4.44Å; I100-Y106 HydrophobicContact CD1-CE2 3.85Å; I100-Y106 HydrophobicContact CG1-CD2 4.26Å; I100-Y106 HydrophobicContact CG1-CE2 3.88Å; I100-Y106 HydrophobicContact CG2-CD1 4.01Å; I100-Y106 HydrophobicContact CG2-CD2 3.63Å; I100-Y106 HydrophobicContact CG2-CE1 4.04Å; I100-Y106 HydrophobicContact CG2-CE2 3.68Å; I100-Y106 HydrophobicContact CG2-CG 3.79Å; I100-L205 HydrophobicContact CD1-CD2 3.41Å; I100-L205 VanDerWaalsContact CD1-CD2 3.41Å; I100-L289 HydrophobicContact CG2-CD1 3.56Å |
| 101 | V | 92.4 | Very high | 94.4 | Very high | 33 Ų | 33 | 40.2 Ų | 40.2 | 20% | 0.2 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.7 | -27.5 | 177.8 | 170.3 | 0 | 0 | 0 | 0 | 112.4 | F97 E98 D99 L289 K290 N293 | F97-V101 WeakPolarHBondContact O-CG2 3.44Å; F97-V101 PolarHBondContact O-N 2.87Å; E98-V101 PolarHBondContact O-N 3.42Å; D99-V101 VanDerWaalsContact C-N 3.3Å; D99-V101 PolarHBondContact O-N 3.32Å; V101-L289 HydrophobicContact CG2-CB 3.67Å; V101-K290 HydrophobicContact CG1-CB 3.83Å; V101-K290 HydrophobicContact CG1-CD 4.39Å; V101-K290 HydrophobicContact CG1-CG 3.99Å; V101-K290 HydrophobicContact CG2-CB 4.33Å; V101-N293 WeakPolarHBondContact CG2-ND2 3.38Å |
| 102 | A | 91.7 | Very high | 94.6 | Very high | 83 Ų | 83 | 38.8 Ų | 38.8 | 69% | 0.686 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -86 | -7.1 | 178 | 0 | 0 | 0 | 0 | 0 | 114 | E98 D99 I100 | E98-A102 PolarHBondContact O-N 2.91Å; E98-A102 VanDerWaalsContact O-N 3.11Å; D99-A102 CarbonylContact O-C 3.42Å; D99-A102 PolarHBondContact O-N 2.88Å; I100-A102 PolarHBondContact O-N 3.21Å |
| 103 | R | 90.9 | Very high | 94.8 | Very high | 73 Ų | 73 | 38.5 Ų | 38.5 | 28% | 0.275 | 21% | 0.214 | S | C | . | . | trans | -77.5 | 139.1 | 179.6 | -70.2 | 173.8 | -168.2 | -169 | 6.7 | 111.4 | D99 I100 F105 | D99-R103 WeakPolarHBondContact O-CG 3.49Å; D99-R103 PolarHBondContact O-N 3.13Å; D99-R103 IonicContact OD2-CZ 3.22Å; D99-R103 VanDerWaalsContact OD2-CZ 3.22Å; D99-R103 IonicContact OD2-NE 2.86Å; D99-R103 PolarHBondContact OD2-NE 3.22Å; D99-R103 IonicContact OD2-NH2 2.72Å; D99-R103 PolarHBondContact OD2-NH2 2.82Å; I100-R103 PolarHBondContact O-N 3.21Å; R103-F105 WeakPolarHBondContact CB-O 3.33Å; R103-F105 PolarHBondContact O-N 3.44Å | ||
| 104 | E | 89.8 | Confident | 95 | Very high | 186 Ų | 186 | 37.9 Ų | 37.9 | 87% | 0.869 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -68.2 | -25.3 | 168.7 | -63.2 | -179.5 | 160.4 | 0 | 0 | 112.5 | ||
| 105 | F | 93.2 | Very high | 95.3 | Very high | 101 Ų | 101 | 35.9 Ų | 35.9 | 44% | 0.443 | 19% | 0.187 | S | C | . | . | trans | -139.3 | 133.1 | -177.9 | -174 | -86 | 0 | 0 | 0 | 110.9 | R103 L279 H281 | R103-F105 WeakPolarHBondContact CB-O 3.33Å; R103-F105 PolarHBondContact O-N 3.44Å; F105-L279 VanDerWaalsContact CZ-O 3.29Å; F105-L279 WeakPolarHBondContact CZ-O 3.43Å; F105-H281 HydrophobicContact CD2-CB 3.77Å; F105-H281 AromaticContact CD2-CG 3.84Å; F105-H281 AromaticContact CD2-ND1 3.87Å; F105-H281 HydrophobicContact CE2-CB 3.56Å; F105-H281 HydrophobicContact CZ-CB 4.38Å | ||
| 106 | Y | 96 | Very high | 95.5 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -148 | 137.2 | 176.2 | -176.4 | -109.9 | 0 | 0 | 0 | 110.1 | I100 D110 A111 L205 H281 R282 T285 V286 L289 | I100-Y106 HydrophobicContact CB-CE2 4.44Å; I100-Y106 HydrophobicContact CD1-CE2 3.85Å; I100-Y106 HydrophobicContact CG1-CD2 4.26Å; I100-Y106 HydrophobicContact CG1-CE2 3.88Å; I100-Y106 HydrophobicContact CG2-CD1 4.01Å; I100-Y106 HydrophobicContact CG2-CD2 3.63Å; I100-Y106 HydrophobicContact CG2-CE1 4.04Å; I100-Y106 HydrophobicContact CG2-CE2 3.68Å; I100-Y106 HydrophobicContact CG2-CG 3.79Å; Y106-D110 WeakPolarHBondContact CA-OD2 3.28Å; Y106-D110 HydrophobicContact CD2-CB 3.65Å; Y106-D110 HydrophobicContact CE2-CB 3.77Å; Y106-A111 VanDerWaalsContact OH-CB 3.28Å; Y106-A111 WeakPolarHBondContact OH-CB 3.4Å; Y106-L205 WeakPolarHBondContact CE1-O 3.5Å; Y106-L205 PolarHBondContact OH-O 3.07Å; Y106-H281 PolarHBondContact N-CE1 3.16Å; Y106-H281 PolarHBondContact N-ND1 2.89Å; Y106-H281 VanDerWaalsContact N-ND1 3.17Å; Y106-H281 WeakPolarHBondContact O-CA 3.37Å; Y106-H281 PolarHBondContact O-ND1 3.24Å; Y106-R282 PolarHBondContact O-N 2.68Å; Y106-T285 HydrophobicContact CD1-CG2 4.47Å; Y106-T285 HydrophobicContact CE1-CG2 4.16Å; Y106-V286 HydrophobicContact CD1-CG2 4.3Å; Y106-V286 HydrophobicContact CG-CG2 4.44Å; Y106-L289 HydrophobicContact CE1-CD1 4.46Å | ||
| 107 | S | 96.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.007 | 19% | 0.193 | C | C | . | . | trans | -141.8 | 174.6 | -173 | 66.5 | 0 | 0 | 0 | 0 | 111.7 | A109 D110 A111 S278 | S107-A109 VanDerWaalsContact C-N 3.26Å; S107-A109 PolarHBondContact O-N 3.21Å; S107-A109 PolarHBondContact OG-N 3.27Å; S107-D110 WeakPolarHBondContact CB-OD2 3.25Å; S107-D110 PolarHBondContact N-OD2 2.98Å; S107-D110 WeakPolarHBondContact O-CB 3.48Å; S107-D110 PolarHBondContact O-N 3.28Å; S107-D110 PolarHBondContact OG-N 3.41Å; S107-D110 PolarHBondContact OG-OD2 3.2Å; S107-A111 PolarHBondContact O-N 3.27Å; S107-S278 WeakPolarHBondContact CB-O 3.46Å | ||
| 108 | E | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.7 | -33 | 171.6 | -70.7 | -168.2 | -161 | 0 | 0 | 112.1 | D110 A111 S112 L206 V239 T240 W269 A277 S278 | E108-D110 VanDerWaalsContact C-N 3.27Å; E108-D110 PolarHBondContact O-N 3.33Å; E108-A111 PolarHBondContact O-N 3.3Å; E108-S112 VanDerWaalsContact O-CB 3.25Å; E108-S112 WeakPolarHBondContact O-CB 3.2Å; E108-S112 PolarHBondContact O-N 3.01Å; E108-L206 HydrophobicContact CG-CD2 3.94Å; E108-V239 VanDerWaalsContact OE1-CA 3.25Å; E108-V239 WeakPolarHBondContact OE1-CA 3.42Å; E108-T240 PolarHBondContact OE1-N 3.47Å; E108-T240 WeakPolarHBondContact OE2-CB 3.05Å; E108-T240 VanDerWaalsContact OE2-CG2 3.23Å; E108-T240 WeakPolarHBondContact OE2-CG2 3.18Å; E108-T240 PolarHBondContact OE2-OG1 3.13Å; E108-W269 HydrophobicContact CB-CZ2 4.1Å; E108-W269 WeakPolarHBondContact O-CZ2 3.33Å; E108-W269 PolarHBondContact OE2-NE1 3.34Å; E108-A277 HydrophobicContact CB-CB 4.11Å; E108-S278 PolarHBondContact N-O 3.44Å; E108-S278 VanDerWaalsContact N-O 3.13Å |
| 109 | A | 97.3 | Very high | 96 | Very high | 14 Ų | 14 | 34.5 Ų | 34.5 | 12% | 0.116 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.6 | -37.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | S107 N113 R273 A277 S278 L279 | S107-A109 VanDerWaalsContact C-N 3.26Å; S107-A109 PolarHBondContact O-N 3.21Å; S107-A109 PolarHBondContact OG-N 3.27Å; A109-N113 WeakPolarHBondContact O-CB 3.42Å; A109-N113 PolarHBondContact O-N 3.12Å; A109-R273 HydrophobicContact CB-CG 4.08Å; A109-R273 WeakPolarHBondContact O-CD 3.28Å; A109-A277 HydrophobicContact CB-CB 4.23Å; A109-S278 PolarHBondContact N-O 2.85Å; A109-L279 HydrophobicContact CB-CD2 3.67Å |
| 110 | D | 96.7 | Very high | 96.2 | Very high | 44 Ų | 44 | 35 Ų | 35 | 24% | 0.235 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.4 | -45.9 | 173.4 | -62.3 | -62.2 | 0 | 0 | 0 | 111.5 | Y106 S107 E108 S112 N113 C114 | Y106-D110 WeakPolarHBondContact CA-OD2 3.28Å; Y106-D110 HydrophobicContact CD2-CB 3.65Å; Y106-D110 HydrophobicContact CE2-CB 3.77Å; S107-D110 WeakPolarHBondContact CB-OD2 3.25Å; S107-D110 PolarHBondContact N-OD2 2.98Å; S107-D110 WeakPolarHBondContact O-CB 3.48Å; S107-D110 PolarHBondContact O-N 3.28Å; S107-D110 PolarHBondContact OG-N 3.41Å; S107-D110 PolarHBondContact OG-OD2 3.2Å; E108-D110 VanDerWaalsContact C-N 3.27Å; E108-D110 PolarHBondContact O-N 3.33Å; D110-S112 VanDerWaalsContact C-N 3.33Å; D110-S112 PolarHBondContact O-N 2.84Å; D110-N113 PolarHBondContact O-N 3.15Å; D110-C114 PolarHBondContact O-N 3.45Å; D110-C114 PolarHBondContact O-SG 3.46Å |
| 111 | A | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.9 | -44.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y106 S107 E108 C114 M115 L205 L206 W269 | Y106-A111 VanDerWaalsContact OH-CB 3.28Å; Y106-A111 WeakPolarHBondContact OH-CB 3.4Å; S107-A111 PolarHBondContact O-N 3.27Å; E108-A111 PolarHBondContact O-N 3.3Å; A111-C114 PolarHBondContact O-N 2.77Å; A111-M115 WeakPolarHBondContact O-CB 3.39Å; A111-M115 WeakPolarHBondContact O-CG 3.34Å; A111-M115 PolarHBondContact O-N 3.12Å; A111-L205 HydrophobicContact CB-CB 4.42Å; A111-L206 HydrophobicContact CB-CD2 4.04Å; A111-W269 HydrophobicContact CB-CH2 3.98Å; A111-W269 HydrophobicContact CB-CZ2 4.32Å |
| 112 | S | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.6 | -42.4 | 177.7 | 167.9 | 0 | 0 | 0 | 0 | 111.7 | E108 D110 C114 M115 Q116 W269 R273 | E108-S112 VanDerWaalsContact O-CB 3.25Å; E108-S112 WeakPolarHBondContact O-CB 3.2Å; E108-S112 PolarHBondContact O-N 3.01Å; D110-S112 VanDerWaalsContact C-N 3.33Å; D110-S112 PolarHBondContact O-N 2.84Å; S112-C114 PolarHBondContact O-N 3.23Å; S112-M115 PolarHBondContact O-N 3.17Å; S112-Q116 WeakPolarHBondContact O-CB 3.08Å; S112-Q116 PolarHBondContact O-N 2.82Å; S112-W269 VanDerWaalsContact CA-CZ3 3.44Å; S112-W269 WeakPolarHBondContact CB-O 3.42Å; S112-W269 VanDerWaalsContact N-CH2 3.33Å; S112-W269 PolarHBondContact OG-O 3.19Å; S112-R273 WeakPolarHBondContact OG-CD 3.35Å |
| 113 | N | 97.7 | Very high | 97.1 | Very high | 65 Ų | 65 | 30.7 Ų | 30.7 | 35% | 0.348 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -64.3 | -37.4 | 174.2 | -178.3 | 61 | 0 | 0 | 0 | 112.9 | A109 D110 Q117 | A109-N113 WeakPolarHBondContact O-CB 3.42Å; A109-N113 PolarHBondContact O-N 3.12Å; D110-N113 PolarHBondContact O-N 3.15Å; N113-Q117 PolarHBondContact O-NE2 3.21Å |
| 114 | C | 98 | Very high | 97.5 | Very high | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.02 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.2 | -46.9 | 174.2 | -62.2 | 0 | 0 | 0 | 0 | 110.9 | L96 D110 A111 S112 Q116 Q117 I118 | L96-C114 HydrophobicContact CD1-CB 4.48Å; L96-C114 HydrophobicContact CD2-CB 4.17Å; D110-C114 PolarHBondContact O-N 3.45Å; D110-C114 PolarHBondContact O-SG 3.46Å; A111-C114 PolarHBondContact O-N 2.77Å; S112-C114 PolarHBondContact O-N 3.23Å; C114-Q116 VanDerWaalsContact C-N 3.35Å; C114-Q116 PolarHBondContact O-N 2.86Å; C114-Q117 PolarHBondContact O-N 3.49Å; C114-I118 VanDerWaalsContact O-CG1 3.31Å; C114-I118 WeakPolarHBondContact O-CG1 3.4Å; C114-I118 PolarHBondContact O-N 3.22Å; C114-I118 VanDerWaalsContact O-N 3.1Å |
| 115 | M | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.2 | -37.4 | 179.4 | -78.4 | -57.6 | -55 | 0 | 0 | 112.9 | A111 S112 Q117 I118 I119 C198 I201 L202 L205 M250 W269 I270 | A111-M115 WeakPolarHBondContact O-CB 3.39Å; A111-M115 WeakPolarHBondContact O-CG 3.34Å; A111-M115 PolarHBondContact O-N 3.12Å; S112-M115 PolarHBondContact O-N 3.17Å; M115-Q117 VanDerWaalsContact C-N 3.33Å; M115-Q117 PolarHBondContact O-N 3.43Å; M115-I118 PolarHBondContact O-N 3.23Å; M115-I118 HydrophobicContact SD-CD1 3.92Å; M115-I119 HydrophobicContact CB-CD1 4.35Å; M115-I119 HydrophobicContact CE-CD1 4.04Å; M115-I119 HydrophobicContact CE-CG1 4.01Å; M115-I119 WeakPolarHBondContact O-CB 3.49Å; M115-I119 WeakPolarHBondContact O-CD1 3.49Å; M115-I119 WeakPolarHBondContact O-CG1 3.38Å; M115-I119 PolarHBondContact O-N 3.19Å; M115-C198 HydrophobicContact CE-CB 4.01Å; M115-C198 WeakPolarHBondContact CE-O 3.34Å; M115-I201 HydrophobicContact SD-CG2 3.89Å; M115-L202 HydrophobicContact CE-CB 3.94Å; M115-L202 HydrophobicContact CG-CB 4.19Å; M115-L202 HydrophobicContact CG-CD1 3.88Å; M115-L202 HydrophobicContact SD-CB 3.97Å; M115-L205 HydrophobicContact CG-CD1 3.79Å; M115-L205 HydrophobicContact SD-CD1 3.64Å; M115-M250 HydrophobicContact CE-CE 4.5Å; M115-W269 HydrophobicContact CB-CZ3 4.3Å; M115-W269 HydrophobicContact CG-CZ3 4.46Å; M115-I270 HydrophobicContact CB-CD1 4.07Å |
| 116 | Q | 98.7 | Very high | 98.1 | Very high | 45 Ų | 45 | 16.8 Ų | 16.8 | 21% | 0.21 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -52.9 | -52.5 | 173.3 | 179.9 | 173.4 | 13.7 | 0 | 0 | 111 | S112 C114 I118 I119 E120 L265 I270 | S112-Q116 WeakPolarHBondContact O-CB 3.08Å; S112-Q116 PolarHBondContact O-N 2.82Å; C114-Q116 VanDerWaalsContact C-N 3.35Å; C114-Q116 PolarHBondContact O-N 2.86Å; Q116-I118 VanDerWaalsContact C-N 3.34Å; Q116-I118 PolarHBondContact O-N 3.35Å; Q116-I119 PolarHBondContact O-N 3.41Å; Q116-E120 HydrophobicContact CG-CG 4.45Å; Q116-E120 VanDerWaalsContact CG-OE1 3.3Å; Q116-E120 WeakPolarHBondContact CG-OE1 3.15Å; Q116-E120 PolarHBondContact NE2-OE1 2.76Å; Q116-E120 VanDerWaalsContact NE2-OE1 3.16Å; Q116-E120 WeakPolarHBondContact O-CB 3.24Å; Q116-E120 VanDerWaalsContact O-CG 3.27Å; Q116-E120 WeakPolarHBondContact O-CG 3.4Å; Q116-E120 PolarHBondContact O-N 3.05Å; Q116-L265 HydrophobicContact CG-CD2 4.42Å; Q116-I270 HydrophobicContact CB-CG2 3.98Å; Q116-I270 HydrophobicContact CG-CG2 4.03Å |
| 117 | Q | 98.6 | Very high | 98.2 | Very high | 27 Ų | 27 | 22.8 Ų | 22.8 | 13% | 0.126 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.2 | -38.7 | 179.9 | -70.6 | 177.9 | 75.9 | 0 | 0 | 112.9 | N70 N113 C114 M115 S121 V151 | N70-Q117 WeakPolarHBondContact CB-O 3.43Å; N70-Q117 WeakPolarHBondContact ND2-CB 3.23Å; N70-Q117 PolarHBondContact ND2-OE1 3.17Å; N70-Q117 VanDerWaalsContact ND2-OE1 3.12Å; N113-Q117 PolarHBondContact O-NE2 3.21Å; C114-Q117 PolarHBondContact O-N 3.49Å; M115-Q117 VanDerWaalsContact C-N 3.33Å; M115-Q117 PolarHBondContact O-N 3.43Å; Q117-S121 PolarHBondContact O-N 3.28Å; Q117-S121 VanDerWaalsContact O-N 3.09Å; Q117-V151 HydrophobicContact CB-CB 4.01Å; Q117-V151 HydrophobicContact CB-CG2 4.39Å |
| 118 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.2 | -50.1 | 175.5 | -64.6 | 165.9 | 0 | 0 | 0 | 109.7 | L96 C114 M115 Q116 E120 S121 V122 L135 L140 V151 I201 | L96-I118 HydrophobicContact CD2-CD1 4.08Å; C114-I118 VanDerWaalsContact O-CG1 3.31Å; C114-I118 WeakPolarHBondContact O-CG1 3.4Å; C114-I118 PolarHBondContact O-N 3.22Å; C114-I118 VanDerWaalsContact O-N 3.1Å; M115-I118 PolarHBondContact O-N 3.23Å; M115-I118 HydrophobicContact SD-CD1 3.92Å; Q116-I118 VanDerWaalsContact C-N 3.34Å; Q116-I118 PolarHBondContact O-N 3.35Å; I118-E120 VanDerWaalsContact C-N 3.33Å; I118-E120 PolarHBondContact O-N 3.26Å; I118-S121 WeakPolarHBondContact O-CB 3.49Å; I118-S121 PolarHBondContact O-N 3.06Å; I118-S121 PolarHBondContact O-OG 2.84Å; I118-V122 WeakPolarHBondContact O-CG2 3.35Å; I118-V122 PolarHBondContact O-N 3.48Å; I118-L135 HydrophobicContact CG2-CD2 4.16Å; I118-L140 HydrophobicContact CD1-CD1 3.7Å; I118-L140 HydrophobicContact CD1-CD2 4.16Å; I118-L140 HydrophobicContact CG1-CD1 4.39Å; I118-L140 HydrophobicContact CG1-CD2 3.9Å; I118-L140 HydrophobicContact CG2-CD2 4.31Å; I118-V151 HydrophobicContact CG1-CG1 3.98Å; I118-I201 HydrophobicContact CD1-CG2 4.21Å |
| 119 | I | 98.8 | Very high | 98.1 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.6 | -35 | -178.3 | -58.6 | 158.4 | 0 | 0 | 0 | 110.8 | M115 Q116 S121 V122 N123 M250 A261 A264 L265 I270 | M115-I119 HydrophobicContact CB-CD1 4.35Å; M115-I119 HydrophobicContact CE-CD1 4.04Å; M115-I119 HydrophobicContact CE-CG1 4.01Å; M115-I119 WeakPolarHBondContact O-CB 3.49Å; M115-I119 WeakPolarHBondContact O-CD1 3.49Å; M115-I119 WeakPolarHBondContact O-CG1 3.38Å; M115-I119 PolarHBondContact O-N 3.19Å; Q116-I119 PolarHBondContact O-N 3.41Å; I119-S121 VanDerWaalsContact C-N 3.34Å; I119-S121 PolarHBondContact O-N 3.39Å; I119-V122 PolarHBondContact O-N 3.41Å; I119-N123 WeakPolarHBondContact O-CB 3.5Å; I119-N123 PolarHBondContact O-N 3.11Å; I119-M250 HydrophobicContact CD1-CE 3.63Å; I119-M250 HydrophobicContact CG1-CE 4.16Å; I119-A261 HydrophobicContact CG2-CB 4.02Å; I119-A261 VanDerWaalsContact CG2-O 3.31Å; I119-A261 WeakPolarHBondContact CG2-O 3.25Å; I119-A264 HydrophobicContact CD1-CB 4.34Å; I119-A264 HydrophobicContact CG2-CB 4.14Å; I119-L265 HydrophobicContact CB-CD2 3.77Å; I119-L265 HydrophobicContact CB-CG 4.27Å; I119-L265 HydrophobicContact CG2-CD1 4.32Å; I119-L265 HydrophobicContact CG2-CD2 3.69Å; I119-L265 HydrophobicContact CG2-CG 3.6Å; I119-I270 HydrophobicContact CD1-CD1 4.11Å; I119-I270 HydrophobicContact CD1-CG1 4.36Å |
| 120 | E | 98.8 | Very high | 98.1 | Very high | 57 Ų | 57 | 28 Ų | 28 | 27% | 0.266 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -59.5 | -44.8 | 172.8 | -77.7 | 168 | 179.2 | 0 | 0 | 111.1 | Q116 I118 N123 Y124 L265 | Q116-E120 HydrophobicContact CG-CG 4.45Å; Q116-E120 VanDerWaalsContact CG-OE1 3.3Å; Q116-E120 WeakPolarHBondContact CG-OE1 3.15Å; Q116-E120 PolarHBondContact NE2-OE1 2.76Å; Q116-E120 VanDerWaalsContact NE2-OE1 3.16Å; Q116-E120 WeakPolarHBondContact O-CB 3.24Å; Q116-E120 VanDerWaalsContact O-CG 3.27Å; Q116-E120 WeakPolarHBondContact O-CG 3.4Å; Q116-E120 PolarHBondContact O-N 3.05Å; I118-E120 VanDerWaalsContact C-N 3.33Å; I118-E120 PolarHBondContact O-N 3.26Å; E120-N123 PolarHBondContact O-N 2.99Å; E120-Y124 WeakPolarHBondContact O-CB 3.18Å; E120-Y124 PolarHBondContact O-N 3.36Å; E120-L265 HydrophobicContact CG-CD1 4.11Å; E120-L265 HydrophobicContact CG-CD2 3.72Å |
| 121 | S | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.007 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.3 | -43.1 | 174.9 | 78.5 | 0 | 0 | 0 | 0 | 112.6 | N70 Q117 I118 I119 Y124 C125 | N70-S121 VanDerWaalsContact O-CB 3.31Å; N70-S121 WeakPolarHBondContact O-CB 3.49Å; Q117-S121 PolarHBondContact O-N 3.28Å; Q117-S121 VanDerWaalsContact O-N 3.09Å; I118-S121 WeakPolarHBondContact O-CB 3.49Å; I118-S121 PolarHBondContact O-N 3.06Å; I118-S121 PolarHBondContact O-OG 2.84Å; I119-S121 VanDerWaalsContact C-N 3.34Å; I119-S121 PolarHBondContact O-N 3.39Å; S121-Y124 PolarHBondContact O-N 2.85Å; S121-C125 PolarHBondContact O-N 3.12Å; S121-C125 PolarHBondContact O-SG 2.99Å |
| 122 | V | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.4 | -44.8 | 179.1 | 171.9 | 0 | 0 | 0 | 0 | 111 | I118 I119 Y124 C125 H126 L135 D194 A261 | I118-V122 WeakPolarHBondContact O-CG2 3.35Å; I118-V122 PolarHBondContact O-N 3.48Å; I119-V122 PolarHBondContact O-N 3.41Å; V122-Y124 VanDerWaalsContact C-N 3.3Å; V122-Y124 PolarHBondContact O-N 3.12Å; V122-C125 WeakPolarHBondContact O-CB 3.4Å; V122-C125 PolarHBondContact O-N 3.25Å; V122-H126 WeakPolarHBondContact CG1-CE1 3.5Å; V122-H126 WeakPolarHBondContact CG1-NE2 3.33Å; V122-H126 WeakPolarHBondContact O-CB 3.49Å; V122-H126 PolarHBondContact O-CD2 3.29Å; V122-H126 VanDerWaalsContact O-CD2 3.31Å; V122-H126 VanDerWaalsContact O-CG 3.27Å; V122-H126 PolarHBondContact O-N 2.77Å; V122-L135 HydrophobicContact CG2-CD1 4.3Å; V122-L135 HydrophobicContact CG2-CD2 3.46Å; V122-L135 VanDerWaalsContact CG2-CD2 3.46Å; V122-L135 HydrophobicContact CG2-CG 4.47Å; V122-D194 HydrophobicContact CG1-CB 3.86Å; V122-A261 HydrophobicContact CG1-CB 4.11Å |
| 123 | N | 98.7 | Very high | 98 | Very high | 25 Ų | 25 | 27 Ų | 27 | 13% | 0.134 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.2 | -42.2 | 176.7 | -179.9 | 62.8 | 0 | 0 | 0 | 110.9 | I119 E120 H126 Q127 A261 A262 L265 | I119-N123 WeakPolarHBondContact O-CB 3.5Å; I119-N123 PolarHBondContact O-N 3.11Å; E120-N123 PolarHBondContact O-N 2.99Å; N123-H126 PolarHBondContact O-N 2.9Å; N123-Q127 PolarHBondContact ND2-NE2 3.38Å; N123-Q127 WeakPolarHBondContact O-CB 3.4Å; N123-Q127 VanDerWaalsContact O-CG 3.3Å; N123-Q127 WeakPolarHBondContact O-CG 3.46Å; N123-Q127 PolarHBondContact O-N 3.15Å; N123-A261 HydrophobicContact CB-CB 3.8Å; N123-A262 WeakPolarHBondContact OD1-CB 3.22Å; N123-A262 PolarHBondContact OD1-N 3.04Å; N123-L265 HydrophobicContact CB-CD1 4.01Å |
| 124 | Y | 98.6 | Very high | 97.9 | Very high | 51 Ų | 51 | 24.5 Ų | 24.5 | 20% | 0.2 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.9 | -43.5 | 175.1 | -177.4 | -90.7 | 0 | 0 | 0 | 112 | L66 K67 H68 I71 E120 S121 V122 H126 Q127 N128 | L66-Y124 HydrophobicContact CD2-CD1 3.95Å; L66-Y124 HydrophobicContact CD2-CE1 3.74Å; K67-Y124 PolarHBondContact N-OH 2.81Å; K67-Y124 PolarHBondContact O-OH 2.87Å; H68-Y124 HydrophobicContact CB-CD1 3.78Å; H68-Y124 HydrophobicContact CB-CD2 4.35Å; H68-Y124 HydrophobicContact CB-CE1 4.08Å; H68-Y124 HydrophobicContact CB-CG 3.94Å; H68-Y124 AromaticContact CD2-CD2 3.61Å; H68-Y124 AromaticContact CD2-CG 3.62Å; H68-Y124 AromaticContact CG-CG 3.92Å; I71-Y124 HydrophobicContact CD1-CD1 3.81Å; E120-Y124 WeakPolarHBondContact O-CB 3.18Å; E120-Y124 PolarHBondContact O-N 3.36Å; S121-Y124 PolarHBondContact O-N 2.85Å; V122-Y124 VanDerWaalsContact C-N 3.3Å; V122-Y124 PolarHBondContact O-N 3.12Å; Y124-H126 PolarHBondContact O-N 3.45Å; Y124-Q127 PolarHBondContact O-N 3.07Å; Y124-N128 WeakPolarHBondContact CE1-ND2 3.45Å; Y124-N128 PolarHBondContact O-N 3.23Å; Y124-N128 PolarHBondContact O-ND2 2.86Å |
| 125 | C | 98.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.007 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57.9 | -47.9 | 172.3 | -68 | 0 | 0 | 0 | 0 | 111.3 | S121 V122 Q127 N128 N129 I130 | S121-C125 PolarHBondContact O-N 3.12Å; S121-C125 PolarHBondContact O-SG 2.99Å; V122-C125 WeakPolarHBondContact O-CB 3.4Å; V122-C125 PolarHBondContact O-N 3.25Å; C125-Q127 VanDerWaalsContact C-N 3.35Å; C125-Q127 PolarHBondContact O-N 3.35Å; C125-N128 CarbonylContact O-C 3.58Å; C125-N128 VanDerWaalsContact O-C 3.32Å; C125-N128 WeakPolarHBondContact O-CA 3Å; C125-N128 PolarHBondContact O-N 3.01Å; C125-N129 PolarHBondContact O-N 2.87Å; C125-I130 CarbonylContact C-O 3.47Å; C125-I130 VanDerWaalsContact C-O 3.3Å; C125-I130 HydrophobicContact CB-CB 4.25Å; C125-I130 HydrophobicContact CB-CG2 4.3Å; C125-I130 PolarHBondContact O-N 2.84Å |
| 126 | H | 98 | Very high | 97.8 | Very high | 15 Ų | 15 | 26 Ų | 26 | 7% | 0.069 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.6 | -37.5 | -178.3 | -71.5 | -175.6 | 0 | 0 | 0 | 112.8 | V122 N123 Y124 N128 N129 I130 K191 D194 | V122-H126 WeakPolarHBondContact CG1-CE1 3.5Å; V122-H126 WeakPolarHBondContact CG1-NE2 3.33Å; V122-H126 WeakPolarHBondContact O-CB 3.49Å; V122-H126 PolarHBondContact O-CD2 3.29Å; V122-H126 VanDerWaalsContact O-CD2 3.31Å; V122-H126 VanDerWaalsContact O-CG 3.27Å; V122-H126 PolarHBondContact O-N 2.77Å; N123-H126 PolarHBondContact O-N 2.9Å; Y124-H126 PolarHBondContact O-N 3.45Å; H126-N128 VanDerWaalsContact C-N 3.26Å; H126-N128 PolarHBondContact O-N 3.31Å; H126-N129 PolarHBondContact O-N 2.72Å; H126-N129 VanDerWaalsContact O-N 3.07Å; H126-I130 PolarHBondContact CD2-O 2.93Å; H126-K191 HydrophobicContact CB-CD 3.96Å; H126-K191 HydrophobicContact CB-CG 4.26Å; H126-K191 PolarHBondContact CE1-O 3.46Å; H126-K191 PolarHBondContact NE2-O 3.08Å; H126-K191 WeakPolarHBondContact O-CE 3.13Å; H126-K191 PolarHBondContact O-NZ 2.99Å; H126-D194 IonicContact CD2-OD2 3.88Å; H126-D194 IonicContact NE2-OD2 2.67Å; H126-D194 PolarHBondContact NE2-OD2 3.4Å |
| 127 | Q | 97.2 | Very high | 97.6 | Very high | 127 Ų | 127 | 23.9 Ų | 23.9 | 59% | 0.593 | 11% | 0.114 | S | C | * | . | H | α-helix | trans | -64.4 | -31.7 | 173 | -74.6 | 175.4 | -11.2 | 0 | 0 | 112.3 | N123 Y124 C125 N129 | N123-Q127 PolarHBondContact ND2-NE2 3.38Å; N123-Q127 WeakPolarHBondContact O-CB 3.4Å; N123-Q127 VanDerWaalsContact O-CG 3.3Å; N123-Q127 WeakPolarHBondContact O-CG 3.46Å; N123-Q127 PolarHBondContact O-N 3.15Å; Y124-Q127 PolarHBondContact O-N 3.07Å; C125-Q127 VanDerWaalsContact C-N 3.35Å; C125-Q127 PolarHBondContact O-N 3.35Å; Q127-N129 VanDerWaalsContact C-N 3.25Å; Q127-N129 PolarHBondContact O-N 2.68Å |
| 128 | N | 96.9 | Very high | 97.3 | Very high | 62 Ų | 62 | 25.3 Ų | 25.3 | 33% | 0.332 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 15.3 | 173.5 | -71.4 | -84.1 | 0 | 0 | 0 | 112.9 | L66 Y124 C125 H126 I130 | L66-N128 HydrophobicContact CD2-CB 4.49Å; Y124-N128 WeakPolarHBondContact CE1-ND2 3.45Å; Y124-N128 PolarHBondContact O-N 3.23Å; Y124-N128 PolarHBondContact O-ND2 2.86Å; C125-N128 CarbonylContact O-C 3.58Å; C125-N128 VanDerWaalsContact O-C 3.32Å; C125-N128 WeakPolarHBondContact O-CA 3Å; C125-N128 PolarHBondContact O-N 3.01Å; H126-N128 VanDerWaalsContact C-N 3.26Å; H126-N128 PolarHBondContact O-N 3.31Å; N128-I130 HydrophobicContact CB-CD1 3.99Å; N128-I130 PolarHBondContact O-N 3.31Å |
| 129 | N | 96.8 | Very high | 97.1 | Very high | 61 Ų | 61 | 25.8 Ų | 25.8 | 33% | 0.326 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 36.8 | -178 | -59.9 | -54.1 | 0 | 0 | 0 | 114.2 | C125 H126 Q127 E161 V162 K191 | C125-N129 PolarHBondContact O-N 2.87Å; H126-N129 PolarHBondContact O-N 2.72Å; H126-N129 VanDerWaalsContact O-N 3.07Å; Q127-N129 VanDerWaalsContact C-N 3.25Å; Q127-N129 PolarHBondContact O-N 2.68Å; N129-E161 CarbonylContact O-C 3.57Å; N129-E161 WeakPolarHBondContact O-CA 3.47Å; N129-V162 HydrophobicContact CB-CG2 4.09Å; N129-V162 VanDerWaalsContact CB-O 3.25Å; N129-V162 WeakPolarHBondContact CB-O 3.49Å; N129-V162 WeakPolarHBondContact O-CG2 3.46Å; N129-V162 PolarHBondContact O-N 2.95Å; N129-K191 PolarHBondContact OD1-NZ 3.44Å |
| 130 | I | 97.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 135.2 | 175.5 | -68.6 | 154.9 | 0 | 0 | 0 | 108.4 | I62 L65 L66 C125 H126 N128 F156 A159 I160 | I62-I130 HydrophobicContact CG2-CD1 3.96Å; I62-I130 HydrophobicContact CG2-CG1 4.15Å; I62-I130 HydrophobicContact CG2-CG2 3.74Å; L65-I130 HydrophobicContact CB-CD1 4.42Å; L65-I130 HydrophobicContact CD1-CD1 4.48Å; L66-I130 HydrophobicContact CD1-CD1 4.22Å; L66-I130 HydrophobicContact CD2-CD1 3.5Å; L66-I130 HydrophobicContact CG-CD1 3.85Å; C125-I130 CarbonylContact C-O 3.47Å; C125-I130 VanDerWaalsContact C-O 3.3Å; C125-I130 HydrophobicContact CB-CB 4.25Å; C125-I130 HydrophobicContact CB-CG2 4.3Å; C125-I130 PolarHBondContact O-N 2.84Å; H126-I130 PolarHBondContact CD2-O 2.93Å; N128-I130 HydrophobicContact CB-CD1 3.99Å; N128-I130 PolarHBondContact O-N 3.31Å; I130-F156 HydrophobicContact CG2-CD1 4.4Å; I130-F156 HydrophobicContact CG2-CE1 4.4Å; I130-A159 HydrophobicContact CG2-CB 4.34Å; I130-I160 WeakPolarHBondContact CA-O 3.48Å |
| 131 | V | 97.3 | Very high | 97 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 126.8 | 171.8 | -174.9 | 0 | 0 | 0 | 0 | 107.8 | R133 A159 I160 V162 K191 V193 D194 | V131-R133 HydrophobicContact CB-CG 4.35Å; V131-R133 HydrophobicContact CG1-CG 3.71Å; V131-A159 VanDerWaalsContact O-CA 3.23Å; V131-A159 WeakPolarHBondContact O-CA 3.13Å; V131-I160 HydrophobicContact CB-CD1 4.38Å; V131-I160 HydrophobicContact CB-CG1 4.01Å; V131-I160 PolarHBondContact N-O 3.19Å; V131-I160 PolarHBondContact O-N 2.93Å; V131-V162 HydrophobicContact CB-CG1 4.37Å; V131-V162 HydrophobicContact CG2-CB 4.47Å; V131-V162 HydrophobicContact CG2-CG1 3.5Å; V131-V162 HydrophobicContact CG2-CG2 4.06Å; V131-K191 HydrophobicContact CG2-CB 4.37Å; V131-K191 HydrophobicContact CG2-CG 3.85Å; V131-V193 HydrophobicContact CG1-CG2 3.58Å; V131-D194 WeakPolarHBondContact CA-OD2 3.04Å; V131-D194 WeakPolarHBondContact CG1-OD2 3.23Å |
| 132 | H | 97.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | trans | -77.9 | -43.4 | -172 | -175.6 | -57.4 | 0 | 0 | 0 | 112.4 | D134 L135 A154 D155 F156 L158 D194 | H132-D134 PolarHBondContact CE1-O 3.36Å; H132-D134 PolarHBondContact ND1-N 3.08Å; H132-D134 VanDerWaalsContact ND1-N 3.15Å; H132-D134 PolarHBondContact O-N 3.33Å; H132-D134 VanDerWaalsContact O-N 3.16Å; H132-L135 HydrophobicContact CB-CD1 3.72Å; H132-A154 PolarHBondContact NE2-O 3.2Å; H132-A154 VanDerWaalsContact NE2-O 3.13Å; H132-D155 PolarHBondContact CE1-O 3.1Å; H132-D155 PolarHBondContact NE2-O 3.23Å; H132-F156 AromaticContact CD2-CD1 3.98Å; H132-F156 AromaticContact CD2-CE1 3.69Å; H132-F156 AromaticContact CD2-CZ 3.77Å; H132-L158 CarbonylContact O-C 3.54Å; H132-D194 PolarHBondContact N-OD1 2.89Å; H132-D194 PolarHBondContact N-OD2 2.8Å | ||
| 133 | R | 96.4 | Very high | 96.8 | Very high | 23 Ų | 23 | 26.1 Ų | 26.1 | 9% | 0.087 | 13% | 0.13 | C | C | . | . | trans | 63.4 | 9 | 177.6 | -50.6 | -167.5 | -61 | 173.4 | -1.4 | 117.2 | V131 L158 I160 Y189 V193 D194 | V131-R133 HydrophobicContact CB-CG 4.35Å; V131-R133 HydrophobicContact CG1-CG 3.71Å; R133-L158 VanDerWaalsContact CZ-O 3.23Å; R133-L158 PolarHBondContact NE-O 3.41Å; R133-L158 PolarHBondContact NH2-O 2.84Å; R133-I160 HydrophobicContact CG-CG1 4.31Å; R133-I160 VanDerWaalsContact NH2-CG2 3.29Å; R133-Y189 HydrophobicContact CG-CE2 4.49Å; R133-Y189 PolarHBondContact NH1-OH 2.9Å; R133-V193 HydrophobicContact CG-CG2 4.37Å; R133-D194 PolarHBondContact N-OD1 3.32Å | ||
| 134 | D | 95.7 | Very high | 96.7 | Very high | 12 Ų | 12 | 26.6 Ų | 26.6 | 6% | 0.064 | 14% | 0.136 | C | C | . | . | trans | -148.6 | 40.3 | 179.3 | -159.6 | 36.3 | 0 | 0 | 0 | 111.4 | H132 K136 N139 L158 T175 | H132-D134 PolarHBondContact CE1-O 3.36Å; H132-D134 PolarHBondContact ND1-N 3.08Å; H132-D134 VanDerWaalsContact ND1-N 3.15Å; H132-D134 PolarHBondContact O-N 3.33Å; H132-D134 VanDerWaalsContact O-N 3.16Å; D134-K136 VanDerWaalsContact CG-NZ 3.33Å; D134-K136 PolarHBondContact O-N 2.94Å; D134-K136 IonicContact OD1-NZ 3.56Å; D134-K136 PolarHBondContact OD1-NZ 3.4Å; D134-K136 WeakPolarHBondContact OD2-CE 3.43Å; D134-K136 IonicContact OD2-NZ 2.85Å; D134-K136 PolarHBondContact OD2-NZ 3.16Å; D134-N139 PolarHBondContact O-ND2 3.15Å; D134-N139 PolarHBondContact OD2-ND2 3.02Å; D134-L158 HydrophobicContact CB-CB 4.24Å; D134-L158 HydrophobicContact CB-CD1 3.77Å; D134-L158 HydrophobicContact CB-CG 4.35Å; D134-T175 PolarHBondContact OD1-OG1 2.93Å; D134-T175 VanDerWaalsContact OD1-OG1 3.06Å | ||
| 135 | L | 98 | Very high | 96.3 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | trans | -69.2 | 123.6 | 169.7 | -79.7 | 102.4 | 0 | 0 | 0 | 109.8 | I118 V122 H132 L153 D194 A197 I201 | I118-L135 HydrophobicContact CG2-CD2 4.16Å; V122-L135 HydrophobicContact CG2-CD1 4.3Å; V122-L135 HydrophobicContact CG2-CD2 3.46Å; V122-L135 VanDerWaalsContact CG2-CD2 3.46Å; V122-L135 HydrophobicContact CG2-CG 4.47Å; H132-L135 HydrophobicContact CB-CD1 3.72Å; L135-L153 HydrophobicContact CD2-CD1 4.43Å; L135-L153 HydrophobicContact CG-CD1 4.32Å; L135-D194 HydrophobicContact CD1-CB 3.61Å; L135-D194 WeakPolarHBondContact CD1-OD1 3.33Å; L135-A197 HydrophobicContact CB-CB 3.73Å; L135-I201 HydrophobicContact CB-CD1 3.97Å; L135-I201 HydrophobicContact CD2-CD1 4.47Å | ||
| 136 | K | 95.7 | Very high | 95.9 | Very high | 33 Ų | 33 | 36 Ų | 36 | 14% | 0.143 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -165.1 | 162.9 | -179.3 | 61.9 | -170.9 | -174.8 | -152.7 | 0 | 109.5 | D134 E138 N139 T175 Y178 | D134-K136 VanDerWaalsContact CG-NZ 3.33Å; D134-K136 PolarHBondContact O-N 2.94Å; D134-K136 IonicContact OD1-NZ 3.56Å; D134-K136 PolarHBondContact OD1-NZ 3.4Å; D134-K136 WeakPolarHBondContact OD2-CE 3.43Å; D134-K136 IonicContact OD2-NZ 2.85Å; D134-K136 PolarHBondContact OD2-NZ 3.16Å; K136-E138 VanDerWaalsContact C-N 3.25Å; K136-E138 WeakPolarHBondContact CB-OE2 3.43Å; K136-E138 HydrophobicContact CD-CB 4.47Å; K136-E138 WeakPolarHBondContact CD-OE2 3.45Å; K136-E138 HydrophobicContact CG-CB 4.21Å; K136-E138 WeakPolarHBondContact CG-OE2 3.34Å; K136-E138 PolarHBondContact O-N 3.25Å; K136-E138 VanDerWaalsContact O-N 3.16Å; K136-N139 HydrophobicContact CG-CB 4.29Å; K136-N139 PolarHBondContact O-N 3.12Å; K136-T175 VanDerWaalsContact CD-OG1 3.3Å; K136-T175 WeakPolarHBondContact CD-OG1 3.2Å; K136-T175 PolarHBondContact NZ-OG1 3.22Å; K136-Y178 HydrophobicContact CB-CD2 4.03Å; K136-Y178 HydrophobicContact CB-CE1 4.42Å; K136-Y178 HydrophobicContact CB-CE2 3.91Å; K136-Y178 HydrophobicContact CB-CG 4.34Å |
| 137 | P | 95.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -50.1 | -38.9 | -179.5 | -31.8 | 38.3 | 0 | 0 | 0 | 115.2 | F97 N139 L140 Y178 F292 | F97-P137 HydrophobicContact CB-CB 4.44Å; F97-P137 HydrophobicContact CD1-CB 4.3Å; F97-P137 HydrophobicContact CD1-CG 4.32Å; F97-P137 HydrophobicContact CD2-CB 3.55Å; F97-P137 HydrophobicContact CD2-CG 4.06Å; F97-P137 HydrophobicContact CE1-CG 4.12Å; F97-P137 HydrophobicContact CE2-CB 3.8Å; F97-P137 HydrophobicContact CE2-CG 3.83Å; F97-P137 HydrophobicContact CG-CB 3.84Å; F97-P137 HydrophobicContact CG-CG 4.31Å; F97-P137 HydrophobicContact CZ-CB 4.29Å; F97-P137 HydrophobicContact CZ-CG 3.87Å; P137-N139 PolarHBondContact O-N 3.09Å; P137-L140 PolarHBondContact O-N 3.22Å; P137-L140 VanDerWaalsContact O-N 3.16Å; P137-Y178 VanDerWaalsContact CD-CZ 3.43Å; P137-Y178 WeakPolarHBondContact CD-OH 2.87Å; P137-Y178 WeakPolarHBondContact CG-OH 3.44Å; P137-F292 HydrophobicContact CG-CE1 3.94Å; P137-F292 HydrophobicContact CG-CZ 4.02Å |
| 138 | E | 91.9 | Very high | 94.8 | Very high | 57 Ų | 57 | 43.2 Ų | 43.2 | 27% | 0.266 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -60 | -31.3 | 179.7 | -65.4 | 73.3 | -168.6 | 0 | 0 | 113 | K136 L140 R296 | K136-E138 VanDerWaalsContact C-N 3.25Å; K136-E138 WeakPolarHBondContact CB-OE2 3.43Å; K136-E138 HydrophobicContact CD-CB 4.47Å; K136-E138 WeakPolarHBondContact CD-OE2 3.45Å; K136-E138 HydrophobicContact CG-CB 4.21Å; K136-E138 WeakPolarHBondContact CG-OE2 3.34Å; K136-E138 PolarHBondContact O-N 3.25Å; K136-E138 VanDerWaalsContact O-N 3.16Å; E138-L140 VanDerWaalsContact C-N 3.34Å; E138-R296 VanDerWaalsContact CD-NH1 3.32Å; E138-R296 WeakPolarHBondContact OE1-CD 3.44Å; E138-R296 WeakPolarHBondContact OE1-CG 3.44Å; E138-R296 IonicContact OE1-CZ 3.36Å; E138-R296 IonicContact OE1-NE 2.85Å; E138-R296 IonicContact OE1-NH1 3.06Å; E138-R296 PolarHBondContact OE1-NH1 2.94Å |
| 139 | N | 95.2 | Very high | 94.7 | Very high | 10 Ų | 10 | 40.9 Ų | 40.9 | 5% | 0.053 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -93.9 | 4.8 | -175.4 | -71.7 | -9.4 | 0 | 0 | 0 | 112.1 | D134 K136 P137 L153 A154 | D134-N139 PolarHBondContact O-ND2 3.15Å; D134-N139 PolarHBondContact OD2-ND2 3.02Å; K136-N139 HydrophobicContact CG-CB 4.29Å; K136-N139 PolarHBondContact O-N 3.12Å; P137-N139 PolarHBondContact O-N 3.09Å; N139-L153 WeakPolarHBondContact O-CA 3.26Å; N139-A154 WeakPolarHBondContact CB-O 3.19Å; N139-A154 PolarHBondContact O-N 3.25Å |
| 140 | L | 97.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 95.2 | 178.7 | -62.7 | 176.2 | 0 | 0 | 0 | 109.6 | L96 F97 I118 P137 E138 L153 I201 | L96-L140 HydrophobicContact CB-CB 4.17Å; L96-L140 WeakPolarHBondContact CB-O 3.48Å; L96-L140 HydrophobicContact CD2-CB 4.35Å; L96-L140 HydrophobicContact CD2-CD1 4.47Å; L96-L140 PolarHBondContact N-O 3.22Å; F97-L140 HydrophobicContact CE2-CD1 3.99Å; I118-L140 HydrophobicContact CD1-CD1 3.7Å; I118-L140 HydrophobicContact CD1-CD2 4.16Å; I118-L140 HydrophobicContact CG1-CD1 4.39Å; I118-L140 HydrophobicContact CG1-CD2 3.9Å; I118-L140 HydrophobicContact CG2-CD2 4.31Å; P137-L140 PolarHBondContact O-N 3.22Å; P137-L140 VanDerWaalsContact O-N 3.16Å; E138-L140 VanDerWaalsContact C-N 3.34Å; L140-L153 HydrophobicContact CD2-CD1 4.01Å; L140-I201 HydrophobicContact CD1-CD1 4.11Å; L140-I201 HydrophobicContact CD1-CG2 3.97Å |
| 141 | L | 96.8 | Very high | 94.7 | Very high | 34 Ų | 34 | 39.7 Ų | 39.7 | 18% | 0.178 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 160.7 | -173.9 | -54.9 | -179 | 0 | 0 | 0 | 111.2 | V91 G94 E95 V151 K152 A154 | V91-L141 HydrophobicContact CG2-CB 4.28Å; V91-L141 HydrophobicContact CG2-CD1 3.61Å; G94-L141 CarbonylContact O-C 3.58Å; G94-L141 VanDerWaalsContact O-CA 3.3Å; G94-L141 WeakPolarHBondContact O-CA 3.35Å; E95-L141 HydrophobicContact CG-CD2 3.97Å; L141-V151 CarbonylContact O-C 3.46Å; L141-V151 WeakPolarHBondContact O-CA 3.36Å; L141-K152 PolarHBondContact N-O 3.47Å; L141-K152 PolarHBondContact O-N 3.09Å; L141-A154 HydrophobicContact CD1-CB 3.69Å; L141-A154 HydrophobicContact CG-CB 4.13Å |
| 142 | L | 97.5 | Very high | 94.8 | Very high | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 134.7 | 171.7 | -69.9 | 174 | 0 | 0 | 0 | 110.6 | G93 G94 L96 D99 S144 A149 V151 | G93-L142 WeakPolarHBondContact CA-O 3.46Å; G93-L142 PolarHBondContact N-O 2.97Å; G94-L142 PolarHBondContact O-N 3.35Å; L96-L142 HydrophobicContact CD1-CD2 4.12Å; D99-L142 HydrophobicContact CB-CD1 3.3Å; L142-S144 PolarHBondContact O-N 2.91Å; L142-A149 HydrophobicContact CB-CB 4.42Å; L142-V151 HydrophobicContact CD2-CG2 4.03Å |
| 143 | A | 96.4 | Very high | 94.8 | Very high | 28 Ų | 28 | 41 Ų | 41 | 23% | 0.231 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -56.4 | -38.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T92 A150 K152 | T92-A143 PolarHBondContact N-O 3.27Å; T92-A143 VanDerWaalsContact N-O 3.16Å; T92-A143 PolarHBondContact OG1-O 3.49Å; A143-A150 HydrophobicContact CB-CB 4.42Å; A143-A150 PolarHBondContact N-O 2.95Å; A143-K152 HydrophobicContact CB-CD 3.95Å; A143-K152 HydrophobicContact CB-CG 4.48Å |
| 144 | S | 95.2 | Very high | 94.8 | Very high | 36 Ų | 36 | 40.4 Ų | 40.4 | 25% | 0.252 | 23% | 0.23 | S | C | . | . | trans | -153.9 | 178.5 | 177.2 | 80.8 | 0 | 0 | 0 | 0 | 111.6 | T92 G93 L142 S146 A149 | T92-S144 WeakPolarHBondContact OG1-CA 3.34Å; G93-S144 VanDerWaalsContact CA-O 3.23Å; G93-S144 WeakPolarHBondContact CA-O 3.3Å; L142-S144 PolarHBondContact O-N 2.91Å; S144-S146 VanDerWaalsContact C-N 3.26Å; S144-S146 WeakPolarHBondContact OG-CB 3.27Å; S144-S146 PolarHBondContact OG-N 3.19Å; S144-S146 VanDerWaalsContact OG-N 3.14Å; S144-S146 PolarHBondContact OG-OG 3.46Å; S144-A149 WeakPolarHBondContact O-CB 3.38Å | ||
| 145 | K | 90.7 | Very high | 94.6 | Very high | 179 Ų | 179 | 43.1 Ų | 43.1 | 78% | 0.778 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -81.6 | -0 | 174.3 | -61.1 | -177.1 | 178.8 | -179.2 | 0 | 113.6 | ||
| 146 | S | 90.3 | Very high | 94.5 | Very high | 70 Ų | 70 | 43.3 Ų | 43.3 | 49% | 0.49 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -67.1 | 143.5 | -179.6 | 65.2 | 0 | 0 | 0 | 0 | 110.6 | S144 G148 A149 | S144-S146 VanDerWaalsContact C-N 3.26Å; S144-S146 WeakPolarHBondContact OG-CB 3.27Å; S144-S146 PolarHBondContact OG-N 3.19Å; S144-S146 VanDerWaalsContact OG-N 3.14Å; S144-S146 PolarHBondContact OG-OG 3.46Å; S146-G148 PolarHBondContact O-N 3.26Å; S146-A149 VanDerWaalsContact O-CB 3.29Å; S146-A149 WeakPolarHBondContact O-CB 3.33Å; S146-A149 PolarHBondContact O-N 2.65Å |
| 147 | K | 85.2 | Confident | 94.2 | Very high | 219 Ų | 219 | 42.5 Ų | 42.5 | 95% | 0.952 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 126.6 | 169.3 | -171.9 | 175.1 | -177.6 | 174.8 | 0 | 109.7 | ||
| 148 | G | 86.3 | Confident | 94.1 | Very high | 74 Ų | 74 | 44 Ų | 44 | 76% | 0.763 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 19 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | S146 | S146-G148 PolarHBondContact O-N 3.26Š|
| 149 | A | 94.5 | Very high | 94.3 | Very high | 14 Ų | 14 | 41.2 Ų | 41.2 | 12% | 0.116 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -54.1 | 140.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L142 S144 S146 | L142-A149 HydrophobicContact CB-CB 4.42Å; S144-A149 WeakPolarHBondContact O-CB 3.38Å; S146-A149 VanDerWaalsContact O-CB 3.29Å; S146-A149 WeakPolarHBondContact O-CB 3.33Å; S146-A149 PolarHBondContact O-N 2.65Å |
| 150 | A | 97.4 | Very high | 94.2 | Very high | 33 Ų | 33 | 40.8 Ų | 40.8 | 27% | 0.273 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -66.3 | 138.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A143 | A143-A150 HydrophobicContact CB-CB 4.42Å; A143-A150 PolarHBondContact N-O 2.95Å |
| 151 | V | 98.3 | Very high | 94 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.018 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 130.5 | 167.6 | -177.4 | 0 | 0 | 0 | 0 | 108.2 | N70 L96 Q117 I118 L141 L142 | N70-V151 WeakPolarHBondContact CA-O 3.47Å; N70-V151 VanDerWaalsContact CB-O 3.26Å; N70-V151 WeakPolarHBondContact CB-O 3.33Å; N70-V151 PolarHBondContact ND2-O 3.32Å; L96-V151 HydrophobicContact CD1-CG2 4.07Å; L96-V151 HydrophobicContact CD2-CG1 4.12Å; L96-V151 HydrophobicContact CD2-CG2 4.15Å; Q117-V151 HydrophobicContact CB-CB 4.01Å; Q117-V151 HydrophobicContact CB-CG2 4.39Å; I118-V151 HydrophobicContact CG1-CG1 3.98Å; L141-V151 CarbonylContact O-C 3.46Å; L141-V151 WeakPolarHBondContact O-CA 3.36Å; L142-V151 HydrophobicContact CD2-CG2 4.03Å |
| 152 | K | 98.4 | Very high | 93.9 | Very high | 26 Ų | 26 | 43 Ų | 43 | 11% | 0.113 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 122.1 | 178.2 | -73.5 | -178.9 | 167.5 | -85.4 | 0 | 110.3 | P69 N70 I71 V72 D89 V91 L141 A143 | P69-K152 PolarHBondContact O-NZ 3.46Å; P69-K152 VanDerWaalsContact O-NZ 3.17Å; N70-K152 WeakPolarHBondContact O-CA 3.46Å; I71-K152 PolarHBondContact O-NZ 3.17Å; V72-K152 HydrophobicContact CG2-CB 3.8Å; V72-K152 HydrophobicContact CG2-CD 4.47Å; D89-K152 IonicContact OD2-NZ 3.9Å; D89-K152 PolarHBondContact OD2-NZ 2.93Å; V91-K152 HydrophobicContact CG1-CD 3.76Å; L141-K152 PolarHBondContact N-O 3.47Å; L141-K152 PolarHBondContact O-N 3.09Å; A143-K152 HydrophobicContact CB-CD 3.95Å; A143-K152 HydrophobicContact CB-CG 4.48Å |
| 153 | L | 98.6 | Very high | 93.4 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 128 | 170.6 | -177.9 | 60.5 | 0 | 0 | 0 | 110 | N70 V72 L135 N139 L140 F156 | N70-L153 PolarHBondContact O-N 3.42Å; V72-L153 PolarHBondContact N-O 3.32Å; L135-L153 HydrophobicContact CD2-CD1 4.43Å; L135-L153 HydrophobicContact CG-CD1 4.32Å; N139-L153 WeakPolarHBondContact O-CA 3.26Å; L140-L153 HydrophobicContact CD2-CD1 4.01Å; L153-F156 HydrophobicContact CD2-CZ 4.1Å; L153-F156 HydrophobicContact CG-CE2 4.4Å; L153-F156 HydrophobicContact CG-CZ 4.28Å |
| 154 | A | 95.4 | Very high | 92.9 | Very high | 11 Ų | 11 | 51.8 Ų | 51.8 | 9% | 0.091 | 29% | 0.293 | C | S | . | . | trans | -120.7 | 168.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V72 H132 N139 L141 | V72-A154 HydrophobicContact CB-CB 4.37Å; V72-A154 HydrophobicContact CG2-CB 3.72Å; H132-A154 PolarHBondContact NE2-O 3.2Å; H132-A154 VanDerWaalsContact NE2-O 3.13Å; N139-A154 WeakPolarHBondContact CB-O 3.19Å; N139-A154 PolarHBondContact O-N 3.25Å; L141-A154 HydrophobicContact CD1-CB 3.69Å; L141-A154 HydrophobicContact CG-CB 4.13Å | ||
| 155 | D | 91.6 | Very high | 92.4 | Very high | 69 Ų | 69 | 56.4 Ų | 56.4 | 37% | 0.369 | 32% | 0.315 | S | S | . | . | trans | 60.8 | 84.1 | 173 | -162.6 | 3.7 | 0 | 0 | 0 | 116.6 | H132 G157 | H132-D155 PolarHBondContact CE1-O 3.1Å; H132-D155 PolarHBondContact NE2-O 3.23Å; D155-G157 VanDerWaalsContact C-N 3.3Å; D155-G157 PolarHBondContact O-N 3.42Å; D155-G157 PolarHBondContact OD1-N 3.45Å; D155-G157 VanDerWaalsContact OD1-N 3.14Å | ||
| 156 | F | 95.1 | Very high | 92.1 | Very high | 5 Ų | 5 | 55 Ų | 55 | 2% | 0.022 | 31% | 0.312 | C | S | . | . | trans | -91.4 | 19.5 | 175.3 | -72.6 | -103.2 | 0 | 0 | 0 | 112.9 | I62 L66 I71 I130 H132 L153 L158 A159 | I62-F156 HydrophobicContact CG2-CB 4.43Å; I62-F156 HydrophobicContact CG2-CD1 3.95Å; I62-F156 HydrophobicContact CG2-CG 4.49Å; L66-F156 HydrophobicContact CD1-CD1 3.64Å; L66-F156 HydrophobicContact CD1-CE1 3.2Å; L66-F156 HydrophobicContact CD1-CE2 4.22Å; L66-F156 HydrophobicContact CD1-CG 4.32Å; L66-F156 HydrophobicContact CD1-CZ 3.53Å; I71-F156 HydrophobicContact CD1-CZ 4.4Å; I71-F156 HydrophobicContact CG2-CE2 3.76Å; I71-F156 HydrophobicContact CG2-CZ 3.92Å; I130-F156 HydrophobicContact CG2-CD1 4.4Å; I130-F156 HydrophobicContact CG2-CE1 4.4Å; H132-F156 AromaticContact CD2-CD1 3.98Å; H132-F156 AromaticContact CD2-CE1 3.69Å; H132-F156 AromaticContact CD2-CZ 3.77Å; L153-F156 HydrophobicContact CD2-CZ 4.1Å; L153-F156 HydrophobicContact CG-CE2 4.4Å; L153-F156 HydrophobicContact CG-CZ 4.28Å; F156-L158 PolarHBondContact O-N 3.28Å; F156-L158 VanDerWaalsContact O-N 3.14Å; F156-A159 HydrophobicContact CB-CB 3.86Å; F156-A159 HydrophobicContact CD1-CB 3.75Å; F156-A159 HydrophobicContact CG-CB 4.29Å; F156-A159 VanDerWaalsContact O-CB 3.25Å; F156-A159 WeakPolarHBondContact O-CB 3.31Å; F156-A159 PolarHBondContact O-N 3.26Å | ||
| 157 | G | 90.5 | Very high | 91.6 | Very high | 16 Ų | 16 | 54.7 Ų | 54.7 | 17% | 0.165 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -25.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | D155 | D155-G157 VanDerWaalsContact C-N 3.3Å; D155-G157 PolarHBondContact O-N 3.42Å; D155-G157 PolarHBondContact OD1-N 3.45Å; D155-G157 VanDerWaalsContact OD1-N 3.14Å |
| 158 | L | 92.2 | Very high | 91.5 | Very high | 31 Ų | 31 | 47.6 Ų | 47.6 | 16% | 0.162 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -1.2 | 174.2 | -61.3 | -175.1 | 0 | 0 | 0 | 113.9 | H132 R133 D134 F156 A173 | H132-L158 CarbonylContact O-C 3.54Å; R133-L158 VanDerWaalsContact CZ-O 3.23Å; R133-L158 PolarHBondContact NE-O 3.41Å; R133-L158 PolarHBondContact NH2-O 2.84Å; D134-L158 HydrophobicContact CB-CB 4.24Å; D134-L158 HydrophobicContact CB-CD1 3.77Å; D134-L158 HydrophobicContact CB-CG 4.35Å; F156-L158 PolarHBondContact O-N 3.28Å; F156-L158 VanDerWaalsContact O-N 3.14Å; L158-A173 HydrophobicContact CD1-CB 4.31Å; L158-A173 HydrophobicContact CD2-CB 4.47Å |
| 159 | A | 95.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -67.9 | 154 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R58 I62 I130 V131 F156 | R58-A159 PolarHBondContact NE-O 3Å; I62-A159 VanDerWaalsContact CD1-C 3.49Å; I62-A159 HydrophobicContact CD1-CB 3.79Å; I62-A159 WeakPolarHBondContact CD1-O 3.37Å; I62-A159 HydrophobicContact CG2-CB 4.16Å; I130-A159 HydrophobicContact CG2-CB 4.34Å; V131-A159 VanDerWaalsContact O-CA 3.23Å; V131-A159 WeakPolarHBondContact O-CA 3.13Å; F156-A159 HydrophobicContact CB-CB 3.86Å; F156-A159 HydrophobicContact CD1-CB 3.75Å; F156-A159 HydrophobicContact CG-CB 4.29Å; F156-A159 VanDerWaalsContact O-CB 3.25Å; F156-A159 WeakPolarHBondContact O-CB 3.31Å; F156-A159 PolarHBondContact O-N 3.26Å | ||
| 160 | I | 94.6 | Very high | 91 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 153.7 | -179.7 | 50.3 | 163.3 | 0 | 0 | 0 | 111.2 | I130 V131 R133 V162 W169 Y189 | I130-I160 WeakPolarHBondContact CA-O 3.48Å; V131-I160 HydrophobicContact CB-CD1 4.38Å; V131-I160 HydrophobicContact CB-CG1 4.01Å; V131-I160 PolarHBondContact N-O 3.19Å; V131-I160 PolarHBondContact O-N 2.93Å; R133-I160 HydrophobicContact CG-CG1 4.31Å; R133-I160 VanDerWaalsContact NH2-CG2 3.29Å; I160-V162 HydrophobicContact CD1-CG1 4.06Å; I160-V162 HydrophobicContact CG1-CG1 4.42Å; I160-W169 HydrophobicContact CB-CD2 4.29Å; I160-W169 HydrophobicContact CB-CH2 4.21Å; I160-W169 HydrophobicContact CB-CZ2 3.86Å; I160-W169 HydrophobicContact CD1-CB 3.77Å; I160-W169 HydrophobicContact CD1-CD2 3.39Å; I160-W169 HydrophobicContact CD1-CE3 3.98Å; I160-W169 HydrophobicContact CD1-CG 3.29Å; I160-W169 HydrophobicContact CD1-CZ2 4.49Å; I160-W169 HydrophobicContact CG1-CD2 4.42Å; I160-W169 HydrophobicContact CG2-CD2 4.35Å; I160-W169 HydrophobicContact CG2-CE3 4.15Å; I160-W169 HydrophobicContact CG2-CH2 3.76Å; I160-W169 HydrophobicContact CG2-CZ2 3.96Å; I160-W169 HydrophobicContact CG2-CZ3 3.86Å; I160-Y189 HydrophobicContact CD1-CE2 4.44Å |
| 161 | E | 94.1 | Very high | 90.3 | Very high | 71 Ų | 71 | 52.4 Ų | 52.4 | 33% | 0.332 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 128.3 | 170.2 | -64.2 | 165.2 | 99.7 | 0 | 0 | 108.7 | R61 I62 N129 W169 | R61-E161 IonicContact CZ-OE2 3.85Å; R61-E161 VanDerWaalsContact CZ-OE2 3.26Å; R61-E161 IonicContact NE-OE1 2.77Å; R61-E161 IonicContact NE-OE2 3.63Å; R61-E161 PolarHBondContact NE-OE2 3.21Å; R61-E161 IonicContact NH2-OE2 3.87Å; R61-E161 PolarHBondContact NH2-OE2 3.46Å; I62-E161 HydrophobicContact CD1-CG 4.21Å; I62-E161 HydrophobicContact CG1-CG 3.93Å; N129-E161 CarbonylContact O-C 3.57Å; N129-E161 WeakPolarHBondContact O-CA 3.47Å; E161-W169 WeakPolarHBondContact O-CZ2 3.38Å; E161-W169 PolarHBondContact O-NE1 2.76Å |
| 162 | V | 93.6 | Very high | 89.6 | Confident | 12 Ų | 12 | 54.7 Ų | 54.7 | 7% | 0.073 | 30% | 0.299 | C | S | . | . | trans | -109.8 | 160.1 | 177.5 | -55.4 | 0 | 0 | 0 | 0 | 110.4 | N129 V131 I160 K191 | N129-V162 HydrophobicContact CB-CG2 4.09Å; N129-V162 VanDerWaalsContact CB-O 3.25Å; N129-V162 WeakPolarHBondContact CB-O 3.49Å; N129-V162 WeakPolarHBondContact O-CG2 3.46Å; N129-V162 PolarHBondContact O-N 2.95Å; V131-V162 HydrophobicContact CB-CG1 4.37Å; V131-V162 HydrophobicContact CG2-CB 4.47Å; V131-V162 HydrophobicContact CG2-CG1 3.5Å; V131-V162 HydrophobicContact CG2-CG2 4.06Å; I160-V162 HydrophobicContact CD1-CG1 4.06Å; I160-V162 HydrophobicContact CG1-CG1 4.42Å; V162-K191 HydrophobicContact CG2-CG 4.27Å | ||
| 163 | Q | 87.9 | Confident | 88.6 | Confident | 185 Ų | 185 | 53.9 Ų | 53.9 | 86% | 0.864 | 30% | 0.297 | S | S | * | . | trans | -102.7 | 98.8 | 175.2 | -68.6 | -173.4 | -2.4 | 0 | 0 | 109.5 | ||||
| 164 | G | 85.9 | Confident | 87.8 | Confident | 31 Ų | 31 | 54.3 Ų | 54.3 | 32% | 0.32 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | -139.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | K191 | G164-K191 WeakPolarHBondContact O-CE 3.42Å; G164-K191 PolarHBondContact O-NZ 2.91Å |
| 165 | D | 84.6 | Confident | 87.4 | Confident | 133 Ų | 133 | 55.8 Ų | 55.8 | 71% | 0.711 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | 0.7 | -173.9 | -59.4 | -35.1 | 0 | 0 | 0 | 113.7 | P167 K191 | D165-P167 WeakPolarHBondContact O-CD 3.49Å; D165-K191 IonicContact OD1-NZ 2.63Å; D165-K191 PolarHBondContact OD1-NZ 2.8Å |
| 166 | Q | 83.1 | Confident | 87.2 | Confident | 150 Ų | 150 | 54.1 Ų | 54.1 | 70% | 0.701 | 30% | 0.303 | S | S | * | . | trans | -74.5 | 124.2 | -179.8 | -68.7 | -62.1 | -26.5 | 0 | 0 | 110.7 | A168 | Q166-A168 PolarHBondContact O-N 3.17Š| ||
| 167 | P | 81.1 | Confident | 87 | Confident | 64 Ų | 64 | 54.9 Ų | 54.9 | 42% | 0.416 | 31% | 0.312 | S | S | . | . | trans | -71.4 | 104.6 | 174.8 | 29.3 | -32.1 | 0 | 0 | 0 | 109.1 | D165 P188 Y189 | D165-P167 WeakPolarHBondContact O-CD 3.49Å; P167-P188 HydrophobicContact CB-CB 4.37Å; P167-P188 VanDerWaalsContact O-CB 3.28Å; P167-P188 WeakPolarHBondContact O-CB 3.43Å; P167-Y189 WeakPolarHBondContact CA-O 3.47Å | ||
| 168 | A | 83.5 | Confident | 87.3 | Confident | 70 Ų | 70 | 55.4 Ų | 55.4 | 58% | 0.579 | 31% | 0.309 | S | S | * | . | trans | -126.6 | -1.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q166 Y189 | Q166-A168 PolarHBondContact O-N 3.17Å; A168-Y189 PolarHBondContact N-O 3.49Å | ||
| 169 | W | 85.4 | Confident | 87.5 | Confident | 65 Ų | 65 | 54.2 Ų | 54.2 | 25% | 0.246 | 30% | 0.303 | C | S | . | . | B | Isolated β-bridge | trans | -91.7 | 137.9 | -177.2 | -88.7 | 91.4 | 0 | 0 | 0 | 112.3 | I160 E161 P188 Y189 | I160-W169 HydrophobicContact CB-CD2 4.29Å; I160-W169 HydrophobicContact CB-CH2 4.21Å; I160-W169 HydrophobicContact CB-CZ2 3.86Å; I160-W169 HydrophobicContact CD1-CB 3.77Å; I160-W169 HydrophobicContact CD1-CD2 3.39Å; I160-W169 HydrophobicContact CD1-CE3 3.98Å; I160-W169 HydrophobicContact CD1-CG 3.29Å; I160-W169 HydrophobicContact CD1-CZ2 4.49Å; I160-W169 HydrophobicContact CG1-CD2 4.42Å; I160-W169 HydrophobicContact CG2-CD2 4.35Å; I160-W169 HydrophobicContact CG2-CE3 4.15Å; I160-W169 HydrophobicContact CG2-CH2 3.76Å; I160-W169 HydrophobicContact CG2-CZ2 3.96Å; I160-W169 HydrophobicContact CG2-CZ3 3.86Å; E161-W169 WeakPolarHBondContact O-CZ2 3.38Å; E161-W169 PolarHBondContact O-NE1 2.76Å; W169-P188 WeakPolarHBondContact O-CA 3.47Å; W169-Y189 HydrophobicContact CB-CD2 4.45Å; W169-Y189 HydrophobicContact CB-CE2 4.17Å; W169-Y189 PolarHBondContact N-O 3.46Å; W169-Y189 VanDerWaalsContact O-CD1 3.32Å; W169-Y189 WeakPolarHBondContact O-CD1 3.35Å; W169-Y189 PolarHBondContact O-N 2.86Å |
| 170 | F | 84.3 | Confident | 87.6 | Confident | 125 Ų | 125 | 54.3 Ų | 54.3 | 55% | 0.548 | 30% | 0.304 | S | S | . | . | trans | -120 | 160.3 | 174.3 | -63.1 | -92.2 | 0 | 0 | 0 | 109.8 | P188 | F170-P188 HydrophobicContact CE1-CB 4.19Å; F170-P188 HydrophobicContact CE1-CG 3.71Å; F170-P188 HydrophobicContact CE2-CB 4.38Å; F170-P188 HydrophobicContact CE2-CG 4.39Å; F170-P188 HydrophobicContact CZ-CB 3.97Å; F170-P188 HydrophobicContact CZ-CG 3.56Å | ||
| 171 | G | 82.3 | Confident | 87.7 | Confident | 32 Ų | 32 | 54.3 Ų | 54.3 | 33% | 0.33 | 30% | 0.304 | S | S | . | . | trans | 122.5 | 140 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y189 | G171-Y189 WeakPolarHBondContact O-CE1 3.36Å; G171-Y189 PolarHBondContact O-OH 2.72Å | ||
| 172 | F | 82.9 | Confident | 87.8 | Confident | 50 Ų | 50 | 51 Ų | 51 | 22% | 0.219 | 29% | 0.288 | C | S | . | . | trans | -89 | 108.2 | 178.1 | -164.8 | -78.1 | 0 | 0 | 0 | 109.1 | L179 V183 L184 Y221 V344 | F172-L179 HydrophobicContact CE1-CD1 3.63Å; F172-L179 HydrophobicContact CE2-CD1 3.99Å; F172-L179 HydrophobicContact CZ-CD1 3.34Å; F172-V183 HydrophobicContact CD2-CG1 4.45Å; F172-L184 HydrophobicContact CE2-CD2 3.57Å; F172-L184 HydrophobicContact CZ-CD2 3.87Å; F172-Y221 HydrophobicContact CZ-CE2 4.43Å; F172-V344 HydrophobicContact CD1-CB 4.43Å; F172-V344 HydrophobicContact CD1-CG2 3.36Å; F172-V344 HydrophobicContact CE1-CB 4.04Å; F172-V344 HydrophobicContact CE1-CG2 3.35Å | ||
| 173 | A | 77.9 | Confident | 87.9 | Confident | 9 Ų | 9 | 50.9 Ų | 50.9 | 7% | 0.074 | 29% | 0.287 | C | S | . | . | trans | -147.8 | 142 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | L158 L179 | L158-A173 HydrophobicContact CD1-CB 4.31Å; L158-A173 HydrophobicContact CD2-CB 4.47Å; A173-L179 WeakPolarHBondContact O-CD2 3.44Å | ||
| 174 | G | 82.3 | Confident | 88.3 | Confident | 11 Ų | 11 | 42.5 Ų | 42.5 | 11% | 0.113 | 25% | 0.248 | C | C | . | . | S | Bend | trans | 125.3 | -178.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 175 | T | 86.5 | Confident | 88.7 | Confident | 43 Ų | 43 | 45.4 Ų | 45.4 | 26% | 0.264 | 25% | 0.249 | S | C | . | . | trans | -94.5 | 122.8 | -175.7 | -59.6 | 0 | 0 | 0 | 0 | 110.2 | D134 K136 G177 Y178 L179 | D134-T175 PolarHBondContact OD1-OG1 2.93Å; D134-T175 VanDerWaalsContact OD1-OG1 3.06Å; K136-T175 VanDerWaalsContact CD-OG1 3.3Å; K136-T175 WeakPolarHBondContact CD-OG1 3.2Å; K136-T175 PolarHBondContact NZ-OG1 3.22Å; T175-G177 PolarHBondContact O-N 2.94Å; T175-Y178 HydrophobicContact CG2-CD2 3.7Å; T175-Y178 HydrophobicContact CG2-CE2 3.9Å; T175-Y178 PolarHBondContact O-N 3.1Å; T175-L179 PolarHBondContact O-N 3.38Å | ||
| 176 | P | 87.2 | Confident | 89 | Confident | 34 Ų | 34 | 45.2 Ų | 45.2 | 22% | 0.221 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -41.3 | -46.9 | -168.4 | -38.3 | 38.4 | 0 | 0 | 0 | 117.6 | Y178 L179 L220 Y221 I224 | P176-Y178 PolarHBondContact O-N 3.45Å; P176-L179 PolarHBondContact O-N 3.16Å; P176-L220 HydrophobicContact CB-CD2 4.36Å; P176-Y221 HydrophobicContact CB-CE1 3.97Å; P176-I224 WeakPolarHBondContact O-CD1 3.38Å |
| 177 | G | 91.7 | Very high | 89.5 | Confident | 20 Ų | 20 | 42 Ų | 42 | 21% | 0.206 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -72 | -9.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | T175 | T175-G177 PolarHBondContact O-N 2.94Š|
| 178 | Y | 96.9 | Very high | 90.1 | Very high | 27 Ų | 27 | 41.7 Ų | 41.7 | 11% | 0.106 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -114.3 | -2.6 | -179.6 | -52.2 | -88.6 | 0 | 0 | 0 | 112.1 | K136 P137 T175 P176 V200 I201 I204 | K136-Y178 HydrophobicContact CB-CD2 4.03Å; K136-Y178 HydrophobicContact CB-CE1 4.42Å; K136-Y178 HydrophobicContact CB-CE2 3.91Å; K136-Y178 HydrophobicContact CB-CG 4.34Å; P137-Y178 VanDerWaalsContact CD-CZ 3.43Å; P137-Y178 WeakPolarHBondContact CD-OH 2.87Å; P137-Y178 WeakPolarHBondContact CG-OH 3.44Å; T175-Y178 HydrophobicContact CG2-CD2 3.7Å; T175-Y178 HydrophobicContact CG2-CE2 3.9Å; T175-Y178 PolarHBondContact O-N 3.1Å; P176-Y178 PolarHBondContact O-N 3.45Å; Y178-V200 HydrophobicContact CD1-CB 4.02Å; Y178-V200 HydrophobicContact CD1-CG1 3.46Å; Y178-V200 VanDerWaalsContact CD1-CG1 3.46Å; Y178-V200 HydrophobicContact CE1-CG1 3.64Å; Y178-V200 HydrophobicContact CG-CG1 4.36Å; Y178-I201 HydrophobicContact CD1-CG1 4.4Å; Y178-I201 HydrophobicContact CE1-CG1 4.28Å; Y178-I204 HydrophobicContact CE1-CD1 3.89Å |
| 179 | L | 96.6 | Very high | 90.6 | Very high | 7 Ų | 7 | 38.7 Ų | 38.7 | 4% | 0.037 | 20% | 0.199 | C | C | . | . | trans | -69.1 | 135.4 | 177.9 | -68.3 | 178.5 | 0 | 0 | 0 | 110.5 | F172 A173 T175 P176 V183 L184 W196 I224 | F172-L179 HydrophobicContact CE1-CD1 3.63Å; F172-L179 HydrophobicContact CE2-CD1 3.99Å; F172-L179 HydrophobicContact CZ-CD1 3.34Å; A173-L179 WeakPolarHBondContact O-CD2 3.44Å; T175-L179 PolarHBondContact O-N 3.38Å; P176-L179 PolarHBondContact O-N 3.16Å; L179-V183 HydrophobicContact CD2-CG1 4.13Å; L179-L184 HydrophobicContact CB-CD2 3.97Å; L179-L184 HydrophobicContact CB-CG 4.18Å; L179-L184 HydrophobicContact CD1-CD2 3.65Å; L179-L184 HydrophobicContact CG-CD2 4.47Å; L179-W196 PolarHBondContact O-NE1 2.77Å; L179-W196 VanDerWaalsContact O-NE1 3.08Å; L179-I224 VanDerWaalsContact O-CG2 3.3Å; L179-I224 WeakPolarHBondContact O-CG2 3.45Å | ||
| 180 | S | 97.3 | Very high | 91.1 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.014 | 19% | 0.193 | C | C | . | . | trans | -74.1 | 156.1 | 174.7 | 63.1 | 0 | 0 | 0 | 0 | 112.4 | E182 V183 L184 V193 | S180-E182 VanDerWaalsContact C-N 3.34Å; S180-E182 WeakPolarHBondContact CB-OE2 3.49Å; S180-E182 PolarHBondContact O-N 3.16Å; S180-E182 VanDerWaalsContact OG-CD 3.3Å; S180-E182 PolarHBondContact OG-OE1 2.67Å; S180-V183 PolarHBondContact O-N 3.44Å; S180-V183 VanDerWaalsContact OG-CG2 3.23Å; S180-V183 WeakPolarHBondContact OG-CG2 3.3Å; S180-L184 PolarHBondContact O-N 3.01Å; S180-V193 VanDerWaalsContact OG-CG1 3.3Å; S180-V193 WeakPolarHBondContact OG-CG1 3.36Å | ||
| 181 | P | 97.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -54.5 | -43.9 | 179.7 | -27.5 | 36.1 | 0 | 0 | 0 | 114 | V183 L184 R185 W196 I224 V253 | P181-V183 VanDerWaalsContact C-N 3.33Å; P181-V183 PolarHBondContact O-N 2.85Å; P181-L184 PolarHBondContact O-N 2.95Å; P181-R185 WeakPolarHBondContact O-CG 3.47Å; P181-R185 PolarHBondContact O-N 2.85Å; P181-W196 HydrophobicContact CG-CD2 4.45Å; P181-W196 HydrophobicContact CG-CE3 4.06Å; P181-W196 HydrophobicContact CG-CH2 3.46Å; P181-W196 VanDerWaalsContact CG-CH2 3.46Å; P181-W196 HydrophobicContact CG-CZ2 3.9Å; P181-W196 HydrophobicContact CG-CZ3 3.55Å; P181-I224 HydrophobicContact CG-CG2 4.25Å; P181-I224 WeakPolarHBondContact CG-O 3.19Å; P181-V253 HydrophobicContact CB-CG1 4.11Å; P181-V253 HydrophobicContact CG-CG1 4.22Å |
| 182 | E | 96.4 | Very high | 92.5 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.009 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.1 | -37.5 | -179.2 | 58.8 | -88.6 | -150.3 | 0 | 0 | 112.5 | S180 R185 K186 E187 V193 P255 R258 | S180-E182 VanDerWaalsContact C-N 3.34Å; S180-E182 WeakPolarHBondContact CB-OE2 3.49Å; S180-E182 PolarHBondContact O-N 3.16Å; S180-E182 VanDerWaalsContact OG-CD 3.3Å; S180-E182 PolarHBondContact OG-OE1 2.67Å; E182-R185 PolarHBondContact O-N 3.25Å; E182-K186 PolarHBondContact O-N 3.37Å; E182-K186 VanDerWaalsContact O-N 3.17Å; E182-E187 HydrophobicContact CB-CB 4.2Å; E182-E187 PolarHBondContact O-N 3.19Å; E182-V193 HydrophobicContact CG-CG1 4.18Å; E182-P255 HydrophobicContact CG-CG 4.49Å; E182-R258 IonicContact OE1-CZ 3.89Å; E182-R258 IonicContact OE1-NH1 2.77Å; E182-R258 PolarHBondContact OE1-NH1 2.88Å; E182-R258 IonicContact OE1-NH2 3.75Å; E182-R258 PolarHBondContact OE1-NH2 2.77Å; E182-R258 IonicContact OE2-CZ 3.13Å; E182-R258 IonicContact OE2-NH1 3.86Å; E182-R258 IonicContact OE2-NH2 3.04Å; E182-R258 PolarHBondContact OE2-NH2 3.47Å |
| 183 | V | 95.8 | Very high | 93.2 | Very high | 8 Ų | 8 | 29.6 Ų | 29.6 | 5% | 0.048 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.8 | -44.7 | 174.3 | 175.8 | 0 | 0 | 0 | 0 | 110.4 | F172 L179 S180 P181 R185 K186 Y189 V193 | F172-V183 HydrophobicContact CD2-CG1 4.45Å; L179-V183 HydrophobicContact CD2-CG1 4.13Å; S180-V183 PolarHBondContact O-N 3.44Å; S180-V183 VanDerWaalsContact OG-CG2 3.23Å; S180-V183 WeakPolarHBondContact OG-CG2 3.3Å; P181-V183 VanDerWaalsContact C-N 3.33Å; P181-V183 PolarHBondContact O-N 2.85Å; V183-R185 VanDerWaalsContact C-N 3.27Å; V183-R185 PolarHBondContact O-N 3.03Å; V183-K186 PolarHBondContact O-N 3.04Å; V183-Y189 HydrophobicContact CG2-CD1 3.67Å; V183-Y189 HydrophobicContact CG2-CD2 4.24Å; V183-Y189 HydrophobicContact CG2-CE1 3.85Å; V183-Y189 HydrophobicContact CG2-CE2 4.41Å; V183-Y189 HydrophobicContact CG2-CG 3.86Å; V183-V193 HydrophobicContact CG2-CG1 3.9Å |
| 184 | L | 94.7 | Very high | 94.2 | Very high | 10 Ų | 10 | 29.2 Ų | 29.2 | 5% | 0.052 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -69.4 | -24.3 | 178.3 | -62.3 | -176.4 | 0 | 0 | 0 | 113.3 | F172 L179 S180 P181 K186 Y221 I224 K225 | F172-L184 HydrophobicContact CE2-CD2 3.57Å; F172-L184 HydrophobicContact CZ-CD2 3.87Å; L179-L184 HydrophobicContact CB-CD2 3.97Å; L179-L184 HydrophobicContact CB-CG 4.18Å; L179-L184 HydrophobicContact CD1-CD2 3.65Å; L179-L184 HydrophobicContact CG-CD2 4.47Å; S180-L184 PolarHBondContact O-N 3.01Å; P181-L184 PolarHBondContact O-N 2.95Å; L184-K186 VanDerWaalsContact C-N 3.28Å; L184-Y221 HydrophobicContact CD1-CD1 3.76Å; L184-Y221 HydrophobicContact CD1-CE1 4.48Å; L184-Y221 HydrophobicContact CD1-CG 4.05Å; L184-Y221 HydrophobicContact CD2-CD1 3.85Å; L184-Y221 HydrophobicContact CD2-CD2 4.43Å; L184-Y221 HydrophobicContact CD2-CE1 3.84Å; L184-Y221 HydrophobicContact CD2-CE2 4.41Å; L184-Y221 HydrophobicContact CD2-CG 4.16Å; L184-Y221 HydrophobicContact CG-CD1 4.48Å; L184-I224 HydrophobicContact CD1-CB 3.68Å; L184-I224 HydrophobicContact CD1-CD1 4Å; L184-I224 HydrophobicContact CD1-CG1 4.45Å; L184-I224 HydrophobicContact CD1-CG2 3.44Å; L184-I224 VanDerWaalsContact CD1-CG2 3.44Å; L184-I224 HydrophobicContact CG-CG2 4.46Å; L184-K225 VanDerWaalsContact C-CE 3.47Å; L184-K225 HydrophobicContact CB-CD 4.47Å; L184-K225 VanDerWaalsContact CB-CE 3.47Å; L184-K225 HydrophobicContact CB-CG 4.1Å; L184-K225 HydrophobicContact CD1-CG 4.46Å; L184-K225 WeakPolarHBondContact O-CE 3.5Å; L184-K225 PolarHBondContact O-NZ 3.26Å; L184-K225 VanDerWaalsContact O-NZ 3.08Å |
| 185 | R | 94.3 | Very high | 95 | Very high | 91 Ų | 91 | 28.9 Ų | 28.9 | 34% | 0.343 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -5 | 172.3 | -70.8 | -175.1 | -173.9 | 105.8 | -1.5 | 113.2 | P181 E182 V183 E187 K225 | P181-R185 WeakPolarHBondContact O-CG 3.47Å; P181-R185 PolarHBondContact O-N 2.85Å; E182-R185 PolarHBondContact O-N 3.25Å; V183-R185 VanDerWaalsContact C-N 3.27Å; V183-R185 PolarHBondContact O-N 3.03Å; R185-E187 HydrophobicContact CB-CG 3.77Å; R185-E187 WeakPolarHBondContact CD-OE1 3.19Å; R185-E187 PolarHBondContact O-N 3.31Å; R185-K225 HydrophobicContact CG-CD 4.36Å; R185-K225 HydrophobicContact CG-CG 4.23Å; R185-K225 PolarHBondContact NH2-O 3.37Å |
| 186 | K | 92.4 | Very high | 95.6 | Very high | 129 Ų | 129 | 26.9 Ų | 26.9 | 56% | 0.561 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 31.5 | -173.6 | -52.3 | -176.1 | 176 | -167 | 0 | 112.3 | E182 V183 L184 | E182-K186 PolarHBondContact O-N 3.37Å; E182-K186 VanDerWaalsContact O-N 3.17Å; V183-K186 PolarHBondContact O-N 3.04Å; L184-K186 VanDerWaalsContact C-N 3.28Å |
| 187 | E | 93.7 | Very high | 96.1 | Very high | 83 Ų | 83 | 25.5 Ų | 25.5 | 39% | 0.388 | 13% | 0.132 | S | C | . | . | trans | -83.3 | 156.9 | 174.7 | -70.4 | 165.8 | 175.7 | 0 | 0 | 110.1 | E182 R185 Y189 | E182-E187 HydrophobicContact CB-CB 4.2Å; E182-E187 PolarHBondContact O-N 3.19Å; R185-E187 HydrophobicContact CB-CG 3.77Å; R185-E187 WeakPolarHBondContact CD-OE1 3.19Å; R185-E187 PolarHBondContact O-N 3.31Å; E187-Y189 WeakPolarHBondContact O-CD1 3.3Å; E187-Y189 PolarHBondContact O-N 3.24Å | ||
| 188 | P | 93 | Very high | 96.4 | Very high | 57 Ų | 57 | 24.6 Ų | 24.6 | 37% | 0.37 | 12% | 0.123 | S | C | . | . | trans | -58.9 | 135.8 | 168.9 | -10.5 | 20.2 | 0 | 0 | 0 | 110.1 | P167 W169 F170 | P167-P188 HydrophobicContact CB-CB 4.37Å; P167-P188 VanDerWaalsContact O-CB 3.28Å; P167-P188 WeakPolarHBondContact O-CB 3.43Å; W169-P188 WeakPolarHBondContact O-CA 3.47Å; F170-P188 HydrophobicContact CE1-CB 4.19Å; F170-P188 HydrophobicContact CE1-CG 3.71Å; F170-P188 HydrophobicContact CE2-CB 4.38Å; F170-P188 HydrophobicContact CE2-CG 4.39Å; F170-P188 HydrophobicContact CZ-CB 3.97Å; F170-P188 HydrophobicContact CZ-CG 3.56Å | ||
| 189 | Y | 94.5 | Very high | 96.5 | Very high | 7 Ų | 7 | 23.3 Ų | 23.3 | 3% | 0.027 | 12% | 0.118 | C | C | . | . | B | Isolated β-bridge | trans | -134.8 | 172.8 | -180 | 63.7 | -97.2 | 0 | 0 | 0 | 112.3 | R133 I160 P167 A168 W169 G171 V183 E187 V193 | R133-Y189 HydrophobicContact CG-CE2 4.49Å; R133-Y189 PolarHBondContact NH1-OH 2.9Å; I160-Y189 HydrophobicContact CD1-CE2 4.44Å; P167-Y189 WeakPolarHBondContact CA-O 3.47Å; A168-Y189 PolarHBondContact N-O 3.49Å; W169-Y189 HydrophobicContact CB-CD2 4.45Å; W169-Y189 HydrophobicContact CB-CE2 4.17Å; W169-Y189 PolarHBondContact N-O 3.46Å; W169-Y189 VanDerWaalsContact O-CD1 3.32Å; W169-Y189 WeakPolarHBondContact O-CD1 3.35Å; W169-Y189 PolarHBondContact O-N 2.86Å; G171-Y189 WeakPolarHBondContact O-CE1 3.36Å; G171-Y189 PolarHBondContact O-OH 2.72Å; V183-Y189 HydrophobicContact CG2-CD1 3.67Å; V183-Y189 HydrophobicContact CG2-CD2 4.24Å; V183-Y189 HydrophobicContact CG2-CE1 3.85Å; V183-Y189 HydrophobicContact CG2-CE2 4.41Å; V183-Y189 HydrophobicContact CG2-CG 3.86Å; E187-Y189 WeakPolarHBondContact O-CD1 3.3Å; E187-Y189 PolarHBondContact O-N 3.24Å; Y189-V193 HydrophobicContact CD2-CG1 3.67Å; Y189-V193 HydrophobicContact CD2-CG2 4.34Å; Y189-V193 HydrophobicContact CG-CG1 3.88Å |
| 190 | G | 95.2 | Very high | 96.6 | Very high | 11 Ų | 11 | 23 Ų | 23 | 11% | 0.113 | 12% | 0.116 | C | C | . | . | trans | -155.9 | -146.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A192 V193 | G190-A192 PolarHBondContact O-N 3.5Å; G190-A192 VanDerWaalsContact O-N 3.08Å; G190-V193 WeakPolarHBondContact O-CG2 3.45Å; G190-V193 PolarHBondContact O-N 3.49Å | ||
| 191 | K | 97.8 | Very high | 96.7 | Very high | 36 Ų | 36 | 22.9 Ų | 22.9 | 16% | 0.157 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -33.4 | -174.2 | -65.7 | 168.8 | -176.2 | 177.7 | 0 | 114.7 | H126 N129 V131 V162 G164 D165 V193 D194 | H126-K191 HydrophobicContact CB-CD 3.96Å; H126-K191 HydrophobicContact CB-CG 4.26Å; H126-K191 PolarHBondContact CE1-O 3.46Å; H126-K191 PolarHBondContact NE2-O 3.08Å; H126-K191 WeakPolarHBondContact O-CE 3.13Å; H126-K191 PolarHBondContact O-NZ 2.99Å; N129-K191 PolarHBondContact OD1-NZ 3.44Å; V131-K191 HydrophobicContact CG2-CB 4.37Å; V131-K191 HydrophobicContact CG2-CG 3.85Å; V162-K191 HydrophobicContact CG2-CG 4.27Å; G164-K191 WeakPolarHBondContact O-CE 3.42Å; G164-K191 PolarHBondContact O-NZ 2.91Å; D165-K191 IonicContact OD1-NZ 2.63Å; D165-K191 PolarHBondContact OD1-NZ 2.8Å; K191-V193 PolarHBondContact O-N 3.15Å; K191-V193 VanDerWaalsContact O-N 3.07Å; K191-D194 PolarHBondContact O-N 3.05Å |
| 192 | A | 97.7 | Very high | 96.8 | Very high | 24 Ų | 24 | 22.9 Ų | 22.9 | 20% | 0.198 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.3 | -22.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | G190 D194 V195 W196 P255 R258 | G190-A192 PolarHBondContact O-N 3.5Å; G190-A192 VanDerWaalsContact O-N 3.08Å; A192-D194 VanDerWaalsContact C-N 3.29Å; A192-D194 PolarHBondContact O-N 3.45Å; A192-V195 PolarHBondContact O-N 2.82Å; A192-W196 PolarHBondContact O-N 2.85Å; A192-P255 HydrophobicContact CB-CB 3.87Å; A192-R258 VanDerWaalsContact C-NH1 3.26Å; A192-R258 WeakPolarHBondContact O-CD 3.45Å; A192-R258 PolarHBondContact O-NH1 3.32Å |
| 193 | V | 97.8 | Very high | 96.9 | Very high | 10 Ų | 10 | 23 Ų | 23 | 6% | 0.061 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.9 | -33.5 | 179.6 | -53.6 | 0 | 0 | 0 | 0 | 112.2 | V131 R133 S180 E182 V183 Y189 G190 K191 V195 W196 A197 | V131-V193 HydrophobicContact CG1-CG2 3.58Å; R133-V193 HydrophobicContact CG-CG2 4.37Å; S180-V193 VanDerWaalsContact OG-CG1 3.3Å; S180-V193 WeakPolarHBondContact OG-CG1 3.36Å; E182-V193 HydrophobicContact CG-CG1 4.18Å; V183-V193 HydrophobicContact CG2-CG1 3.9Å; Y189-V193 HydrophobicContact CD2-CG1 3.67Å; Y189-V193 HydrophobicContact CD2-CG2 4.34Å; Y189-V193 HydrophobicContact CG-CG1 3.88Å; G190-V193 WeakPolarHBondContact O-CG2 3.45Å; G190-V193 PolarHBondContact O-N 3.49Å; K191-V193 PolarHBondContact O-N 3.15Å; K191-V193 VanDerWaalsContact O-N 3.07Å; V193-V195 VanDerWaalsContact C-N 3.33Å; V193-W196 WeakPolarHBondContact O-CB 3.07Å; V193-W196 PolarHBondContact O-N 2.98Å; V193-A197 PolarHBondContact O-N 2.82Å |
| 194 | D | 98.5 | Very high | 97 | Very high | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.011 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -71 | -32.7 | 178.2 | -68.4 | -23.3 | 0 | 0 | 0 | 111.2 | V122 H126 V131 H132 R133 L135 K191 A192 A197 C198 | V122-D194 HydrophobicContact CG1-CB 3.86Å; H126-D194 IonicContact CD2-OD2 3.88Å; H126-D194 IonicContact NE2-OD2 2.67Å; H126-D194 PolarHBondContact NE2-OD2 3.4Å; V131-D194 WeakPolarHBondContact CA-OD2 3.04Å; V131-D194 WeakPolarHBondContact CG1-OD2 3.23Å; H132-D194 PolarHBondContact N-OD1 2.89Å; H132-D194 PolarHBondContact N-OD2 2.8Å; R133-D194 PolarHBondContact N-OD1 3.32Å; L135-D194 HydrophobicContact CD1-CB 3.61Å; L135-D194 WeakPolarHBondContact CD1-OD1 3.33Å; K191-D194 PolarHBondContact O-N 3.05Å; A192-D194 VanDerWaalsContact C-N 3.29Å; A192-D194 PolarHBondContact O-N 3.45Å; D194-A197 PolarHBondContact O-N 2.85Å; D194-C198 PolarHBondContact O-N 2.97Å; D194-C198 PolarHBondContact O-SG 3.07Å |
| 195 | V | 98.8 | Very high | 97.1 | Very high | 4 Ų | 4 | 22.1 Ų | 22.1 | 2% | 0.024 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -70.7 | -35.3 | 176.8 | -173.9 | 0 | 0 | 0 | 0 | 111.2 | A192 V193 C198 G199 M250 I259 A261 | A192-V195 PolarHBondContact O-N 2.82Å; V193-V195 VanDerWaalsContact C-N 3.33Å; V195-C198 WeakPolarHBondContact O-CB 3.02Å; V195-C198 PolarHBondContact O-N 2.76Å; V195-G199 PolarHBondContact O-N 2.84Å; V195-M250 HydrophobicContact CG1-CB 4.24Å; V195-M250 HydrophobicContact CG1-CG 3.84Å; V195-I259 HydrophobicContact CG1-CG2 3.99Å; V195-I259 WeakPolarHBondContact CG1-O 3.08Å; V195-A261 HydrophobicContact CG2-CB 4.34Å |
| 196 | W | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -58.6 | -48.9 | 170.6 | 175.9 | -84.8 | 0 | 0 | 0 | 111.1 | L179 P181 A192 V193 C198 G199 V200 F212 I224 L251 | L179-W196 PolarHBondContact O-NE1 2.77Å; L179-W196 VanDerWaalsContact O-NE1 3.08Å; P181-W196 HydrophobicContact CG-CD2 4.45Å; P181-W196 HydrophobicContact CG-CE3 4.06Å; P181-W196 HydrophobicContact CG-CH2 3.46Å; P181-W196 VanDerWaalsContact CG-CH2 3.46Å; P181-W196 HydrophobicContact CG-CZ2 3.9Å; P181-W196 HydrophobicContact CG-CZ3 3.55Å; A192-W196 PolarHBondContact O-N 2.85Å; V193-W196 WeakPolarHBondContact O-CB 3.07Å; V193-W196 PolarHBondContact O-N 2.98Å; W196-C198 VanDerWaalsContact C-N 3.28Å; W196-C198 PolarHBondContact O-N 2.56Å; W196-G199 WeakPolarHBondContact O-CA 3.44Å; W196-G199 PolarHBondContact O-N 3.34Å; W196-V200 PolarHBondContact O-N 2.97Å; W196-F212 AromaticContact CH2-CE2 3.99Å; W196-F212 HydrophobicContact CH2-CE2 3.99Å; W196-F212 AromaticContact CH2-CZ 3.74Å; W196-F212 HydrophobicContact CH2-CZ 3.74Å; W196-F212 HydrophobicContact CZ2-CD2 4.24Å; W196-F212 AromaticContact CZ2-CE2 3.33Å; W196-F212 HydrophobicContact CZ2-CE2 3.33Å; W196-F212 AromaticContact CZ2-CZ 3.56Å; W196-F212 HydrophobicContact CZ2-CZ 3.56Å; W196-I224 HydrophobicContact CZ2-CG2 3.83Å; W196-L251 HydrophobicContact CD2-CD2 3.97Å; W196-L251 HydrophobicContact CE3-CD2 4.14Å; W196-L251 HydrophobicContact CG-CD2 4.44Å; W196-L251 HydrophobicContact CZ2-CD2 4.33Å; W196-L251 HydrophobicContact CZ3-CB 4.26Å; W196-L251 HydrophobicContact CZ3-CD2 4.41Å; W196-L251 WeakPolarHBondContact CZ3-O 3.26Å |
| 197 | A | 98.7 | Very high | 97.5 | Very high | 5 Ų | 5 | 11.7 Ų | 11.7 | 4% | 0.041 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -60.9 | -37.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | L135 V193 D194 G199 V200 I201 | L135-A197 HydrophobicContact CB-CB 3.73Å; V193-A197 PolarHBondContact O-N 2.82Å; D194-A197 PolarHBondContact O-N 2.85Å; A197-G199 VanDerWaalsContact C-N 3.32Å; A197-G199 PolarHBondContact O-N 2.85Å; A197-V200 PolarHBondContact O-N 3.32Å; A197-I201 WeakPolarHBondContact O-CD1 3.32Å; A197-I201 VanDerWaalsContact O-CG1 3.28Å; A197-I201 WeakPolarHBondContact O-CG1 3.45Å; A197-I201 PolarHBondContact O-N 3.3Å |
| 198 | C | 98.9 | Very high | 97.5 | Very high | 2 Ų | 2 | 7.8 Ų | 7.8 | 1% | 0.014 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -59.3 | -40.3 | 170.9 | -67.8 | 0 | 0 | 0 | 0 | 112.4 | M115 D194 V195 W196 I201 L202 M250 | M115-C198 HydrophobicContact CE-CB 4.01Å; M115-C198 WeakPolarHBondContact CE-O 3.34Å; D194-C198 PolarHBondContact O-N 2.97Å; D194-C198 PolarHBondContact O-SG 3.07Å; V195-C198 WeakPolarHBondContact O-CB 3.02Å; V195-C198 PolarHBondContact O-N 2.76Å; W196-C198 VanDerWaalsContact C-N 3.28Å; W196-C198 PolarHBondContact O-N 2.56Å; C198-I201 PolarHBondContact O-N 2.84Å; C198-L202 WeakPolarHBondContact O-CB 3.41Å; C198-L202 PolarHBondContact O-N 2.77Å; C198-M250 HydrophobicContact CB-CE 4.42Å; C198-M250 HydrophobicContact CB-SD 4.04Å |
| 199 | G | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -62.8 | -42.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V195 W196 A197 L202 Y203 | V195-G199 PolarHBondContact O-N 2.84Å; W196-G199 WeakPolarHBondContact O-CA 3.44Å; W196-G199 PolarHBondContact O-N 3.34Å; A197-G199 VanDerWaalsContact C-N 3.32Å; A197-G199 PolarHBondContact O-N 2.85Å; G199-L202 PolarHBondContact O-N 3.08Å; G199-Y203 WeakPolarHBondContact O-CB 3.47Å; G199-Y203 PolarHBondContact O-N 3.47Å |
| 200 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -62.2 | -45.6 | 174 | 176.1 | 0 | 0 | 0 | 0 | 110.7 | Y178 W196 A197 Y203 I204 P211 F212 L251 | Y178-V200 HydrophobicContact CD1-CB 4.02Å; Y178-V200 HydrophobicContact CD1-CG1 3.46Å; Y178-V200 VanDerWaalsContact CD1-CG1 3.46Å; Y178-V200 HydrophobicContact CE1-CG1 3.64Å; Y178-V200 HydrophobicContact CG-CG1 4.36Å; W196-V200 PolarHBondContact O-N 2.97Å; A197-V200 PolarHBondContact O-N 3.32Å; V200-Y203 PolarHBondContact O-N 3.38Å; V200-I204 HydrophobicContact CG1-CD1 4.02Å; V200-I204 WeakPolarHBondContact O-CD1 3.38Å; V200-I204 VanDerWaalsContact O-CG1 3.3Å; V200-I204 WeakPolarHBondContact O-CG1 3.41Å; V200-I204 PolarHBondContact O-N 3.38Å; V200-I204 VanDerWaalsContact O-N 3.1Å; V200-P211 HydrophobicContact CB-CG 4.39Å; V200-P211 HydrophobicContact CG1-CG 4.23Å; V200-P211 HydrophobicContact CG2-CG 4.14Å; V200-F212 HydrophobicContact CG2-CE2 4.42Å; V200-L251 HydrophobicContact CG2-CD2 3.95Å |
| 201 | I | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -62 | -46.7 | 178 | -70.9 | 159.2 | 0 | 0 | 0 | 111 | F97 M115 I118 L135 L140 Y178 A197 C198 Y203 I204 L205 | F97-I201 HydrophobicContact CE2-CG2 4.27Å; F97-I201 HydrophobicContact CZ-CG2 4.07Å; M115-I201 HydrophobicContact SD-CG2 3.89Å; I118-I201 HydrophobicContact CD1-CG2 4.21Å; L135-I201 HydrophobicContact CB-CD1 3.97Å; L135-I201 HydrophobicContact CD2-CD1 4.47Å; L140-I201 HydrophobicContact CD1-CD1 4.11Å; L140-I201 HydrophobicContact CD1-CG2 3.97Å; Y178-I201 HydrophobicContact CD1-CG1 4.4Å; Y178-I201 HydrophobicContact CE1-CG1 4.28Å; A197-I201 WeakPolarHBondContact O-CD1 3.32Å; A197-I201 VanDerWaalsContact O-CG1 3.28Å; A197-I201 WeakPolarHBondContact O-CG1 3.45Å; A197-I201 PolarHBondContact O-N 3.3Å; C198-I201 PolarHBondContact O-N 2.84Å; I201-Y203 VanDerWaalsContact C-N 3.34Å; I201-Y203 PolarHBondContact O-N 2.84Å; I201-I204 PolarHBondContact O-N 3.34Å; I201-L205 HydrophobicContact CG2-CD1 3.91Å; I201-L205 HydrophobicContact CG2-CG 4.29Å; I201-L205 WeakPolarHBondContact O-CG 3.32Å; I201-L205 PolarHBondContact O-N 2.94Å |
| 202 | L | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -59 | -45 | 177.3 | 170.9 | 55.7 | 0 | 0 | 0 | 111.4 | M115 C198 G199 I204 L205 L206 L246 I247 M250 W269 | M115-L202 HydrophobicContact CE-CB 3.94Å; M115-L202 HydrophobicContact CG-CB 4.19Å; M115-L202 HydrophobicContact CG-CD1 3.88Å; M115-L202 HydrophobicContact SD-CB 3.97Å; C198-L202 WeakPolarHBondContact O-CB 3.41Å; C198-L202 PolarHBondContact O-N 2.77Å; G199-L202 PolarHBondContact O-N 3.08Å; L202-I204 VanDerWaalsContact C-N 3.34Å; L202-I204 PolarHBondContact O-N 2.97Å; L202-L205 PolarHBondContact O-N 2.96Å; L202-L206 HydrophobicContact CD1-CD1 3.91Å; L202-L206 HydrophobicContact CD1-CD2 4.46Å; L202-L206 HydrophobicContact CD1-CG 3.95Å; L202-L206 HydrophobicContact CG-CD1 4.34Å; L202-L206 WeakPolarHBondContact O-CG 3.29Å; L202-L206 PolarHBondContact O-N 2.98Å; L202-L206 VanDerWaalsContact O-N 3.12Å; L202-L246 HydrophobicContact CD2-CB 4.27Å; L202-L246 HydrophobicContact CD2-CD2 3.87Å; L202-L246 HydrophobicContact CD2-CG 3.94Å; L202-I247 HydrophobicContact CB-CG1 4.44Å; L202-I247 HydrophobicContact CD2-CD1 4.4Å; L202-I247 HydrophobicContact CD2-CG1 3.58Å; L202-I247 HydrophobicContact CG-CD1 4.07Å; L202-I247 HydrophobicContact CG-CG1 3.7Å; L202-M250 HydrophobicContact CD2-SD 4.37Å; L202-W269 HydrophobicContact CD1-CE3 4.45Å; L202-W269 HydrophobicContact CD1-CH2 3.34Å; L202-W269 HydrophobicContact CD1-CZ2 4.26Å; L202-W269 HydrophobicContact CD1-CZ3 3.46Å; L202-W269 VanDerWaalsContact CD1-CZ3 3.46Å; L202-W269 HydrophobicContact CD2-CZ3 4.31Å |
| 203 | Y | 98.7 | Very high | 97.3 | Very high | 3 Ų | 3 | 10.2 Ų | 10.2 | 1% | 0.012 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -56.3 | -49.4 | 176.1 | -169.4 | -71 | 0 | 0 | 0 | 110.8 | G199 V200 I201 L205 L206 V207 Y209 P211 Y229 D230 Y231 W236 I247 | G199-Y203 WeakPolarHBondContact O-CB 3.47Å; G199-Y203 PolarHBondContact O-N 3.47Å; V200-Y203 PolarHBondContact O-N 3.38Å; I201-Y203 VanDerWaalsContact C-N 3.34Å; I201-Y203 PolarHBondContact O-N 2.84Å; Y203-L205 VanDerWaalsContact C-N 3.34Å; Y203-L205 PolarHBondContact O-N 3.45Å; Y203-L206 PolarHBondContact O-N 3.12Å; Y203-L206 VanDerWaalsContact O-N 3.17Å; Y203-V207 HydrophobicContact CD1-CG2 3.87Å; Y203-V207 HydrophobicContact CE1-CG2 3.65Å; Y203-V207 WeakPolarHBondContact O-CG2 3.33Å; Y203-V207 PolarHBondContact O-N 2.88Å; Y203-Y209 WeakPolarHBondContact CD1-O 3.22Å; Y203-Y209 AromaticContact CE1-CD2 3.74Å; Y203-Y209 HydrophobicContact CE1-CD2 3.74Å; Y203-Y209 AromaticContact CE1-CE2 3.61Å; Y203-Y209 HydrophobicContact CE1-CE2 3.61Å; Y203-Y209 WeakPolarHBondContact CE1-O 3.01Å; Y203-P211 HydrophobicContact CD1-CB 3.98Å; Y203-P211 HydrophobicContact CD1-CG 4.24Å; Y203-P211 HydrophobicContact CD2-CB 3.64Å; Y203-P211 HydrophobicContact CD2-CG 4.26Å; Y203-P211 HydrophobicContact CE1-CB 4.12Å; Y203-P211 HydrophobicContact CE2-CB 3.79Å; Y203-P211 HydrophobicContact CG-CB 3.74Å; Y203-P211 HydrophobicContact CG-CG 3.95Å; Y203-Y229 HydrophobicContact CD2-CD2 4.47Å; Y203-Y229 HydrophobicContact CE2-CD2 4.05Å; Y203-D230 WeakPolarHBondContact CE2-O 3.34Å; Y203-D230 PolarHBondContact OH-O 3.07Å; Y203-Y231 HydrophobicContact CD2-CE1 4.34Å; Y203-Y231 HydrophobicContact CE2-CD1 4.05Å; Y203-Y231 AromaticContact CE2-CE1 3.99Å; Y203-Y231 HydrophobicContact CE2-CE1 3.99Å; Y203-W236 HydrophobicContact CD1-CH2 4.48Å; Y203-W236 AromaticContact CD1-CZ2 3.72Å; Y203-W236 HydrophobicContact CD1-CZ2 3.72Å; Y203-W236 AromaticContact CD2-CH2 3.7Å; Y203-W236 HydrophobicContact CD2-CH2 3.7Å; Y203-W236 AromaticContact CD2-CZ2 3.42Å; Y203-W236 HydrophobicContact CD2-CZ2 3.42Å; Y203-W236 VanDerWaalsContact CD2-CZ2 3.42Å; Y203-W236 AromaticContact CE1-CZ2 3.54Å; Y203-W236 HydrophobicContact CE1-CZ2 3.54Å; Y203-W236 AromaticContact CE2-CE2 3.81Å; Y203-W236 AromaticContact CE2-CH2 3.89Å; Y203-W236 HydrophobicContact CE2-CH2 3.89Å; Y203-W236 AromaticContact CE2-CZ2 3.23Å; Y203-W236 HydrophobicContact CE2-CZ2 3.23Å; Y203-W236 HydrophobicContact CG-CH2 4.02Å; Y203-W236 AromaticContact CG-CZ2 3.66Å; Y203-W236 HydrophobicContact CG-CZ2 3.66Å; Y203-W236 AromaticContact CZ-CE2 3.62Å; Y203-W236 AromaticContact CZ-CZ2 3.29Å; Y203-W236 AromaticContact CZ-NE1 3.53Å; Y203-W236 PolarHBondContact OH-NE1 2.7Å; Y203-W236 VanDerWaalsContact OH-NE1 3.17Å; Y203-I247 HydrophobicContact CD2-CD1 4.22Å; Y203-I247 HydrophobicContact CD2-CG2 4.18Å |
| 204 | I | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -63.4 | -39.9 | 178.3 | -56.5 | 158.6 | 0 | 0 | 0 | 111 | F97 Y178 V200 I201 L202 L206 V207 G208 P210 L289 F292 | F97-I204 HydrophobicContact CD1-CG2 4.39Å; F97-I204 HydrophobicContact CE1-CB 4.11Å; F97-I204 HydrophobicContact CE1-CG2 3.6Å; F97-I204 HydrophobicContact CZ-CG2 4.48Å; Y178-I204 HydrophobicContact CE1-CD1 3.89Å; V200-I204 HydrophobicContact CG1-CD1 4.02Å; V200-I204 WeakPolarHBondContact O-CD1 3.38Å; V200-I204 VanDerWaalsContact O-CG1 3.3Å; V200-I204 WeakPolarHBondContact O-CG1 3.41Å; V200-I204 PolarHBondContact O-N 3.38Å; V200-I204 VanDerWaalsContact O-N 3.1Å; I201-I204 PolarHBondContact O-N 3.34Å; L202-I204 VanDerWaalsContact C-N 3.34Å; L202-I204 PolarHBondContact O-N 2.97Å; I204-L206 PolarHBondContact O-N 3.35Å; I204-V207 PolarHBondContact O-N 3.44Å; I204-G208 WeakPolarHBondContact O-CA 3.25Å; I204-G208 PolarHBondContact O-N 3.34Å; I204-P210 HydrophobicContact CD1-CB 4.24Å; I204-P210 HydrophobicContact CG1-CB 4.13Å; I204-L289 HydrophobicContact CG2-CD2 3.91Å; I204-F292 HydrophobicContact CD1-CE2 4.05Å; I204-F292 HydrophobicContact CD1-CZ 3.83Å; I204-F292 HydrophobicContact CG1-CE2 4.47Å; I204-F292 HydrophobicContact CG2-CD1 4.01Å; I204-F292 HydrophobicContact CG2-CD2 4.23Å; I204-F292 HydrophobicContact CG2-CE1 3.86Å; I204-F292 HydrophobicContact CG2-CE2 4.09Å; I204-F292 HydrophobicContact CG2-CG 4.19Å; I204-F292 HydrophobicContact CG2-CZ 3.91Å |
| 205 | L | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.7 | -24.9 | 178.2 | -75.8 | 174.4 | 0 | 0 | 0 | 113.3 | F97 I100 Y106 A111 M115 I201 L202 Y203 | F97-L205 HydrophobicContact CD1-CD2 4.49Å; F97-L205 HydrophobicContact CE1-CD2 3.88Å; F97-L205 HydrophobicContact CE1-CG 4.26Å; F97-L205 HydrophobicContact CE2-CD2 3.99Å; F97-L205 HydrophobicContact CE2-CG 4.42Å; F97-L205 HydrophobicContact CZ-CD2 3.61Å; F97-L205 HydrophobicContact CZ-CG 3.78Å; I100-L205 HydrophobicContact CD1-CD2 3.41Å; I100-L205 VanDerWaalsContact CD1-CD2 3.41Å; Y106-L205 WeakPolarHBondContact CE1-O 3.5Å; Y106-L205 PolarHBondContact OH-O 3.07Å; A111-L205 HydrophobicContact CB-CB 4.42Å; M115-L205 HydrophobicContact CG-CD1 3.79Å; M115-L205 HydrophobicContact SD-CD1 3.64Å; I201-L205 HydrophobicContact CG2-CD1 3.91Å; I201-L205 HydrophobicContact CG2-CG 4.29Å; I201-L205 WeakPolarHBondContact O-CG 3.32Å; I201-L205 PolarHBondContact O-N 2.94Å; L202-L205 PolarHBondContact O-N 2.96Å; Y203-L205 VanDerWaalsContact C-N 3.34Å; Y203-L205 PolarHBondContact O-N 3.45Å |
| 206 | L | 97.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -90.1 | -30.9 | -178.4 | -69.8 | 178.8 | 0 | 0 | 0 | 114.3 | E108 A111 L202 Y203 I204 W236 V239 A243 I247 W269 R282 T285 | E108-L206 HydrophobicContact CG-CD2 3.94Å; A111-L206 HydrophobicContact CB-CD2 4.04Å; L202-L206 HydrophobicContact CD1-CD1 3.91Å; L202-L206 HydrophobicContact CD1-CD2 4.46Å; L202-L206 HydrophobicContact CD1-CG 3.95Å; L202-L206 HydrophobicContact CG-CD1 4.34Å; L202-L206 WeakPolarHBondContact O-CG 3.29Å; L202-L206 PolarHBondContact O-N 2.98Å; L202-L206 VanDerWaalsContact O-N 3.12Å; Y203-L206 PolarHBondContact O-N 3.12Å; Y203-L206 VanDerWaalsContact O-N 3.17Å; I204-L206 PolarHBondContact O-N 3.35Å; L206-W236 HydrophobicContact CB-CH2 4.19Å; L206-W236 HydrophobicContact CD1-CH2 4.04Å; L206-W236 HydrophobicContact CD1-CZ3 3.99Å; L206-V239 HydrophobicContact CD1-CG1 4.04Å; L206-A243 HydrophobicContact CD1-CB 3.82Å; L206-I247 HydrophobicContact CD1-CD1 3.78Å; L206-W269 HydrophobicContact CD2-CH2 4.26Å; L206-W269 HydrophobicContact CD2-CZ2 3.86Å; L206-R282 PolarHBondContact O-NE 3.41Å; L206-R282 PolarHBondContact O-NH2 3.43Å; L206-T285 VanDerWaalsContact C-CG2 3.5Å; L206-T285 VanDerWaalsContact O-CG2 3.28Å; L206-T285 WeakPolarHBondContact O-CG2 3.27Å; L206-T285 PolarHBondContact O-OG1 3.32Å |
| 207 | V | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -132.6 | -10 | -174 | -62.7 | 0 | 0 | 0 | 0 | 115.2 | Y203 I204 Y209 E235 W236 V239 C288 | Y203-V207 HydrophobicContact CD1-CG2 3.87Å; Y203-V207 HydrophobicContact CE1-CG2 3.65Å; Y203-V207 WeakPolarHBondContact O-CG2 3.33Å; Y203-V207 PolarHBondContact O-N 2.88Å; I204-V207 PolarHBondContact O-N 3.44Å; V207-Y209 HydrophobicContact CB-CD1 4.2Å; V207-Y209 HydrophobicContact CB-CE1 3.77Å; V207-Y209 HydrophobicContact CG2-CD1 3.95Å; V207-Y209 HydrophobicContact CG2-CD2 4.01Å; V207-Y209 HydrophobicContact CG2-CE1 3.73Å; V207-Y209 HydrophobicContact CG2-CE2 3.76Å; V207-Y209 HydrophobicContact CG2-CG 4.1Å; V207-Y209 WeakPolarHBondContact O-CD1 3.29Å; V207-E235 HydrophobicContact CB-CB 4.18Å; V207-E235 HydrophobicContact CG1-CB 3.95Å; V207-W236 HydrophobicContact CB-CZ2 4.25Å; V207-W236 HydrophobicContact CG1-CD2 3.81Å; V207-W236 VanDerWaalsContact CG1-CE2 3.41Å; V207-W236 HydrophobicContact CG1-CE3 4.43Å; V207-W236 HydrophobicContact CG1-CG 4.14Å; V207-W236 HydrophobicContact CG1-CH2 4.31Å; V207-W236 HydrophobicContact CG1-CZ2 3.66Å; V207-W236 HydrophobicContact CG2-CZ2 3.54Å; V207-V239 HydrophobicContact CG1-CG2 4.45Å; V207-C288 VanDerWaalsContact O-CB 3.22Å; V207-C288 WeakPolarHBondContact O-CB 3.39Å |
| 208 | G | 94.2 | Very high | 94.4 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 82.8 | 10.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | I204 C288 F292 | I204-G208 WeakPolarHBondContact O-CA 3.25Å; I204-G208 PolarHBondContact O-N 3.34Å; G208-C288 CarbonylContact O-C 3.59Å; G208-F292 VanDerWaalsContact O-CB 3.24Å; G208-F292 WeakPolarHBondContact O-CB 3.48Å |
| 209 | Y | 94.1 | Very high | 94.1 | Very high | 55 Ų | 55 | 37 Ų | 37 | 22% | 0.216 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -138.6 | 155.7 | 172.9 | 55 | -100 | 0 | 0 | 0 | 110.9 | Y203 V207 E235 W236 | Y203-Y209 WeakPolarHBondContact CD1-O 3.22Å; Y203-Y209 AromaticContact CE1-CD2 3.74Å; Y203-Y209 HydrophobicContact CE1-CD2 3.74Å; Y203-Y209 AromaticContact CE1-CE2 3.61Å; Y203-Y209 HydrophobicContact CE1-CE2 3.61Å; Y203-Y209 WeakPolarHBondContact CE1-O 3.01Å; V207-Y209 HydrophobicContact CB-CD1 4.2Å; V207-Y209 HydrophobicContact CB-CE1 3.77Å; V207-Y209 HydrophobicContact CG2-CD1 3.95Å; V207-Y209 HydrophobicContact CG2-CD2 4.01Å; V207-Y209 HydrophobicContact CG2-CE1 3.73Å; V207-Y209 HydrophobicContact CG2-CE2 3.76Å; V207-Y209 HydrophobicContact CG2-CG 4.1Å; V207-Y209 WeakPolarHBondContact O-CD1 3.29Å; Y209-E235 HydrophobicContact CE1-CB 4.18Å; Y209-E235 HydrophobicContact CE1-CG 3.97Å; Y209-E235 PolarHBondContact OH-OE2 2.91Å; Y209-W236 AromaticContact CZ-NE1 3.86Å; Y209-W236 VanDerWaalsContact OH-CD1 3.27Å; Y209-W236 PolarHBondContact OH-NE1 2.95Å |
| 210 | P | 96.5 | Very high | 93.8 | Very high | 28 Ų | 28 | 37.8 Ų | 37.8 | 18% | 0.182 | 18% | 0.175 | C | C | . | . | trans | -77.1 | 152.3 | -178.3 | 31.2 | -35.3 | 0 | 0 | 0 | 112.7 | I204 F212 W213 | I204-P210 HydrophobicContact CD1-CB 4.24Å; I204-P210 HydrophobicContact CG1-CB 4.13Å; P210-F212 VanDerWaalsContact C-N 3.28Å; P210-F212 PolarHBondContact O-N 3.34Å; P210-W213 HydrophobicContact CG-CB 4.27Å; P210-W213 HydrophobicContact CG-CE3 4.16Å | ||
| 211 | P | 97.5 | Very high | 93.6 | Very high | 10 Ų | 10 | 39 Ų | 39 | 7% | 0.065 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -68.5 | -24.6 | 177.6 | 24.1 | -30.6 | 0 | 0 | 0 | 113.7 | V200 Y203 Y229 L251 | V200-P211 HydrophobicContact CB-CG 4.39Å; V200-P211 HydrophobicContact CG1-CG 4.23Å; V200-P211 HydrophobicContact CG2-CG 4.14Å; Y203-P211 HydrophobicContact CD1-CB 3.98Å; Y203-P211 HydrophobicContact CD1-CG 4.24Å; Y203-P211 HydrophobicContact CD2-CB 3.64Å; Y203-P211 HydrophobicContact CD2-CG 4.26Å; Y203-P211 HydrophobicContact CE1-CB 4.12Å; Y203-P211 HydrophobicContact CE2-CB 3.79Å; Y203-P211 HydrophobicContact CG-CB 3.74Å; Y203-P211 HydrophobicContact CG-CG 3.95Å; P211-Y229 HydrophobicContact CB-CD2 4.46Å; P211-Y229 HydrophobicContact CB-CG 4.25Å; P211-Y229 WeakPolarHBondContact O-CB 3.37Å; P211-L251 HydrophobicContact CB-CD1 4.18Å; P211-L251 HydrophobicContact CG-CD1 4.13Å |
| 212 | F | 96.4 | Very high | 93.5 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.009 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -124.5 | 123.1 | 179.5 | -49.7 | -74 | 0 | 0 | 0 | 108.8 | W196 V200 P210 L220 Q223 I224 Y229 L251 | W196-F212 AromaticContact CH2-CE2 3.99Å; W196-F212 HydrophobicContact CH2-CE2 3.99Å; W196-F212 AromaticContact CH2-CZ 3.74Å; W196-F212 HydrophobicContact CH2-CZ 3.74Å; W196-F212 HydrophobicContact CZ2-CD2 4.24Å; W196-F212 AromaticContact CZ2-CE2 3.33Å; W196-F212 HydrophobicContact CZ2-CE2 3.33Å; W196-F212 AromaticContact CZ2-CZ 3.56Å; W196-F212 HydrophobicContact CZ2-CZ 3.56Å; V200-F212 HydrophobicContact CG2-CE2 4.42Å; P210-F212 VanDerWaalsContact C-N 3.28Å; P210-F212 PolarHBondContact O-N 3.34Å; F212-L220 HydrophobicContact CB-CD1 3.81Å; F212-Q223 HydrophobicContact CD1-CB 4.12Å; F212-I224 HydrophobicContact CB-CD1 4.43Å; F212-I224 HydrophobicContact CB-CG1 3.76Å; F212-I224 HydrophobicContact CD1-CG1 4.18Å; F212-I224 HydrophobicContact CD2-CG1 3.92Å; F212-I224 HydrophobicContact CG-CG1 3.68Å; F212-Y229 AromaticContact CE1-CD1 3.9Å; F212-Y229 HydrophobicContact CE1-CD1 3.9Å; F212-Y229 HydrophobicContact CE1-CG 4.25Å; F212-Y229 AromaticContact CZ-CD1 3.69Å; F212-Y229 HydrophobicContact CZ-CD1 3.69Å; F212-Y229 HydrophobicContact CZ-CG 4.2Å; F212-L251 HydrophobicContact CE2-CD1 4.33Å; F212-L251 HydrophobicContact CE2-CD2 4.39Å; F212-L251 HydrophobicContact CZ-CD1 4.47Å |
| 213 | W | 90.2 | Very high | 93.4 | Very high | 90 Ų | 90 | 44.7 Ų | 44.7 | 34% | 0.341 | 22% | 0.215 | S | C | . | . | trans | -152.6 | 131.9 | -179.1 | 179.9 | -93.7 | 0 | 0 | 0 | 111.4 | P210 Q223 | P210-W213 HydrophobicContact CG-CB 4.27Å; P210-W213 HydrophobicContact CG-CE3 4.16Å; W213-Q223 PolarHBondContact O-NE2 3.18Å; W213-Q223 VanDerWaalsContact O-NE2 3.13Å; W213-Q223 PolarHBondContact O-OE1 2.63Å | ||
| 214 | D | 86.9 | Confident | 93.4 | Very high | 38 Ų | 38 | 44.6 Ų | 44.6 | 20% | 0.203 | 21% | 0.214 | C | C | . | . | trans | -154.9 | 155.4 | 166.5 | -155.1 | -68.1 | 0 | 0 | 0 | 108.2 | D216 R219 L220 | D214-D216 WeakPolarHBondContact OD1-CB 3.21Å; D214-D216 PolarHBondContact OD1-N 3.46Å; D214-R219 HydrophobicContact CB-CB 3.98Å; D214-R219 VanDerWaalsContact CG-CB 3.43Å; D214-R219 IonicContact OD1-NE 2.73Å; D214-R219 PolarHBondContact OD1-NE 3.25Å; D214-R219 VanDerWaalsContact OD2-CB 3.23Å; D214-R219 WeakPolarHBondContact OD2-CB 3.46Å; D214-R219 WeakPolarHBondContact OD2-CD 3.32Å; D214-R219 IonicContact OD2-NE 2.76Å; D214-L220 HydrophobicContact CB-CB 4.09Å | ||
| 215 | E | 83.2 | Confident | 93.3 | Very high | 171 Ų | 171 | 48 Ų | 48 | 80% | 0.799 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -75.9 | -31.7 | 170.9 | -61.4 | -167.5 | 153.3 | 0 | 0 | 111.1 | ||
| 216 | D | 83.9 | Confident | 93.3 | Very high | 58 Ų | 58 | 51.7 Ų | 51.7 | 31% | 0.31 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -84.6 | 121.1 | 173.4 | -179.3 | -92.4 | 0 | 0 | 0 | 110.8 | D214 N218 R219 L220 | D214-D216 WeakPolarHBondContact OD1-CB 3.21Å; D214-D216 PolarHBondContact OD1-N 3.46Å; D216-N218 VanDerWaalsContact C-N 3.27Å; D216-N218 PolarHBondContact O-N 2.95Å; D216-N218 WeakPolarHBondContact OD1-CA 3.44Å; D216-N218 VanDerWaalsContact OD1-CB 3.26Å; D216-N218 WeakPolarHBondContact OD1-CB 3.43Å; D216-N218 PolarHBondContact OD1-N 3.48Å; D216-R219 HydrophobicContact CB-CB 4.18Å; D216-R219 HydrophobicContact CB-CG 4.23Å; D216-R219 PolarHBondContact O-N 3.44Å; D216-R219 PolarHBondContact OD1-N 2.83Å; D216-L220 PolarHBondContact O-N 3.28Å |
| 217 | Q | 87.2 | Confident | 93.2 | Very high | 60 Ų | 60 | 52.4 Ų | 52.4 | 28% | 0.28 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.9 | -34.4 | -177.6 | -169.3 | -178 | -72.6 | 0 | 0 | 112.6 | L220 Y221 | Q217-L220 PolarHBondContact O-N 3.49Å; Q217-Y221 HydrophobicContact CG-CD1 4.43Å; Q217-Y221 HydrophobicContact CG-CD2 4.16Å; Q217-Y221 HydrophobicContact CG-CE1 3.94Å; Q217-Y221 HydrophobicContact CG-CE2 3.64Å; Q217-Y221 VanDerWaalsContact CG-CZ 3.49Å; Q217-Y221 VanDerWaalsContact NE2-CE2 3.29Å; Q217-Y221 PolarHBondContact NE2-OH 2.86Å; Q217-Y221 WeakPolarHBondContact O-CB 3.39Å; Q217-Y221 PolarHBondContact O-N 3.37Å |
| 218 | N | 89.5 | Confident | 93.2 | Very high | 107 Ų | 107 | 55 Ų | 55 | 57% | 0.572 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -71.1 | -37.9 | -179.3 | -62 | -53.7 | 0 | 0 | 0 | 111.3 | D216 Y221 S222 | D216-N218 VanDerWaalsContact C-N 3.27Å; D216-N218 PolarHBondContact O-N 2.95Å; D216-N218 WeakPolarHBondContact OD1-CA 3.44Å; D216-N218 VanDerWaalsContact OD1-CB 3.26Å; D216-N218 WeakPolarHBondContact OD1-CB 3.43Å; D216-N218 PolarHBondContact OD1-N 3.48Å; N218-Y221 PolarHBondContact O-N 2.78Å; N218-S222 WeakPolarHBondContact O-CB 3.41Å; N218-S222 PolarHBondContact O-N 3.35Å; N218-S222 PolarHBondContact O-OG 3.21Å |
| 219 | R | 92.2 | Very high | 93.3 | Very high | 153 Ų | 153 | 57.1 Ų | 57.1 | 58% | 0.577 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -65.6 | -45.5 | 171.9 | -73.2 | -166 | -84.2 | -148.8 | -8.7 | 111.7 | D214 D216 Y221 S222 Q223 | D214-R219 HydrophobicContact CB-CB 3.98Å; D214-R219 VanDerWaalsContact CG-CB 3.43Å; D214-R219 IonicContact OD1-NE 2.73Å; D214-R219 PolarHBondContact OD1-NE 3.25Å; D214-R219 VanDerWaalsContact OD2-CB 3.23Å; D214-R219 WeakPolarHBondContact OD2-CB 3.46Å; D214-R219 WeakPolarHBondContact OD2-CD 3.32Å; D214-R219 IonicContact OD2-NE 2.76Å; D216-R219 HydrophobicContact CB-CB 4.18Å; D216-R219 HydrophobicContact CB-CG 4.23Å; D216-R219 PolarHBondContact O-N 3.44Å; D216-R219 PolarHBondContact OD1-N 2.83Å; R219-Y221 VanDerWaalsContact C-N 3.33Å; R219-Y221 PolarHBondContact O-N 3.3Å; R219-S222 WeakPolarHBondContact O-CB 3.43Å; R219-S222 PolarHBondContact O-N 2.76Å; R219-Q223 WeakPolarHBondContact O-CG 3.31Å; R219-Q223 PolarHBondContact O-N 3.2Å |
| 220 | L | 93.1 | Very high | 93.5 | Very high | 16 Ų | 16 | 59.5 Ų | 59.5 | 8% | 0.084 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -54.2 | -49.9 | 173.1 | 173.5 | 63.8 | 0 | 0 | 0 | 111.2 | P176 F212 D214 D216 Q217 S222 Q223 I224 | P176-L220 HydrophobicContact CB-CD2 4.36Å; F212-L220 HydrophobicContact CB-CD1 3.81Å; D214-L220 HydrophobicContact CB-CB 4.09Å; D216-L220 PolarHBondContact O-N 3.28Å; Q217-L220 PolarHBondContact O-N 3.49Å; L220-S222 VanDerWaalsContact C-N 3.26Å; L220-S222 PolarHBondContact O-N 3.13Å; L220-Q223 PolarHBondContact O-N 3.02Å; L220-I224 HydrophobicContact CD1-CD1 4Å; L220-I224 HydrophobicContact CD1-CG1 4.39Å; L220-I224 HydrophobicContact CG-CD1 4.01Å; L220-I224 WeakPolarHBondContact O-CG1 3.44Å; L220-I224 PolarHBondContact O-N 3.2Å |
| 221 | Y | 95.4 | Very high | 93.5 | Very high | 24 Ų | 24 | 61 Ų | 61 | 9% | 0.094 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.9 | -32.8 | 178.3 | -69.4 | -10 | 0 | 0 | 0 | 112.9 | F172 P176 L184 Q217 N218 R219 K225 | F172-Y221 HydrophobicContact CZ-CE2 4.43Å; P176-Y221 HydrophobicContact CB-CE1 3.97Å; L184-Y221 HydrophobicContact CD1-CD1 3.76Å; L184-Y221 HydrophobicContact CD1-CE1 4.48Å; L184-Y221 HydrophobicContact CD1-CG 4.05Å; L184-Y221 HydrophobicContact CD2-CD1 3.85Å; L184-Y221 HydrophobicContact CD2-CD2 4.43Å; L184-Y221 HydrophobicContact CD2-CE1 3.84Å; L184-Y221 HydrophobicContact CD2-CE2 4.41Å; L184-Y221 HydrophobicContact CD2-CG 4.16Å; L184-Y221 HydrophobicContact CG-CD1 4.48Å; Q217-Y221 HydrophobicContact CG-CD1 4.43Å; Q217-Y221 HydrophobicContact CG-CD2 4.16Å; Q217-Y221 HydrophobicContact CG-CE1 3.94Å; Q217-Y221 HydrophobicContact CG-CE2 3.64Å; Q217-Y221 VanDerWaalsContact CG-CZ 3.49Å; Q217-Y221 VanDerWaalsContact NE2-CE2 3.29Å; Q217-Y221 PolarHBondContact NE2-OH 2.86Å; Q217-Y221 WeakPolarHBondContact O-CB 3.39Å; Q217-Y221 PolarHBondContact O-N 3.37Å; N218-Y221 PolarHBondContact O-N 2.78Å; R219-Y221 VanDerWaalsContact C-N 3.33Å; R219-Y221 PolarHBondContact O-N 3.3Å; Y221-K225 WeakPolarHBondContact O-CB 3.42Å; Y221-K225 WeakPolarHBondContact O-CG 3.31Å; Y221-K225 PolarHBondContact O-N 2.95Å |
| 222 | S | 96 | Very high | 93.3 | Very high | 73 Ų | 73 | 62.5 Ų | 62.5 | 51% | 0.51 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67.1 | -44.8 | 175.8 | -60 | 0 | 0 | 0 | 0 | 111.4 | N218 R219 L220 K225 S226 | N218-S222 WeakPolarHBondContact O-CB 3.41Å; N218-S222 PolarHBondContact O-N 3.35Å; N218-S222 PolarHBondContact O-OG 3.21Å; R219-S222 WeakPolarHBondContact O-CB 3.43Å; R219-S222 PolarHBondContact O-N 2.76Å; L220-S222 VanDerWaalsContact C-N 3.26Å; L220-S222 PolarHBondContact O-N 3.13Å; S222-K225 PolarHBondContact O-N 3.11Å; S222-S226 PolarHBondContact O-N 3.01Å; S222-S226 PolarHBondContact O-OG 3.32Å; S222-S226 VanDerWaalsContact O-OG 3.05Å |
| 223 | Q | 96.9 | Very high | 93.1 | Very high | 48 Ų | 48 | 66.4 Ų | 66.4 | 22% | 0.224 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.2 | -47.1 | 174.9 | -65.6 | 173.5 | 30.3 | 0 | 0 | 111.6 | F212 W213 R219 L220 S226 G227 A228 | F212-Q223 HydrophobicContact CD1-CB 4.12Å; W213-Q223 PolarHBondContact O-NE2 3.18Å; W213-Q223 VanDerWaalsContact O-NE2 3.13Å; W213-Q223 PolarHBondContact O-OE1 2.63Å; R219-Q223 WeakPolarHBondContact O-CG 3.31Å; R219-Q223 PolarHBondContact O-N 3.2Å; L220-Q223 PolarHBondContact O-N 3.02Å; Q223-S226 PolarHBondContact O-N 2.98Å; Q223-S226 PolarHBondContact O-OG 2.84Å; Q223-S226 VanDerWaalsContact O-OG 3.08Å; Q223-G227 PolarHBondContact O-N 3.04Å; Q223-A228 PolarHBondContact O-N 2.75Å |
| 224 | I | 97.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.3 | -49.6 | 178.2 | -67.3 | 168.1 | 0 | 0 | 0 | 110 | P176 L179 P181 L184 W196 F212 L220 S226 G227 | P176-I224 WeakPolarHBondContact O-CD1 3.38Å; L179-I224 VanDerWaalsContact O-CG2 3.3Å; L179-I224 WeakPolarHBondContact O-CG2 3.45Å; P181-I224 HydrophobicContact CG-CG2 4.25Å; P181-I224 WeakPolarHBondContact CG-O 3.19Å; L184-I224 HydrophobicContact CD1-CB 3.68Å; L184-I224 HydrophobicContact CD1-CD1 4Å; L184-I224 HydrophobicContact CD1-CG1 4.45Å; L184-I224 HydrophobicContact CD1-CG2 3.44Å; L184-I224 VanDerWaalsContact CD1-CG2 3.44Å; L184-I224 HydrophobicContact CG-CG2 4.46Å; W196-I224 HydrophobicContact CZ2-CG2 3.83Å; F212-I224 HydrophobicContact CB-CD1 4.43Å; F212-I224 HydrophobicContact CB-CG1 3.76Å; F212-I224 HydrophobicContact CD1-CG1 4.18Å; F212-I224 HydrophobicContact CD2-CG1 3.92Å; F212-I224 HydrophobicContact CG-CG1 3.68Å; L220-I224 HydrophobicContact CD1-CD1 4Å; L220-I224 HydrophobicContact CD1-CG1 4.39Å; L220-I224 HydrophobicContact CG-CD1 4.01Å; L220-I224 WeakPolarHBondContact O-CG1 3.44Å; L220-I224 PolarHBondContact O-N 3.2Å; I224-S226 VanDerWaalsContact C-N 3.31Å; I224-S226 PolarHBondContact O-N 3.44Å; I224-G227 PolarHBondContact O-N 3.13Å |
| 225 | K | 97.5 | Very high | 93.5 | Very high | 73 Ų | 73 | 66.2 Ų | 66.2 | 32% | 0.317 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -56.4 | -45.5 | 179.6 | -76.3 | 172.7 | -175.5 | -175.4 | 0 | 111.3 | L184 R185 Y221 S222 G227 | L184-K225 VanDerWaalsContact C-CE 3.47Å; L184-K225 HydrophobicContact CB-CD 4.47Å; L184-K225 VanDerWaalsContact CB-CE 3.47Å; L184-K225 HydrophobicContact CB-CG 4.1Å; L184-K225 HydrophobicContact CD1-CG 4.46Å; L184-K225 WeakPolarHBondContact O-CE 3.5Å; L184-K225 PolarHBondContact O-NZ 3.26Å; L184-K225 VanDerWaalsContact O-NZ 3.08Å; R185-K225 HydrophobicContact CG-CD 4.36Å; R185-K225 HydrophobicContact CG-CG 4.23Å; R185-K225 PolarHBondContact NH2-O 3.37Å; Y221-K225 WeakPolarHBondContact O-CB 3.42Å; Y221-K225 WeakPolarHBondContact O-CG 3.31Å; Y221-K225 PolarHBondContact O-N 2.95Å; S222-K225 PolarHBondContact O-N 3.11Å; K225-G227 VanDerWaalsContact C-N 3.27Å; K225-G227 PolarHBondContact O-N 3.23Å |
| 226 | S | 97 | Very high | 94.1 | Very high | 77 Ų | 77 | 58.1 Ų | 58.1 | 54% | 0.538 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -76 | -12.1 | 178.4 | 57.5 | 0 | 0 | 0 | 0 | 114.1 | S222 Q223 I224 A228 | S222-S226 PolarHBondContact O-N 3.01Å; S222-S226 PolarHBondContact O-OG 3.32Å; S222-S226 VanDerWaalsContact O-OG 3.05Å; Q223-S226 PolarHBondContact O-N 2.98Å; Q223-S226 PolarHBondContact O-OG 2.84Å; Q223-S226 VanDerWaalsContact O-OG 3.08Å; I224-S226 VanDerWaalsContact C-N 3.31Å; I224-S226 PolarHBondContact O-N 3.44Å; S226-A228 VanDerWaalsContact OG-CB 3.24Å; S226-A228 WeakPolarHBondContact OG-CB 3.42Å; S226-A228 PolarHBondContact OG-N 2.9Å |
| 227 | G | 96.4 | Very high | 94.6 | Very high | 16 Ų | 16 | 60.2 Ų | 60.2 | 17% | 0.165 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | 31 | -169.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q223 I224 K225 Y229 | Q223-G227 PolarHBondContact O-N 3.04Å; I224-G227 PolarHBondContact O-N 3.13Å; K225-G227 VanDerWaalsContact C-N 3.27Å; K225-G227 PolarHBondContact O-N 3.23Å; G227-Y229 WeakPolarHBondContact O-CD1 3.45Å; G227-Y229 PolarHBondContact O-N 3.16Å; G227-Y229 VanDerWaalsContact O-N 3.13Å |
| 228 | A | 95.5 | Very high | 94.9 | Very high | 53 Ų | 53 | 62.1 Ų | 62.1 | 44% | 0.438 | 35% | 0.345 | S | S | . | . | trans | -81.7 | 88.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q223 S226 | Q223-A228 PolarHBondContact O-N 2.75Å; S226-A228 VanDerWaalsContact OG-CB 3.24Å; S226-A228 WeakPolarHBondContact OG-CB 3.42Å; S226-A228 PolarHBondContact OG-N 2.9Å | ||
| 229 | Y | 97.4 | Very high | 95.3 | Very high | 48 Ų | 48 | 57.3 Ų | 57.3 | 19% | 0.188 | 32% | 0.319 | C | S | . | . | trans | -130.3 | 161.2 | 166.2 | 70 | -80.3 | 0 | 0 | 0 | 108.8 | Y203 P211 F212 G227 Y231 I247 N248 L251 | Y203-Y229 HydrophobicContact CD2-CD2 4.47Å; Y203-Y229 HydrophobicContact CE2-CD2 4.05Å; P211-Y229 HydrophobicContact CB-CD2 4.46Å; P211-Y229 HydrophobicContact CB-CG 4.25Å; P211-Y229 WeakPolarHBondContact O-CB 3.37Å; F212-Y229 AromaticContact CE1-CD1 3.9Å; F212-Y229 HydrophobicContact CE1-CD1 3.9Å; F212-Y229 HydrophobicContact CE1-CG 4.25Å; F212-Y229 AromaticContact CZ-CD1 3.69Å; F212-Y229 HydrophobicContact CZ-CD1 3.69Å; F212-Y229 HydrophobicContact CZ-CG 4.2Å; G227-Y229 WeakPolarHBondContact O-CD1 3.45Å; G227-Y229 PolarHBondContact O-N 3.16Å; G227-Y229 VanDerWaalsContact O-N 3.13Å; Y229-Y231 HydrophobicContact CD2-CE1 4.48Å; Y229-Y231 HydrophobicContact CE2-CE1 4.06Å; Y229-Y231 HydrophobicContact CE2-CE2 4.41Å; Y229-Y231 AromaticContact CE2-CZ 3.77Å; Y229-I247 HydrophobicContact CE2-CG2 3.98Å; Y229-N248 WeakPolarHBondContact OH-CA 2.87Å; Y229-N248 PolarHBondContact OH-OD1 3.12Å; Y229-L251 HydrophobicContact CD1-CB 4.47Å; Y229-L251 HydrophobicContact CD1-CD1 4.11Å; Y229-L251 HydrophobicContact CD2-CD1 4.27Å; Y229-L251 HydrophobicContact CE1-CB 3.68Å; Y229-L251 HydrophobicContact CE1-CD1 3.92Å; Y229-L251 HydrophobicContact CE1-CG 4.47Å; Y229-L251 HydrophobicContact CE2-CD1 4.06Å; Y229-L251 HydrophobicContact CG-CD1 4.29Å | ||
| 230 | D | 96.6 | Very high | 95.6 | Very high | 104 Ų | 104 | 51 Ų | 51 | 56% | 0.556 | 30% | 0.298 | S | S | * | . | trans | -136.4 | -175.3 | 178.8 | 60.6 | 4.8 | 0 | 0 | 0 | 111.5 | Y203 P232 | Y203-D230 WeakPolarHBondContact CE2-O 3.34Å; Y203-D230 PolarHBondContact OH-O 3.07Å; D230-P232 WeakPolarHBondContact O-CD 3.39Å; D230-P232 WeakPolarHBondContact OD1-CD 3.41Å; D230-P232 WeakPolarHBondContact OD1-CG 3.49Å | ||
| 231 | Y | 97.5 | Very high | 95.8 | Very high | 60 Ų | 60 | 54.9 Ų | 54.9 | 24% | 0.235 | 32% | 0.324 | C | S | . | . | trans | -122 | 79.4 | 178.5 | -62.1 | -56.1 | 0 | 0 | 0 | 109.5 | Y203 Y229 W236 K244 I247 N248 | Y203-Y231 HydrophobicContact CD2-CE1 4.34Å; Y203-Y231 HydrophobicContact CE2-CD1 4.05Å; Y203-Y231 AromaticContact CE2-CE1 3.99Å; Y203-Y231 HydrophobicContact CE2-CE1 3.99Å; Y229-Y231 HydrophobicContact CD2-CE1 4.48Å; Y229-Y231 HydrophobicContact CE2-CE1 4.06Å; Y229-Y231 HydrophobicContact CE2-CE2 4.41Å; Y229-Y231 AromaticContact CE2-CZ 3.77Å; Y231-W236 AromaticContact CD1-CD2 3.45Å; Y231-W236 HydrophobicContact CD1-CD2 3.45Å; Y231-W236 VanDerWaalsContact CD1-CD2 3.45Å; Y231-W236 AromaticContact CD1-CE2 3.69Å; Y231-W236 AromaticContact CD1-CE3 3.44Å; Y231-W236 HydrophobicContact CD1-CE3 3.44Å; Y231-W236 VanDerWaalsContact CD1-CE3 3.44Å; Y231-W236 HydrophobicContact CD1-CG 4.08Å; Y231-W236 AromaticContact CD1-CH2 4Å; Y231-W236 HydrophobicContact CD1-CH2 4Å; Y231-W236 HydrophobicContact CD1-CZ2 4Å; Y231-W236 AromaticContact CD1-CZ3 3.7Å; Y231-W236 HydrophobicContact CD1-CZ3 3.7Å; Y231-W236 HydrophobicContact CE1-CD2 4.31Å; Y231-W236 AromaticContact CE1-CE3 3.94Å; Y231-W236 HydrophobicContact CE1-CE3 3.94Å; Y231-W236 AromaticContact CE1-CH2 3.92Å; Y231-W236 HydrophobicContact CE1-CH2 3.92Å; Y231-W236 HydrophobicContact CE1-CZ2 4.27Å; Y231-W236 AromaticContact CE1-CZ3 3.71Å; Y231-W236 HydrophobicContact CE1-CZ3 3.71Å; Y231-W236 HydrophobicContact CG-CD2 4.15Å; Y231-W236 HydrophobicContact CG-CE3 4.21Å; Y231-W236 HydrophobicContact CG-CG 4.38Å; Y231-K244 HydrophobicContact CD1-CG 4.46Å; Y231-K244 HydrophobicContact CD2-CD 4.25Å; Y231-K244 HydrophobicContact CE1-CG 4.22Å; Y231-K244 HydrophobicContact CE2-CB 4.21Å; Y231-K244 HydrophobicContact CE2-CD 4.44Å; Y231-K244 HydrophobicContact CE2-CG 4.31Å; Y231-K244 HydrophobicContact CG-CD 4.38Å; Y231-K244 PolarHBondContact OH-O 2.84Å; Y231-I247 HydrophobicContact CE1-CG2 4.31Å; Y231-I247 WeakPolarHBondContact OH-CG2 3.24Å; Y231-N248 PolarHBondContact OH-OD1 2.85Å | ||
| 232 | P | 93.6 | Very high | 96 | Very high | 42 Ų | 42 | 57.2 Ų | 57.2 | 27% | 0.273 | 34% | 0.336 | S | S | . | . | trans | -62.4 | 144.6 | -175.7 | -23.8 | 34.6 | 0 | 0 | 0 | 113.4 | D230 W236 | D230-P232 WeakPolarHBondContact O-CD 3.39Å; D230-P232 WeakPolarHBondContact OD1-CD 3.41Å; D230-P232 WeakPolarHBondContact OD1-CG 3.49Å; P232-W236 VanDerWaalsContact CD-CD1 3.49Å; P232-W236 WeakPolarHBondContact O-CB 3.28Å; P232-W236 VanDerWaalsContact O-CD1 3.25Å; P232-W236 PolarHBondContact O-N 3.26Å | ||
| 233 | S | 92.3 | Very high | 96.1 | Very high | 83 Ų | 83 | 53.8 Ų | 53.8 | 58% | 0.58 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 148 | 166.2 | -59.5 | 0 | 0 | 0 | 0 | 110.2 | D237 | S233-D237 WeakPolarHBondContact CB-OD1 3.43Å; S233-D237 PolarHBondContact OG-OD1 2.87Å |
| 234 | P | 93.5 | Very high | 96.2 | Very high | 75 Ų | 75 | 53.8 Ų | 53.8 | 49% | 0.487 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -91.1 | -10.4 | 4.8 | 35.3 | -35.4 | 0 | 0 | 0 | 114.9 | W236 D237 | P234-W236 PolarHBondContact O-N 3.4Å; P234-W236 VanDerWaalsContact O-N 3.12Å; P234-D237 WeakPolarHBondContact O-CB 3.09Å; P234-D237 PolarHBondContact O-N 2.92Å |
| 235 | E | 91.5 | Very high | 96.2 | Very high | 50 Ų | 50 | 57.4 Ų | 57.4 | 23% | 0.234 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -29 | -165.2 | -60 | 85.1 | 176.7 | 0 | 0 | 113.3 | V207 Y209 R282 | V207-E235 HydrophobicContact CB-CB 4.18Å; V207-E235 HydrophobicContact CG1-CB 3.95Å; Y209-E235 HydrophobicContact CE1-CB 4.18Å; Y209-E235 HydrophobicContact CE1-CG 3.97Å; Y209-E235 PolarHBondContact OH-OE2 2.91Å; E235-R282 PolarHBondContact O-NH2 3.12Å |
| 236 | W | 96.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -7.2 | 179.4 | -72.3 | 93.4 | 0 | 0 | 0 | 114.9 | Y203 L206 V207 Y209 Y231 P232 P234 T238 V239 K244 I247 | Y203-W236 HydrophobicContact CD1-CH2 4.48Å; Y203-W236 AromaticContact CD1-CZ2 3.72Å; Y203-W236 HydrophobicContact CD1-CZ2 3.72Å; Y203-W236 AromaticContact CD2-CH2 3.7Å; Y203-W236 HydrophobicContact CD2-CH2 3.7Å; Y203-W236 AromaticContact CD2-CZ2 3.42Å; Y203-W236 HydrophobicContact CD2-CZ2 3.42Å; Y203-W236 VanDerWaalsContact CD2-CZ2 3.42Å; Y203-W236 AromaticContact CE1-CZ2 3.54Å; Y203-W236 HydrophobicContact CE1-CZ2 3.54Å; Y203-W236 AromaticContact CE2-CE2 3.81Å; Y203-W236 AromaticContact CE2-CH2 3.89Å; Y203-W236 HydrophobicContact CE2-CH2 3.89Å; Y203-W236 AromaticContact CE2-CZ2 3.23Å; Y203-W236 HydrophobicContact CE2-CZ2 3.23Å; Y203-W236 HydrophobicContact CG-CH2 4.02Å; Y203-W236 AromaticContact CG-CZ2 3.66Å; Y203-W236 HydrophobicContact CG-CZ2 3.66Å; Y203-W236 AromaticContact CZ-CE2 3.62Å; Y203-W236 AromaticContact CZ-CZ2 3.29Å; Y203-W236 AromaticContact CZ-NE1 3.53Å; Y203-W236 PolarHBondContact OH-NE1 2.7Å; Y203-W236 VanDerWaalsContact OH-NE1 3.17Å; L206-W236 HydrophobicContact CB-CH2 4.19Å; L206-W236 HydrophobicContact CD1-CH2 4.04Å; L206-W236 HydrophobicContact CD1-CZ3 3.99Å; V207-W236 HydrophobicContact CB-CZ2 4.25Å; V207-W236 HydrophobicContact CG1-CD2 3.81Å; V207-W236 VanDerWaalsContact CG1-CE2 3.41Å; V207-W236 HydrophobicContact CG1-CE3 4.43Å; V207-W236 HydrophobicContact CG1-CG 4.14Å; V207-W236 HydrophobicContact CG1-CH2 4.31Å; V207-W236 HydrophobicContact CG1-CZ2 3.66Å; V207-W236 HydrophobicContact CG2-CZ2 3.54Å; Y209-W236 AromaticContact CZ-NE1 3.86Å; Y209-W236 VanDerWaalsContact OH-CD1 3.27Å; Y209-W236 PolarHBondContact OH-NE1 2.95Å; Y231-W236 AromaticContact CD1-CD2 3.45Å; Y231-W236 HydrophobicContact CD1-CD2 3.45Å; Y231-W236 VanDerWaalsContact CD1-CD2 3.45Å; Y231-W236 AromaticContact CD1-CE2 3.69Å; Y231-W236 AromaticContact CD1-CE3 3.44Å; Y231-W236 HydrophobicContact CD1-CE3 3.44Å; Y231-W236 VanDerWaalsContact CD1-CE3 3.44Å; Y231-W236 HydrophobicContact CD1-CG 4.08Å; Y231-W236 AromaticContact CD1-CH2 4Å; Y231-W236 HydrophobicContact CD1-CH2 4Å; Y231-W236 HydrophobicContact CD1-CZ2 4Å; Y231-W236 AromaticContact CD1-CZ3 3.7Å; Y231-W236 HydrophobicContact CD1-CZ3 3.7Å; Y231-W236 HydrophobicContact CE1-CD2 4.31Å; Y231-W236 AromaticContact CE1-CE3 3.94Å; Y231-W236 HydrophobicContact CE1-CE3 3.94Å; Y231-W236 AromaticContact CE1-CH2 3.92Å; Y231-W236 HydrophobicContact CE1-CH2 3.92Å; Y231-W236 HydrophobicContact CE1-CZ2 4.27Å; Y231-W236 AromaticContact CE1-CZ3 3.71Å; Y231-W236 HydrophobicContact CE1-CZ3 3.71Å; Y231-W236 HydrophobicContact CG-CD2 4.15Å; Y231-W236 HydrophobicContact CG-CE3 4.21Å; Y231-W236 HydrophobicContact CG-CG 4.38Å; P232-W236 VanDerWaalsContact CD-CD1 3.49Å; P232-W236 WeakPolarHBondContact O-CB 3.28Å; P232-W236 VanDerWaalsContact O-CD1 3.25Å; P232-W236 PolarHBondContact O-N 3.26Å; P234-W236 PolarHBondContact O-N 3.4Å; P234-W236 VanDerWaalsContact O-N 3.12Å; W236-T238 PolarHBondContact O-N 3.02Å; W236-V239 HydrophobicContact CD2-CG2 4.38Å; W236-V239 HydrophobicContact CE3-CB 3.76Å; W236-V239 HydrophobicContact CE3-CG1 3.72Å; W236-V239 HydrophobicContact CE3-CG2 3.81Å; W236-V239 HydrophobicContact CZ3-CB 4.25Å; W236-V239 HydrophobicContact CZ3-CG1 3.7Å; W236-V239 HydrophobicContact CZ3-CG2 4.29Å; W236-V239 PolarHBondContact O-N 3.38Å; W236-K244 HydrophobicContact CE3-CD 4.48Å; W236-K244 HydrophobicContact CE3-CG 4.04Å; W236-K244 HydrophobicContact CZ3-CG 4.11Å; W236-K244 WeakPolarHBondContact O-CE 3.46Å; W236-K244 PolarHBondContact O-NZ 2.77Å; W236-I247 HydrophobicContact CH2-CD1 3.41Å; W236-I247 VanDerWaalsContact CH2-CD1 3.41Å; W236-I247 HydrophobicContact CZ3-CD1 3.79Å |
| 237 | D | 94.4 | Very high | 96.4 | Very high | 103 Ų | 103 | 50.2 Ų | 50.2 | 55% | 0.551 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -32 | -174.9 | -68.7 | -9.8 | 0 | 0 | 0 | 111.7 | S233 P234 | S233-D237 WeakPolarHBondContact CB-OD1 3.43Å; S233-D237 PolarHBondContact OG-OD1 2.87Å; P234-D237 WeakPolarHBondContact O-CB 3.09Å; P234-D237 PolarHBondContact O-N 2.92Å |
| 238 | T | 94 | Very high | 96.5 | Very high | 100 Ų | 100 | 52.7 Ų | 52.7 | 61% | 0.613 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -4 | 179.9 | 59.2 | 0 | 0 | 0 | 0 | 113.9 | W236 R282 | W236-T238 PolarHBondContact O-N 3.02Å; T238-R282 PolarHBondContact OG1-NH1 3.16Å |
| 239 | V | 97.4 | Very high | 96.6 | Very high | 6 Ų | 6 | 52.9 Ų | 52.9 | 4% | 0.036 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -79.6 | 132.4 | -177.1 | 176.7 | 0 | 0 | 0 | 0 | 110.6 | E108 L206 V207 W236 A243 K244 R282 | E108-V239 VanDerWaalsContact OE1-CA 3.25Å; E108-V239 WeakPolarHBondContact OE1-CA 3.42Å; L206-V239 HydrophobicContact CD1-CG1 4.04Å; V207-V239 HydrophobicContact CG1-CG2 4.45Å; W236-V239 HydrophobicContact CD2-CG2 4.38Å; W236-V239 HydrophobicContact CE3-CB 3.76Å; W236-V239 HydrophobicContact CE3-CG1 3.72Å; W236-V239 HydrophobicContact CE3-CG2 3.81Å; W236-V239 HydrophobicContact CZ3-CB 4.25Å; W236-V239 HydrophobicContact CZ3-CG1 3.7Å; W236-V239 HydrophobicContact CZ3-CG2 4.29Å; W236-V239 PolarHBondContact O-N 3.38Å; V239-A243 HydrophobicContact CG1-CB 3.74Å; V239-K244 HydrophobicContact CG1-CG 4.17Å; V239-R282 VanDerWaalsContact CG2-NH2 3.29Å |
| 240 | T | 97.6 | Very high | 96.7 | Very high | 20 Ų | 20 | 50.6 Ų | 50.6 | 12% | 0.123 | 28% | 0.283 | C | S | . | . | trans | -60.5 | 145 | -175.2 | 61 | 0 | 0 | 0 | 0 | 112.7 | E108 E242 A243 K244 W269 V276 | E108-T240 PolarHBondContact OE1-N 3.47Å; E108-T240 WeakPolarHBondContact OE2-CB 3.05Å; E108-T240 VanDerWaalsContact OE2-CG2 3.23Å; E108-T240 WeakPolarHBondContact OE2-CG2 3.18Å; E108-T240 PolarHBondContact OE2-OG1 3.13Å; T240-E242 PolarHBondContact O-N 3.35Å; T240-A243 PolarHBondContact O-N 3.36Å; T240-A243 WeakPolarHBondContact OG1-CB 3.45Å; T240-A243 PolarHBondContact OG1-N 3.49Å; T240-K244 PolarHBondContact O-N 2.93Å; T240-W269 PolarHBondContact OG1-NE1 3.23Å; T240-V276 WeakPolarHBondContact CG2-O 3.4Å | ||
| 241 | P | 98 | Very high | 96.8 | Very high | 98 Ų | 98 | 45.9 Ų | 45.9 | 64% | 0.636 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -55.6 | -33.8 | 174.7 | -26.1 | 35.2 | 0 | 0 | 0 | 113.1 | K244 N245 | P241-K244 PolarHBondContact O-N 2.86Å; P241-N245 WeakPolarHBondContact O-CB 3.23Å; P241-N245 PolarHBondContact O-N 2.69Å |
| 242 | E | 98.5 | Very high | 96.9 | Very high | 73 Ų | 73 | 44.7 Ų | 44.7 | 34% | 0.341 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -72.6 | -36.3 | -179.5 | -62.4 | 85.8 | 172 | 0 | 0 | 112.1 | T240 N245 L246 H267 W269 V276 | T240-E242 PolarHBondContact O-N 3.35Å; E242-N245 PolarHBondContact O-N 2.83Å; E242-L246 PolarHBondContact O-N 2.91Å; E242-H267 PolarHBondContact O-CE1 3.43Å; E242-W269 HydrophobicContact CB-CB 4.02Å; E242-V276 HydrophobicContact CB-CG1 3.5Å; E242-V276 VanDerWaalsContact CB-CG1 3.5Å; E242-V276 HydrophobicContact CG-CG1 3.34Å |
| 243 | A | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.6 | -48.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L206 V239 T240 N245 L246 I247 W269 | L206-A243 HydrophobicContact CD1-CB 3.82Å; V239-A243 HydrophobicContact CG1-CB 3.74Å; T240-A243 PolarHBondContact O-N 3.36Å; T240-A243 WeakPolarHBondContact OG1-CB 3.45Å; T240-A243 PolarHBondContact OG1-N 3.49Å; A243-N245 VanDerWaalsContact C-N 3.3Å; A243-N245 PolarHBondContact O-N 2.98Å; A243-L246 PolarHBondContact O-N 3.45Å; A243-I247 WeakPolarHBondContact O-CG1 3.49Å; A243-I247 PolarHBondContact O-N 2.85Å; A243-I247 VanDerWaalsContact O-N 3.07Å; A243-W269 HydrophobicContact CB-CD2 4.24Å; A243-W269 HydrophobicContact CB-CG 4.26Å; A243-W269 HydrophobicContact CB-CZ2 4.26Å |
| 244 | K | 98.6 | Very high | 97.3 | Very high | 48 Ų | 48 | 42.9 Ų | 42.9 | 21% | 0.209 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.8 | -39.7 | 176.2 | -66.8 | 177.2 | -177.6 | 171.6 | 0 | 111.5 | Y231 W236 V239 T240 P241 I247 N248 | Y231-K244 HydrophobicContact CD1-CG 4.46Å; Y231-K244 HydrophobicContact CD2-CD 4.25Å; Y231-K244 HydrophobicContact CE1-CG 4.22Å; Y231-K244 HydrophobicContact CE2-CB 4.21Å; Y231-K244 HydrophobicContact CE2-CD 4.44Å; Y231-K244 HydrophobicContact CE2-CG 4.31Å; Y231-K244 HydrophobicContact CG-CD 4.38Å; Y231-K244 PolarHBondContact OH-O 2.84Å; W236-K244 HydrophobicContact CE3-CD 4.48Å; W236-K244 HydrophobicContact CE3-CG 4.04Å; W236-K244 HydrophobicContact CZ3-CG 4.11Å; W236-K244 WeakPolarHBondContact O-CE 3.46Å; W236-K244 PolarHBondContact O-NZ 2.77Å; V239-K244 HydrophobicContact CG1-CG 4.17Å; T240-K244 PolarHBondContact O-N 2.93Å; P241-K244 PolarHBondContact O-N 2.86Å; K244-I247 PolarHBondContact O-N 2.86Å; K244-N248 PolarHBondContact O-N 2.66Å; K244-N248 PolarHBondContact O-ND2 2.78Å; K244-N248 PolarHBondContact O-OD1 2.88Å |
| 245 | N | 98.7 | Very high | 97.5 | Very high | 76 Ų | 76 | 41.7 Ų | 41.7 | 41% | 0.406 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.2 | -45.1 | 177.4 | -170.6 | -97.8 | 0 | 0 | 0 | 111.8 | P241 E242 A243 I247 N248 L249 H267 | P241-N245 WeakPolarHBondContact O-CB 3.23Å; P241-N245 PolarHBondContact O-N 2.69Å; E242-N245 PolarHBondContact O-N 2.83Å; A243-N245 VanDerWaalsContact C-N 3.3Å; A243-N245 PolarHBondContact O-N 2.98Å; N245-I247 PolarHBondContact O-N 2.92Å; N245-N248 WeakPolarHBondContact O-CB 3.44Å; N245-N248 PolarHBondContact O-N 3.3Å; N245-L249 WeakPolarHBondContact O-CG 3.38Å; N245-L249 PolarHBondContact O-N 2.89Å; N245-L249 WeakPolarHBondContact OD1-CD1 3.4Å; N245-H267 PolarHBondContact OD1-NE2 3.22Å; N245-H267 VanDerWaalsContact OD1-NE2 3.12Å |
| 246 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62 | -42.8 | 176.6 | -174.6 | 55.3 | 0 | 0 | 0 | 111.9 | L202 E242 A243 N248 L249 M250 I259 A264 H267 W269 I270 | L202-L246 HydrophobicContact CD2-CB 4.27Å; L202-L246 HydrophobicContact CD2-CD2 3.87Å; L202-L246 HydrophobicContact CD2-CG 3.94Å; E242-L246 PolarHBondContact O-N 2.91Å; A243-L246 PolarHBondContact O-N 3.45Å; L246-N248 PolarHBondContact O-N 3.4Å; L246-L249 PolarHBondContact O-N 3.23Å; L246-M250 HydrophobicContact CD1-CE 3.84Å; L246-M250 HydrophobicContact CD1-CG 4.39Å; L246-M250 HydrophobicContact CD2-CE 4.18Å; L246-M250 HydrophobicContact CG-CE 3.94Å; L246-M250 HydrophobicContact CG-SD 4.36Å; L246-M250 WeakPolarHBondContact O-CG 3.45Å; L246-M250 PolarHBondContact O-N 3.15Å; L246-I259 HydrophobicContact CD1-CD1 4.29Å; L246-A264 HydrophobicContact CD1-CB 4.21Å; L246-H267 HydrophobicContact CD1-CB 3.85Å; L246-W269 HydrophobicContact CD2-CE3 3.76Å; L246-W269 HydrophobicContact CD2-CZ3 4.38Å; L246-I270 HydrophobicContact CD2-CD1 4.05Å; L246-I270 HydrophobicContact CD2-CG1 3.76Å |
| 247 | I | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.7 | -47.5 | 174 | -69.7 | 173.7 | 0 | 0 | 0 | 110.6 | L202 Y203 L206 Y229 Y231 W236 A243 K244 N245 L249 M250 L251 | L202-I247 HydrophobicContact CB-CG1 4.44Å; L202-I247 HydrophobicContact CD2-CD1 4.4Å; L202-I247 HydrophobicContact CD2-CG1 3.58Å; L202-I247 HydrophobicContact CG-CD1 4.07Å; L202-I247 HydrophobicContact CG-CG1 3.7Å; Y203-I247 HydrophobicContact CD2-CD1 4.22Å; Y203-I247 HydrophobicContact CD2-CG2 4.18Å; L206-I247 HydrophobicContact CD1-CD1 3.78Å; Y229-I247 HydrophobicContact CE2-CG2 3.98Å; Y231-I247 HydrophobicContact CE1-CG2 4.31Å; Y231-I247 WeakPolarHBondContact OH-CG2 3.24Å; W236-I247 HydrophobicContact CH2-CD1 3.41Å; W236-I247 VanDerWaalsContact CH2-CD1 3.41Å; W236-I247 HydrophobicContact CZ3-CD1 3.79Å; A243-I247 WeakPolarHBondContact O-CG1 3.49Å; A243-I247 PolarHBondContact O-N 2.85Å; A243-I247 VanDerWaalsContact O-N 3.07Å; K244-I247 PolarHBondContact O-N 2.86Å; N245-I247 PolarHBondContact O-N 2.92Å; I247-L249 VanDerWaalsContact C-N 3.26Å; I247-L249 PolarHBondContact O-N 2.83Å; I247-M250 PolarHBondContact O-N 3.08Å; I247-M250 VanDerWaalsContact O-N 3.13Å; I247-L251 HydrophobicContact CG2-CD1 3.65Å; I247-L251 HydrophobicContact CG2-CG 4.1Å; I247-L251 WeakPolarHBondContact O-CB 3.38Å; I247-L251 PolarHBondContact O-N 3.3Å |
| 248 | N | 98.8 | Very high | 98 | Very high | 67 Ų | 67 | 49.3 Ų | 49.3 | 36% | 0.358 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -56.9 | -41.7 | 178.4 | -66.8 | -24 | 0 | 0 | 0 | 112.1 | Y229 Y231 K244 N245 L246 T252 | Y229-N248 WeakPolarHBondContact OH-CA 2.87Å; Y229-N248 PolarHBondContact OH-OD1 3.12Å; Y231-N248 PolarHBondContact OH-OD1 2.85Å; K244-N248 PolarHBondContact O-N 2.66Å; K244-N248 PolarHBondContact O-ND2 2.78Å; K244-N248 PolarHBondContact O-OD1 2.88Å; N245-N248 WeakPolarHBondContact O-CB 3.44Å; N245-N248 PolarHBondContact O-N 3.3Å; L246-N248 PolarHBondContact O-N 3.4Å; N248-T252 PolarHBondContact O-N 2.83Å; N248-T252 PolarHBondContact O-OG1 3.13Å |
| 249 | L | 98.9 | Very high | 98.2 | Very high | 57 Ų | 57 | 45.5 Ų | 45.5 | 30% | 0.298 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -69.3 | -35.8 | 178.8 | -70.8 | 173.4 | 0 | 0 | 0 | 112.5 | N245 L246 I247 T252 I259 | N245-L249 WeakPolarHBondContact O-CG 3.38Å; N245-L249 PolarHBondContact O-N 2.89Å; N245-L249 WeakPolarHBondContact OD1-CD1 3.4Å; L246-L249 PolarHBondContact O-N 3.23Å; I247-L249 VanDerWaalsContact C-N 3.26Å; I247-L249 PolarHBondContact O-N 2.83Å; L249-T252 PolarHBondContact O-OG1 3.36Å; L249-I259 HydrophobicContact CB-CB 3.97Å; L249-I259 HydrophobicContact CB-CD1 4.25Å; L249-I259 HydrophobicContact CB-CG2 3.9Å; L249-I259 HydrophobicContact CD1-CD1 4.1Å; L249-I259 WeakPolarHBondContact O-CG2 3.27Å; L249-I259 PolarHBondContact O-N 2.9Å; L249-I259 VanDerWaalsContact O-N 3.16Å |
| 250 | M | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -77.4 | -40.4 | 176.8 | -70.1 | -175.1 | 173.4 | 0 | 0 | 113.3 | M115 I119 V195 C198 L202 L246 I247 T252 R258 I259 A264 | M115-M250 HydrophobicContact CE-CE 4.5Å; I119-M250 HydrophobicContact CD1-CE 3.63Å; I119-M250 HydrophobicContact CG1-CE 4.16Å; V195-M250 HydrophobicContact CG1-CB 4.24Å; V195-M250 HydrophobicContact CG1-CG 3.84Å; C198-M250 HydrophobicContact CB-CE 4.42Å; C198-M250 HydrophobicContact CB-SD 4.04Å; L202-M250 HydrophobicContact CD2-SD 4.37Å; L246-M250 HydrophobicContact CD1-CE 3.84Å; L246-M250 HydrophobicContact CD1-CG 4.39Å; L246-M250 HydrophobicContact CD2-CE 4.18Å; L246-M250 HydrophobicContact CG-CE 3.94Å; L246-M250 HydrophobicContact CG-SD 4.36Å; L246-M250 WeakPolarHBondContact O-CG 3.45Å; L246-M250 PolarHBondContact O-N 3.15Å; I247-M250 PolarHBondContact O-N 3.08Å; I247-M250 VanDerWaalsContact O-N 3.13Å; M250-T252 PolarHBondContact O-N 2.8Å; M250-R258 WeakPolarHBondContact O-CD 3.44Å; M250-R258 VanDerWaalsContact O-CG 3.27Å; M250-R258 WeakPolarHBondContact O-CG 3.41Å; M250-I259 HydrophobicContact CB-CG2 4.48Å; M250-I259 HydrophobicContact CG-CG2 3.8Å; M250-A264 HydrophobicContact CE-CB 3.73Å |
| 251 | L | 98.7 | Very high | 98.4 | Very high | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 27.4 | 178.6 | -60.5 | -174.2 | 0 | 0 | 0 | 112.4 | W196 V200 P211 F212 Y229 I247 V253 | W196-L251 HydrophobicContact CD2-CD2 3.97Å; W196-L251 HydrophobicContact CE3-CD2 4.14Å; W196-L251 HydrophobicContact CG-CD2 4.44Å; W196-L251 HydrophobicContact CZ2-CD2 4.33Å; W196-L251 HydrophobicContact CZ3-CB 4.26Å; W196-L251 HydrophobicContact CZ3-CD2 4.41Å; W196-L251 WeakPolarHBondContact CZ3-O 3.26Å; V200-L251 HydrophobicContact CG2-CD2 3.95Å; P211-L251 HydrophobicContact CB-CD1 4.18Å; P211-L251 HydrophobicContact CG-CD1 4.13Å; F212-L251 HydrophobicContact CE2-CD1 4.33Å; F212-L251 HydrophobicContact CE2-CD2 4.39Å; F212-L251 HydrophobicContact CZ-CD1 4.47Å; Y229-L251 HydrophobicContact CD1-CB 4.47Å; Y229-L251 HydrophobicContact CD1-CD1 4.11Å; Y229-L251 HydrophobicContact CD2-CD1 4.27Å; Y229-L251 HydrophobicContact CE1-CB 3.68Å; Y229-L251 HydrophobicContact CE1-CD1 3.92Å; Y229-L251 HydrophobicContact CE1-CG 4.47Å; Y229-L251 HydrophobicContact CE2-CD1 4.06Å; Y229-L251 HydrophobicContact CG-CD1 4.29Å; I247-L251 HydrophobicContact CG2-CD1 3.65Å; I247-L251 HydrophobicContact CG2-CG 4.1Å; I247-L251 WeakPolarHBondContact O-CB 3.38Å; I247-L251 PolarHBondContact O-N 3.3Å; L251-V253 PolarHBondContact O-N 2.81Å |
| 252 | T | 98.7 | Very high | 98.4 | Very high | 35 Ų | 35 | 44.7 Ų | 44.7 | 22% | 0.215 | 25% | 0.249 | C | C | . | . | trans | -72.6 | 122.4 | 171.6 | -69.8 | 0 | 0 | 0 | 0 | 109.9 | N248 L249 M250 S254 R257 R258 | N248-T252 PolarHBondContact O-N 2.83Å; N248-T252 PolarHBondContact O-OG1 3.13Å; L249-T252 PolarHBondContact O-OG1 3.36Å; M250-T252 PolarHBondContact O-N 2.8Å; T252-S254 VanDerWaalsContact C-N 3.34Å; T252-S254 PolarHBondContact O-N 2.94Å; T252-R257 HydrophobicContact CG2-CB 3.83Å; T252-R258 PolarHBondContact O-NE 3.03Å; T252-R258 PolarHBondContact O-NH2 2.87Å; T252-R258 VanDerWaalsContact O-NH2 3.12Å | ||
| 253 | V | 98.3 | Very high | 98.4 | Very high | 41 Ų | 41 | 46 Ų | 46 | 25% | 0.248 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -60.5 | -41.4 | -175 | 175.7 | 0 | 0 | 0 | 0 | 112.4 | P181 L251 P255 R258 | P181-V253 HydrophobicContact CB-CG1 4.11Å; P181-V253 HydrophobicContact CG-CG1 4.22Å; L251-V253 PolarHBondContact O-N 2.81Å; V253-P255 VanDerWaalsContact O-CD 3.31Å; V253-P255 WeakPolarHBondContact O-CD 3.21Å; V253-R258 PolarHBondContact O-NH2 2.94Å |
| 254 | S | 97.6 | Very high | 98.4 | Very high | 47 Ų | 47 | 46 Ų | 46 | 33% | 0.329 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -78.1 | 115.1 | 177.7 | -178.8 | 0 | 0 | 0 | 0 | 109.9 | T252 A256 R257 R258 | T252-S254 VanDerWaalsContact C-N 3.34Å; T252-S254 PolarHBondContact O-N 2.94Å; S254-A256 PolarHBondContact O-N 2.8Å; S254-R257 PolarHBondContact O-N 3.2Å; S254-R258 PolarHBondContact O-N 3.18Å; S254-R258 VanDerWaalsContact O-N 3.1Å |
| 255 | P | 97.2 | Very high | 98.4 | Very high | 50 Ų | 50 | 45.4 Ų | 45.4 | 33% | 0.325 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -60.7 | -30.8 | -178.8 | 22.1 | -32.5 | 0 | 0 | 0 | 112.8 | E182 A192 V253 R257 R258 | E182-P255 HydrophobicContact CG-CG 4.49Å; A192-P255 HydrophobicContact CB-CB 3.87Å; V253-P255 VanDerWaalsContact O-CD 3.31Å; V253-P255 WeakPolarHBondContact O-CD 3.21Å; P255-R257 VanDerWaalsContact C-N 3.27Å; P255-R257 PolarHBondContact O-N 2.87Å; P255-R258 PolarHBondContact O-N 2.93Å |
| 256 | A | 96.1 | Very high | 98.4 | Very high | 98 Ų | 98 | 49.3 Ų | 49.3 | 81% | 0.81 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -70.5 | -18.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | S254 | S254-A256 PolarHBondContact O-N 2.8Š|
| 257 | R | 98 | Very high | 98.4 | Very high | 204 Ų | 204 | 50.1 Ų | 50.1 | 77% | 0.77 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -105.5 | -7 | 176 | -57.2 | -174.7 | -159.9 | -179.9 | 4.5 | 112.7 | T252 S254 P255 | T252-R257 HydrophobicContact CG2-CB 3.83Å; S254-R257 PolarHBondContact O-N 3.2Å; P255-R257 VanDerWaalsContact C-N 3.27Å; P255-R257 PolarHBondContact O-N 2.87Å |
| 258 | R | 98.6 | Very high | 98.4 | Very high | 11 Ų | 11 | 52.5 Ų | 52.5 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -71.9 | 137.4 | 179.3 | -168 | -178.7 | -60.6 | 145.3 | 7.3 | 108.8 | E182 A192 M250 T252 V253 S254 P255 | E182-R258 IonicContact OE1-CZ 3.89Å; E182-R258 IonicContact OE1-NH1 2.77Å; E182-R258 PolarHBondContact OE1-NH1 2.88Å; E182-R258 IonicContact OE1-NH2 3.75Å; E182-R258 PolarHBondContact OE1-NH2 2.77Å; E182-R258 IonicContact OE2-CZ 3.13Å; E182-R258 IonicContact OE2-NH1 3.86Å; E182-R258 IonicContact OE2-NH2 3.04Å; E182-R258 PolarHBondContact OE2-NH2 3.47Å; A192-R258 VanDerWaalsContact C-NH1 3.26Å; A192-R258 WeakPolarHBondContact O-CD 3.45Å; A192-R258 PolarHBondContact O-NH1 3.32Å; M250-R258 WeakPolarHBondContact O-CD 3.44Å; M250-R258 VanDerWaalsContact O-CG 3.27Å; M250-R258 WeakPolarHBondContact O-CG 3.41Å; T252-R258 PolarHBondContact O-NE 3.03Å; T252-R258 PolarHBondContact O-NH2 2.87Å; T252-R258 VanDerWaalsContact O-NH2 3.12Å; V253-R258 PolarHBondContact O-NH2 2.94Å; S254-R258 PolarHBondContact O-N 3.18Å; S254-R258 VanDerWaalsContact O-N 3.1Å; P255-R258 PolarHBondContact O-N 2.93Å |
| 259 | I | 98.7 | Very high | 98.4 | Very high | 19 Ų | 19 | 49.3 Ų | 49.3 | 10% | 0.097 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 143.5 | 176.6 | -165.6 | 171 | 0 | 0 | 0 | 110.7 | V195 L246 L249 M250 E263 A264 | V195-I259 HydrophobicContact CG1-CG2 3.99Å; V195-I259 WeakPolarHBondContact CG1-O 3.08Å; L246-I259 HydrophobicContact CD1-CD1 4.29Å; L249-I259 HydrophobicContact CB-CB 3.97Å; L249-I259 HydrophobicContact CB-CD1 4.25Å; L249-I259 HydrophobicContact CB-CG2 3.9Å; L249-I259 HydrophobicContact CD1-CD1 4.1Å; L249-I259 WeakPolarHBondContact O-CG2 3.27Å; L249-I259 PolarHBondContact O-N 2.9Å; L249-I259 VanDerWaalsContact O-N 3.16Å; M250-I259 HydrophobicContact CB-CG2 4.48Å; M250-I259 HydrophobicContact CG-CG2 3.8Å; I259-E263 HydrophobicContact CD1-CB 3.97Å; I259-E263 HydrophobicContact CG1-CB 3.46Å; I259-E263 VanDerWaalsContact CG1-CB 3.46Å; I259-A264 HydrophobicContact CD1-CB 4.03Å; I259-A264 HydrophobicContact CG1-CB 4.35Å; I259-A264 HydrophobicContact CG2-CB 4.43Å |
| 260 | T | 98.6 | Very high | 98.4 | Very high | 68 Ų | 68 | 46.7 Ų | 46.7 | 42% | 0.417 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -81.9 | 160.4 | 172.2 | 63.7 | 0 | 0 | 0 | 0 | 111.1 | A262 E263 A264 | T260-A262 VanDerWaalsContact C-N 3.26Å; T260-A262 PolarHBondContact O-N 2.97Å; T260-E263 WeakPolarHBondContact CB-OE2 3.47Å; T260-E263 WeakPolarHBondContact CG2-OE2 3.45Å; T260-E263 PolarHBondContact N-OE2 2.71Å; T260-E263 PolarHBondContact O-N 2.84Å; T260-E263 WeakPolarHBondContact OG1-CB 3.35Å; T260-E263 WeakPolarHBondContact OG1-CG 3.35Å; T260-E263 PolarHBondContact OG1-N 3.16Å; T260-E263 PolarHBondContact OG1-OE2 2.9Å; T260-A264 WeakPolarHBondContact O-CB 3.5Å; T260-A264 PolarHBondContact O-N 3.32Å |
| 261 | A | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 2% | 0.017 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.3 | -39.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | I119 V122 N123 V195 E263 A264 L265 | I119-A261 HydrophobicContact CG2-CB 4.02Å; I119-A261 VanDerWaalsContact CG2-O 3.31Å; I119-A261 WeakPolarHBondContact CG2-O 3.25Å; V122-A261 HydrophobicContact CG1-CB 4.11Å; N123-A261 HydrophobicContact CB-CB 3.8Å; V195-A261 HydrophobicContact CG2-CB 4.34Å; A261-E263 PolarHBondContact O-N 3.04Å; A261-A264 PolarHBondContact O-N 2.78Å; A261-L265 WeakPolarHBondContact O-CG 3.19Å; A261-L265 PolarHBondContact O-N 3.43Å; A261-L265 VanDerWaalsContact O-N 3.12Å |
| 262 | A | 98.6 | Very high | 98.2 | Very high | 38 Ų | 38 | 53.3 Ų | 53.3 | 31% | 0.314 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.7 | -37.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | N123 T260 | N123-A262 WeakPolarHBondContact OD1-CB 3.22Å; N123-A262 PolarHBondContact OD1-N 3.04Å; T260-A262 VanDerWaalsContact C-N 3.26Å; T260-A262 PolarHBondContact O-N 2.97Å |
| 263 | E | 98.8 | Very high | 98.1 | Very high | 101 Ų | 101 | 53.9 Ų | 53.9 | 47% | 0.472 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -75.2 | -38.6 | 175.5 | -71.4 | 162.2 | 150.9 | 0 | 0 | 111.6 | I259 T260 A261 L265 K266 H267 | I259-E263 HydrophobicContact CD1-CB 3.97Å; I259-E263 HydrophobicContact CG1-CB 3.46Å; I259-E263 VanDerWaalsContact CG1-CB 3.46Å; T260-E263 WeakPolarHBondContact CB-OE2 3.47Å; T260-E263 WeakPolarHBondContact CG2-OE2 3.45Å; T260-E263 PolarHBondContact N-OE2 2.71Å; T260-E263 PolarHBondContact O-N 2.84Å; T260-E263 WeakPolarHBondContact OG1-CB 3.35Å; T260-E263 WeakPolarHBondContact OG1-CG 3.35Å; T260-E263 PolarHBondContact OG1-N 3.16Å; T260-E263 PolarHBondContact OG1-OE2 2.9Å; A261-E263 PolarHBondContact O-N 3.04Å; E263-L265 VanDerWaalsContact C-N 3.28Å; E263-L265 PolarHBondContact O-N 2.98Å; E263-K266 CarbonylContact O-C 3.49Å; E263-K266 WeakPolarHBondContact O-CA 3.37Å; E263-K266 WeakPolarHBondContact O-CB 3.4Å; E263-K266 PolarHBondContact O-N 3.34Å; E263-H267 PolarHBondContact O-N 3.39Å |
| 264 | A | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.8 | -37.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I119 L246 M250 I259 T260 A261 K266 H267 | I119-A264 HydrophobicContact CD1-CB 4.34Å; I119-A264 HydrophobicContact CG2-CB 4.14Å; L246-A264 HydrophobicContact CD1-CB 4.21Å; M250-A264 HydrophobicContact CE-CB 3.73Å; I259-A264 HydrophobicContact CD1-CB 4.03Å; I259-A264 HydrophobicContact CG1-CB 4.35Å; I259-A264 HydrophobicContact CG2-CB 4.43Å; T260-A264 WeakPolarHBondContact O-CB 3.5Å; T260-A264 PolarHBondContact O-N 3.32Å; A261-A264 PolarHBondContact O-N 2.78Å; A264-K266 PolarHBondContact O-N 3.14Å; A264-H267 WeakPolarHBondContact O-CB 3.41Å; A264-H267 PolarHBondContact O-N 3.02Å; A264-H267 VanDerWaalsContact O-N 3.09Å |
| 265 | L | 98.7 | Very high | 97.8 | Very high | 34 Ų | 34 | 66.4 Ų | 66.4 | 18% | 0.178 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -24 | 173.1 | -70.1 | 171.9 | 0 | 0 | 0 | 113.7 | Q116 I119 E120 N123 A261 E263 I270 | Q116-L265 HydrophobicContact CG-CD2 4.42Å; I119-L265 HydrophobicContact CB-CD2 3.77Å; I119-L265 HydrophobicContact CB-CG 4.27Å; I119-L265 HydrophobicContact CG2-CD1 4.32Å; I119-L265 HydrophobicContact CG2-CD2 3.69Å; I119-L265 HydrophobicContact CG2-CG 3.6Å; E120-L265 HydrophobicContact CG-CD1 4.11Å; E120-L265 HydrophobicContact CG-CD2 3.72Å; N123-L265 HydrophobicContact CB-CD1 4.01Å; A261-L265 WeakPolarHBondContact O-CG 3.19Å; A261-L265 PolarHBondContact O-N 3.43Å; A261-L265 VanDerWaalsContact O-N 3.12Å; E263-L265 VanDerWaalsContact C-N 3.28Å; E263-L265 PolarHBondContact O-N 2.98Å; L265-I270 HydrophobicContact CD2-CG2 4.45Å |
| 266 | K | 98.6 | Very high | 97.6 | Very high | 158 Ų | 158 | 65 Ų | 65 | 69% | 0.687 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -4.8 | 177.6 | -61.6 | 172.6 | -174.9 | 173.9 | 0 | 112.6 | E263 A264 C271 | E263-K266 CarbonylContact O-C 3.49Å; E263-K266 WeakPolarHBondContact O-CA 3.37Å; E263-K266 WeakPolarHBondContact O-CB 3.4Å; E263-K266 PolarHBondContact O-N 3.34Å; A264-K266 PolarHBondContact O-N 3.14Å; K266-C271 PolarHBondContact O-SG 2.98Å |
| 267 | H | 98.7 | Very high | 97.4 | Very high | 17 Ų | 17 | 60.7 Ų | 60.7 | 8% | 0.079 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -65 | 138.4 | 179.6 | -172.8 | -88.7 | 0 | 0 | 0 | 110.6 | E242 N245 L246 E263 A264 W269 I270 C271 | E242-H267 PolarHBondContact O-CE1 3.43Å; N245-H267 PolarHBondContact OD1-NE2 3.22Å; N245-H267 VanDerWaalsContact OD1-NE2 3.12Å; L246-H267 HydrophobicContact CD1-CB 3.85Å; E263-H267 PolarHBondContact O-N 3.39Å; A264-H267 WeakPolarHBondContact O-CB 3.41Å; A264-H267 PolarHBondContact O-N 3.02Å; A264-H267 VanDerWaalsContact O-N 3.09Å; H267-W269 VanDerWaalsContact C-N 3.26Å; H267-W269 WeakPolarHBondContact ND1-CB 3.39Å; H267-W269 PolarHBondContact ND1-N 3.28Å; H267-W269 PolarHBondContact O-N 3.05Å; H267-W269 VanDerWaalsContact O-N 3.13Å; H267-I270 WeakPolarHBondContact O-CA 3.36Å; H267-I270 PolarHBondContact O-N 3.37Å; H267-C271 PolarHBondContact O-N 2.84Å; H267-C271 PolarHBondContact O-SG 2.91Å; H267-C271 VanDerWaalsContact O-SG 3.35Å |
| 268 | P | 98.3 | Very high | 97.1 | Very high | 51 Ų | 51 | 52.3 Ų | 52.3 | 33% | 0.331 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -52.9 | -38.1 | -175.9 | -30.1 | 36 | 0 | 0 | 0 | 114.8 | I270 Q272 V276 | P268-I270 PolarHBondContact O-N 3.43Å; P268-Q272 CarbonylContact O-C 3.54Å; P268-Q272 VanDerWaalsContact O-CA 3.32Å; P268-Q272 WeakPolarHBondContact O-CA 3.39Å; P268-Q272 WeakPolarHBondContact O-CB 3.41Å; P268-Q272 PolarHBondContact O-N 3.22Å; P268-V276 HydrophobicContact CB-CG2 4.43Å |
| 269 | W | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.9 | -23.2 | 177.3 | -167.2 | 81.1 | 0 | 0 | 0 | 113.8 | E108 A111 S112 M115 L202 L206 T240 E242 A243 L246 H267 | E108-W269 HydrophobicContact CB-CZ2 4.1Å; E108-W269 WeakPolarHBondContact O-CZ2 3.33Å; E108-W269 PolarHBondContact OE2-NE1 3.34Å; A111-W269 HydrophobicContact CB-CH2 3.98Å; A111-W269 HydrophobicContact CB-CZ2 4.32Å; S112-W269 VanDerWaalsContact CA-CZ3 3.44Å; S112-W269 WeakPolarHBondContact CB-O 3.42Å; S112-W269 VanDerWaalsContact N-CH2 3.33Å; S112-W269 PolarHBondContact OG-O 3.19Å; M115-W269 HydrophobicContact CB-CZ3 4.3Å; M115-W269 HydrophobicContact CG-CZ3 4.46Å; L202-W269 HydrophobicContact CD1-CE3 4.45Å; L202-W269 HydrophobicContact CD1-CH2 3.34Å; L202-W269 HydrophobicContact CD1-CZ2 4.26Å; L202-W269 HydrophobicContact CD1-CZ3 3.46Å; L202-W269 VanDerWaalsContact CD1-CZ3 3.46Å; L202-W269 HydrophobicContact CD2-CZ3 4.31Å; L206-W269 HydrophobicContact CD2-CH2 4.26Å; L206-W269 HydrophobicContact CD2-CZ2 3.86Å; T240-W269 PolarHBondContact OG1-NE1 3.23Å; E242-W269 HydrophobicContact CB-CB 4.02Å; A243-W269 HydrophobicContact CB-CD2 4.24Å; A243-W269 HydrophobicContact CB-CG 4.26Å; A243-W269 HydrophobicContact CB-CZ2 4.26Å; L246-W269 HydrophobicContact CD2-CE3 3.76Å; L246-W269 HydrophobicContact CD2-CZ3 4.38Å; H267-W269 VanDerWaalsContact C-N 3.26Å; H267-W269 WeakPolarHBondContact ND1-CB 3.39Å; H267-W269 PolarHBondContact ND1-N 3.28Å; H267-W269 PolarHBondContact O-N 3.05Å; H267-W269 VanDerWaalsContact O-N 3.13Å |
| 270 | I | 98.5 | Very high | 96.5 | Very high | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -94.3 | -55.3 | 174.9 | -61 | -64.5 | 0 | 0 | 0 | 111 | M115 Q116 I119 L246 L265 H267 P268 | M115-I270 HydrophobicContact CB-CD1 4.07Å; Q116-I270 HydrophobicContact CB-CG2 3.98Å; Q116-I270 HydrophobicContact CG-CG2 4.03Å; I119-I270 HydrophobicContact CD1-CD1 4.11Å; I119-I270 HydrophobicContact CD1-CG1 4.36Å; L246-I270 HydrophobicContact CD2-CD1 4.05Å; L246-I270 HydrophobicContact CD2-CG1 3.76Å; L265-I270 HydrophobicContact CD2-CG2 4.45Å; H267-I270 WeakPolarHBondContact O-CA 3.36Å; H267-I270 PolarHBondContact O-N 3.37Å; P268-I270 PolarHBondContact O-N 3.43Å |
| 271 | C | 97.2 | Very high | 96.2 | Very high | 66 Ų | 66 | 61 Ų | 61 | 45% | 0.446 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -85.7 | -13 | -169.7 | 71.1 | 0 | 0 | 0 | 0 | 114.7 | K266 H267 | K266-C271 PolarHBondContact O-SG 2.98Å; H267-C271 PolarHBondContact O-N 2.84Å; H267-C271 PolarHBondContact O-SG 2.91Å; H267-C271 VanDerWaalsContact O-SG 3.35Å |
| 272 | Q | 96.9 | Very high | 96 | Very high | 78 Ų | 78 | 61.8 Ų | 61.8 | 36% | 0.364 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.9 | 34.5 | 175.9 | -56.7 | 179.3 | 13.7 | 0 | 0 | 110.6 | P268 E274 R275 V276 | P268-Q272 CarbonylContact O-C 3.54Å; P268-Q272 VanDerWaalsContact O-CA 3.32Å; P268-Q272 WeakPolarHBondContact O-CA 3.39Å; P268-Q272 WeakPolarHBondContact O-CB 3.41Å; P268-Q272 PolarHBondContact O-N 3.22Å; Q272-E274 VanDerWaalsContact C-N 3.25Å; Q272-E274 PolarHBondContact O-N 2.75Å; Q272-E274 VanDerWaalsContact O-N 3.15Å; Q272-R275 HydrophobicContact CB-CB 4.49Å; Q272-R275 WeakPolarHBondContact O-CB 3.42Å; Q272-R275 PolarHBondContact O-N 2.86Å; Q272-V276 HydrophobicContact CB-CG2 3.95Å; Q272-V276 WeakPolarHBondContact O-CG2 3.31Å; Q272-V276 PolarHBondContact O-N 3.35Å |
| 273 | R | 96.6 | Very high | 95.6 | Very high | 46 Ų | 46 | 64.5 Ų | 64.5 | 17% | 0.174 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -47.7 | -43.6 | -174.8 | 173.8 | 172.4 | 14.9 | 78.4 | 0.2 | 113.2 | A109 S112 R275 V276 A277 | A109-R273 HydrophobicContact CB-CG 4.08Å; A109-R273 WeakPolarHBondContact O-CD 3.28Å; S112-R273 WeakPolarHBondContact OG-CD 3.35Å; R273-R275 PolarHBondContact O-N 3.16Å; R273-V276 PolarHBondContact O-N 3.1Å; R273-A277 HydrophobicContact CG-CB 4.02Å; R273-A277 WeakPolarHBondContact O-CB 3.3Å; R273-A277 PolarHBondContact O-N 3.18Å |
| 274 | E | 93.9 | Very high | 95.2 | Very high | 142 Ų | 142 | 65.6 Ų | 65.6 | 66% | 0.664 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -66.1 | -23 | -178.2 | -57.8 | 73.7 | -158.1 | 0 | 0 | 113.2 | Q272 | Q272-E274 VanDerWaalsContact C-N 3.25Å; Q272-E274 PolarHBondContact O-N 2.75Å; Q272-E274 VanDerWaalsContact O-N 3.15Å |
| 275 | R | 95 | Very high | 95 | Very high | 209 Ų | 209 | 65.8 Ų | 65.8 | 79% | 0.789 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -94.6 | -36.2 | 179.8 | 179.8 | -176.7 | 178 | -170.4 | 1.8 | 112.3 | Q272 R273 | Q272-R275 HydrophobicContact CB-CB 4.49Å; Q272-R275 WeakPolarHBondContact O-CB 3.42Å; Q272-R275 PolarHBondContact O-N 2.86Å; R273-R275 PolarHBondContact O-N 3.16Å |
| 276 | V | 94.3 | Very high | 94.6 | Very high | 21 Ų | 21 | 64.7 Ų | 64.7 | 13% | 0.127 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -112.3 | -38.6 | -162.7 | -169.6 | 0 | 0 | 0 | 0 | 112.6 | T240 E242 P268 Q272 R273 | T240-V276 WeakPolarHBondContact CG2-O 3.4Å; E242-V276 HydrophobicContact CB-CG1 3.5Å; E242-V276 VanDerWaalsContact CB-CG1 3.5Å; E242-V276 HydrophobicContact CG-CG1 3.34Å; P268-V276 HydrophobicContact CB-CG2 4.43Å; Q272-V276 HydrophobicContact CB-CG2 3.95Å; Q272-V276 WeakPolarHBondContact O-CG2 3.31Å; Q272-V276 PolarHBondContact O-N 3.35Å; R273-V276 PolarHBondContact O-N 3.1Å |
| 277 | A | 91.2 | Very high | 94.2 | Very high | 8 Ų | 8 | 62.2 Ų | 62.2 | 7% | 0.066 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -77.7 | 131.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | E108 A109 R273 L279 | E108-A277 HydrophobicContact CB-CB 4.11Å; A109-A277 HydrophobicContact CB-CB 4.23Å; R273-A277 HydrophobicContact CG-CB 4.02Å; R273-A277 WeakPolarHBondContact O-CB 3.3Å; R273-A277 PolarHBondContact O-N 3.18Å; A277-L279 PolarHBondContact O-N 3.49Å |
| 278 | S | 91.2 | Very high | 93.9 | Very high | 28 Ų | 28 | 62.8 Ų | 62.8 | 20% | 0.196 | 31% | 0.312 | C | S | . | . | trans | -62.4 | 132.6 | 179 | -177.9 | 0 | 0 | 0 | 0 | 112.2 | S107 E108 A109 V280 | S107-S278 WeakPolarHBondContact CB-O 3.46Å; E108-S278 PolarHBondContact N-O 3.44Å; E108-S278 VanDerWaalsContact N-O 3.13Å; A109-S278 PolarHBondContact N-O 2.85Å; S278-V280 VanDerWaalsContact C-N 3.3Å; S278-V280 WeakPolarHBondContact OG-CB 3.41Å; S278-V280 WeakPolarHBondContact OG-CG2 3.5Å; S278-V280 PolarHBondContact OG-N 3.4Å; S278-V280 VanDerWaalsContact OG-N 3.14Å | ||
| 279 | L | 92.3 | Very high | 93.6 | Very high | 122 Ų | 122 | 60.4 Ų | 60.4 | 64% | 0.639 | 30% | 0.296 | S | S | * | . | trans | -90 | 8.9 | 169.7 | -66.8 | 173 | 0 | 0 | 0 | 112.3 | F105 A109 A277 | F105-L279 VanDerWaalsContact CZ-O 3.29Å; F105-L279 WeakPolarHBondContact CZ-O 3.43Å; A109-L279 HydrophobicContact CB-CD2 3.67Å; A277-L279 PolarHBondContact O-N 3.49Å | ||
| 280 | V | 92.6 | Very high | 93.2 | Very high | 100 Ų | 100 | 67.2 Ų | 67.2 | 61% | 0.606 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -74.1 | 135.5 | 178.1 | 178.7 | 0 | 0 | 0 | 0 | 109.4 | S278 R282 | S278-V280 VanDerWaalsContact C-N 3.3Å; S278-V280 WeakPolarHBondContact OG-CB 3.41Å; S278-V280 WeakPolarHBondContact OG-CG2 3.5Å; S278-V280 PolarHBondContact OG-N 3.4Å; S278-V280 VanDerWaalsContact OG-N 3.14Å; V280-R282 PolarHBondContact O-N 3.41Å |
| 281 | H | 93.8 | Very high | 92.7 | Very high | 57 Ų | 57 | 74.3 Ų | 74.3 | 26% | 0.264 | 36% | 0.357 | S | S | . | . | trans | -64.4 | 129.7 | 175.6 | -174.3 | 34.1 | 0 | 0 | 0 | 111.3 | F105 Y106 Q283 | F105-H281 HydrophobicContact CD2-CB 3.77Å; F105-H281 AromaticContact CD2-CG 3.84Å; F105-H281 AromaticContact CD2-ND1 3.87Å; F105-H281 HydrophobicContact CE2-CB 3.56Å; F105-H281 HydrophobicContact CZ-CB 4.38Å; Y106-H281 PolarHBondContact N-CE1 3.16Å; Y106-H281 PolarHBondContact N-ND1 2.89Å; Y106-H281 VanDerWaalsContact N-ND1 3.17Å; Y106-H281 WeakPolarHBondContact O-CA 3.37Å; Y106-H281 PolarHBondContact O-ND1 3.24Å; H281-Q283 PolarHBondContact NE2-OE1 3.04Å; H281-Q283 VanDerWaalsContact NE2-OE1 3.07Å | ||
| 282 | R | 92.9 | Very high | 92.3 | Very high | 20 Ų | 20 | 72.5 Ų | 72.5 | 8% | 0.075 | 34% | 0.341 | C | S | . | . | trans | -104.8 | 67.4 | -179.8 | -58.3 | -173.8 | 66.8 | 74.5 | 3.6 | 111.8 | Y106 L206 E235 T238 V239 V280 E284 T285 V286 | Y106-R282 PolarHBondContact O-N 2.68Å; L206-R282 PolarHBondContact O-NE 3.41Å; L206-R282 PolarHBondContact O-NH2 3.43Å; E235-R282 PolarHBondContact O-NH2 3.12Å; T238-R282 PolarHBondContact OG1-NH1 3.16Å; V239-R282 VanDerWaalsContact CG2-NH2 3.29Å; V280-R282 PolarHBondContact O-N 3.41Å; R282-E284 PolarHBondContact O-N 3.03Å; R282-T285 PolarHBondContact NE-OG1 3.38Å; R282-T285 WeakPolarHBondContact O-CB 3.34Å; R282-T285 PolarHBondContact O-N 2.89Å; R282-V286 PolarHBondContact O-N 3.28Å | ||
| 283 | Q | 91.2 | Very high | 91.8 | Very high | 94 Ų | 94 | 69 Ų | 69 | 44% | 0.439 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58 | -44.5 | -178 | -175.5 | 62.7 | 67.4 | 0 | 0 | 112.7 | H281 T285 V286 E287 | H281-Q283 PolarHBondContact NE2-OE1 3.04Å; H281-Q283 VanDerWaalsContact NE2-OE1 3.07Å; Q283-T285 VanDerWaalsContact C-N 3.29Å; Q283-T285 PolarHBondContact O-N 3.44Å; Q283-V286 WeakPolarHBondContact O-CB 3.34Å; Q283-V286 PolarHBondContact O-N 3.5Å; Q283-V286 VanDerWaalsContact O-N 3.12Å; Q283-E287 PolarHBondContact O-N 3.28Å; Q283-E287 VanDerWaalsContact O-N 3.16Å |
| 284 | E | 91 | Very high | 91.2 | Very high | 124 Ų | 124 | 68.8 Ų | 68.8 | 58% | 0.579 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -61.4 | -37.9 | 178.7 | -65.5 | 176.4 | 178.2 | 0 | 0 | 112.1 | R282 V286 E287 C288 | R282-E284 PolarHBondContact O-N 3.03Å; E284-V286 VanDerWaalsContact C-N 3.34Å; E284-V286 PolarHBondContact O-N 3.35Å; E284-E287 PolarHBondContact O-N 3.19Å; E284-C288 PolarHBondContact O-N 2.97Å |
| 285 | T | 92.8 | Very high | 90.7 | Very high | 5 Ų | 5 | 67.4 Ų | 67.4 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.4 | -41.8 | 174.7 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | Y106 L206 R282 Q283 E287 C288 L289 | Y106-T285 HydrophobicContact CD1-CG2 4.47Å; Y106-T285 HydrophobicContact CE1-CG2 4.16Å; L206-T285 VanDerWaalsContact C-CG2 3.5Å; L206-T285 VanDerWaalsContact O-CG2 3.28Å; L206-T285 WeakPolarHBondContact O-CG2 3.27Å; L206-T285 PolarHBondContact O-OG1 3.32Å; R282-T285 PolarHBondContact NE-OG1 3.38Å; R282-T285 WeakPolarHBondContact O-CB 3.34Å; R282-T285 PolarHBondContact O-N 2.89Å; Q283-T285 VanDerWaalsContact C-N 3.29Å; Q283-T285 PolarHBondContact O-N 3.44Å; T285-E287 VanDerWaalsContact C-N 3.33Å; T285-E287 PolarHBondContact O-N 3.29Å; T285-C288 PolarHBondContact O-N 3.31Å; T285-L289 HydrophobicContact CG2-CD1 4.09Å; T285-L289 HydrophobicContact CG2-CG 4.43Å; T285-L289 WeakPolarHBondContact O-CB 3.16Å; T285-L289 WeakPolarHBondContact O-CG 3.48Å; T285-L289 PolarHBondContact O-N 3.25Å |
| 286 | V | 91.9 | Very high | 90.3 | Very high | 10 Ų | 10 | 58.2 Ų | 58.2 | 6% | 0.061 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 177.6 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | Y106 R282 Q283 E284 L289 K290 | Y106-V286 HydrophobicContact CD1-CG2 4.3Å; Y106-V286 HydrophobicContact CG-CG2 4.44Å; R282-V286 PolarHBondContact O-N 3.28Å; Q283-V286 WeakPolarHBondContact O-CB 3.34Å; Q283-V286 PolarHBondContact O-N 3.5Å; Q283-V286 VanDerWaalsContact O-N 3.12Å; E284-V286 VanDerWaalsContact C-N 3.34Å; E284-V286 PolarHBondContact O-N 3.35Å; V286-L289 PolarHBondContact O-N 3.41Å; V286-K290 PolarHBondContact O-N 3.23Å |
| 287 | E | 90.4 | Very high | 89.8 | Confident | 107 Ų | 107 | 61.9 Ų | 61.9 | 50% | 0.5 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66 | -41.9 | 175.6 | -66.4 | -179.3 | -175.1 | 0 | 0 | 112.9 | Q283 E284 T285 K290 K291 | Q283-E287 PolarHBondContact O-N 3.28Å; Q283-E287 VanDerWaalsContact O-N 3.16Å; E284-E287 PolarHBondContact O-N 3.19Å; T285-E287 VanDerWaalsContact C-N 3.33Å; T285-E287 PolarHBondContact O-N 3.29Å; E287-K290 WeakPolarHBondContact O-CB 3.38Å; E287-K290 PolarHBondContact O-N 3.4Å; E287-K291 PolarHBondContact O-N 3.19Å |
| 288 | C | 91.4 | Very high | 89.2 | Confident | 29 Ų | 29 | 63.3 Ų | 63.3 | 20% | 0.196 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 174 | -74.9 | 0 | 0 | 0 | 0 | 111.6 | V207 G208 E284 T285 K290 K291 F292 | V207-C288 VanDerWaalsContact O-CB 3.22Å; V207-C288 WeakPolarHBondContact O-CB 3.39Å; G208-C288 CarbonylContact O-C 3.59Å; E284-C288 PolarHBondContact O-N 2.97Å; T285-C288 PolarHBondContact O-N 3.31Å; C288-K290 VanDerWaalsContact C-N 3.28Å; C288-K290 PolarHBondContact O-N 3.2Å; C288-K291 WeakPolarHBondContact O-CB 3.48Å; C288-K291 PolarHBondContact O-N 2.81Å; C288-K291 VanDerWaalsContact O-N 3.15Å; C288-F292 WeakPolarHBondContact O-CB 3.45Å; C288-F292 PolarHBondContact O-N 3.47Å |
| 289 | L | 91.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.8 | -37.8 | 175.4 | -78.9 | 171 | 0 | 0 | 0 | 112.2 | F97 I100 V101 Y106 I204 T285 V286 F292 N293 | F97-L289 HydrophobicContact CD1-CD2 3.71Å; F97-L289 HydrophobicContact CE1-CD2 3.93Å; I100-L289 HydrophobicContact CG2-CD1 3.56Å; V101-L289 HydrophobicContact CG2-CB 3.67Å; Y106-L289 HydrophobicContact CE1-CD1 4.46Å; I204-L289 HydrophobicContact CG2-CD2 3.91Å; T285-L289 HydrophobicContact CG2-CD1 4.09Å; T285-L289 HydrophobicContact CG2-CG 4.43Å; T285-L289 WeakPolarHBondContact O-CB 3.16Å; T285-L289 WeakPolarHBondContact O-CG 3.48Å; T285-L289 PolarHBondContact O-N 3.25Å; V286-L289 PolarHBondContact O-N 3.41Å; L289-F292 WeakPolarHBondContact O-CB 3.38Å; L289-F292 PolarHBondContact O-N 3Å; L289-N293 WeakPolarHBondContact O-CB 3.33Å; L289-N293 PolarHBondContact O-N 3.37Å |
| 290 | K | 91.2 | Very high | 87.4 | Confident | 143 Ų | 143 | 62.8 Ų | 62.8 | 62% | 0.622 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -60.2 | -46 | 174.9 | -172.7 | 177.4 | -178.5 | 177.1 | 0 | 111.7 | V101 V286 E287 C288 N293 A294 | V101-K290 HydrophobicContact CG1-CB 3.83Å; V101-K290 HydrophobicContact CG1-CD 4.39Å; V101-K290 HydrophobicContact CG1-CG 3.99Å; V101-K290 HydrophobicContact CG2-CB 4.33Å; V286-K290 PolarHBondContact O-N 3.23Å; E287-K290 WeakPolarHBondContact O-CB 3.38Å; E287-K290 PolarHBondContact O-N 3.4Å; C288-K290 VanDerWaalsContact C-N 3.28Å; C288-K290 PolarHBondContact O-N 3.2Å; K290-N293 PolarHBondContact O-N 3.01Å; K290-A294 PolarHBondContact O-N 3.21Å; K290-A294 VanDerWaalsContact O-N 3.12Å |
| 291 | K | 87.9 | Confident | 86.5 | Confident | 152 Ų | 152 | 60.1 Ų | 60.1 | 66% | 0.661 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63.8 | -42.1 | 175.8 | -65.4 | 174.4 | -175.4 | 169.3 | 0 | 111.3 | E287 C288 A294 R295 | E287-K291 PolarHBondContact O-N 3.19Å; C288-K291 WeakPolarHBondContact O-CB 3.48Å; C288-K291 PolarHBondContact O-N 2.81Å; C288-K291 VanDerWaalsContact O-N 3.15Å; K291-A294 PolarHBondContact O-N 3.13Å; K291-R295 PolarHBondContact O-N 2.92Å; K291-R295 VanDerWaalsContact O-N 3.07Å |
| 292 | F | 89 | Confident | 85.4 | Confident | 27 Ų | 27 | 58.9 Ų | 58.9 | 12% | 0.118 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.4 | -48.4 | 176.7 | 170.2 | -95 | 0 | 0 | 0 | 112.3 | F97 P137 I204 G208 C288 L289 A294 R295 R296 | F97-F292 HydrophobicContact CD1-CD1 4.35Å; F97-F292 HydrophobicContact CD1-CE1 4.04Å; F97-F292 HydrophobicContact CE1-CE1 4.24Å; P137-F292 HydrophobicContact CG-CE1 3.94Å; P137-F292 HydrophobicContact CG-CZ 4.02Å; I204-F292 HydrophobicContact CD1-CE2 4.05Å; I204-F292 HydrophobicContact CD1-CZ 3.83Å; I204-F292 HydrophobicContact CG1-CE2 4.47Å; I204-F292 HydrophobicContact CG2-CD1 4.01Å; I204-F292 HydrophobicContact CG2-CD2 4.23Å; I204-F292 HydrophobicContact CG2-CE1 3.86Å; I204-F292 HydrophobicContact CG2-CE2 4.09Å; I204-F292 HydrophobicContact CG2-CG 4.19Å; I204-F292 HydrophobicContact CG2-CZ 3.91Å; G208-F292 VanDerWaalsContact O-CB 3.24Å; G208-F292 WeakPolarHBondContact O-CB 3.48Å; C288-F292 WeakPolarHBondContact O-CB 3.45Å; C288-F292 PolarHBondContact O-N 3.47Å; L289-F292 WeakPolarHBondContact O-CB 3.38Å; L289-F292 PolarHBondContact O-N 3Å; F292-A294 PolarHBondContact O-N 3.43Å; F292-R295 PolarHBondContact O-N 2.95Å; F292-R296 VanDerWaalsContact O-CB 3.23Å; F292-R296 WeakPolarHBondContact O-CB 3.38Å; F292-R296 PolarHBondContact O-N 3.33Å |
| 293 | N | 86.9 | Confident | 84.2 | Confident | 4 Ų | 4 | 62.4 Ų | 62.4 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 178 | -85.6 | -19.5 | 0 | 0 | 0 | 112.3 | F97 E98 V101 L289 K290 R295 R296 K297 | F97-N293 WeakPolarHBondContact CB-OD1 3.4Å; F97-N293 PolarHBondContact O-ND2 3.05Å; E98-N293 WeakPolarHBondContact OE1-CB 3.49Å; E98-N293 PolarHBondContact OE1-ND2 3.08Å; V101-N293 WeakPolarHBondContact CG2-ND2 3.38Å; L289-N293 WeakPolarHBondContact O-CB 3.33Å; L289-N293 PolarHBondContact O-N 3.37Å; K290-N293 PolarHBondContact O-N 3.01Å; N293-R295 PolarHBondContact O-N 3.15Å; N293-R296 PolarHBondContact O-N 3.4Å; N293-R296 PolarHBondContact OD1-NE 3.02Å; N293-R296 PolarHBondContact OD1-NH2 3.27Å; N293-K297 WeakPolarHBondContact O-CB 3.17Å; N293-K297 PolarHBondContact O-N 3.37Å |
| 294 | A | 83.8 | Confident | 83.1 | Confident | 42 Ų | 42 | 61 Ų | 61 | 35% | 0.347 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.5 | -47.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | K290 K291 F292 R296 L298 | K290-A294 PolarHBondContact O-N 3.21Å; K290-A294 VanDerWaalsContact O-N 3.12Å; K291-A294 PolarHBondContact O-N 3.13Å; F292-A294 PolarHBondContact O-N 3.43Å; A294-R296 PolarHBondContact O-N 3.08Å; A294-L298 PolarHBondContact O-N 3.45Å; A294-L298 VanDerWaalsContact O-N 3.15Å |
| 295 | R | 83.7 | Confident | 81.9 | Confident | 114 Ų | 114 | 57.4 Ų | 57.4 | 43% | 0.43 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 178.3 | -171.9 | 176.8 | -159.6 | 161.3 | 13.2 | 112.3 | K291 F292 N293 L298 K299 | K291-R295 PolarHBondContact O-N 2.92Å; K291-R295 VanDerWaalsContact O-N 3.07Å; F292-R295 PolarHBondContact O-N 2.95Å; N293-R295 PolarHBondContact O-N 3.15Å; R295-L298 PolarHBondContact O-N 3.37Å; R295-K299 WeakPolarHBondContact O-CG 3.3Å; R295-K299 PolarHBondContact O-N 3.34Å |
| 296 | R | 86.6 | Confident | 80.7 | Confident | 16 Ų | 16 | 60.2 Ų | 60.2 | 6% | 0.06 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.5 | -48 | -179 | 175.7 | -179.1 | 68.1 | 79 | -4.4 | 111.7 | E95 E98 E138 F292 N293 A294 L298 K299 G300 | E95-R296 IonicContact OE2-CZ 3.98Å; E95-R296 IonicContact OE2-NH1 3.73Å; E95-R296 PolarHBondContact OE2-NH1 2.8Å; E95-R296 IonicContact OE2-NH2 3.42Å; E95-R296 PolarHBondContact OE2-NH2 3.37Å; E98-R296 IonicContact OE1-NH2 3.4Å; E98-R296 PolarHBondContact OE1-NH2 2.94Å; E138-R296 VanDerWaalsContact CD-NH1 3.32Å; E138-R296 WeakPolarHBondContact OE1-CD 3.44Å; E138-R296 WeakPolarHBondContact OE1-CG 3.44Å; E138-R296 IonicContact OE1-CZ 3.36Å; E138-R296 IonicContact OE1-NE 2.85Å; E138-R296 IonicContact OE1-NH1 3.06Å; E138-R296 PolarHBondContact OE1-NH1 2.94Å; F292-R296 VanDerWaalsContact O-CB 3.23Å; F292-R296 WeakPolarHBondContact O-CB 3.38Å; F292-R296 PolarHBondContact O-N 3.33Å; N293-R296 PolarHBondContact O-N 3.4Å; N293-R296 PolarHBondContact OD1-NE 3.02Å; N293-R296 PolarHBondContact OD1-NH2 3.27Å; A294-R296 PolarHBondContact O-N 3.08Å; R296-L298 VanDerWaalsContact C-N 3.33Å; R296-L298 PolarHBondContact O-N 2.79Å; R296-K299 PolarHBondContact O-N 2.71Å; R296-G300 PolarHBondContact O-N 2.87Å |
| 297 | K | 83.5 | Confident | 79.4 | Confident | 98 Ų | 98 | 63.1 Ų | 63.1 | 43% | 0.426 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.6 | -42 | 176.7 | -78.9 | -179.1 | 170 | 171.1 | 0 | 112 | E98 N293 G300 A301 | E98-K297 WeakPolarHBondContact OE1-CE 3.41Å; E98-K297 IonicContact OE1-NZ 3.12Å; E98-K297 PolarHBondContact OE1-NZ 3.44Å; E98-K297 IonicContact OE2-NZ 3.73Å; E98-K297 PolarHBondContact OE2-NZ 3.04Å; N293-K297 WeakPolarHBondContact O-CB 3.17Å; N293-K297 PolarHBondContact O-N 3.37Å; K297-G300 PolarHBondContact O-N 2.76Å; K297-A301 WeakPolarHBondContact O-CB 3.44Å; K297-A301 PolarHBondContact O-N 3.44Å |
| 298 | L | 78 | Confident | 78.1 | Confident | 38 Ų | 38 | 60.2 Ų | 60.2 | 20% | 0.199 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.9 | -50.3 | 174.5 | 178.8 | 62.3 | 0 | 0 | 0 | 111.4 | A294 R295 R296 G300 A301 I302 H492 H494 | A294-L298 PolarHBondContact O-N 3.45Å; A294-L298 VanDerWaalsContact O-N 3.15Å; R295-L298 PolarHBondContact O-N 3.37Å; R296-L298 VanDerWaalsContact C-N 3.33Å; R296-L298 PolarHBondContact O-N 2.79Å; L298-G300 VanDerWaalsContact C-N 3.32Å; L298-G300 PolarHBondContact O-N 3.28Å; L298-A301 PolarHBondContact O-N 3.39Å; L298-I302 HydrophobicContact CD1-CD1 4.03Å; L298-I302 HydrophobicContact CD1-CG1 4.41Å; L298-I302 HydrophobicContact CG-CD1 3.98Å; L298-I302 VanDerWaalsContact O-CG1 3.25Å; L298-I302 WeakPolarHBondContact O-CG1 3.3Å; L298-I302 PolarHBondContact O-N 3.39Å; L298-I302 VanDerWaalsContact O-N 3.08Å; L298-H492 WeakPolarHBondContact CD1-NE2 3.42Å; L298-H494 HydrophobicContact CD1-CB 4.45Å; L298-H494 HydrophobicContact CD2-CB 4.46Å |
| 299 | K | 74.9 | Confident | 76.6 | Confident | 110 Ų | 110 | 60.1 Ų | 60.1 | 48% | 0.478 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.7 | -42.7 | 176.7 | -76.4 | -174 | 168.4 | -157.6 | 0 | 112.5 | R295 R296 I302 L303 | R295-K299 WeakPolarHBondContact O-CG 3.3Å; R295-K299 PolarHBondContact O-N 3.34Å; R296-K299 PolarHBondContact O-N 2.71Å; K299-I302 PolarHBondContact O-N 3.06Å; K299-L303 WeakPolarHBondContact O-CB 3.46Å; K299-L303 PolarHBondContact O-N 3.22Å |
| 300 | G | 70.9 | Confident | 74.9 | Confident | 29 Ų | 29 | 67.4 Ų | 67.4 | 30% | 0.299 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R296 K297 L298 L303 T304 | R296-G300 PolarHBondContact O-N 2.87Å; K297-G300 PolarHBondContact O-N 2.76Å; L298-G300 VanDerWaalsContact C-N 3.32Å; L298-G300 PolarHBondContact O-N 3.28Å; G300-L303 PolarHBondContact O-N 3.03Å; G300-T304 WeakPolarHBondContact O-CB 3.33Å; G300-T304 PolarHBondContact O-N 2.92Å; G300-T304 PolarHBondContact O-OG1 3.48Å |
| 301 | A | 72.8 | Confident | 72.7 | Confident | 43 Ų | 43 | 64.3 Ų | 64.3 | 36% | 0.355 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | K297 L298 T304 T305 | K297-A301 WeakPolarHBondContact O-CB 3.44Å; K297-A301 PolarHBondContact O-N 3.44Å; L298-A301 PolarHBondContact O-N 3.39Å; A301-T304 PolarHBondContact O-N 3.07Å; A301-T305 WeakPolarHBondContact O-CB 3.5Å; A301-T305 PolarHBondContact O-N 2.78Å; A301-T305 PolarHBondContact O-OG1 3.35Å |
| 302 | I | 71.1 | Confident | 70.1 | Confident | 32 Ų | 32 | 64 Ų | 64 | 16% | 0.164 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.3 | -51.5 | 175.6 | -68.7 | 170 | 0 | 0 | 0 | 110.3 | L298 K299 T304 T305 M306 M447 V479 | L298-I302 HydrophobicContact CD1-CD1 4.03Å; L298-I302 HydrophobicContact CD1-CG1 4.41Å; L298-I302 HydrophobicContact CG-CD1 3.98Å; L298-I302 VanDerWaalsContact O-CG1 3.25Å; L298-I302 WeakPolarHBondContact O-CG1 3.3Å; L298-I302 PolarHBondContact O-N 3.39Å; L298-I302 VanDerWaalsContact O-N 3.08Å; K299-I302 PolarHBondContact O-N 3.06Å; I302-T304 VanDerWaalsContact C-N 3.35Å; I302-T304 PolarHBondContact O-N 2.87Å; I302-T305 PolarHBondContact O-N 2.84Å; I302-M306 HydrophobicContact CG2-SD 4.41Å; I302-M306 WeakPolarHBondContact O-CG 3.38Å; I302-M306 PolarHBondContact O-N 3.46Å; I302-M447 HydrophobicContact CG2-CE 3.21Å; I302-M447 HydrophobicContact CG2-SD 4.39Å; I302-V479 HydrophobicContact CD1-CG2 4.33Å; I302-V479 HydrophobicContact CG1-CG2 4.06Å |
| 303 | L | 68.9 | Low | 67.3 | Low | 93 Ų | 93 | 65.8 Ų | 65.8 | 49% | 0.487 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.2 | -43.2 | -179.6 | -179.9 | 61.7 | 0 | 0 | 0 | 112 | K299 G300 T305 M306 L307 | K299-L303 WeakPolarHBondContact O-CB 3.46Å; K299-L303 PolarHBondContact O-N 3.22Å; G300-L303 PolarHBondContact O-N 3.03Å; L303-T305 VanDerWaalsContact C-N 3.32Å; L303-T305 PolarHBondContact O-N 3.36Å; L303-M306 WeakPolarHBondContact O-CB 3.49Å; L303-M306 PolarHBondContact O-N 2.98Å; L303-L307 HydrophobicContact CD1-CD1 4.35Å; L303-L307 HydrophobicContact CD1-CG 4.36Å; L303-L307 HydrophobicContact CG-CD1 4.18Å; L303-L307 WeakPolarHBondContact O-CG 3.48Å; L303-L307 PolarHBondContact O-N 2.86Å |
| 304 | T | 66.5 | Low | 64.6 | Low | 65 Ų | 65 | 71.3 Ų | 71.3 | 40% | 0.399 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61 | -43.2 | 177.7 | -58.9 | 0 | 0 | 0 | 0 | 111.1 | G300 A301 I302 L307 A308 | G300-T304 WeakPolarHBondContact O-CB 3.33Å; G300-T304 PolarHBondContact O-N 2.92Å; G300-T304 PolarHBondContact O-OG1 3.48Å; A301-T304 PolarHBondContact O-N 3.07Å; I302-T304 VanDerWaalsContact C-N 3.35Å; I302-T304 PolarHBondContact O-N 2.87Å; T304-L307 PolarHBondContact O-N 2.92Å; T304-A308 WeakPolarHBondContact O-CB 3.36Å; T304-A308 PolarHBondContact O-N 2.78Å |
| 305 | T | 67.7 | Low | 62 | Low | 49 Ų | 49 | 72.4 Ų | 72.4 | 30% | 0.301 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.7 | -45.4 | 176.7 | -55.3 | 0 | 0 | 0 | 0 | 111.2 | A301 I302 L303 L307 A308 T309 V491 | A301-T305 WeakPolarHBondContact O-CB 3.5Å; A301-T305 PolarHBondContact O-N 2.78Å; A301-T305 PolarHBondContact O-OG1 3.35Å; I302-T305 PolarHBondContact O-N 2.84Å; L303-T305 VanDerWaalsContact C-N 3.32Å; L303-T305 PolarHBondContact O-N 3.36Å; T305-L307 PolarHBondContact O-N 2.77Å; T305-A308 PolarHBondContact O-N 2.83Å; T305-T309 HydrophobicContact CG2-CG2 4.34Å; T305-T309 WeakPolarHBondContact O-CG2 3.43Å; T305-T309 PolarHBondContact O-N 2.92Å; T305-T309 PolarHBondContact O-OG1 3.29Å; T305-V491 HydrophobicContact CG2-CG2 4.31Å |
| 306 | M | 65.8 | Low | 59.3 | Low | 63 Ų | 63 | 76.9 Ų | 76.9 | 31% | 0.31 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -58.8 | -44.2 | 175.7 | -68.3 | 176.4 | 75.2 | 0 | 0 | 112.7 | I302 L303 T309 R310 M447 | I302-M306 HydrophobicContact CG2-SD 4.41Å; I302-M306 WeakPolarHBondContact O-CG 3.38Å; I302-M306 PolarHBondContact O-N 3.46Å; L303-M306 WeakPolarHBondContact O-CB 3.49Å; L303-M306 PolarHBondContact O-N 2.98Å; M306-T309 PolarHBondContact O-N 2.83Å; M306-T309 PolarHBondContact O-OG1 3.35Å; M306-R310 WeakPolarHBondContact O-CB 3.39Å; M306-R310 PolarHBondContact O-N 2.86Å; M306-M447 HydrophobicContact CE-CB 3.86Å; M306-M447 HydrophobicContact CE-CE 3.98Å; M306-M447 HydrophobicContact CG-CE 3.59Å; M306-M447 HydrophobicContact SD-CB 4.48Å; M306-M447 HydrophobicContact SD-CE 3.09Å; M306-M447 WeakPolarHBondContact SD-CE 3.13Å |
| 307 | L | 64.3 | Low | 56.3 | Low | 71 Ų | 71 | 79.4 Ų | 79.4 | 37% | 0.372 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -67 | -39.1 | 179.8 | -71.6 | 173.4 | 0 | 0 | 0 | 111.5 | A22 L303 T304 T305 | A22-L307 HydrophobicContact CB-CB 4.33Å; L303-L307 HydrophobicContact CD1-CD1 4.35Å; L303-L307 HydrophobicContact CD1-CG 4.36Å; L303-L307 HydrophobicContact CG-CD1 4.18Å; L303-L307 WeakPolarHBondContact O-CG 3.48Å; L303-L307 PolarHBondContact O-N 2.86Å; T304-L307 PolarHBondContact O-N 2.92Å; T305-L307 PolarHBondContact O-N 2.77Å |
| 308 | A | 63.2 | Low | 53.5 | Low | 47 Ų | 47 | 81.8 Ų | 81.8 | 39% | 0.388 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.9 | -36.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T304 T305 | T304-A308 WeakPolarHBondContact O-CB 3.36Å; T304-A308 PolarHBondContact O-N 2.78Å; T305-A308 PolarHBondContact O-N 2.83Å |
| 309 | T | 61.7 | Low | 51.1 | Low | 26 Ų | 26 | 86.1 Ų | 86.1 | 16% | 0.16 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -82.5 | -28.5 | -178 | 56.4 | 0 | 0 | 0 | 0 | 113.8 | T305 M306 N311 F312 V481 | T305-T309 HydrophobicContact CG2-CG2 4.34Å; T305-T309 WeakPolarHBondContact O-CG2 3.43Å; T305-T309 PolarHBondContact O-N 2.92Å; T305-T309 PolarHBondContact O-OG1 3.29Å; M306-T309 PolarHBondContact O-N 2.83Å; M306-T309 PolarHBondContact O-OG1 3.35Å; T309-N311 PolarHBondContact O-N 3Å; T309-N311 VanDerWaalsContact O-N 3.13Å; T309-F312 WeakPolarHBondContact O-CB 3.1Å; T309-F312 PolarHBondContact O-N 3.46Å; T309-V481 HydrophobicContact CG2-CG1 4.06Å; T309-V481 HydrophobicContact CG2-CG2 4.32Å |
| 310 | R | 53.8 | Low | 48.8 | Very low | 153 Ų | 153 | 86.9 Ų | 86.9 | 58% | 0.577 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.8 | -25.3 | 180 | -167.8 | 176.4 | 126.6 | 136.8 | 2.6 | 113.9 | M306 F312 S313 | M306-R310 WeakPolarHBondContact O-CB 3.39Å; M306-R310 PolarHBondContact O-N 2.86Å; R310-F312 PolarHBondContact O-N 2.82Å; R310-S313 PolarHBondContact O-OG 3.4Å |
| 311 | N | 44.9 | Very low | 46.5 | Very low | 78 Ų | 78 | 89.1 Ų | 89.1 | 42% | 0.417 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -75.8 | -8.1 | 176.1 | -70.4 | -28.7 | 0 | 0 | 0 | 114.1 | F23 T309 | F23-N311 WeakPolarHBondContact CE1-ND2 3.36Å; F23-N311 WeakPolarHBondContact CZ-ND2 3.09Å; T309-N311 PolarHBondContact O-N 3Å; T309-N311 VanDerWaalsContact O-N 3.13Å |
| 312 | F | 33.6 | Very low | 44.1 | Very low | 147 Ų | 147 | 92.4 Ų | 92.4 | 65% | 0.645 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -86 | -21.7 | 174.6 | -84.9 | -89 | 0 | 0 | 0 | 113.3 | T309 R310 | T309-F312 WeakPolarHBondContact O-CB 3.1Å; T309-F312 PolarHBondContact O-N 3.46Å; R310-F312 PolarHBondContact O-N 2.82Å |
| 313 | S | 31.6 | Very low | 41.8 | Very low | 63 Ų | 63 | 100 Ų | 100 | 44% | 0.441 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -89.4 | -20.1 | -176.5 | 56.1 | 0 | 0 | 0 | 0 | 114.5 | R310 G315 | R310-S313 PolarHBondContact O-OG 3.4Å; S313-G315 PolarHBondContact O-N 2.98Å |
| 314 | T | 29.5 | Very low | 39.6 | Very low | 120 Ų | 120 | 101.9 Ų | 101.9 | 74% | 0.736 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | 12.4 | 177.1 | 50.9 | 0 | 0 | 0 | 0 | 114.7 | ||
| 315 | G | 29.5 | Very low | 37.4 | Very low | 65 Ų | 65 | 104.3 Ų | 104.3 | 67% | 0.67 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 5.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | S313 | S313-G315 PolarHBondContact O-N 2.98Š|
| 316 | R | 25.9 | Very low | 35.5 | Very low | 209 Ų | 209 | 108.2 Ų | 108.2 | 79% | 0.789 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -127.9 | 105 | -178.8 | -81.5 | -176.3 | 174.8 | 174.1 | -2.5 | 113.4 | ||
| 317 | G | 25.2 | Very low | 33.5 | Very low | 68 Ų | 68 | 111.4 Ų | 111.4 | 70% | 0.701 | 67% | 0.67 | S | S | * | * | 94.5 | 56.5 | 129.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | V319 | G317-V319 PolarHBondContact O-N 3.44Š| |||
| 318 | T | 25 | Very low | 31.4 | Very low | 148 Ų | 148 | 117.9 Ų | 117.9 | 91% | 0.908 | 70% | 0.695 | S | S | * | * | trans | -79.9 | 98.8 | 149.8 | 36.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 319 | V | 26.4 | Very low | 29.4 | Very low | 129 Ų | 129 | 125.7 Ų | 125.7 | 78% | 0.782 | 72% | 0.721 | S | S | * | * | trans | -60.5 | 130.8 | 166.9 | -166.9 | 0 | 0 | 0 | 0 | 107.9 | G317 G321 | G317-V319 PolarHBondContact O-N 3.44Å; V319-G321 PolarHBondContact O-N 3.24Å | ||
| 320 | P | 26.6 | Very low | 27.4 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 83% | 0.825 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -79.3 | 120.2 | -173.4 | 29.9 | -31.6 | 0 | 0 | 0 | 110.4 | ||
| 321 | G | 22 | Very low | 26 | Very low | 75 Ų | 75 | 130.3 Ų | 130.3 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | 153.1 | 80.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | V319 | V319-G321 PolarHBondContact O-N 3.24Š| ||
| 322 | S | 23.1 | Very low | 24.8 | Very low | 112 Ų | 112 | 134.9 Ų | 134.9 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | trans | -161.4 | 101.5 | 142.9 | -173.6 | 0 | 0 | 0 | 0 | 109.1 | T324 | S322-T324 PolarHBondContact O-N 3.46Š| ||
| 323 | H | 21.9 | Very low | 24.3 | Very low | 191 Ų | 191 | 131.2 Ų | 131.2 | 88% | 0.884 | 79% | 0.792 | S | S | * | * | trans | -67.3 | 118.6 | 167.4 | -79.9 | -93.6 | 0 | 0 | 0 | 109.3 | ||||
| 324 | T | 23.4 | Very low | 23.9 | Very low | 133 Ų | 133 | 135.8 Ų | 135.8 | 82% | 0.816 | 81% | 0.81 | S | S | * | * | trans | -141.9 | 107.7 | 146.8 | 32.3 | 0 | 0 | 0 | 0 | 110.1 | S322 | S322-T324 PolarHBondContact O-N 3.46Š| ||
| 325 | S | 20.3 | Very low | 23.7 | Very low | 117 Ų | 117 | 139.7 Ų | 139.7 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -72.1 | 125.5 | 169.6 | 49.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 326 | V | 28.2 | Very low | 23.4 | Very low | 130 Ų | 130 | 144.5 Ų | 144.5 | 79% | 0.788 | 82% | 0.822 | S | S | * | * | trans | -142.6 | 99.8 | 155.4 | -176.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 327 | T | 23.6 | Very low | 23.6 | Very low | 131 Ų | 131 | 139 Ų | 139 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | 26.4 | 119 | 143.7 | 29.8 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 328 | K | 19.8 | Very low | 23.8 | Very low | 207 Ų | 207 | 140.6 Ų | 140.6 | 90% | 0.9 | 82% | 0.816 | S | S | * | * | trans | -29.5 | 132.8 | 148.3 | -81.2 | 171.5 | 168.5 | 174 | 0 | 115 | ||||
| 329 | K | 22.4 | Very low | 24.3 | Very low | 211 Ų | 211 | 135.5 Ų | 135.5 | 92% | 0.917 | 78% | 0.783 | S | S | * | * | trans | -131.6 | 123.2 | 143 | -107.2 | -178.4 | 178.6 | 179.1 | 0 | 109.5 | ||||
| 330 | S | 19.8 | Very low | 24.5 | Very low | 109 Ų | 109 | 132.8 Ų | 132.8 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | -73 | 134.9 | 172.6 | 46.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 331 | N | 23.1 | Very low | 24.7 | Very low | 167 Ų | 167 | 129.2 Ų | 129.2 | 89% | 0.893 | 75% | 0.748 | S | S | * | * | trans | -152.8 | 125.9 | 146.2 | -102.4 | -3.5 | 0 | 0 | 0 | 109 | ||||
| 332 | D | 20.1 | Very low | 25.3 | Very low | 174 Ų | 174 | 128.3 Ų | 128.3 | 93% | 0.93 | 73% | 0.727 | S | S | * | * | trans | -63.4 | 146.6 | 172 | -74 | -52.2 | 0 | 0 | 0 | 111.7 | ||||
| 333 | G | 22 | Very low | 25.7 | Very low | 69 Ų | 69 | 125.8 Ų | 125.8 | 71% | 0.711 | 71% | 0.713 | S | S | * | * | trans | 136.3 | 106.7 | 161.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 334 | I | 24.2 | Very low | 26.1 | Very low | 160 Ų | 160 | 118.5 Ų | 118.5 | 82% | 0.821 | 68% | 0.682 | S | S | * | * | trans | 69 | 110.2 | 161.9 | -50.9 | 173.2 | 0 | 0 | 0 | 115.1 | E336 | I334-E336 VanDerWaalsContact C-N 3.3Å; I334-E336 PolarHBondContact O-N 3.43Å | ||
| 335 | K | 24.3 | Very low | 26.2 | Very low | 201 Ų | 201 | 118.5 Ų | 118.5 | 87% | 0.874 | 67% | 0.674 | S | S | * | * | trans | -71.5 | 78.8 | -179.5 | -157.4 | 179.3 | -172.3 | -178.2 | 0 | 110 | S337 | K335-S337 PolarHBondContact O-N 2.96Å; K335-S337 VanDerWaalsContact O-N 3.15Å | ||
| 336 | E | 24.2 | Very low | 26.6 | Very low | 167 Ų | 167 | 118.5 Ų | 118.5 | 78% | 0.78 | 66% | 0.662 | S | S | * | * | trans | -61.8 | 110.5 | 167.4 | -73.9 | -176 | 164.9 | 0 | 0 | 109.2 | I334 S338 | I334-E336 VanDerWaalsContact C-N 3.3Å; I334-E336 PolarHBondContact O-N 3.43Å; E336-S338 VanDerWaalsContact C-N 3.26Å; E336-S338 PolarHBondContact O-N 2.8Å | ||
| 337 | S | 29.6 | Very low | 26.6 | Very low | 92 Ų | 92 | 119 Ų | 119 | 64% | 0.643 | 66% | 0.659 | S | S | * | * | trans | -79.8 | 80.9 | 169.4 | -60 | 0 | 0 | 0 | 0 | 107.8 | K335 D339 | K335-S337 PolarHBondContact O-N 2.96Å; K335-S337 VanDerWaalsContact O-N 3.15Å; S337-D339 PolarHBondContact O-N 2.78Å | ||
| 338 | S | 29.3 | Very low | 26.8 | Very low | 103 Ų | 103 | 117.2 Ų | 117.2 | 72% | 0.72 | 65% | 0.652 | S | S | * | * | trans | -65.7 | 96.7 | 173.6 | -85.8 | 0 | 0 | 0 | 0 | 110.1 | E336 S340 | E336-S338 VanDerWaalsContact C-N 3.26Å; E336-S338 PolarHBondContact O-N 2.8Å; S338-S340 PolarHBondContact O-N 2.83Å | ||
| 339 | D | 35.4 | Very low | 27.5 | Very low | 40 Ų | 40 | 110.9 Ų | 110.9 | 21% | 0.214 | 64% | 0.639 | C | S | . | * | trans | -93.2 | 58 | -172.3 | -123.9 | -17 | 0 | 0 | 0 | 111.3 | R51 R58 S337 | R51-D339 IonicContact CZ-OD1 2.91Å; R51-D339 IonicContact NE-OD1 3.48Å; R51-D339 PolarHBondContact NE-OD1 2.76Å; R51-D339 VanDerWaalsContact NH2-CA 3.26Å; R51-D339 PolarHBondContact NH2-O 2.79Å; R51-D339 IonicContact NH2-OD1 3Å; R51-D339 PolarHBondContact NH2-OD1 3.24Å; R58-D339 IonicContact CZ-OD2 3.01Å; R58-D339 IonicContact NH1-OD2 3.32Å; R58-D339 PolarHBondContact NH1-OD2 2.83Å; R58-D339 IonicContact NH2-OD2 2.72Å; S337-D339 PolarHBondContact O-N 2.78Å | ||
| 340 | S | 31.6 | Very low | 27.9 | Very low | 72 Ų | 72 | 107.7 Ų | 107.7 | 50% | 0.503 | 63% | 0.632 | S | S | . | * | trans | -100.7 | 85.2 | 174.1 | -169.8 | 0 | 0 | 0 | 0 | 113.8 | R51 S338 E346 | R51-S340 PolarHBondContact NH1-O 3.41Å; S338-S340 PolarHBondContact O-N 2.83Å; S340-E346 PolarHBondContact OG-OE2 3.09Å | ||
| 341 | S | 30.6 | Very low | 28.3 | Very low | 52 Ų | 52 | 108.3 Ų | 108.3 | 36% | 0.364 | 63% | 0.626 | S | S | . | * | trans | -164.3 | 49.4 | 168.5 | 77.1 | 0 | 0 | 0 | 0 | 107.9 | R51 K55 | R51-S341 PolarHBondContact NE-OG 3.18Å; R51-S341 PolarHBondContact NH1-OG 3.11Å; R51-S341 PolarHBondContact NH2-OG 3.43Å; K55-S341 PolarHBondContact NZ-O 2.97Å; K55-S341 PolarHBondContact NZ-OG 2.89Å; K55-S341 VanDerWaalsContact NZ-OG 3.11Å | ||
| 342 | T | 34 | Very low | 28.6 | Very low | 57 Ų | 57 | 109.2 Ų | 109.2 | 35% | 0.35 | 62% | 0.622 | S | S | . | * | S | Bend | trans | -119.7 | 95.4 | 146.1 | -48.8 | 0 | 0 | 0 | 0 | 102.5 | V344 | T342-V344 VanDerWaalsContact C-N 3.32Å; T342-V344 PolarHBondContact O-N 2.81Å |
| 343 | A | 31.4 | Very low | 29 | Very low | 58 Ų | 58 | 110.5 Ų | 110.5 | 48% | 0.479 | 62% | 0.619 | S | S | . | * | trans | -69.7 | 90.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 344 | V | 30.6 | Very low | 29.2 | Very low | 39 Ų | 39 | 113.6 Ų | 113.6 | 24% | 0.236 | 62% | 0.618 | C | S | . | * | S | Bend | trans | -115.9 | 111 | 156.2 | -91.7 | 0 | 0 | 0 | 0 | 104.2 | F172 T342 E346 | F172-V344 HydrophobicContact CD1-CB 4.43Å; F172-V344 HydrophobicContact CD1-CG2 3.36Å; F172-V344 HydrophobicContact CE1-CB 4.04Å; F172-V344 HydrophobicContact CE1-CG2 3.35Å; T342-V344 VanDerWaalsContact C-N 3.32Å; T342-V344 PolarHBondContact O-N 2.81Å; V344-E346 PolarHBondContact O-N 3.45Å; V344-E346 VanDerWaalsContact O-N 3.14Å |
| 345 | M | 26.7 | Very low | 29.3 | Very low | 133 Ų | 133 | 111.9 Ų | 111.9 | 66% | 0.655 | 61% | 0.61 | S | S | * | * | trans | -4.9 | 95.3 | -179.7 | -63.3 | 179.4 | -108.8 | 0 | 0 | 114.9 | D347 | M345-D347 PolarHBondContact O-N 2.9Š| ||
| 346 | E | 27.1 | Very low | 29.6 | Very low | 117 Ų | 117 | 106.2 Ų | 106.2 | 55% | 0.547 | 60% | 0.601 | S | S | . | * | trans | -83.4 | 84.5 | 159.6 | -77.5 | -165.7 | 122.9 | 0 | 0 | 108.6 | S340 V344 S348 | S340-E346 PolarHBondContact OG-OE2 3.09Å; V344-E346 PolarHBondContact O-N 3.45Å; V344-E346 VanDerWaalsContact O-N 3.14Å; E346-S348 PolarHBondContact O-N 3.45Å; E346-S348 VanDerWaalsContact O-N 3.09Å | ||
| 347 | D | 28.4 | Very low | 29.8 | Very low | 139 Ų | 139 | 104.1 Ų | 104.1 | 74% | 0.743 | 60% | 0.603 | S | S | * | * | trans | -78.3 | 76.5 | 162.2 | -79.6 | -13.6 | 0 | 0 | 0 | 108.8 | M345 | M345-D347 PolarHBondContact O-N 2.9Š| ||
| 348 | S | 28 | Very low | 30.3 | Very low | 94 Ų | 94 | 104.5 Ų | 104.5 | 66% | 0.657 | 61% | 0.606 | S | S | * | * | trans | -165 | 104.6 | 165.8 | -158.3 | 0 | 0 | 0 | 0 | 113.5 | E346 | E346-S348 PolarHBondContact O-N 3.45Å; E346-S348 VanDerWaalsContact O-N 3.09Å | ||
| 349 | A | 34.9 | Very low | 30.6 | Very low | 75 Ų | 75 | 103.6 Ų | 103.6 | 62% | 0.62 | 60% | 0.596 | S | S | * | * | S | Bend | trans | 145.7 | -30.6 | 131.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 350 | D | 30.3 | Very low | 30.5 | Very low | 144 Ų | 144 | 106.3 Ų | 106.3 | 77% | 0.77 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -84.1 | -12.2 | -175.8 | -74.1 | -31.1 | 0 | 0 | 0 | 114.6 | K352 K353 | D350-K352 VanDerWaalsContact C-N 3.28Å; D350-K352 PolarHBondContact O-N 3.42Å; D350-K353 PolarHBondContact O-N 3.42Å |
| 351 | I | 28.4 | Very low | 30.9 | Very low | 122 Ų | 122 | 108.2 Ų | 108.2 | 63% | 0.626 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -69.4 | -24.2 | 177.7 | -61.6 | -175.2 | 0 | 0 | 0 | 112.3 | K353 L354 | I351-K353 VanDerWaalsContact C-N 3.26Å; I351-K353 PolarHBondContact O-N 2.96Å; I351-L354 PolarHBondContact O-N 2.76Å |
| 352 | K | 29.3 | Very low | 31 | Very low | 186 Ų | 186 | 113.6 Ų | 113.6 | 81% | 0.809 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -67.7 | -21.9 | -179 | -82.6 | -173 | 176.9 | -179.7 | 0 | 114 | D350 | D350-K352 VanDerWaalsContact C-N 3.28Å; D350-K352 PolarHBondContact O-N 3.42Å |
| 353 | K | 28.2 | Very low | 31.5 | Very low | 200 Ų | 200 | 113.2 Ų | 113.2 | 87% | 0.87 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -87.2 | -12.6 | 179 | -93.2 | -177.3 | 176.6 | 176.8 | 0 | 114.6 | D350 I351 | D350-K353 PolarHBondContact O-N 3.42Å; I351-K353 VanDerWaalsContact C-N 3.26Å; I351-K353 PolarHBondContact O-N 2.96Å |
| 354 | L | 26.4 | Very low | 32 | Very low | 134 Ų | 134 | 116.7 Ų | 116.7 | 70% | 0.702 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -103.6 | 2.9 | -175.5 | -105.3 | 148.3 | 0 | 0 | 0 | 114.3 | I351 A356 | I351-L354 PolarHBondContact O-N 2.76Å; L354-A356 PolarHBondContact O-N 2.78Å |
| 355 | L | 27 | Very low | 33.5 | Very low | 125 Ų | 125 | 118.3 Ų | 118.3 | 65% | 0.654 | 66% | 0.657 | S | S | * | * | trans | -74.9 | 29.2 | 177.7 | -86.5 | 157.4 | 0 | 0 | 0 | 114.4 | ||||
| 356 | A | 30.2 | Very low | 35.8 | Very low | 82 Ų | 82 | 114.7 Ų | 114.7 | 68% | 0.678 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -92.8 | 115.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | L354 S358 | L354-A356 PolarHBondContact O-N 2.78Å; A356-S358 PolarHBondContact O-N 3.2Å |
| 357 | C | 29.2 | Very low | 38.3 | Very low | 123 Ų | 123 | 112.1 Ų | 112.1 | 83% | 0.831 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46 | 119.5 | -173.2 | -74 | 0 | 0 | 0 | 0 | 115.8 | ||
| 358 | S | 38.7 | Very low | 40.8 | Very low | 99 Ų | 99 | 110.4 Ų | 110.4 | 69% | 0.692 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 164.5 | -16.9 | 143.1 | 45.8 | 0 | 0 | 0 | 0 | 111.8 | A356 | A356-S358 PolarHBondContact O-N 3.2Š|
| 359 | T | 35.5 | Very low | 43.5 | Very low | 84 Ų | 84 | 109 Ų | 109 | 52% | 0.515 | 62% | 0.615 | S | S | . | * | S | Bend | trans | -80.2 | -22.7 | -176.7 | -40.7 | 0 | 0 | 0 | 0 | 114.3 | V361 K362 A363 | T359-V361 PolarHBondContact O-N 3.18Å; T359-K362 PolarHBondContact O-N 3.02Å; T359-A363 PolarHBondContact O-N 3.37Å; T359-A363 VanDerWaalsContact O-N 3.08Å |
| 360 | I | 34.5 | Very low | 46 | Very low | 98 Ų | 98 | 107.7 Ų | 107.7 | 50% | 0.503 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -60.9 | -42.4 | -173.6 | -63.8 | 175.6 | 0 | 0 | 0 | 112.2 | K362 A363 E364 | I360-K362 VanDerWaalsContact C-N 3.3Å; I360-K362 PolarHBondContact O-N 3.47Å; I360-A363 PolarHBondContact O-N 3.07Å; I360-E364 HydrophobicContact CG2-CG 4.44Å; I360-E364 PolarHBondContact O-N 2.98Å |
| 361 | V | 39 | Very low | 48.9 | Very low | 112 Ų | 112 | 103.8 Ų | 103.8 | 68% | 0.679 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.1 | -34.5 | -178.9 | -176.6 | 0 | 0 | 0 | 0 | 111.9 | T359 S365 | T359-V361 PolarHBondContact O-N 3.18Å; V361-S365 WeakPolarHBondContact O-CB 3.41Å; V361-S365 PolarHBondContact O-N 3.06Å; V361-S365 PolarHBondContact O-OG 2.87Å |
| 362 | K | 33.8 | Very low | 51.9 | Low | 164 Ų | 164 | 101.7 Ų | 101.7 | 71% | 0.713 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -74.2 | -34.9 | 175.6 | -73.9 | -175.8 | 178.1 | 176.8 | 0 | 112.6 | T359 I360 S365 S366 | T359-K362 PolarHBondContact O-N 3.02Å; I360-K362 VanDerWaalsContact C-N 3.3Å; I360-K362 PolarHBondContact O-N 3.47Å; K362-S365 WeakPolarHBondContact CA-OG 3.38Å; K362-S365 PolarHBondContact O-OG 3.45Å; K362-S365 VanDerWaalsContact O-OG 3.04Å; K362-S366 VanDerWaalsContact O-CB 3.3Å; K362-S366 WeakPolarHBondContact O-CB 3.41Å; K362-S366 PolarHBondContact O-N 3.08Å; K362-S366 VanDerWaalsContact O-N 3.09Å |
| 363 | A | 43.3 | Very low | 54.9 | Low | 50 Ų | 50 | 95.6 Ų | 95.6 | 41% | 0.413 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.9 | -45.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | T359 I360 S366 V367 | T359-A363 PolarHBondContact O-N 3.37Å; T359-A363 VanDerWaalsContact O-N 3.08Å; I360-A363 PolarHBondContact O-N 3.07Å; A363-S366 PolarHBondContact O-N 3.03Å; A363-V367 WeakPolarHBondContact O-CG2 3.4Å; A363-V367 PolarHBondContact O-N 3.41Å |
| 364 | E | 42 | Very low | 58.1 | Low | 130 Ų | 130 | 86.1 Ų | 86.1 | 61% | 0.607 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.6 | -45 | 178.2 | -73.9 | -177.6 | 167.6 | 0 | 0 | 112.1 | I360 S366 V367 E368 | I360-E364 HydrophobicContact CG2-CG 4.44Å; I360-E364 PolarHBondContact O-N 2.98Å; E364-S366 VanDerWaalsContact C-N 3.3Å; E364-S366 PolarHBondContact O-N 3.38Å; E364-V367 PolarHBondContact O-N 3.35Å; E364-E368 WeakPolarHBondContact O-CB 3.37Å; E364-E368 PolarHBondContact O-N 3.27Å |
| 365 | S | 62.4 | Low | 61.3 | Low | 73 Ų | 73 | 80.7 Ų | 80.7 | 51% | 0.51 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.1 | -35.6 | 174.8 | 52.3 | 0 | 0 | 0 | 0 | 113 | V361 K362 S369 | V361-S365 WeakPolarHBondContact O-CB 3.41Å; V361-S365 PolarHBondContact O-N 3.06Å; V361-S365 PolarHBondContact O-OG 2.87Å; K362-S365 WeakPolarHBondContact CA-OG 3.38Å; K362-S365 PolarHBondContact O-OG 3.45Å; K362-S365 VanDerWaalsContact O-OG 3.04Å; S365-S369 VanDerWaalsContact O-CB 3.23Å; S365-S369 WeakPolarHBondContact O-CB 3.43Å; S365-S369 PolarHBondContact O-N 2.85Å |
| 366 | S | 76.2 | Confident | 64.4 | Low | 57 Ų | 57 | 79.5 Ų | 79.5 | 40% | 0.399 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -68.3 | -42.6 | 174.7 | -177.4 | 0 | 0 | 0 | 0 | 112.3 | K362 A363 E364 K370 | K362-S366 VanDerWaalsContact O-CB 3.3Å; K362-S366 WeakPolarHBondContact O-CB 3.41Å; K362-S366 PolarHBondContact O-N 3.08Å; K362-S366 VanDerWaalsContact O-N 3.09Å; A363-S366 PolarHBondContact O-N 3.03Å; E364-S366 VanDerWaalsContact C-N 3.3Å; E364-S366 PolarHBondContact O-N 3.38Å; S366-K370 WeakPolarHBondContact O-CG 3.27Å; S366-K370 PolarHBondContact O-N 3.25Å; S366-K370 VanDerWaalsContact O-N 3.09Å |
| 367 | V | 79.5 | Confident | 67.5 | Low | 63 Ų | 63 | 75.9 Ų | 75.9 | 38% | 0.382 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.3 | -46 | 178.2 | 169.2 | 0 | 0 | 0 | 0 | 110.7 | A363 E364 K370 K371 L446 | A363-V367 WeakPolarHBondContact O-CG2 3.4Å; A363-V367 PolarHBondContact O-N 3.41Å; E364-V367 PolarHBondContact O-N 3.35Å; V367-K370 PolarHBondContact O-N 2.91Å; V367-K371 PolarHBondContact O-N 3.27Å; V367-L446 HydrophobicContact CG1-CD1 4Å |
| 368 | E | 80.1 | Confident | 70.7 | Confident | 104 Ų | 104 | 70 Ų | 70 | 49% | 0.486 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -68.1 | -37.8 | -179.4 | -156.7 | 56.7 | -144.5 | 0 | 0 | 111.7 | E364 K370 K371 Q372 | E364-E368 WeakPolarHBondContact O-CB 3.37Å; E364-E368 PolarHBondContact O-N 3.27Å; E368-K370 VanDerWaalsContact C-N 3.33Å; E368-K370 PolarHBondContact O-N 3.48Å; E368-K371 PolarHBondContact O-N 2.69Å; E368-K371 IonicContact OE2-NZ 3.86Å; E368-K371 PolarHBondContact OE2-NZ 3.3Å; E368-Q372 PolarHBondContact O-N 2.6Å |
| 369 | S | 83.8 | Confident | 73.3 | Confident | 64 Ų | 64 | 69.7 Ų | 69.7 | 45% | 0.448 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.7 | -44.3 | 172 | -175.3 | 0 | 0 | 0 | 0 | 112.1 | S365 Q372 D373 | S365-S369 VanDerWaalsContact O-CB 3.23Å; S365-S369 WeakPolarHBondContact O-CB 3.43Å; S365-S369 PolarHBondContact O-N 2.85Å; S369-Q372 WeakPolarHBondContact O-CB 3.45Å; S369-Q372 PolarHBondContact O-N 3.39Å; S369-D373 PolarHBondContact O-N 3.03Å |
| 370 | K | 87.9 | Confident | 76.1 | Confident | 48 Ų | 48 | 70.9 Ų | 70.9 | 21% | 0.209 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.9 | -40.5 | 176.9 | -73.7 | 177 | -176.9 | -179.3 | 0 | 112.3 | S366 V367 E368 Q372 D373 I374 L446 | S366-K370 WeakPolarHBondContact O-CG 3.27Å; S366-K370 PolarHBondContact O-N 3.25Å; S366-K370 VanDerWaalsContact O-N 3.09Å; V367-K370 PolarHBondContact O-N 2.91Å; E368-K370 VanDerWaalsContact C-N 3.33Å; E368-K370 PolarHBondContact O-N 3.48Å; K370-Q372 VanDerWaalsContact C-N 3.28Å; K370-Q372 PolarHBondContact O-N 2.96Å; K370-D373 WeakPolarHBondContact O-CB 3.47Å; K370-D373 PolarHBondContact O-N 3.38Å; K370-I374 WeakPolarHBondContact O-CG1 3.32Å; K370-I374 PolarHBondContact O-N 3.07Å; K370-L446 HydrophobicContact CB-CD1 3.97Å; K370-L446 HydrophobicContact CB-CD2 4.3Å; K370-L446 HydrophobicContact CD-CD1 4.24Å |
| 371 | K | 91.4 | Very high | 79 | Confident | 61 Ų | 61 | 66.2 Ų | 66.2 | 27% | 0.265 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.8 | -42.3 | 174.7 | -69.2 | -178.9 | -176 | 166.6 | 0 | 110.9 | V367 E368 D373 I374 I375 V444 L446 | V367-K371 PolarHBondContact O-N 3.27Å; E368-K371 PolarHBondContact O-N 2.69Å; E368-K371 IonicContact OE2-NZ 3.86Å; E368-K371 PolarHBondContact OE2-NZ 3.3Å; K371-D373 VanDerWaalsContact C-N 3.31Å; K371-D373 PolarHBondContact O-N 3.5Å; K371-I374 PolarHBondContact O-N 3.28Å; K371-I375 WeakPolarHBondContact O-CG1 3.31Å; K371-I375 PolarHBondContact O-N 2.85Å; K371-I375 VanDerWaalsContact O-N 3.09Å; K371-V444 HydrophobicContact CB-CB 4.06Å; K371-V444 HydrophobicContact CB-CG1 4.21Å; K371-V444 HydrophobicContact CB-CG2 4.38Å; K371-V444 HydrophobicContact CD-CB 4.38Å; K371-V444 HydrophobicContact CG-CB 3.92Å; K371-V444 HydrophobicContact CG-CG1 3.95Å; K371-L446 HydrophobicContact CG-CG 4.38Å |
| 372 | Q | 90.8 | Very high | 81.4 | Confident | 79 Ų | 79 | 61.1 Ų | 61.1 | 37% | 0.369 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.8 | -33.4 | 176.6 | -159.9 | 67.3 | 16.7 | 0 | 0 | 112.7 | E368 S369 K370 I375 R376 | E368-Q372 PolarHBondContact O-N 2.6Å; S369-Q372 WeakPolarHBondContact O-CB 3.45Å; S369-Q372 PolarHBondContact O-N 3.39Å; K370-Q372 VanDerWaalsContact C-N 3.28Å; K370-Q372 PolarHBondContact O-N 2.96Å; Q372-I375 PolarHBondContact O-N 3.19Å; Q372-R376 WeakPolarHBondContact O-CB 3.42Å; Q372-R376 WeakPolarHBondContact O-CG 3.14Å; Q372-R376 PolarHBondContact O-N 3.16Å |
| 373 | D | 92.8 | Very high | 83.9 | Confident | 58 Ų | 58 | 56 Ų | 56 | 31% | 0.31 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.3 | -41.8 | 172.2 | -73.9 | -30.5 | 0 | 0 | 0 | 112.4 | S369 K370 K371 R376 A377 | S369-D373 PolarHBondContact O-N 3.03Å; K370-D373 WeakPolarHBondContact O-CB 3.47Å; K370-D373 PolarHBondContact O-N 3.38Å; K371-D373 VanDerWaalsContact C-N 3.31Å; K371-D373 PolarHBondContact O-N 3.5Å; D373-R376 PolarHBondContact O-N 3.23Å; D373-R376 IonicContact OD1-CZ 3.66Å; D373-R376 IonicContact OD1-NE 3.02Å; D373-R376 IonicContact OD1-NH2 2.8Å; D373-R376 PolarHBondContact OD1-NH2 3.39Å; D373-A377 WeakPolarHBondContact O-CB 3.43Å; D373-A377 PolarHBondContact O-N 3.38Å |
| 374 | I | 95.1 | Very high | 86 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.3 | -41.1 | 178.4 | -60.7 | -59.1 | 0 | 0 | 0 | 111.5 | K370 K371 A377 T378 V444 A452 I454 W480 W488 | K370-I374 WeakPolarHBondContact O-CG1 3.32Å; K370-I374 PolarHBondContact O-N 3.07Å; K371-I374 PolarHBondContact O-N 3.28Å; I374-A377 PolarHBondContact O-N 3Å; I374-T378 WeakPolarHBondContact O-CB 3.39Å; I374-T378 PolarHBondContact O-N 2.91Å; I374-T378 PolarHBondContact O-OG1 3.32Å; I374-V444 HydrophobicContact CB-CG1 4.06Å; I374-V444 HydrophobicContact CB-CG2 4.36Å; I374-V444 HydrophobicContact CG1-CG1 4.15Å; I374-V444 HydrophobicContact CG2-CG1 4.12Å; I374-V444 HydrophobicContact CG2-CG2 4.29Å; I374-A452 HydrophobicContact CD1-CB 3.57Å; I374-A452 HydrophobicContact CG1-CB 3.59Å; I374-A452 HydrophobicContact CG2-CB 4.42Å; I374-I454 HydrophobicContact CG2-CB 3.87Å; I374-I454 HydrophobicContact CG2-CD1 4.28Å; I374-I454 HydrophobicContact CG2-CG2 4.02Å; I374-W480 HydrophobicContact CD1-CB 4.1Å; I374-W480 HydrophobicContact CD1-CG 4.44Å; I374-W480 HydrophobicContact CG2-CG 4.41Å; I374-W488 HydrophobicContact CD1-CD2 3.5Å; I374-W488 VanDerWaalsContact CD1-CD2 3.5Å; I374-W488 VanDerWaalsContact CD1-CE2 3.43Å; I374-W488 HydrophobicContact CD1-CE3 3.61Å; I374-W488 HydrophobicContact CD1-CG 4.19Å; I374-W488 HydrophobicContact CD1-CH2 3.65Å; I374-W488 HydrophobicContact CD1-CZ2 3.53Å; I374-W488 HydrophobicContact CD1-CZ3 3.68Å; I374-W488 HydrophobicContact CG1-CZ2 4.45Å |
| 375 | I | 93.6 | Very high | 88.1 | Confident | 20 Ų | 20 | 47.7 Ų | 47.7 | 10% | 0.103 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.5 | -51 | 174.7 | -67.4 | 171.2 | 0 | 0 | 0 | 109.3 | K371 Q372 A377 T378 E379 I439 P442 V444 I454 | K371-I375 WeakPolarHBondContact O-CG1 3.31Å; K371-I375 PolarHBondContact O-N 2.85Å; K371-I375 VanDerWaalsContact O-N 3.09Å; Q372-I375 PolarHBondContact O-N 3.19Å; I375-A377 PolarHBondContact O-N 2.89Å; I375-T378 WeakPolarHBondContact O-CB 3.46Å; I375-T378 PolarHBondContact O-N 3.19Å; I375-T378 VanDerWaalsContact O-N 3.14Å; I375-E379 WeakPolarHBondContact O-CG 3.48Å; I375-E379 PolarHBondContact O-N 3.14Å; I375-I439 HydrophobicContact CG2-CD1 3.98Å; I375-P442 HydrophobicContact CD1-CB 4.23Å; I375-P442 HydrophobicContact CD1-CG 3.94Å; I375-P442 HydrophobicContact CG1-CB 4.12Å; I375-P442 HydrophobicContact CG1-CG 4.25Å; I375-V444 HydrophobicContact CD1-CG2 4.2Å; I375-V444 HydrophobicContact CG1-CG2 3.8Å; I375-I454 HydrophobicContact CG1-CD1 4.01Å |
| 376 | R | 93.7 | Very high | 89 | Confident | 101 Ų | 101 | 45.7 Ų | 45.7 | 38% | 0.381 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.8 | -45.8 | 177.6 | -77.4 | -172.2 | -72.5 | -100.4 | 0.5 | 113.1 | Q372 D373 T378 E379 Q380 | Q372-R376 WeakPolarHBondContact O-CB 3.42Å; Q372-R376 WeakPolarHBondContact O-CG 3.14Å; Q372-R376 PolarHBondContact O-N 3.16Å; D373-R376 PolarHBondContact O-N 3.23Å; D373-R376 IonicContact OD1-CZ 3.66Å; D373-R376 IonicContact OD1-NE 3.02Å; D373-R376 IonicContact OD1-NH2 2.8Å; D373-R376 PolarHBondContact OD1-NH2 3.39Å; R376-T378 VanDerWaalsContact C-N 3.26Å; R376-T378 PolarHBondContact O-N 3.42Å; R376-E379 PolarHBondContact O-N 2.94Å; R376-Q380 WeakPolarHBondContact O-CB 3.36Å; R376-Q380 VanDerWaalsContact O-CG 3.27Å; R376-Q380 WeakPolarHBondContact O-CG 3.34Å; R376-Q380 PolarHBondContact O-N 3.14Å |
| 377 | A | 95.1 | Very high | 89.2 | Confident | 5 Ų | 5 | 46.8 Ų | 46.8 | 4% | 0.041 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.3 | -38.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | D373 I374 I375 L381 W480 W488 | D373-A377 WeakPolarHBondContact O-CB 3.43Å; D373-A377 PolarHBondContact O-N 3.38Å; I374-A377 PolarHBondContact O-N 3Å; I375-A377 PolarHBondContact O-N 2.89Å; A377-L381 WeakPolarHBondContact O-CB 3.3Å; A377-L381 PolarHBondContact O-N 2.83Å; A377-W480 HydrophobicContact CB-CE3 4.49Å; A377-W480 HydrophobicContact CB-CH2 4.01Å; A377-W480 HydrophobicContact CB-CZ2 4.34Å; A377-W480 HydrophobicContact CB-CZ3 4.1Å; A377-W488 HydrophobicContact CB-CB 4.2Å |
| 378 | T | 96 | Very high | 89.2 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.2 | -47.6 | 175.8 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | I374 I375 R376 Q380 L381 L382 I454 Y456 W480 | I374-T378 WeakPolarHBondContact O-CB 3.39Å; I374-T378 PolarHBondContact O-N 2.91Å; I374-T378 PolarHBondContact O-OG1 3.32Å; I375-T378 WeakPolarHBondContact O-CB 3.46Å; I375-T378 PolarHBondContact O-N 3.19Å; I375-T378 VanDerWaalsContact O-N 3.14Å; R376-T378 VanDerWaalsContact C-N 3.26Å; R376-T378 PolarHBondContact O-N 3.42Å; T378-Q380 VanDerWaalsContact C-N 3.34Å; T378-Q380 PolarHBondContact O-N 3.28Å; T378-L381 PolarHBondContact O-N 3.19Å; T378-L382 HydrophobicContact CG2-CD1 4.23Å; T378-L382 VanDerWaalsContact O-CG 3.29Å; T378-L382 WeakPolarHBondContact O-CG 3.43Å; T378-L382 PolarHBondContact O-N 2.94Å; T378-I454 HydrophobicContact CG2-CD1 4.49Å; T378-Y456 HydrophobicContact CG2-CD1 4.38Å; T378-Y456 HydrophobicContact CG2-CE1 3.58Å; T378-W480 PolarHBondContact OG1-NE1 3.19Å; T378-W480 VanDerWaalsContact OG1-NE1 3.16Å |
| 379 | E | 93.6 | Very high | 89.4 | Confident | 92 Ų | 92 | 43.7 Ų | 43.7 | 43% | 0.43 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61 | -41.3 | 176.8 | -69.7 | 172.7 | 153.1 | 0 | 0 | 112.1 | I375 R376 L382 A383 I439 | I375-E379 WeakPolarHBondContact O-CG 3.48Å; I375-E379 PolarHBondContact O-N 3.14Å; R376-E379 PolarHBondContact O-N 2.94Å; E379-L382 PolarHBondContact O-N 2.73Å; E379-A383 VanDerWaalsContact O-CB 3.29Å; E379-A383 WeakPolarHBondContact O-CB 3.3Å; E379-A383 PolarHBondContact O-N 2.92Å; E379-I439 HydrophobicContact CG-CD1 3.63Å; E379-I439 HydrophobicContact CG-CG1 4.09Å |
| 380 | Q | 93.7 | Very high | 89.6 | Confident | 110 Ų | 110 | 42.1 Ų | 42.1 | 51% | 0.514 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65.7 | -42.8 | 177.4 | -73.8 | 176.1 | -21.7 | 0 | 0 | 112.6 | R376 T378 L382 A383 A384 F396 | R376-Q380 WeakPolarHBondContact O-CB 3.36Å; R376-Q380 VanDerWaalsContact O-CG 3.27Å; R376-Q380 WeakPolarHBondContact O-CG 3.34Å; R376-Q380 PolarHBondContact O-N 3.14Å; T378-Q380 VanDerWaalsContact C-N 3.34Å; T378-Q380 PolarHBondContact O-N 3.28Å; Q380-L382 VanDerWaalsContact C-N 3.35Å; Q380-A383 PolarHBondContact O-N 2.82Å; Q380-A384 PolarHBondContact O-N 3.25Å; Q380-F396 HydrophobicContact CB-CE1 4.18Å; Q380-F396 HydrophobicContact CB-CE2 4.19Å; Q380-F396 HydrophobicContact CB-CZ 3.59Å |
| 381 | L | 94.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.1 | -46.6 | 174.1 | 177.2 | 161.1 | 0 | 0 | 0 | 110.8 | A377 T378 A384 A385 Y393 F396 L397 R478 W480 N490 | A377-L381 WeakPolarHBondContact O-CB 3.3Å; A377-L381 PolarHBondContact O-N 2.83Å; T378-L381 PolarHBondContact O-N 3.19Å; L381-A384 WeakPolarHBondContact O-CB 3.23Å; L381-A384 PolarHBondContact O-N 2.9Å; L381-A385 PolarHBondContact O-N 2.93Å; L381-A385 VanDerWaalsContact O-N 3.08Å; L381-Y393 HydrophobicContact CD2-CD2 4.07Å; L381-Y393 HydrophobicContact CD2-CE2 3.55Å; L381-Y393 HydrophobicContact CG-CD2 4.05Å; L381-Y393 HydrophobicContact CG-CE2 3.92Å; L381-F396 HydrophobicContact CB-CB 4.17Å; L381-F396 HydrophobicContact CB-CD2 4.25Å; L381-F396 HydrophobicContact CB-CG 4.09Å; L381-F396 HydrophobicContact CD1-CB 3.77Å; L381-F396 HydrophobicContact CG-CB 4.15Å; L381-L397 HydrophobicContact CD1-CD2 4.13Å; L381-R478 VanDerWaalsContact CD2-NH1 3.32Å; L381-W480 HydrophobicContact CB-CH2 4.11Å; L381-W480 HydrophobicContact CB-CZ2 4.49Å; L381-W480 HydrophobicContact CD1-CH2 3.59Å; L381-W480 HydrophobicContact CD1-CZ2 3.94Å; L381-N490 HydrophobicContact CD1-CB 3.91Å |
| 382 | L | 90.9 | Very high | 89.6 | Confident | 4 Ų | 4 | 46.4 Ų | 46.4 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67 | -35.9 | 179.5 | -68.6 | -178.7 | 0 | 0 | 0 | 112.3 | T378 E379 Q380 A385 A386 T437 I439 Y456 | T378-L382 HydrophobicContact CG2-CD1 4.23Å; T378-L382 VanDerWaalsContact O-CG 3.29Å; T378-L382 WeakPolarHBondContact O-CG 3.43Å; T378-L382 PolarHBondContact O-N 2.94Å; E379-L382 PolarHBondContact O-N 2.73Å; Q380-L382 VanDerWaalsContact C-N 3.35Å; L382-A385 PolarHBondContact O-N 2.9Å; L382-A386 WeakPolarHBondContact O-CB 3.25Å; L382-A386 PolarHBondContact O-N 3.11Å; L382-T437 HydrophobicContact CB-CG2 4.13Å; L382-T437 HydrophobicContact CD1-CG2 4.06Å; L382-I439 HydrophobicContact CD1-CG2 3.4Å; L382-I439 VanDerWaalsContact CD1-CG2 3.4Å; L382-Y456 HydrophobicContact CD1-CE2 4.03Å |
| 383 | A | 86.4 | Confident | 89.6 | Confident | 57 Ų | 57 | 42.6 Ų | 42.6 | 47% | 0.471 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.8 | -40.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E379 Q380 A385 A386 A387 | E379-A383 VanDerWaalsContact O-CB 3.29Å; E379-A383 WeakPolarHBondContact O-CB 3.3Å; E379-A383 PolarHBondContact O-N 2.92Å; Q380-A383 PolarHBondContact O-N 2.82Å; A383-A385 VanDerWaalsContact C-N 3.31Å; A383-A385 PolarHBondContact O-N 2.73Å; A383-A386 PolarHBondContact O-N 3.23Å; A383-A387 VanDerWaalsContact O-CB 3.32Å; A383-A387 WeakPolarHBondContact O-CB 3.23Å; A383-A387 PolarHBondContact O-N 3.02Å |
| 384 | A | 87.5 | Confident | 89.6 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 2% | 0.017 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.9 | -41.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q380 L381 A387 G388 D389 L392 | Q380-A384 PolarHBondContact O-N 3.25Å; L381-A384 WeakPolarHBondContact O-CB 3.23Å; L381-A384 PolarHBondContact O-N 2.9Å; A384-A387 PolarHBondContact O-N 3.24Å; A384-G388 PolarHBondContact O-N 2.86Å; A384-D389 PolarHBondContact O-N 3.32Å; A384-L392 HydrophobicContact CB-CB 4.07Å; A384-L392 HydrophobicContact CB-CD2 3.88Å; A384-L392 HydrophobicContact CB-CG 3.82Å |
| 385 | A | 85.5 | Confident | 89.5 | Confident | 3 Ų | 3 | 50 Ų | 50 | 3% | 0.025 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.1 | -46.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L381 L382 A383 A387 G388 Y393 F423 | L381-A385 PolarHBondContact O-N 2.93Å; L381-A385 VanDerWaalsContact O-N 3.08Å; L382-A385 PolarHBondContact O-N 2.9Å; A383-A385 VanDerWaalsContact C-N 3.31Å; A383-A385 PolarHBondContact O-N 2.73Å; A385-A387 VanDerWaalsContact C-N 3.26Å; A385-A387 PolarHBondContact O-N 3.29Å; A385-G388 PolarHBondContact O-N 2.96Å; A385-G388 VanDerWaalsContact O-N 3.08Å; A385-Y393 HydrophobicContact CB-CD2 3.97Å; A385-Y393 HydrophobicContact CB-CE2 4.11Å; A385-F423 HydrophobicContact CB-CZ 4Å |
| 386 | A | 80.3 | Confident | 89.5 | Confident | 31 Ų | 31 | 50.5 Ų | 50.5 | 26% | 0.256 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.8 | -31.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | L382 A383 G388 I435 | L382-A386 WeakPolarHBondContact O-CB 3.25Å; L382-A386 PolarHBondContact O-N 3.11Å; A383-A386 PolarHBondContact O-N 3.23Å; A386-G388 VanDerWaalsContact C-N 3.29Å; A386-I435 HydrophobicContact CB-CG2 3.95Å |
| 387 | A | 80.7 | Confident | 89.5 | Confident | 80 Ų | 80 | 45.9 Ų | 45.9 | 66% | 0.661 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -9.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | A383 A384 A385 D389 | A383-A387 VanDerWaalsContact O-CB 3.32Å; A383-A387 WeakPolarHBondContact O-CB 3.23Å; A383-A387 PolarHBondContact O-N 3.02Å; A384-A387 PolarHBondContact O-N 3.24Å; A385-A387 VanDerWaalsContact C-N 3.26Å; A385-A387 PolarHBondContact O-N 3.29Å; A387-D389 HydrophobicContact CB-CB 4.49Å; A387-D389 PolarHBondContact O-N 2.81Å |
| 388 | G | 79.4 | Confident | 89.3 | Confident | 33 Ų | 33 | 46.1 Ų | 46.1 | 34% | 0.34 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 19.1 | -172 | 0 | 0 | 0 | 0 | 0 | 113.7 | A384 A385 A386 F390 | A384-G388 PolarHBondContact O-N 2.86Å; A385-G388 PolarHBondContact O-N 2.96Å; A385-G388 VanDerWaalsContact O-N 3.08Å; A386-G388 VanDerWaalsContact C-N 3.29Å; G388-F390 PolarHBondContact O-N 3.05Å |
| 389 | D | 85.4 | Confident | 88.8 | Confident | 70 Ų | 70 | 50.6 Ų | 50.6 | 37% | 0.374 | 29% | 0.289 | S | S | . | . | trans | -86.4 | 85.2 | 178 | -171.9 | -14.6 | 0 | 0 | 0 | 110.1 | A384 A387 E391 L392 Y393 | A384-D389 PolarHBondContact O-N 3.32Å; A387-D389 HydrophobicContact CB-CB 4.49Å; A387-D389 PolarHBondContact O-N 2.81Å; D389-E391 VanDerWaalsContact C-N 3.31Å; D389-E391 PolarHBondContact O-N 3.44Å; D389-E391 PolarHBondContact OD1-N 3.28Å; D389-L392 HydrophobicContact CB-CB 4.1Å; D389-L392 PolarHBondContact O-N 2.95Å; D389-L392 WeakPolarHBondContact OD1-CB 3.18Å; D389-L392 PolarHBondContact OD1-N 3.35Å; D389-L392 VanDerWaalsContact OD2-CB 3.31Å; D389-L392 WeakPolarHBondContact OD2-CB 3.33Å; D389-Y393 WeakPolarHBondContact O-CB 3.4Å; D389-Y393 PolarHBondContact O-N 3.31Å | ||
| 390 | F | 88.2 | Confident | 88.5 | Confident | 30 Ų | 30 | 53.5 Ų | 53.5 | 13% | 0.132 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.2 | -34.9 | -178.9 | -175.7 | -110 | 0 | 0 | 0 | 112.7 | G388 Y393 L394 A416 K420 F423 | G388-F390 PolarHBondContact O-N 3.05Å; F390-Y393 HydrophobicContact CD2-CD1 4.17Å; F390-Y393 HydrophobicContact CE2-CD1 4.18Å; F390-Y393 PolarHBondContact O-N 2.97Å; F390-L394 HydrophobicContact CE1-CD2 4.41Å; F390-L394 HydrophobicContact CZ-CD1 4.34Å; F390-L394 VanDerWaalsContact O-CB 3.28Å; F390-L394 WeakPolarHBondContact O-CB 3.24Å; F390-L394 PolarHBondContact O-N 3.19Å; F390-A416 HydrophobicContact CZ-CB 4.4Å; F390-K420 HydrophobicContact CD1-CG 4.23Å; F390-K420 HydrophobicContact CE1-CB 3.92Å; F390-K420 HydrophobicContact CE1-CD 3.93Å; F390-K420 HydrophobicContact CE1-CG 3.74Å; F390-K420 HydrophobicContact CE2-CB 3.86Å; F390-K420 HydrophobicContact CE2-CG 4.43Å; F390-K420 HydrophobicContact CZ-CB 3.47Å; F390-K420 VanDerWaalsContact CZ-CB 3.47Å; F390-K420 HydrophobicContact CZ-CD 4.28Å; F390-K420 HydrophobicContact CZ-CG 3.86Å; F390-F423 HydrophobicContact CB-CB 4.12Å; F390-F423 HydrophobicContact CB-CD1 3.63Å; F390-F423 HydrophobicContact CB-CE1 4.09Å; F390-F423 HydrophobicContact CB-CG 3.9Å; F390-F423 HydrophobicContact CD2-CB 4.08Å; F390-F423 HydrophobicContact CD2-CD1 4.13Å; F390-F423 AromaticContact CD2-CD2 3.59Å; F390-F423 HydrophobicContact CD2-CD2 3.59Å; F390-F423 HydrophobicContact CD2-CE1 4.41Å; F390-F423 AromaticContact CD2-CE2 3.89Å; F390-F423 HydrophobicContact CD2-CE2 3.89Å; F390-F423 AromaticContact CD2-CG 3.69Å; F390-F423 HydrophobicContact CD2-CG 3.69Å; F390-F423 HydrophobicContact CD2-CZ 4.27Å; F390-F423 HydrophobicContact CE2-CD2 4.29Å; F390-F423 HydrophobicContact CG-CB 4.33Å; F390-F423 HydrophobicContact CG-CD1 4.36Å; F390-F423 HydrophobicContact CG-CG 4.19Å |
| 391 | E | 89.3 | Confident | 88.4 | Confident | 133 Ų | 133 | 48.2 Ų | 48.2 | 62% | 0.621 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -67.1 | -41.7 | -179.8 | -70.7 | -63.2 | 151.8 | 0 | 0 | 111.2 | D389 K395 | D389-E391 VanDerWaalsContact C-N 3.31Å; D389-E391 PolarHBondContact O-N 3.44Å; D389-E391 PolarHBondContact OD1-N 3.28Å; E391-K395 PolarHBondContact O-N 2.96Å |
| 392 | L | 90.1 | Very high | 88.3 | Confident | 66 Ų | 66 | 49.6 Ų | 49.6 | 35% | 0.346 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -68.6 | -41.5 | 172.9 | -177.2 | 60.2 | 0 | 0 | 0 | 111.8 | A384 D389 L394 K395 F396 | A384-L392 HydrophobicContact CB-CB 4.07Å; A384-L392 HydrophobicContact CB-CD2 3.88Å; A384-L392 HydrophobicContact CB-CG 3.82Å; D389-L392 HydrophobicContact CB-CB 4.1Å; D389-L392 PolarHBondContact O-N 2.95Å; D389-L392 WeakPolarHBondContact OD1-CB 3.18Å; D389-L392 PolarHBondContact OD1-N 3.35Å; D389-L392 VanDerWaalsContact OD2-CB 3.31Å; D389-L392 WeakPolarHBondContact OD2-CB 3.33Å; L392-L394 VanDerWaalsContact C-N 3.31Å; L392-L394 PolarHBondContact O-N 3.01Å; L392-K395 HydrophobicContact CD1-CD 4.28Å; L392-K395 WeakPolarHBondContact O-CB 3.4Å; L392-K395 PolarHBondContact O-N 3Å; L392-F396 HydrophobicContact CD1-CE2 4.18Å; L392-F396 HydrophobicContact CG-CE2 4.33Å; L392-F396 WeakPolarHBondContact O-CD2 3.22Å |
| 393 | Y | 91 | Very high | 88.3 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.6 | -45 | 175.9 | 178.6 | -98.9 | 0 | 0 | 0 | 111.6 | L381 A385 D389 F390 K395 F396 L397 H419 F423 | L381-Y393 HydrophobicContact CD2-CD2 4.07Å; L381-Y393 HydrophobicContact CD2-CE2 3.55Å; L381-Y393 HydrophobicContact CG-CD2 4.05Å; L381-Y393 HydrophobicContact CG-CE2 3.92Å; A385-Y393 HydrophobicContact CB-CD2 3.97Å; A385-Y393 HydrophobicContact CB-CE2 4.11Å; D389-Y393 WeakPolarHBondContact O-CB 3.4Å; D389-Y393 PolarHBondContact O-N 3.31Å; F390-Y393 HydrophobicContact CD2-CD1 4.17Å; F390-Y393 HydrophobicContact CE2-CD1 4.18Å; F390-Y393 PolarHBondContact O-N 2.97Å; Y393-K395 VanDerWaalsContact C-N 3.25Å; Y393-K395 PolarHBondContact O-N 2.91Å; Y393-F396 PolarHBondContact O-N 2.87Å; Y393-L397 HydrophobicContact CD1-CD1 3.97Å; Y393-L397 HydrophobicContact CD1-CG 4.33Å; Y393-L397 HydrophobicContact CE1-CD1 3.42Å; Y393-L397 VanDerWaalsContact CE1-CD1 3.42Å; Y393-L397 HydrophobicContact CE1-CD2 4.29Å; Y393-L397 HydrophobicContact CE1-CG 4.03Å; Y393-H419 HydrophobicContact CE1-CB 4.17Å; Y393-H419 AromaticContact CE1-ND1 3.69Å; Y393-H419 AromaticContact CZ-ND1 3.69Å; Y393-H419 PolarHBondContact OH-CE1 2.94Å; Y393-H419 PolarHBondContact OH-ND1 3.29Å; Y393-F423 AromaticContact CD1-CE2 3.82Å; Y393-F423 HydrophobicContact CD1-CE2 3.82Å; Y393-F423 AromaticContact CD1-CZ 3.91Å; Y393-F423 HydrophobicContact CD1-CZ 3.91Å; Y393-F423 HydrophobicContact CD2-CE2 4.37Å; Y393-F423 AromaticContact CD2-CZ 3.93Å; Y393-F423 HydrophobicContact CD2-CZ 3.93Å; Y393-F423 HydrophobicContact CE1-CE2 4.05Å; Y393-F423 HydrophobicContact CE1-CZ 4.48Å; Y393-F423 HydrophobicContact CE2-CZ 4.5Å; Y393-F423 AromaticContact CG-CE2 4Å; Y393-F423 HydrophobicContact CG-CE2 4Å; Y393-F423 AromaticContact CG-CZ 3.6Å; Y393-F423 HydrophobicContact CG-CZ 3.6Å |
| 394 | L | 92.3 | Very high | 88.4 | Confident | 70 Ų | 70 | 49.4 Ų | 49.4 | 37% | 0.366 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.8 | -30.9 | 179 | -171.1 | 65.9 | 0 | 0 | 0 | 112.6 | F390 L392 F396 L397 A416 | F390-L394 HydrophobicContact CE1-CD2 4.41Å; F390-L394 HydrophobicContact CZ-CD1 4.34Å; F390-L394 VanDerWaalsContact O-CB 3.28Å; F390-L394 WeakPolarHBondContact O-CB 3.24Å; F390-L394 PolarHBondContact O-N 3.19Å; L392-L394 VanDerWaalsContact C-N 3.31Å; L392-L394 PolarHBondContact O-N 3.01Å; L394-F396 PolarHBondContact O-N 3.45Å; L394-L397 PolarHBondContact O-N 3.44Å; L394-A416 HydrophobicContact CD1-CB 3.85Å |
| 395 | K | 92.2 | Very high | 88.4 | Confident | 144 Ų | 144 | 49.4 Ų | 49.4 | 63% | 0.626 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -22 | 175.5 | -72.2 | 177.2 | -177.3 | 174.5 | 0 | 113.6 | E391 L392 Y393 Q489 | E391-K395 PolarHBondContact O-N 2.96Å; L392-K395 HydrophobicContact CD1-CD 4.28Å; L392-K395 WeakPolarHBondContact O-CB 3.4Å; L392-K395 PolarHBondContact O-N 3Å; Y393-K395 VanDerWaalsContact C-N 3.25Å; Y393-K395 PolarHBondContact O-N 2.91Å; K395-Q489 PolarHBondContact O-NE2 3.4Å; K395-Q489 PolarHBondContact O-OE1 3.4Å |
| 396 | F | 93.6 | Very high | 88.3 | Confident | 29 Ų | 29 | 51.8 Ų | 51.8 | 13% | 0.127 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -5.7 | 175.5 | -68.3 | -83.3 | 0 | 0 | 0 | 113 | Q380 L381 L392 Y393 L394 W480 Q489 N490 | Q380-F396 HydrophobicContact CB-CE1 4.18Å; Q380-F396 HydrophobicContact CB-CE2 4.19Å; Q380-F396 HydrophobicContact CB-CZ 3.59Å; L381-F396 HydrophobicContact CB-CB 4.17Å; L381-F396 HydrophobicContact CB-CD2 4.25Å; L381-F396 HydrophobicContact CB-CG 4.09Å; L381-F396 HydrophobicContact CD1-CB 3.77Å; L381-F396 HydrophobicContact CG-CB 4.15Å; L392-F396 HydrophobicContact CD1-CE2 4.18Å; L392-F396 HydrophobicContact CG-CE2 4.33Å; L392-F396 WeakPolarHBondContact O-CD2 3.22Å; Y393-F396 PolarHBondContact O-N 2.87Å; L394-F396 PolarHBondContact O-N 3.45Å; F396-W480 HydrophobicContact CB-CH2 4.26Å; F396-W480 HydrophobicContact CB-CZ3 4.32Å; F396-W480 HydrophobicContact CD1-CH2 4.1Å; F396-W480 HydrophobicContact CD1-CZ3 4.1Å; F396-Q489 CarbonylContact O-C 3.57Å; F396-Q489 WeakPolarHBondContact O-CA 3.34Å; F396-N490 PolarHBondContact O-N 3.4Å |
| 397 | L | 93.4 | Very high | 88.2 | Confident | 5 Ų | 5 | 52.1 Ų | 52.1 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 137 | -177.2 | -61.9 | -166.5 | 0 | 0 | 0 | 112 | L381 Y393 L394 F401 A416 Q489 N490 | L381-L397 HydrophobicContact CD1-CD2 4.13Å; Y393-L397 HydrophobicContact CD1-CD1 3.97Å; Y393-L397 HydrophobicContact CD1-CG 4.33Å; Y393-L397 HydrophobicContact CE1-CD1 3.42Å; Y393-L397 VanDerWaalsContact CE1-CD1 3.42Å; Y393-L397 HydrophobicContact CE1-CD2 4.29Å; Y393-L397 HydrophobicContact CE1-CG 4.03Å; L394-L397 PolarHBondContact O-N 3.44Å; L397-F401 HydrophobicContact CB-CB 4.42Å; L397-F401 HydrophobicContact CD1-CD1 4.13Å; L397-F401 HydrophobicContact CD1-CE1 4.4Å; L397-F401 HydrophobicContact CD1-CG 4.18Å; L397-F401 HydrophobicContact CD2-CD2 3.82Å; L397-F401 HydrophobicContact CD2-CE2 3.8Å; L397-F401 HydrophobicContact CD2-CG 4.31Å; L397-F401 HydrophobicContact CD2-CZ 4.32Å; L397-A416 HydrophobicContact CD1-CB 3.87Å; L397-Q489 PolarHBondContact O-OE1 2.77Å; L397-Q489 VanDerWaalsContact O-OE1 3.11Å; L397-N490 HydrophobicContact CD2-CB 4.16Å |
| 398 | D | 91.7 | Very high | 88 | Confident | 9 Ų | 9 | 48.5 Ų | 48.5 | 5% | 0.048 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 150.3 | 168 | -168.2 | -77.6 | 0 | 0 | 0 | 110.7 | Q400 F401 R483 Q489 N490 V491 | D398-Q400 PolarHBondContact O-N 3.46Å; D398-Q400 PolarHBondContact OD1-N 2.98Å; D398-F401 WeakPolarHBondContact O-CB 3.43Å; D398-F401 PolarHBondContact O-N 3.24Å; D398-R483 IonicContact OD2-CZ 3.44Å; D398-R483 IonicContact OD2-NE 3.68Å; D398-R483 PolarHBondContact OD2-NE 3.21Å; D398-R483 IonicContact OD2-NH2 3.54Å; D398-R483 PolarHBondContact OD2-NH2 3.22Å; D398-Q489 HydrophobicContact CB-CB 4.26Å; D398-N490 PolarHBondContact N-O 2.78Å; D398-V491 HydrophobicContact CB-CB 4.35Å; D398-V491 HydrophobicContact CB-CG1 3.66Å |
| 399 | S | 85.9 | Confident | 88 | Confident | 94 Ų | 94 | 52 Ų | 52 | 66% | 0.657 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.5 | -26.7 | 176.7 | 46 | 0 | 0 | 0 | 0 | 113.8 | ||
| 400 | Q | 87.4 | Confident | 87.8 | Confident | 153 Ų | 153 | 51.4 Ų | 51.4 | 72% | 0.715 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 33.6 | 176.2 | -59.6 | -171.7 | -51.3 | 0 | 0 | 111.4 | D398 | D398-Q400 PolarHBondContact O-N 3.46Å; D398-Q400 PolarHBondContact OD1-N 2.98Å |
| 401 | F | 90.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.2 | 138.9 | 177.8 | 173.6 | -102.7 | 0 | 0 | 0 | 111.9 | L397 D398 G415 H419 N490 V491 V493 | L397-F401 HydrophobicContact CB-CB 4.42Å; L397-F401 HydrophobicContact CD1-CD1 4.13Å; L397-F401 HydrophobicContact CD1-CE1 4.4Å; L397-F401 HydrophobicContact CD1-CG 4.18Å; L397-F401 HydrophobicContact CD2-CD2 3.82Å; L397-F401 HydrophobicContact CD2-CE2 3.8Å; L397-F401 HydrophobicContact CD2-CG 4.31Å; L397-F401 HydrophobicContact CD2-CZ 4.32Å; D398-F401 WeakPolarHBondContact O-CB 3.43Å; D398-F401 PolarHBondContact O-N 3.24Å; F401-G415 PolarHBondContact O-N 2.91Å; F401-H419 AromaticContact CE1-CE1 3.32Å; F401-H419 WeakPolarHBondContact CE1-CE1 3.47Å; F401-H419 AromaticContact CE1-ND1 3.72Å; F401-H419 AromaticContact CZ-CE1 3.6Å; F401-N490 WeakPolarHBondContact CD2-O 3.43Å; F401-V491 WeakPolarHBondContact CA-O 3.5Å; F401-V493 HydrophobicContact CE2-CB 4.38Å; F401-V493 HydrophobicContact CE2-CG2 3.62Å; F401-V493 HydrophobicContact CZ-CB 4.16Å; F401-V493 HydrophobicContact CZ-CG2 3.7Å |
| 402 | T | 92.5 | Very high | 87.4 | Confident | 28 Ų | 28 | 52.7 Ų | 52.7 | 17% | 0.172 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 144.9 | 175.3 | 55.8 | 0 | 0 | 0 | 0 | 111.7 | L413 E414 V491 H492 V493 | T402-L413 CarbonylContact C-O 3.54Å; T402-L413 VanDerWaalsContact CA-O 3.22Å; T402-L413 WeakPolarHBondContact CA-O 3.36Å; T402-E414 HydrophobicContact CG2-CG 4.14Å; T402-V491 PolarHBondContact N-O 3.22Å; T402-V491 PolarHBondContact OG1-O 3.23Å; T402-H492 CarbonylContact O-C 3.58Å; T402-H492 VanDerWaalsContact O-CA 3.25Å; T402-H492 WeakPolarHBondContact O-CA 3.26Å; T402-H492 PolarHBondContact O-ND1 3.2Å; T402-H492 PolarHBondContact OG1-ND1 3.25Å; T402-V493 PolarHBondContact O-N 2.93Å |
| 403 | Y | 89.9 | Confident | 87.2 | Confident | 4 Ų | 4 | 51.2 Ų | 51.2 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 134.7 | -179.2 | 175 | -88.3 | 0 | 0 | 0 | 110.9 | E407 L413 F418 H419 V493 R495 | Y403-E407 PolarHBondContact OH-OE2 2.63Å; Y403-L413 HydrophobicContact CD1-CD1 3.87Å; Y403-L413 HydrophobicContact CD1-CG 4.38Å; Y403-L413 HydrophobicContact CE1-CD1 4.45Å; Y403-L413 PolarHBondContact N-O 3.26Å; Y403-L413 PolarHBondContact O-N 3.17Å; Y403-F418 HydrophobicContact CE1-CE1 4.4Å; Y403-H419 AromaticContact CD2-CE1 3.73Å; Y403-H419 AromaticContact CD2-NE2 3.46Å; Y403-H419 WeakPolarHBondContact CD2-NE2 3.37Å; Y403-H419 AromaticContact CE2-NE2 3.93Å; Y403-H419 AromaticContact CG-NE2 3.58Å; Y403-V493 CarbonylContact C-O 3.53Å; Y403-V493 WeakPolarHBondContact CA-O 3.49Å; Y403-V493 HydrophobicContact CD2-CB 3.92Å; Y403-V493 HydrophobicContact CD2-CG1 3.95Å; Y403-V493 HydrophobicContact CE2-CG1 4.08Å; Y403-R495 PolarHBondContact OH-NE 3.03Å; Y403-R495 PolarHBondContact OH-NH2 3.09Å |
| 404 | F | 89.8 | Confident | 87 | Confident | 53 Ų | 53 | 58.5 Ų | 58.5 | 23% | 0.232 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 123.9 | 169.2 | -169.1 | -90 | 0 | 0 | 0 | 109 | N411 L412 V493 H494 R495 | F404-N411 WeakPolarHBondContact CD2-O 3.29Å; F404-L412 HydrophobicContact CB-CD1 4.27Å; F404-V493 PolarHBondContact N-O 3Å; F404-H494 AromaticContact CD1-CE1 3.49Å; F404-H494 VanDerWaalsContact CD1-CE1 3.49Å; F404-H494 WeakPolarHBondContact CD1-CE1 3.46Å; F404-H494 AromaticContact CD1-ND1 3.76Å; F404-H494 AromaticContact CD1-NE2 3.89Å; F404-H494 AromaticContact CE1-CE1 3.9Å; F404-H494 CarbonylContact O-C 3.52Å; F404-H494 WeakPolarHBondContact O-CA 3.42Å; F404-R495 PolarHBondContact O-N 3.4Å |
| 405 | G | 87.7 | Confident | 86.8 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | trans | -158.6 | 171.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E407 A408 R495 | G405-E407 PolarHBondContact O-N 2.83Å; G405-A408 WeakPolarHBondContact O-CB 3.42Å; G405-A408 PolarHBondContact O-N 2.82Å; G405-R495 WeakPolarHBondContact CA-O 3.47Å | ||
| 406 | P | 82.9 | Confident | 86.5 | Confident | 53 Ų | 53 | 50.2 Ų | 50.2 | 34% | 0.344 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -53.5 | -36.5 | 179.9 | -24.8 | 33.9 | 0 | 0 | 0 | 113.2 | A408 C409 R495 C497 | P406-A408 VanDerWaalsContact C-N 3.28Å; P406-A408 PolarHBondContact O-N 3.27Å; P406-C409 PolarHBondContact O-N 3.45Å; P406-R495 WeakPolarHBondContact CD-O 3.38Å; P406-C497 HydrophobicContact CG-CB 3.94Å; P406-C497 VanDerWaalsContact CG-SG 3.51Å |
| 407 | E | 77.2 | Confident | 86.1 | Confident | 38 Ų | 38 | 55 Ų | 55 | 18% | 0.178 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -72.8 | -21.9 | -178.7 | -59.6 | 74.9 | -167.8 | 0 | 0 | 112.4 | Y403 G405 C409 F418 R495 P521 | Y403-E407 PolarHBondContact OH-OE2 2.63Å; G405-E407 PolarHBondContact O-N 2.83Å; E407-C409 PolarHBondContact O-N 2.96Å; E407-F418 HydrophobicContact CB-CZ 4.22Å; E407-R495 IonicContact OE1-CZ 3.78Å; E407-R495 IonicContact OE1-NH2 2.64Å; E407-R495 PolarHBondContact OE1-NH2 3.04Å; E407-R495 IonicContact OE2-CZ 2.75Å; E407-R495 IonicContact OE2-NH2 3.58Å; E407-R495 PolarHBondContact OE2-NH2 2.96Å; E407-P521 HydrophobicContact CG-CB 3.53Å; E407-P521 HydrophobicContact CG-CG 4.33Å; E407-P521 VanDerWaalsContact OE1-CB 3.29Å; E407-P521 WeakPolarHBondContact OE1-CB 3.23Å |
| 408 | A | 78.4 | Confident | 85.6 | Confident | 4 Ų | 4 | 57.8 Ų | 57.8 | 3% | 0.033 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -74.7 | -7.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | G405 P406 G410 N411 L413 | G405-A408 WeakPolarHBondContact O-CB 3.42Å; G405-A408 PolarHBondContact O-N 2.82Å; P406-A408 VanDerWaalsContact C-N 3.28Å; P406-A408 PolarHBondContact O-N 3.27Å; A408-G410 PolarHBondContact O-N 2.94Å; A408-N411 WeakPolarHBondContact CB-O 3.5Å; A408-N411 VanDerWaalsContact O-CB 3.26Å; A408-N411 WeakPolarHBondContact O-CB 3.4Å; A408-N411 PolarHBondContact O-N 3.17Å; A408-N411 PolarHBondContact O-ND2 3.3Å; A408-L413 HydrophobicContact CB-CD1 3.84Å; A408-L413 HydrophobicContact CB-CD2 4.14Å; A408-L413 HydrophobicContact CB-CG 3.75Å |
| 409 | C | 78.7 | Confident | 85.1 | Confident | 108 Ų | 108 | 57.8 Ų | 57.8 | 73% | 0.73 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 37.9 | 178 | -61.4 | 0 | 0 | 0 | 0 | 113.4 | P406 E407 | P406-C409 PolarHBondContact O-N 3.45Å; E407-C409 PolarHBondContact O-N 2.96Å |
| 410 | G | 80.3 | Confident | 85.1 | Confident | 57 Ų | 57 | 57.3 Ų | 57.3 | 59% | 0.588 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.4 | -0.1 | -178 | 0 | 0 | 0 | 0 | 0 | 115.1 | A408 | A408-G410 PolarHBondContact O-N 2.94Š|
| 411 | N | 83.1 | Confident | 84.8 | Confident | 101 Ų | 101 | 55.3 Ų | 55.3 | 54% | 0.54 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -86 | 149.8 | 173.4 | -59 | -58.8 | 0 | 0 | 0 | 111.6 | F404 A408 L413 | F404-N411 WeakPolarHBondContact CD2-O 3.29Å; A408-N411 WeakPolarHBondContact CB-O 3.5Å; A408-N411 VanDerWaalsContact O-CB 3.26Å; A408-N411 WeakPolarHBondContact O-CB 3.4Å; A408-N411 PolarHBondContact O-N 3.17Å; A408-N411 PolarHBondContact O-ND2 3.3Å; N411-L413 HydrophobicContact CB-CD2 4.34Å |
| 412 | L | 86.1 | Confident | 83.9 | Confident | 88 Ų | 88 | 57.1 Ų | 57.1 | 46% | 0.461 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -87.2 | 119.8 | 164.1 | -175.7 | 68.1 | 0 | 0 | 0 | 107.8 | F404 | F404-L412 HydrophobicContact CB-CD1 4.27Š|
| 413 | L | 86.2 | Confident | 83.2 | Confident | 35 Ų | 35 | 56.7 Ų | 56.7 | 18% | 0.183 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 136.5 | 176.8 | -52.5 | -176.7 | 0 | 0 | 0 | 109.1 | T402 Y403 A408 N411 F418 | T402-L413 CarbonylContact C-O 3.54Å; T402-L413 VanDerWaalsContact CA-O 3.22Å; T402-L413 WeakPolarHBondContact CA-O 3.36Å; Y403-L413 HydrophobicContact CD1-CD1 3.87Å; Y403-L413 HydrophobicContact CD1-CG 4.38Å; Y403-L413 HydrophobicContact CE1-CD1 4.45Å; Y403-L413 PolarHBondContact N-O 3.26Å; Y403-L413 PolarHBondContact O-N 3.17Å; A408-L413 HydrophobicContact CB-CD1 3.84Å; A408-L413 HydrophobicContact CB-CD2 4.14Å; A408-L413 HydrophobicContact CB-CG 3.75Å; N411-L413 HydrophobicContact CB-CD2 4.34Å; L413-F418 HydrophobicContact CD1-CB 4.2Å; L413-F418 HydrophobicContact CD1-CD1 3.24Å; L413-F418 HydrophobicContact CD1-CD2 3.83Å; L413-F418 HydrophobicContact CD1-CE1 3.39Å; L413-F418 HydrophobicContact CD1-CE2 3.91Å; L413-F418 HydrophobicContact CD1-CG 3.5Å; L413-F418 VanDerWaalsContact CD1-CG 3.5Å; L413-F418 HydrophobicContact CD1-CZ 3.69Å |
| 414 | E | 88.1 | Confident | 82.4 | Confident | 154 Ų | 154 | 62 Ų | 62 | 72% | 0.72 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 140.6 | 178.1 | -56.8 | -172.3 | 178.5 | 0 | 0 | 110.1 | T402 | T402-E414 HydrophobicContact CG2-CG 4.14Å |
| 415 | G | 87.3 | Confident | 81.4 | Confident | 22 Ų | 22 | 65.4 Ų | 65.4 | 23% | 0.227 | 35% | 0.352 | C | S | . | . | S | Bend | trans | 80.7 | 178.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | F401 | F401-G415 PolarHBondContact O-N 2.91Š|
| 416 | A | 86.1 | Confident | 80.1 | Confident | 18 Ų | 18 | 68.2 Ų | 68.2 | 15% | 0.149 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -99.8 | -2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F390 L394 L397 F418 H419 K420 | F390-A416 HydrophobicContact CZ-CB 4.4Å; L394-A416 HydrophobicContact CD1-CB 3.85Å; L397-A416 HydrophobicContact CD1-CB 3.87Å; A416-F418 VanDerWaalsContact C-N 3.32Å; A416-F418 PolarHBondContact O-N 2.84Å; A416-H419 PolarHBondContact O-N 3.08Å; A416-H419 VanDerWaalsContact O-N 3.08Å; A416-K420 PolarHBondContact O-N 3.21Å |
| 417 | D | 84.1 | Confident | 78.9 | Confident | 129 Ų | 129 | 67.3 Ų | 67.3 | 69% | 0.69 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -63.5 | -37.7 | -175 | -70 | -29.3 | 0 | 0 | 0 | 112.4 | H419 K420 F421 | D417-H419 VanDerWaalsContact C-N 3.33Å; D417-H419 PolarHBondContact O-N 3.35Å; D417-K420 WeakPolarHBondContact O-CB 3.33Å; D417-K420 PolarHBondContact O-N 2.79Å; D417-F421 PolarHBondContact O-N 2.73Å |
| 418 | F | 82.4 | Confident | 77.6 | Confident | 63 Ų | 63 | 67.4 Ų | 67.4 | 28% | 0.276 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.4 | -45.1 | 172.9 | -179.5 | -106.7 | 0 | 0 | 0 | 111 | Y403 E407 L413 A416 F421 Y422 | Y403-F418 HydrophobicContact CE1-CE1 4.4Å; E407-F418 HydrophobicContact CB-CZ 4.22Å; L413-F418 HydrophobicContact CD1-CB 4.2Å; L413-F418 HydrophobicContact CD1-CD1 3.24Å; L413-F418 HydrophobicContact CD1-CD2 3.83Å; L413-F418 HydrophobicContact CD1-CE1 3.39Å; L413-F418 HydrophobicContact CD1-CE2 3.91Å; L413-F418 HydrophobicContact CD1-CG 3.5Å; L413-F418 VanDerWaalsContact CD1-CG 3.5Å; L413-F418 HydrophobicContact CD1-CZ 3.69Å; A416-F418 VanDerWaalsContact C-N 3.32Å; A416-F418 PolarHBondContact O-N 2.84Å; F418-F421 WeakPolarHBondContact O-CB 3.39Å; F418-F421 PolarHBondContact O-N 3.06Å; F418-Y422 HydrophobicContact CD1-CD2 4.42Å; F418-Y422 HydrophobicContact CD1-CE2 4.37Å; F418-Y422 HydrophobicContact CD2-CE2 4.34Å; F418-Y422 HydrophobicContact CE1-CD2 4.1Å; F418-Y422 AromaticContact CE1-CE2 3.69Å; F418-Y422 HydrophobicContact CE1-CE2 3.69Å; F418-Y422 HydrophobicContact CE2-CD2 4.46Å; F418-Y422 AromaticContact CE2-CE2 3.7Å; F418-Y422 HydrophobicContact CE2-CE2 3.7Å; F418-Y422 HydrophobicContact CZ-CD2 4.15Å; F418-Y422 AromaticContact CZ-CE2 3.33Å; F418-Y422 HydrophobicContact CZ-CE2 3.33Å; F418-Y422 WeakPolarHBondContact O-CD2 3.49Å; F418-Y422 PolarHBondContact O-N 3.38Å |
| 419 | H | 83.2 | Confident | 76.3 | Confident | 9 Ų | 9 | 78 Ų | 78 | 4% | 0.042 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -67.9 | -41 | 177.5 | -64.7 | -175.8 | 0 | 0 | 0 | 111.3 | Y393 F401 Y403 A416 D417 F421 Y422 F423 | Y393-H419 HydrophobicContact CE1-CB 4.17Å; Y393-H419 AromaticContact CE1-ND1 3.69Å; Y393-H419 AromaticContact CZ-ND1 3.69Å; Y393-H419 PolarHBondContact OH-CE1 2.94Å; Y393-H419 PolarHBondContact OH-ND1 3.29Å; F401-H419 AromaticContact CE1-CE1 3.32Å; F401-H419 WeakPolarHBondContact CE1-CE1 3.47Å; F401-H419 AromaticContact CE1-ND1 3.72Å; F401-H419 AromaticContact CZ-CE1 3.6Å; Y403-H419 AromaticContact CD2-CE1 3.73Å; Y403-H419 AromaticContact CD2-NE2 3.46Å; Y403-H419 WeakPolarHBondContact CD2-NE2 3.37Å; Y403-H419 AromaticContact CE2-NE2 3.93Å; Y403-H419 AromaticContact CG-NE2 3.58Å; A416-H419 PolarHBondContact O-N 3.08Å; A416-H419 VanDerWaalsContact O-N 3.08Å; D417-H419 VanDerWaalsContact C-N 3.33Å; D417-H419 PolarHBondContact O-N 3.35Å; H419-F421 VanDerWaalsContact C-N 3.27Å; H419-F421 PolarHBondContact O-N 3.28Å; H419-Y422 WeakPolarHBondContact O-CA 3.41Å; H419-Y422 WeakPolarHBondContact O-CB 3.43Å; H419-Y422 PolarHBondContact O-N 3.47Å; H419-F423 WeakPolarHBondContact O-CD2 3.34Å; H419-F423 PolarHBondContact O-N 2.99Å |
| 420 | K | 84.3 | Confident | 74.7 | Confident | 84 Ų | 84 | 77.8 Ų | 77.8 | 37% | 0.365 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -53 | -46.4 | 175.2 | -173 | 176.1 | 172.8 | 179 | 0 | 111.5 | F390 A416 D417 Y422 F423 E424 | F390-K420 HydrophobicContact CD1-CG 4.23Å; F390-K420 HydrophobicContact CE1-CB 3.92Å; F390-K420 HydrophobicContact CE1-CD 3.93Å; F390-K420 HydrophobicContact CE1-CG 3.74Å; F390-K420 HydrophobicContact CE2-CB 3.86Å; F390-K420 HydrophobicContact CE2-CG 4.43Å; F390-K420 HydrophobicContact CZ-CB 3.47Å; F390-K420 VanDerWaalsContact CZ-CB 3.47Å; F390-K420 HydrophobicContact CZ-CD 4.28Å; F390-K420 HydrophobicContact CZ-CG 3.86Å; A416-K420 PolarHBondContact O-N 3.21Å; D417-K420 WeakPolarHBondContact O-CB 3.33Å; D417-K420 PolarHBondContact O-N 2.79Å; K420-Y422 VanDerWaalsContact C-N 3.29Å; K420-Y422 PolarHBondContact O-N 3.18Å; K420-F423 PolarHBondContact O-N 2.88Å; K420-E424 WeakPolarHBondContact CE-OE1 3.48Å; K420-E424 HydrophobicContact CG-CG 4.4Å; K420-E424 IonicContact NZ-OE1 2.63Å; K420-E424 WeakPolarHBondContact O-CG 3.26Å; K420-E424 PolarHBondContact O-N 3.31Å |
| 421 | F | 80.9 | Confident | 73.3 | Confident | 111 Ų | 111 | 76.2 Ų | 76.2 | 49% | 0.487 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -56.3 | -43 | 175.2 | 176.9 | -94.8 | 0 | 0 | 0 | 112 | D417 F418 H419 E424 Q425 I426 | D417-F421 PolarHBondContact O-N 2.73Å; F418-F421 WeakPolarHBondContact O-CB 3.39Å; F418-F421 PolarHBondContact O-N 3.06Å; H419-F421 VanDerWaalsContact C-N 3.27Å; H419-F421 PolarHBondContact O-N 3.28Å; F421-E424 PolarHBondContact O-N 2.77Å; F421-Q425 HydrophobicContact CD2-CB 4.42Å; F421-Q425 HydrophobicContact CD2-CG 3.72Å; F421-Q425 HydrophobicContact CE1-CB 4.42Å; F421-Q425 HydrophobicContact CE2-CB 4.16Å; F421-Q425 HydrophobicContact CE2-CG 3.62Å; F421-Q425 HydrophobicContact CG-CG 4.32Å; F421-Q425 HydrophobicContact CZ-CB 4.15Å; F421-Q425 HydrophobicContact CZ-CG 4.13Å; F421-Q425 VanDerWaalsContact O-CB 3.23Å; F421-Q425 WeakPolarHBondContact O-CB 3.48Å; F421-Q425 WeakPolarHBondContact O-CG 3.25Å; F421-Q425 PolarHBondContact O-N 2.62Å; F421-I426 HydrophobicContact CD1-CD1 4.22Å; F421-I426 HydrophobicContact CE1-CD1 3.79Å; F421-I426 HydrophobicContact CE1-CG1 4.46Å |
| 422 | Y | 73.3 | Confident | 71.7 | Confident | 39 Ų | 39 | 73 Ų | 73 | 15% | 0.153 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.2 | -43.3 | 175.7 | -86.8 | -87.6 | 0 | 0 | 0 | 113.2 | F418 H419 K420 E424 I426 I427 P521 | F418-Y422 HydrophobicContact CD1-CD2 4.42Å; F418-Y422 HydrophobicContact CD1-CE2 4.37Å; F418-Y422 HydrophobicContact CD2-CE2 4.34Å; F418-Y422 HydrophobicContact CE1-CD2 4.1Å; F418-Y422 AromaticContact CE1-CE2 3.69Å; F418-Y422 HydrophobicContact CE1-CE2 3.69Å; F418-Y422 HydrophobicContact CE2-CD2 4.46Å; F418-Y422 AromaticContact CE2-CE2 3.7Å; F418-Y422 HydrophobicContact CE2-CE2 3.7Å; F418-Y422 HydrophobicContact CZ-CD2 4.15Å; F418-Y422 AromaticContact CZ-CE2 3.33Å; F418-Y422 HydrophobicContact CZ-CE2 3.33Å; F418-Y422 WeakPolarHBondContact O-CD2 3.49Å; F418-Y422 PolarHBondContact O-N 3.38Å; H419-Y422 WeakPolarHBondContact O-CA 3.41Å; H419-Y422 WeakPolarHBondContact O-CB 3.43Å; H419-Y422 PolarHBondContact O-N 3.47Å; K420-Y422 VanDerWaalsContact C-N 3.29Å; K420-Y422 PolarHBondContact O-N 3.18Å; Y422-E424 VanDerWaalsContact C-N 3.31Å; Y422-E424 PolarHBondContact O-N 2.96Å; Y422-I426 HydrophobicContact CD1-CB 3.59Å; Y422-I426 HydrophobicContact CD1-CD1 3.27Å; Y422-I426 HydrophobicContact CD1-CG1 3.93Å; Y422-I426 HydrophobicContact CD1-CG2 3.62Å; Y422-I426 HydrophobicContact CD2-CD1 4.36Å; Y422-I426 HydrophobicContact CE1-CB 4.15Å; Y422-I426 HydrophobicContact CE1-CD1 3.07Å; Y422-I426 HydrophobicContact CE1-CG1 4.13Å; Y422-I426 HydrophobicContact CE1-CG2 3.91Å; Y422-I426 HydrophobicContact CE2-CD1 4.22Å; Y422-I426 HydrophobicContact CG-CB 4.35Å; Y422-I426 HydrophobicContact CG-CD1 3.93Å; Y422-I426 CarbonylContact O-C 3.53Å; Y422-I426 WeakPolarHBondContact O-CA 3.46Å; Y422-I426 WeakPolarHBondContact O-CB 3.41Å; Y422-I426 PolarHBondContact O-N 2.86Å; Y422-I427 PolarHBondContact O-N 3.28Å; Y422-P521 HydrophobicContact CD1-CG 3.34Å; Y422-P521 HydrophobicContact CE1-CB 4.19Å; Y422-P521 HydrophobicContact CE1-CG 2.95Å; Y422-P521 HydrophobicContact CG-CG 4.27Å |
| 423 | F | 76.4 | Confident | 70 | Confident | 18 Ų | 18 | 80.8 Ų | 80.8 | 8% | 0.079 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.7 | -40.1 | 175.8 | -87.1 | -102.7 | 0 | 0 | 0 | 112.2 | A385 F390 Y393 H419 K420 I427 L522 | A385-F423 HydrophobicContact CB-CZ 4Å; F390-F423 HydrophobicContact CB-CB 4.12Å; F390-F423 HydrophobicContact CB-CD1 3.63Å; F390-F423 HydrophobicContact CB-CE1 4.09Å; F390-F423 HydrophobicContact CB-CG 3.9Å; F390-F423 HydrophobicContact CD2-CB 4.08Å; F390-F423 HydrophobicContact CD2-CD1 4.13Å; F390-F423 AromaticContact CD2-CD2 3.59Å; F390-F423 HydrophobicContact CD2-CD2 3.59Å; F390-F423 HydrophobicContact CD2-CE1 4.41Å; F390-F423 AromaticContact CD2-CE2 3.89Å; F390-F423 HydrophobicContact CD2-CE2 3.89Å; F390-F423 AromaticContact CD2-CG 3.69Å; F390-F423 HydrophobicContact CD2-CG 3.69Å; F390-F423 HydrophobicContact CD2-CZ 4.27Å; F390-F423 HydrophobicContact CE2-CD2 4.29Å; F390-F423 HydrophobicContact CG-CB 4.33Å; F390-F423 HydrophobicContact CG-CD1 4.36Å; F390-F423 HydrophobicContact CG-CG 4.19Å; Y393-F423 AromaticContact CD1-CE2 3.82Å; Y393-F423 HydrophobicContact CD1-CE2 3.82Å; Y393-F423 AromaticContact CD1-CZ 3.91Å; Y393-F423 HydrophobicContact CD1-CZ 3.91Å; Y393-F423 HydrophobicContact CD2-CE2 4.37Å; Y393-F423 AromaticContact CD2-CZ 3.93Å; Y393-F423 HydrophobicContact CD2-CZ 3.93Å; Y393-F423 HydrophobicContact CE1-CE2 4.05Å; Y393-F423 HydrophobicContact CE1-CZ 4.48Å; Y393-F423 HydrophobicContact CE2-CZ 4.5Å; Y393-F423 AromaticContact CG-CE2 4Å; Y393-F423 HydrophobicContact CG-CE2 4Å; Y393-F423 AromaticContact CG-CZ 3.6Å; Y393-F423 HydrophobicContact CG-CZ 3.6Å; H419-F423 WeakPolarHBondContact O-CD2 3.34Å; H419-F423 PolarHBondContact O-N 2.99Å; K420-F423 PolarHBondContact O-N 2.88Å; F423-I427 HydrophobicContact CB-CD1 4.22Å; F423-I427 HydrophobicContact CD1-CD1 3.6Å; F423-I427 HydrophobicContact CD2-CD1 4.39Å; F423-I427 HydrophobicContact CE1-CD1 4.1Å; F423-I427 HydrophobicContact CG-CD1 3.79Å; F423-L522 HydrophobicContact CD2-CD1 4.38Å; F423-L522 HydrophobicContact CD2-CD2 3.74Å; F423-L522 HydrophobicContact CE2-CD1 4.39Å; F423-L522 HydrophobicContact CE2-CD2 3.51Å; F423-L522 HydrophobicContact CZ-CD2 4.45Å |
| 424 | E | 74.1 | Confident | 68.8 | Low | 116 Ų | 116 | 82 Ų | 82 | 54% | 0.542 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -81.5 | -39.2 | -176.8 | -70.6 | 179.8 | 172.7 | 0 | 0 | 113.7 | K420 F421 Y422 | K420-E424 WeakPolarHBondContact CE-OE1 3.48Å; K420-E424 HydrophobicContact CG-CG 4.4Å; K420-E424 IonicContact NZ-OE1 2.63Å; K420-E424 WeakPolarHBondContact O-CG 3.26Å; K420-E424 PolarHBondContact O-N 3.31Å; F421-E424 PolarHBondContact O-N 2.77Å; Y422-E424 VanDerWaalsContact C-N 3.31Å; Y422-E424 PolarHBondContact O-N 2.96Å |
| 425 | Q | 68 | Low | 68 | Low | 125 Ų | 125 | 76.4 Ų | 76.4 | 58% | 0.584 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -108.9 | -25.2 | -167.3 | -54.3 | -59.5 | -32.5 | 0 | 0 | 113.7 | F421 | F421-Q425 HydrophobicContact CD2-CB 4.42Å; F421-Q425 HydrophobicContact CD2-CG 3.72Å; F421-Q425 HydrophobicContact CE1-CB 4.42Å; F421-Q425 HydrophobicContact CE2-CB 4.16Å; F421-Q425 HydrophobicContact CE2-CG 3.62Å; F421-Q425 HydrophobicContact CG-CG 4.32Å; F421-Q425 HydrophobicContact CZ-CB 4.15Å; F421-Q425 HydrophobicContact CZ-CG 4.13Å; F421-Q425 VanDerWaalsContact O-CB 3.23Å; F421-Q425 WeakPolarHBondContact O-CB 3.48Å; F421-Q425 WeakPolarHBondContact O-CG 3.25Å; F421-Q425 PolarHBondContact O-N 2.62Å |
| 426 | I | 60.7 | Low | 67.6 | Low | 61 Ų | 61 | 80.6 Ų | 80.6 | 31% | 0.313 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | -31.2 | -166.9 | -62 | 175.8 | 0 | 0 | 0 | 112.8 | F421 Y422 P428 | F421-I426 HydrophobicContact CD1-CD1 4.22Å; F421-I426 HydrophobicContact CE1-CD1 3.79Å; F421-I426 HydrophobicContact CE1-CG1 4.46Å; Y422-I426 HydrophobicContact CD1-CB 3.59Å; Y422-I426 HydrophobicContact CD1-CD1 3.27Å; Y422-I426 HydrophobicContact CD1-CG1 3.93Å; Y422-I426 HydrophobicContact CD1-CG2 3.62Å; Y422-I426 HydrophobicContact CD2-CD1 4.36Å; Y422-I426 HydrophobicContact CE1-CB 4.15Å; Y422-I426 HydrophobicContact CE1-CD1 3.07Å; Y422-I426 HydrophobicContact CE1-CG1 4.13Å; Y422-I426 HydrophobicContact CE1-CG2 3.91Å; Y422-I426 HydrophobicContact CE2-CD1 4.22Å; Y422-I426 HydrophobicContact CG-CB 4.35Å; Y422-I426 HydrophobicContact CG-CD1 3.93Å; Y422-I426 CarbonylContact O-C 3.53Å; Y422-I426 WeakPolarHBondContact O-CA 3.46Å; Y422-I426 WeakPolarHBondContact O-CB 3.41Å; Y422-I426 PolarHBondContact O-N 2.86Å; I426-P428 WeakPolarHBondContact O-CD 3.46Å; I426-P428 WeakPolarHBondContact O-CG 3.41Å; I426-P428 VanDerWaalsContact O-N 3.12Å |
| 427 | I | 58.7 | Low | 67.6 | Low | 34 Ų | 34 | 81 Ų | 81 | 17% | 0.174 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -70 | 100.9 | 165.5 | -54.5 | 178.9 | 0 | 0 | 0 | 107.5 | Y422 F423 K429 L522 | Y422-I427 PolarHBondContact O-N 3.28Å; F423-I427 HydrophobicContact CB-CD1 4.22Å; F423-I427 HydrophobicContact CD1-CD1 3.6Å; F423-I427 HydrophobicContact CD2-CD1 4.39Å; F423-I427 HydrophobicContact CE1-CD1 4.1Å; F423-I427 HydrophobicContact CG-CD1 3.79Å; I427-K429 PolarHBondContact O-N 3.14Å; I427-L522 HydrophobicContact CD1-CD1 3.27Å; I427-L522 HydrophobicContact CG1-CD1 3.35Å |
| 428 | P | 48.6 | Very low | 67.8 | Low | 40 Ų | 40 | 76.5 Ų | 76.5 | 26% | 0.26 | 38% | 0.375 | S | S | . | . | trans | -82.7 | 121.3 | -170.4 | -5.8 | 27 | 0 | 0 | 0 | 108 | I426 S430 V431 | I426-P428 WeakPolarHBondContact O-CD 3.46Å; I426-P428 WeakPolarHBondContact O-CG 3.41Å; I426-P428 VanDerWaalsContact O-N 3.12Å; P428-S430 PolarHBondContact O-N 2.98Å; P428-V431 HydrophobicContact CB-CB 4Å; P428-V431 HydrophobicContact CB-CG2 3.88Å; P428-V431 HydrophobicContact CG-CB 4Å; P428-V431 HydrophobicContact CG-CG2 4.17Å; P428-V431 PolarHBondContact O-N 3.5Å | ||
| 429 | K | 51.2 | Low | 68.2 | Low | 225 Ų | 225 | 74.5 Ų | 74.5 | 98% | 0.978 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49 | -13.8 | 173.9 | -66.7 | -178.3 | 179.2 | 177.6 | 0 | 114.5 | I427 | I427-K429 PolarHBondContact O-N 3.14Š|
| 430 | S | 46.6 | Very low | 68.4 | Low | 105 Ų | 105 | 77.3 Ų | 77.3 | 73% | 0.734 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.6 | -15.7 | -174.3 | 59.6 | 0 | 0 | 0 | 0 | 116.5 | P428 | P428-S430 PolarHBondContact O-N 2.98Š|
| 431 | V | 48.9 | Very low | 68.5 | Low | 23 Ų | 23 | 79.9 Ų | 79.9 | 14% | 0.139 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -22.8 | -168.8 | 179.4 | 0 | 0 | 0 | 0 | 113.4 | P428 K465 | P428-V431 HydrophobicContact CB-CB 4Å; P428-V431 HydrophobicContact CB-CG2 3.88Å; P428-V431 HydrophobicContact CG-CB 4Å; P428-V431 HydrophobicContact CG-CG2 4.17Å; P428-V431 PolarHBondContact O-N 3.5Å; V431-K465 HydrophobicContact CG1-CG 3.75Å; V431-K465 HydrophobicContact CG2-CD 4.38Å; V431-K465 VanDerWaalsContact CG2-CE 3.47Å; V431-K465 HydrophobicContact CG2-CG 4.14Å |
| 432 | V | 49.7 | Very low | 69.1 | Low | 33 Ų | 33 | 76.8 Ų | 76.8 | 20% | 0.2 | 39% | 0.391 | C | S | . | . | trans | -117.4 | 92.6 | -176.1 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | A434 I435 Y520 | V432-A434 VanDerWaalsContact C-N 3.28Å; V432-I435 HydrophobicContact CB-CD1 4.2Å; V432-I435 HydrophobicContact CB-CG1 4.39Å; V432-I435 HydrophobicContact CG1-CB 3.77Å; V432-I435 HydrophobicContact CG1-CD1 3.53Å; V432-I435 HydrophobicContact CG1-CG1 3.29Å; V432-I435 VanDerWaalsContact CG1-N 3.27Å; V432-I435 HydrophobicContact CG2-CD1 3.87Å; V432-I435 HydrophobicContact CG2-CG1 4.29Å; V432-Y520 HydrophobicContact CG2-CE1 4.12Å; V432-Y520 WeakPolarHBondContact CG2-OH 3.45Å | ||
| 433 | R | 50.9 | Low | 69.9 | Low | 253 Ų | 253 | 79.6 Ų | 79.6 | 96% | 0.955 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -79.5 | -12.3 | 167.9 | -78.1 | -174.3 | 173.8 | 179.2 | -1.6 | 113 | ||
| 434 | A | 61.1 | Low | 70.7 | Confident | 61 Ų | 61 | 79.6 Ų | 79.6 | 50% | 0.504 | 41% | 0.414 | S | S | . | . | trans | -161.5 | 101.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V432 | V432-A434 VanDerWaalsContact C-N 3.28Š| ||
| 435 | I | 72.1 | Confident | 71.4 | Confident | 35 Ų | 35 | 80 Ų | 80 | 18% | 0.179 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 121 | 156.3 | -86.8 | 158.4 | 0 | 0 | 0 | 106 | A386 V432 T460 Q461 F462 Y520 | A386-I435 HydrophobicContact CB-CG2 3.95Å; V432-I435 HydrophobicContact CB-CD1 4.2Å; V432-I435 HydrophobicContact CB-CG1 4.39Å; V432-I435 HydrophobicContact CG1-CB 3.77Å; V432-I435 HydrophobicContact CG1-CD1 3.53Å; V432-I435 HydrophobicContact CG1-CG1 3.29Å; V432-I435 VanDerWaalsContact CG1-N 3.27Å; V432-I435 HydrophobicContact CG2-CD1 3.87Å; V432-I435 HydrophobicContact CG2-CG1 4.29Å; I435-T460 HydrophobicContact CG2-CG2 4.05Å; I435-Q461 CarbonylContact C-O 3.6Å; I435-Q461 WeakPolarHBondContact CA-O 3.32Å; I435-F462 HydrophobicContact CG1-CB 3.75Å; I435-Y520 HydrophobicContact CD1-CD1 4.12Å; I435-Y520 HydrophobicContact CD1-CE1 4.11Å |
| 436 | H | 79.3 | Confident | 72.4 | Confident | 110 Ų | 110 | 76.1 Ų | 76.1 | 51% | 0.509 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 125.5 | 166.8 | -173.6 | 64.4 | 0 | 0 | 0 | 108.7 | Q461 | H436-Q461 HydrophobicContact CB-CB 4.43Å; H436-Q461 PolarHBondContact N-O 3.02Å; H436-Q461 PolarHBondContact O-N 3.09Å |
| 437 | T | 85.3 | Confident | 73.4 | Confident | 26 Ų | 26 | 75.1 Ų | 75.1 | 16% | 0.16 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 133.1 | 175.9 | -66 | 0 | 0 | 0 | 0 | 109.2 | L382 R458 L459 | L382-T437 HydrophobicContact CB-CG2 4.13Å; L382-T437 HydrophobicContact CD1-CG2 4.06Å; T437-R458 HydrophobicContact CG2-CG 3.73Å; T437-L459 WeakPolarHBondContact CA-O 3.09Å |
| 438 | S | 87.4 | Confident | 74.5 | Confident | 35 Ų | 35 | 75.5 Ų | 75.5 | 25% | 0.245 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 152.9 | 171.7 | 59.5 | 0 | 0 | 0 | 0 | 110.8 | R458 L459 | S438-R458 WeakPolarHBondContact O-CA 3.33Å; S438-L459 PolarHBondContact N-O 3.25Å; S438-L459 PolarHBondContact O-N 2.97Å |
| 439 | I | 92.2 | Very high | 76.1 | Confident | 22 Ų | 22 | 79.9 Ų | 79.9 | 11% | 0.113 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 134.8 | 174.6 | 62.9 | 176.4 | 0 | 0 | 0 | 109.2 | I375 E379 L382 P442 Y456 | I375-I439 HydrophobicContact CG2-CD1 3.98Å; E379-I439 HydrophobicContact CG-CD1 3.63Å; E379-I439 HydrophobicContact CG-CG1 4.09Å; L382-I439 HydrophobicContact CD1-CG2 3.4Å; L382-I439 VanDerWaalsContact CD1-CG2 3.4Å; I439-P442 HydrophobicContact CD1-CB 4.34Å; I439-Y456 HydrophobicContact CB-CD2 3.69Å; I439-Y456 HydrophobicContact CB-CE2 4.28Å; I439-Y456 HydrophobicContact CB-CG 4.11Å; I439-Y456 HydrophobicContact CG2-CD2 3.37Å; I439-Y456 HydrophobicContact CG2-CE2 3.43Å; I439-Y456 VanDerWaalsContact CG2-CE2 3.43Å; I439-Y456 HydrophobicContact CG2-CG 4.1Å |
| 440 | L | 87.4 | Confident | 78 | Confident | 67 Ų | 67 | 71 Ų | 71 | 35% | 0.351 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 139.8 | -179.1 | -55 | 178.4 | 0 | 0 | 0 | 109.2 | T457 L459 | L440-T457 PolarHBondContact N-O 2.99Å; L440-T457 PolarHBondContact O-N 2.63Å; L440-T457 VanDerWaalsContact O-N 3.07Å; L440-L459 HydrophobicContact CD1-CB 4.34Å |
| 441 | N | 85.6 | Confident | 80.2 | Confident | 138 Ų | 138 | 66.4 Ų | 66.4 | 74% | 0.738 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 47.6 | 51.2 | 176.3 | -55.8 | -34.3 | 0 | 0 | 0 | 114.4 | T443 | N441-T443 PolarHBondContact O-N 2.92Å |
| 442 | P | 93.6 | Very high | 82.3 | Confident | 46 Ų | 46 | 65.3 Ų | 65.3 | 30% | 0.299 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 123.7 | -179.7 | 27.7 | -34.2 | 0 | 0 | 0 | 111 | I375 I439 I454 A455 | I375-P442 HydrophobicContact CD1-CB 4.23Å; I375-P442 HydrophobicContact CD1-CG 3.94Å; I375-P442 HydrophobicContact CG1-CB 4.12Å; I375-P442 HydrophobicContact CG1-CG 4.25Å; I439-P442 HydrophobicContact CD1-CB 4.34Å; P442-I454 HydrophobicContact CB-CD1 3.92Å; P442-I454 HydrophobicContact CB-CG1 4.31Å; P442-A455 WeakPolarHBondContact CA-O 3.49Å |
| 443 | T | 89.9 | Confident | 84.5 | Confident | 99 Ų | 99 | 64.9 Ų | 64.9 | 61% | 0.607 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 112.9 | 173.4 | -58 | 0 | 0 | 0 | 0 | 108.7 | N441 I454 A455 | N441-T443 PolarHBondContact O-N 2.92Å; T443-I454 WeakPolarHBondContact O-CA 3.39Å; T443-A455 PolarHBondContact N-O 2.8Å; T443-A455 PolarHBondContact O-N 3.13Å |
| 444 | V | 92.5 | Very high | 86.7 | Confident | 17 Ų | 17 | 52.8 Ų | 52.8 | 10% | 0.103 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 126 | 179.7 | -176.4 | 0 | 0 | 0 | 0 | 110.6 | K371 I374 I375 L446 A452 C453 I454 | K371-V444 HydrophobicContact CB-CB 4.06Å; K371-V444 HydrophobicContact CB-CG1 4.21Å; K371-V444 HydrophobicContact CB-CG2 4.38Å; K371-V444 HydrophobicContact CD-CB 4.38Å; K371-V444 HydrophobicContact CG-CB 3.92Å; K371-V444 HydrophobicContact CG-CG1 3.95Å; I374-V444 HydrophobicContact CB-CG1 4.06Å; I374-V444 HydrophobicContact CB-CG2 4.36Å; I374-V444 HydrophobicContact CG1-CG1 4.15Å; I374-V444 HydrophobicContact CG2-CG1 4.12Å; I374-V444 HydrophobicContact CG2-CG2 4.29Å; I375-V444 HydrophobicContact CD1-CG2 4.2Å; I375-V444 HydrophobicContact CG1-CG2 3.8Å; V444-L446 HydrophobicContact CG1-CD2 4.11Å; V444-A452 HydrophobicContact CG1-CB 4.48Å; V444-C453 CarbonylContact C-O 3.56Å; V444-C453 WeakPolarHBondContact CA-O 3.43Å; V444-I454 HydrophobicContact CG2-CB 4.2Å; V444-I454 HydrophobicContact CG2-CD1 3.92Å; V444-I454 HydrophobicContact CG2-CG1 3.8Å |
| 445 | H | 89.8 | Confident | 88.3 | Confident | 125 Ų | 125 | 51.7 Ų | 51.7 | 58% | 0.579 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 114.7 | 171.7 | -169 | 76.9 | 0 | 0 | 0 | 109.9 | A452 C453 | H445-A452 CarbonylContact O-C 3.3Å; H445-A452 WeakPolarHBondContact O-CA 3.3Å; H445-C453 PolarHBondContact N-O 3.37Å; H445-C453 PolarHBondContact O-N 2.97Å |
| 446 | L | 88.1 | Confident | 89.3 | Confident | 44 Ų | 44 | 50.4 Ų | 50.4 | 23% | 0.23 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 123.9 | 175.8 | -59.3 | -178.6 | 0 | 0 | 0 | 109.1 | V367 K370 K371 V444 A452 | V367-L446 HydrophobicContact CG1-CD1 4Å; K370-L446 HydrophobicContact CB-CD1 3.97Å; K370-L446 HydrophobicContact CB-CD2 4.3Å; K370-L446 HydrophobicContact CD-CD1 4.24Å; K371-L446 HydrophobicContact CG-CG 4.38Å; V444-L446 HydrophobicContact CG1-CD2 4.11Å; L446-A452 HydrophobicContact CD2-CB 3.9Å |
| 447 | M | 82.7 | Confident | 89.9 | Confident | 40 Ų | 40 | 47 Ų | 47 | 20% | 0.197 | 27% | 0.27 | C | S | . | . | trans | -101 | -0.2 | -175.8 | -54.5 | 174.2 | 81.3 | 0 | 0 | 112 | I302 M306 A451 C453 | I302-M447 HydrophobicContact CG2-CE 3.21Å; I302-M447 HydrophobicContact CG2-SD 4.39Å; M306-M447 HydrophobicContact CE-CB 3.86Å; M306-M447 HydrophobicContact CE-CE 3.98Å; M306-M447 HydrophobicContact CG-CE 3.59Å; M306-M447 HydrophobicContact SD-CB 4.48Å; M306-M447 HydrophobicContact SD-CE 3.09Å; M306-M447 WeakPolarHBondContact SD-CE 3.13Å; M447-A451 HydrophobicContact CB-CB 4.04Å; M447-A451 PolarHBondContact N-O 3.33Å; M447-C453 HydrophobicContact SD-CB 3.86Å | ||
| 448 | G | 81.8 | Confident | 90.1 | Very high | 42 Ų | 42 | 46 Ų | 46 | 43% | 0.433 | 26% | 0.264 | S | S | . | . | S | Bend | trans | 163 | -170.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | D450 A451 | G448-D450 VanDerWaalsContact C-N 3.33Å; G448-A451 PolarHBondContact N-O 2.91Å |
| 449 | E | 82.8 | Confident | 90 | Very high | 131 Ų | 131 | 45.4 Ų | 45.4 | 61% | 0.612 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -70.5 | -31.3 | 176.9 | -65.6 | -163 | 142 | 0 | 0 | 113.3 | R482 | E449-R482 PolarHBondContact O-NH1 2.88Å; E449-R482 PolarHBondContact O-NH2 2.96Å |
| 450 | D | 89.7 | Confident | 89.7 | Confident | 38 Ų | 38 | 44.7 Ų | 44.7 | 20% | 0.203 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -116.9 | 14.2 | -173.6 | -62.3 | -57.2 | 0 | 0 | 0 | 112.9 | G448 V481 R482 | G448-D450 VanDerWaalsContact C-N 3.33Å; D450-V481 CarbonylContact O-C 3.58Å; D450-V481 VanDerWaalsContact O-CA 3.26Å; D450-V481 WeakPolarHBondContact O-CA 3.49Å; D450-R482 HydrophobicContact CB-CB 4.07Å; D450-R482 PolarHBondContact O-N 3.16Å; D450-R482 IonicContact OD1-CZ 3.72Å; D450-R482 IonicContact OD1-NE 3.26Å; D450-R482 PolarHBondContact OD1-NE 3.32Å; D450-R482 IonicContact OD1-NH2 2.86Å; D450-R482 PolarHBondContact OD1-NH2 3.08Å |
| 451 | A | 93 | Very high | 89.4 | Confident | 10 Ų | 10 | 45 Ų | 45 | 8% | 0.083 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 138.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | M447 G448 W480 | M447-A451 HydrophobicContact CB-CB 4.04Å; M447-A451 PolarHBondContact N-O 3.33Å; G448-A451 PolarHBondContact N-O 2.91Å; A451-W480 WeakPolarHBondContact CA-O 3.34Å |
| 452 | A | 94.2 | Very high | 89 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 152.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I374 V444 H445 L446 W480 W488 | I374-A452 HydrophobicContact CD1-CB 3.57Å; I374-A452 HydrophobicContact CG1-CB 3.59Å; I374-A452 HydrophobicContact CG2-CB 4.42Å; V444-A452 HydrophobicContact CG1-CB 4.48Å; H445-A452 CarbonylContact O-C 3.3Å; H445-A452 WeakPolarHBondContact O-CA 3.3Å; L446-A452 HydrophobicContact CD2-CB 3.9Å; A452-W480 PolarHBondContact N-O 3.06Å; A452-W480 PolarHBondContact O-N 3.05Å; A452-W488 HydrophobicContact CB-CH2 4.43Å; A452-W488 HydrophobicContact CB-CZ3 4.42Å |
| 453 | C | 96.2 | Very high | 88 | Confident | 23 Ų | 23 | 41.2 Ų | 41.2 | 16% | 0.155 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 138.3 | 169.1 | -175.5 | 0 | 0 | 0 | 0 | 108.3 | V444 H445 M447 T477 R478 | V444-C453 CarbonylContact C-O 3.56Å; V444-C453 WeakPolarHBondContact CA-O 3.43Å; H445-C453 PolarHBondContact N-O 3.37Å; H445-C453 PolarHBondContact O-N 2.97Å; M447-C453 HydrophobicContact SD-CB 3.86Å; C453-T477 VanDerWaalsContact SG-CG2 3.55Å; C453-R478 CarbonylContact C-O 3.59Å; C453-R478 WeakPolarHBondContact CA-O 3.28Å |
| 454 | I | 96.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 132.9 | 172.5 | -173.2 | 178 | 0 | 0 | 0 | 109.1 | I374 I375 T378 P442 T443 V444 Y456 T477 R478 | I374-I454 HydrophobicContact CG2-CB 3.87Å; I374-I454 HydrophobicContact CG2-CD1 4.28Å; I374-I454 HydrophobicContact CG2-CG2 4.02Å; I375-I454 HydrophobicContact CG1-CD1 4.01Å; T378-I454 HydrophobicContact CG2-CD1 4.49Å; P442-I454 HydrophobicContact CB-CD1 3.92Å; P442-I454 HydrophobicContact CB-CG1 4.31Å; T443-I454 WeakPolarHBondContact O-CA 3.39Å; V444-I454 HydrophobicContact CG2-CB 4.2Å; V444-I454 HydrophobicContact CG2-CD1 3.92Å; V444-I454 HydrophobicContact CG2-CG1 3.8Å; I454-Y456 HydrophobicContact CD1-CD1 4.18Å; I454-Y456 HydrophobicContact CG1-CD1 4.01Å; I454-Y456 HydrophobicContact CG2-CD1 4.39Å; I454-Y456 HydrophobicContact CG2-CE1 4.25Å; I454-T477 CarbonylContact O-C 3.58Å; I454-T477 WeakPolarHBondContact O-CA 3.49Å; I454-R478 HydrophobicContact CG2-CB 3.8Å; I454-R478 PolarHBondContact N-O 3.37Å; I454-R478 PolarHBondContact O-N 2.9Å |
| 455 | A | 94.5 | Very high | 86.1 | Confident | 38 Ų | 38 | 45.3 Ų | 45.3 | 31% | 0.314 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 135.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | P442 T443 E476 | P442-A455 WeakPolarHBondContact CA-O 3.49Å; T443-A455 PolarHBondContact N-O 2.8Å; T443-A455 PolarHBondContact O-N 3.13Å; A455-E476 WeakPolarHBondContact CA-O 3.33Å |
| 456 | Y | 93.3 | Very high | 85.7 | Confident | 8 Ų | 8 | 44.8 Ų | 44.8 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 161.1 | -178 | 58.2 | -85.7 | 0 | 0 | 0 | 111.2 | T378 L382 I439 I454 R458 E476 R478 | T378-Y456 HydrophobicContact CG2-CD1 4.38Å; T378-Y456 HydrophobicContact CG2-CE1 3.58Å; L382-Y456 HydrophobicContact CD1-CE2 4.03Å; I439-Y456 HydrophobicContact CB-CD2 3.69Å; I439-Y456 HydrophobicContact CB-CE2 4.28Å; I439-Y456 HydrophobicContact CB-CG 4.11Å; I439-Y456 HydrophobicContact CG2-CD2 3.37Å; I439-Y456 HydrophobicContact CG2-CE2 3.43Å; I439-Y456 VanDerWaalsContact CG2-CE2 3.43Å; I439-Y456 HydrophobicContact CG2-CG 4.1Å; I454-Y456 HydrophobicContact CD1-CD1 4.18Å; I454-Y456 HydrophobicContact CG1-CD1 4.01Å; I454-Y456 HydrophobicContact CG2-CD1 4.39Å; I454-Y456 HydrophobicContact CG2-CE1 4.25Å; Y456-R458 HydrophobicContact CD2-CB 4.17Å; Y456-R458 HydrophobicContact CE2-CB 3.88Å; Y456-R458 HydrophobicContact CE2-CG 4.44Å; Y456-E476 HydrophobicContact CD2-CB 4.39Å; Y456-E476 HydrophobicContact CE1-CB 4.13Å; Y456-E476 HydrophobicContact CE2-CB 3.79Å; Y456-E476 HydrophobicContact CE2-CG 4.41Å; Y456-E476 PolarHBondContact N-O 3Å; Y456-E476 PolarHBondContact O-N 2.91Å; Y456-E476 PolarHBondContact OH-OE2 2.94Å; Y456-R478 HydrophobicContact CE1-CG 4.14Å; Y456-R478 PolarHBondContact OH-NE 3.35Å |
| 457 | T | 90.7 | Very high | 85.2 | Confident | 37 Ų | 37 | 44.8 Ų | 44.8 | 23% | 0.227 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 121 | 166.9 | -55.1 | 0 | 0 | 0 | 0 | 108.4 | L440 Q473 T474 | L440-T457 PolarHBondContact N-O 2.99Å; L440-T457 PolarHBondContact O-N 2.63Å; L440-T457 VanDerWaalsContact O-N 3.07Å; T457-Q473 HydrophobicContact CG2-CB 4.44Å; T457-T474 CarbonylContact C-O 3.56Å; T457-T474 WeakPolarHBondContact CA-O 3.49Å |
| 458 | R | 90.5 | Very high | 85 | Confident | 6 Ų | 6 | 48.4 Ų | 48.4 | 2% | 0.023 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 126.2 | 175.7 | -171.6 | -179 | 171.2 | 179.9 | -6.9 | 110.3 | T437 S438 Y456 Q473 T474 E476 L522 | T437-R458 HydrophobicContact CG2-CG 3.73Å; S438-R458 WeakPolarHBondContact O-CA 3.33Å; Y456-R458 HydrophobicContact CD2-CB 4.17Å; Y456-R458 HydrophobicContact CE2-CB 3.88Å; Y456-R458 HydrophobicContact CE2-CG 4.44Å; R458-Q473 WeakPolarHBondContact O-CA 3.18Å; R458-T474 PolarHBondContact N-O 3.01Å; R458-T474 PolarHBondContact O-N 3.42Å; R458-E476 WeakPolarHBondContact CD-OE1 3.39Å; R458-E476 IonicContact CZ-OE1 2.83Å; R458-E476 IonicContact NE-OE1 2.8Å; R458-E476 IonicContact NH1-OE1 3.8Å; R458-E476 PolarHBondContact NH1-OE1 2.92Å; R458-E476 IonicContact NH1-OE2 3.22Å; R458-L522 PolarHBondContact NH1-O 3.32Å; R458-L522 PolarHBondContact NH1-OXT 3.45Å; R458-L522 PolarHBondContact NH2-O 3.43Å |
| 459 | L | 85.6 | Confident | 85 | Confident | 23 Ų | 23 | 51 Ų | 51 | 12% | 0.12 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 124.1 | 169.1 | -163.1 | 73.3 | 0 | 0 | 0 | 108.8 | T437 S438 L440 Q461 T471 Q472 Q473 | T437-L459 WeakPolarHBondContact CA-O 3.09Å; S438-L459 PolarHBondContact N-O 3.25Å; S438-L459 PolarHBondContact O-N 2.97Å; L440-L459 HydrophobicContact CD1-CB 4.34Å; L459-Q461 HydrophobicContact CD2-CG 4.12Å; L459-Q461 HydrophobicContact CG-CG 4.11Å; L459-T471 HydrophobicContact CD1-CG2 3.32Å; L459-T471 HydrophobicContact CD2-CG2 4.39Å; L459-T471 HydrophobicContact CG-CG2 3.89Å; L459-Q472 WeakPolarHBondContact CA-O 3.47Å; L459-Q473 HydrophobicContact CD1-CG 3.53Å |
| 460 | T | 84.8 | Confident | 84.8 | Confident | 7 Ų | 7 | 48.3 Ų | 48.3 | 4% | 0.043 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 119.7 | 174.9 | -57.1 | 0 | 0 | 0 | 0 | 108.7 | I435 F462 T471 Q472 | I435-T460 HydrophobicContact CG2-CG2 4.05Å; T460-F462 HydrophobicContact CG2-CD1 4.41Å; T460-T471 CarbonylContact O-C 3.57Å; T460-T471 WeakPolarHBondContact O-CA 3.41Å; T460-Q472 PolarHBondContact N-O 3Å; T460-Q472 PolarHBondContact O-N 2.77Å |
| 461 | Q | 81.2 | Confident | 84.5 | Confident | 74 Ų | 74 | 50.4 Ų | 50.4 | 35% | 0.346 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 132.5 | -177.3 | -55.2 | -176.7 | -71.3 | 0 | 0 | 109.7 | I435 H436 L459 H470 T471 | I435-Q461 CarbonylContact C-O 3.6Å; I435-Q461 WeakPolarHBondContact CA-O 3.32Å; H436-Q461 HydrophobicContact CB-CB 4.43Å; H436-Q461 PolarHBondContact N-O 3.02Å; H436-Q461 PolarHBondContact O-N 3.09Å; L459-Q461 HydrophobicContact CD2-CG 4.12Å; L459-Q461 HydrophobicContact CG-CG 4.11Å; Q461-H470 VanDerWaalsContact CA-O 3.27Å; Q461-H470 WeakPolarHBondContact CA-O 3.28Å; Q461-T471 HydrophobicContact CG-CG2 4.13Å; Q461-T471 PolarHBondContact NE2-OG1 2.86Å |
| 462 | F | 76.7 | Confident | 84 | Confident | 17 Ų | 17 | 51.3 Ų | 51.3 | 8% | 0.075 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 159.2 | -178.2 | 61.3 | -87.6 | 0 | 0 | 0 | 111.6 | I435 T460 P469 H470 F518 Y520 | I435-F462 HydrophobicContact CG1-CB 3.75Å; T460-F462 HydrophobicContact CG2-CD1 4.41Å; F462-P469 WeakPolarHBondContact O-CA 3.47Å; F462-H470 HydrophobicContact CD1-CB 4.29Å; F462-H470 HydrophobicContact CD2-CB 4.19Å; F462-H470 HydrophobicContact CE1-CB 3.86Å; F462-H470 HydrophobicContact CE2-CB 3.74Å; F462-H470 AromaticContact CE2-CD2 3.96Å; F462-H470 HydrophobicContact CG-CB 4.45Å; F462-H470 HydrophobicContact CZ-CB 3.57Å; F462-H470 PolarHBondContact N-O 3.49Å; F462-H470 PolarHBondContact O-N 3.06Å; F462-F518 HydrophobicContact CZ-CB 4.23Å; F462-Y520 HydrophobicContact CD1-CD2 4.27Å; F462-Y520 HydrophobicContact CD1-CE2 4.5Å; F462-Y520 HydrophobicContact CD2-CE2 4.09Å; F462-Y520 AromaticContact CE1-CD2 3.9Å; F462-Y520 HydrophobicContact CE1-CD2 3.9Å; F462-Y520 HydrophobicContact CE1-CE2 4.29Å; F462-Y520 HydrophobicContact CE2-CD2 4.28Å; F462-Y520 AromaticContact CE2-CE2 3.86Å; F462-Y520 HydrophobicContact CE2-CE2 3.86Å; F462-Y520 HydrophobicContact CG-CE2 4.4Å; F462-Y520 AromaticContact CZ-CD2 3.9Å; F462-Y520 HydrophobicContact CZ-CD2 3.9Å; F462-Y520 AromaticContact CZ-CE2 3.96Å; F462-Y520 HydrophobicContact CZ-CE2 3.96Å |
| 463 | L | 74.6 | Confident | 83.6 | Confident | 87 Ų | 87 | 56 Ų | 56 | 46% | 0.455 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 134.8 | 168.4 | -59.4 | -180 | 0 | 0 | 0 | 109.3 | M468 P469 | L463-M468 WeakPolarHBondContact CA-O 3.41Å; L463-P469 HydrophobicContact CD2-CB 3.86Å |
| 464 | D | 70.6 | Confident | 83.3 | Confident | 41 Ų | 41 | 55 Ų | 55 | 22% | 0.219 | 31% | 0.306 | C | S | . | . | trans | -78.2 | -177.4 | 171.4 | 70.6 | 18.8 | 0 | 0 | 0 | 112.6 | C466 G467 M468 H470 | D464-C466 PolarHBondContact O-N 3.11Å; D464-C466 WeakPolarHBondContact OD1-CA 3.22Å; D464-C466 WeakPolarHBondContact OD1-CB 3.46Å; D464-C466 PolarHBondContact OD1-N 2.92Å; D464-G467 PolarHBondContact O-N 3.06Å; D464-G467 PolarHBondContact OD1-N 3.25Å; D464-G467 VanDerWaalsContact OD1-N 3.08Å; D464-M468 PolarHBondContact N-O 3.45Å; D464-M468 PolarHBondContact OD1-N 3.38Å; D464-M468 WeakPolarHBondContact OD2-CB 3.44Å; D464-H470 IonicContact OD2-CD2 3.63Å; D464-H470 IonicContact OD2-CE1 3.89Å; D464-H470 IonicContact OD2-NE2 2.81Å; D464-H470 PolarHBondContact OD2-NE2 3.39Å | ||
| 465 | K | 71 | Confident | 83 | Confident | 161 Ų | 161 | 59.5 Ų | 59.5 | 70% | 0.7 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -22 | 179.3 | -64.8 | -178.8 | -179.3 | 176.8 | 0 | 113.8 | V431 | V431-K465 HydrophobicContact CG1-CG 3.75Å; V431-K465 HydrophobicContact CG2-CD 4.38Å; V431-K465 VanDerWaalsContact CG2-CE 3.47Å; V431-K465 HydrophobicContact CG2-CG 4.14Å |
| 466 | C | 81.5 | Confident | 83 | Confident | 114 Ų | 114 | 57.8 Ų | 57.8 | 77% | 0.77 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -1.5 | 177.1 | -64 | 0 | 0 | 0 | 0 | 112.1 | D464 M468 | D464-C466 PolarHBondContact O-N 3.11Å; D464-C466 WeakPolarHBondContact OD1-CA 3.22Å; D464-C466 WeakPolarHBondContact OD1-CB 3.46Å; D464-C466 PolarHBondContact OD1-N 2.92Å; C466-M468 VanDerWaalsContact C-N 3.32Å; C466-M468 HydrophobicContact CB-CG 4.38Å |
| 467 | G | 77.1 | Confident | 83 | Confident | 43 Ų | 43 | 59.3 Ų | 59.3 | 44% | 0.443 | 32% | 0.322 | S | S | . | . | S | Bend | trans | 79.5 | 11.6 | -175 | 0 | 0 | 0 | 0 | 0 | 113.7 | D464 | D464-G467 PolarHBondContact O-N 3.06Å; D464-G467 PolarHBondContact OD1-N 3.25Å; D464-G467 VanDerWaalsContact OD1-N 3.08Å |
| 468 | M | 78.8 | Confident | 83.3 | Confident | 116 Ų | 116 | 57.6 Ų | 57.6 | 57% | 0.571 | 31% | 0.312 | S | S | * | . | trans | -79.9 | 133 | 177.3 | -65.4 | -67.1 | -71.3 | 0 | 0 | 110.1 | L463 D464 C466 H470 | L463-M468 WeakPolarHBondContact CA-O 3.41Å; D464-M468 PolarHBondContact N-O 3.45Å; D464-M468 PolarHBondContact OD1-N 3.38Å; D464-M468 WeakPolarHBondContact OD2-CB 3.44Å; C466-M468 VanDerWaalsContact C-N 3.32Å; C466-M468 HydrophobicContact CB-CG 4.38Å; M468-H470 PolarHBondContact O-CD2 2.85Å; M468-H470 VanDerWaalsContact O-CD2 3.29Å | ||
| 469 | P | 82.4 | Confident | 83.6 | Confident | 96 Ų | 96 | 57.7 Ų | 57.7 | 62% | 0.623 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 133.4 | 177.5 | 30.6 | -33.5 | 0 | 0 | 0 | 111.4 | F462 L463 | F462-P469 WeakPolarHBondContact O-CA 3.47Å; L463-P469 HydrophobicContact CD2-CB 3.86Å |
| 470 | H | 78.3 | Confident | 84.1 | Confident | 76 Ų | 76 | 56.6 Ų | 56.6 | 35% | 0.352 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 146.8 | 172.9 | -68.5 | -81.5 | 0 | 0 | 0 | 109.8 | Q461 F462 D464 M468 | Q461-H470 VanDerWaalsContact CA-O 3.27Å; Q461-H470 WeakPolarHBondContact CA-O 3.28Å; F462-H470 HydrophobicContact CD1-CB 4.29Å; F462-H470 HydrophobicContact CD2-CB 4.19Å; F462-H470 HydrophobicContact CE1-CB 3.86Å; F462-H470 HydrophobicContact CE2-CB 3.74Å; F462-H470 AromaticContact CE2-CD2 3.96Å; F462-H470 HydrophobicContact CG-CB 4.45Å; F462-H470 HydrophobicContact CZ-CB 3.57Å; F462-H470 PolarHBondContact N-O 3.49Å; F462-H470 PolarHBondContact O-N 3.06Å; D464-H470 IonicContact OD2-CD2 3.63Å; D464-H470 IonicContact OD2-CE1 3.89Å; D464-H470 IonicContact OD2-NE2 2.81Å; D464-H470 PolarHBondContact OD2-NE2 3.39Å; M468-H470 PolarHBondContact O-CD2 2.85Å; M468-H470 VanDerWaalsContact O-CD2 3.29Å |
| 471 | T | 83.3 | Confident | 84.5 | Confident | 81 Ų | 81 | 56.5 Ų | 56.5 | 50% | 0.497 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 124.4 | 173.6 | -66.2 | 0 | 0 | 0 | 0 | 108.4 | L459 T460 Q461 | L459-T471 HydrophobicContact CD1-CG2 3.32Å; L459-T471 HydrophobicContact CD2-CG2 4.39Å; L459-T471 HydrophobicContact CG-CG2 3.89Å; T460-T471 CarbonylContact O-C 3.57Å; T460-T471 WeakPolarHBondContact O-CA 3.41Å; Q461-T471 HydrophobicContact CG-CG2 4.13Å; Q461-T471 PolarHBondContact NE2-OG1 2.86Å |
| 472 | Q | 83.2 | Confident | 84.9 | Confident | 29 Ų | 29 | 56.9 Ų | 56.9 | 14% | 0.136 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 141.8 | 177.3 | -176 | 172 | 30.4 | 0 | 0 | 109.7 | L459 T460 T474 N519 | L459-Q472 WeakPolarHBondContact CA-O 3.47Å; T460-Q472 PolarHBondContact N-O 3Å; T460-Q472 PolarHBondContact O-N 2.77Å; Q472-T474 HydrophobicContact CG-CG2 4.41Å; Q472-N519 PolarHBondContact NE2-OD1 3.38Å |
| 473 | Q | 85.8 | Confident | 85.3 | Confident | 99 Ų | 99 | 59.2 Ų | 59.2 | 46% | 0.463 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 137.2 | 172.6 | -69.6 | -177.7 | 9.7 | 0 | 0 | 110.2 | T457 R458 L459 L498 | T457-Q473 HydrophobicContact CG2-CB 4.44Å; R458-Q473 WeakPolarHBondContact O-CA 3.18Å; L459-Q473 HydrophobicContact CD1-CG 3.53Å; Q473-L498 HydrophobicContact CB-CD1 4.17Å |
| 474 | T | 88.1 | Confident | 85.3 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.012 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 148.3 | 172.6 | 54.7 | 0 | 0 | 0 | 0 | 109.8 | T457 R458 Q472 | T457-T474 CarbonylContact C-O 3.56Å; T457-T474 WeakPolarHBondContact CA-O 3.49Å; R458-T474 PolarHBondContact N-O 3.01Å; R458-T474 PolarHBondContact O-N 3.42Å; Q472-T474 HydrophobicContact CG-CG2 4.41Å |
| 475 | E | 91 | Very high | 85.5 | Confident | 94 Ų | 94 | 65.2 Ų | 65.2 | 44% | 0.439 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 122.6 | 174.4 | -65.5 | 178.9 | 136.3 | 0 | 0 | 108.3 | R495 S496 L498 | E475-R495 WeakPolarHBondContact O-CA 3.39Å; E475-S496 PolarHBondContact N-O 3.15Å; E475-S496 VanDerWaalsContact N-O 3.12Å; E475-S496 PolarHBondContact O-N 3.31Å; E475-L498 HydrophobicContact CG-CG 4.39Å |
| 476 | E | 93.6 | Very high | 85.9 | Confident | 3 Ų | 3 | 64 Ų | 64 | 1% | 0.014 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 138.4 | -175.7 | -70.5 | -175.4 | -160.2 | 0 | 0 | 110.5 | A455 Y456 R458 R478 H494 R495 | A455-E476 WeakPolarHBondContact CA-O 3.33Å; Y456-E476 HydrophobicContact CD2-CB 4.39Å; Y456-E476 HydrophobicContact CE1-CB 4.13Å; Y456-E476 HydrophobicContact CE2-CB 3.79Å; Y456-E476 HydrophobicContact CE2-CG 4.41Å; Y456-E476 PolarHBondContact N-O 3Å; Y456-E476 PolarHBondContact O-N 2.91Å; Y456-E476 PolarHBondContact OH-OE2 2.94Å; R458-E476 WeakPolarHBondContact CD-OE1 3.39Å; R458-E476 IonicContact CZ-OE1 2.83Å; R458-E476 IonicContact NE-OE1 2.8Å; R458-E476 IonicContact NH1-OE1 3.8Å; R458-E476 PolarHBondContact NH1-OE1 2.92Å; R458-E476 IonicContact NH1-OE2 3.22Å; E476-R478 IonicContact OE2-CZ 3.35Å; E476-R478 IonicContact OE2-NE 2.99Å; E476-R478 IonicContact OE2-NH2 3.44Å; E476-R478 PolarHBondContact OE2-NH2 3.08Å; E476-H494 CarbonylContact C-O 3.52Å; E476-H494 WeakPolarHBondContact CA-O 3.3Å; E476-R495 HydrophobicContact CG-CB 4.16Å; E476-R495 HydrophobicContact CG-CG 3.75Å |
| 477 | T | 95.2 | Very high | 86.2 | Confident | 39 Ų | 39 | 60.1 Ų | 60.1 | 24% | 0.239 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 129.3 | 168 | -60.5 | 0 | 0 | 0 | 0 | 108.9 | C453 I454 V493 H494 | C453-T477 VanDerWaalsContact SG-CG2 3.55Å; I454-T477 CarbonylContact O-C 3.58Å; I454-T477 WeakPolarHBondContact O-CA 3.49Å; T477-V493 WeakPolarHBondContact O-CA 3.23Å; T477-H494 PolarHBondContact N-O 3.18Å; T477-H494 PolarHBondContact O-N 3.33Å |
| 478 | R | 96 | Very high | 87 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.008 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 139.6 | 178.5 | -58.9 | -163.6 | 179.1 | -112 | -6.5 | 111.5 | L381 C453 I454 Y456 E476 N490 H492 V493 | L381-R478 VanDerWaalsContact CD2-NH1 3.32Å; C453-R478 CarbonylContact C-O 3.59Å; C453-R478 WeakPolarHBondContact CA-O 3.28Å; I454-R478 HydrophobicContact CG2-CB 3.8Å; I454-R478 PolarHBondContact N-O 3.37Å; I454-R478 PolarHBondContact O-N 2.9Å; Y456-R478 HydrophobicContact CE1-CG 4.14Å; Y456-R478 PolarHBondContact OH-NE 3.35Å; E476-R478 IonicContact OE2-CZ 3.35Å; E476-R478 IonicContact OE2-NE 2.99Å; E476-R478 IonicContact OE2-NH2 3.44Å; E476-R478 PolarHBondContact OE2-NH2 3.08Å; R478-N490 PolarHBondContact NH1-OD1 3.09Å; R478-H492 WeakPolarHBondContact CA-O 3.42Å; R478-V493 HydrophobicContact CG-CG2 4.03Å |
| 479 | V | 96.6 | Very high | 87.8 | Confident | 7 Ų | 7 | 54.2 Ų | 54.2 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 130.2 | 171.8 | -173.1 | 0 | 0 | 0 | 0 | 108.7 | I302 N490 V491 H492 | I302-V479 HydrophobicContact CD1-CG2 4.33Å; I302-V479 HydrophobicContact CG1-CG2 4.06Å; V479-N490 WeakPolarHBondContact O-CA 3.44Å; V479-N490 PolarHBondContact O-ND2 2.77Å; V479-V491 HydrophobicContact CB-CG2 3.71Å; V479-V491 HydrophobicContact CG1-CG2 3.56Å; V479-V491 WeakPolarHBondContact O-CG2 3.49Å; V479-V491 PolarHBondContact O-N 2.63Å; V479-H492 HydrophobicContact CB-CB 4.12Å; V479-H492 HydrophobicContact CG2-CB 4.12Å; V479-H492 PolarHBondContact N-O 3.03Å |
| 480 | W | 95.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 138.2 | -177.6 | -69.9 | 94 | 0 | 0 | 0 | 110.3 | I374 A377 T378 L381 F396 A451 A452 W488 Q489 N490 | I374-W480 HydrophobicContact CD1-CB 4.1Å; I374-W480 HydrophobicContact CD1-CG 4.44Å; I374-W480 HydrophobicContact CG2-CG 4.41Å; A377-W480 HydrophobicContact CB-CE3 4.49Å; A377-W480 HydrophobicContact CB-CH2 4.01Å; A377-W480 HydrophobicContact CB-CZ2 4.34Å; A377-W480 HydrophobicContact CB-CZ3 4.1Å; T378-W480 PolarHBondContact OG1-NE1 3.19Å; T378-W480 VanDerWaalsContact OG1-NE1 3.16Å; L381-W480 HydrophobicContact CB-CH2 4.11Å; L381-W480 HydrophobicContact CB-CZ2 4.49Å; L381-W480 HydrophobicContact CD1-CH2 3.59Å; L381-W480 HydrophobicContact CD1-CZ2 3.94Å; F396-W480 HydrophobicContact CB-CH2 4.26Å; F396-W480 HydrophobicContact CB-CZ3 4.32Å; F396-W480 HydrophobicContact CD1-CH2 4.1Å; F396-W480 HydrophobicContact CD1-CZ3 4.1Å; A451-W480 WeakPolarHBondContact CA-O 3.34Å; A452-W480 PolarHBondContact N-O 3.06Å; A452-W480 PolarHBondContact O-N 3.05Å; W480-W488 HydrophobicContact CB-CE3 3.83Å; W480-W488 HydrophobicContact CB-CZ3 4.24Å; W480-W488 HydrophobicContact CE3-CB 3.75Å; W480-W488 HydrophobicContact CZ3-CB 4.12Å; W480-Q489 CarbonylContact C-O 3.54Å; W480-Q489 WeakPolarHBondContact CA-O 3.35Å; W480-Q489 VanDerWaalsContact CE3-C 3.41Å; W480-N490 HydrophobicContact CD2-CB 4.11Å; W480-N490 HydrophobicContact CE3-CB 3.91Å; W480-N490 VanDerWaalsContact CE3-N 3.31Å; W480-N490 HydrophobicContact CH2-CB 3.9Å; W480-N490 HydrophobicContact CZ2-CB 4.05Å; W480-N490 HydrophobicContact CZ3-CB 3.81Å |
| 481 | V | 93.6 | Very high | 89.1 | Confident | 6 Ų | 6 | 46.5 Ų | 46.5 | 4% | 0.036 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 130.6 | 172.9 | 176.9 | 0 | 0 | 0 | 0 | 108.7 | T309 D450 Q489 V491 | T309-V481 HydrophobicContact CG2-CG1 4.06Å; T309-V481 HydrophobicContact CG2-CG2 4.32Å; D450-V481 CarbonylContact O-C 3.58Å; D450-V481 VanDerWaalsContact O-CA 3.26Å; D450-V481 WeakPolarHBondContact O-CA 3.49Å; V481-Q489 PolarHBondContact N-O 3.06Å; V481-Q489 PolarHBondContact O-N 3.1Å; V481-V491 HydrophobicContact CB-CG1 3.97Å; V481-V491 HydrophobicContact CG2-CG1 3.73Å; V481-V491 HydrophobicContact CG2-CG2 4.06Å |
| 482 | R | 89.8 | Confident | 89.7 | Confident | 81 Ų | 81 | 43.3 Ų | 43.3 | 31% | 0.306 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 124.6 | 174 | -169 | 171.5 | 64.9 | -146.8 | 3.4 | 109.2 | E449 D450 G487 W488 | E449-R482 PolarHBondContact O-NH1 2.88Å; E449-R482 PolarHBondContact O-NH2 2.96Å; D450-R482 HydrophobicContact CB-CB 4.07Å; D450-R482 PolarHBondContact O-N 3.16Å; D450-R482 IonicContact OD1-CZ 3.72Å; D450-R482 IonicContact OD1-NE 3.26Å; D450-R482 PolarHBondContact OD1-NE 3.32Å; D450-R482 IonicContact OD1-NH2 2.86Å; D450-R482 PolarHBondContact OD1-NH2 3.08Å; R482-G487 WeakPolarHBondContact CA-O 3.41Å; R482-W488 HydrophobicContact CB-CD2 4.02Å; R482-W488 HydrophobicContact CB-CE3 3.78Å; R482-W488 HydrophobicContact CB-CH2 4.02Å; R482-W488 HydrophobicContact CB-CZ2 4.25Å; R482-W488 HydrophobicContact CB-CZ3 3.79Å; R482-W488 HydrophobicContact CG-CD2 4.48Å |
| 483 | R | 85.3 | Confident | 90.2 | Very high | 67 Ų | 67 | 42 Ų | 42 | 25% | 0.253 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 141.4 | 172 | -56.6 | -63.7 | -168.6 | 177.1 | 2.6 | 108.8 | D398 D485 R486 G487 Q489 | D398-R483 IonicContact OD2-CZ 3.44Å; D398-R483 IonicContact OD2-NE 3.68Å; D398-R483 PolarHBondContact OD2-NE 3.21Å; D398-R483 IonicContact OD2-NH2 3.54Å; D398-R483 PolarHBondContact OD2-NH2 3.22Å; R483-D485 PolarHBondContact O-N 3.4Å; R483-D485 VanDerWaalsContact O-N 3.11Å; R483-R486 HydrophobicContact CB-CB 4.45Å; R483-R486 PolarHBondContact O-N 3.48Å; R483-G487 PolarHBondContact N-O 2.83Å; R483-G487 PolarHBondContact O-N 3.11Å; R483-Q489 HydrophobicContact CB-CG 4.41Å; R483-Q489 HydrophobicContact CG-CB 4.43Å; R483-Q489 HydrophobicContact CG-CG 3.8Å |
| 484 | N | 73.7 | Confident | 90.5 | Very high | 124 Ų | 124 | 38.8 Ų | 38.8 | 66% | 0.663 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -25.1 | -173.3 | -72.7 | -34.1 | 0 | 0 | 0 | 114.2 | ||
| 485 | D | 76.3 | Confident | 90.6 | Very high | 130 Ų | 130 | 39 Ų | 39 | 70% | 0.695 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107 | -27.8 | -174 | 58 | -16.4 | 0 | 0 | 0 | 113.5 | R483 | R483-D485 PolarHBondContact O-N 3.4Å; R483-D485 VanDerWaalsContact O-N 3.11Å |
| 486 | R | 78.2 | Confident | 90.2 | Very high | 134 Ų | 134 | 36.7 Ų | 36.7 | 51% | 0.506 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | -1.1 | -171.5 | -68.7 | -166.7 | -84.2 | 175.2 | -3.8 | 115.3 | R483 Q489 | R483-R486 HydrophobicContact CB-CB 4.45Å; R483-R486 PolarHBondContact O-N 3.48Å; R486-Q489 HydrophobicContact CB-CG 4.29Å; R486-Q489 PolarHBondContact O-NE2 2.85Å |
| 487 | G | 88.6 | Confident | 89.1 | Confident | 33 Ų | 33 | 39 Ų | 39 | 34% | 0.34 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 71.5 | -147.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R482 R483 | R482-G487 WeakPolarHBondContact CA-O 3.41Å; R483-G487 PolarHBondContact N-O 2.83Å; R483-G487 PolarHBondContact O-N 3.11Å |
| 488 | W | 93.7 | Very high | 87.1 | Confident | 34 Ų | 34 | 41 Ų | 41 | 13% | 0.129 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 128.3 | -179.8 | -71.5 | 111.3 | 0 | 0 | 0 | 111.2 | I374 A377 A452 W480 R482 | I374-W488 HydrophobicContact CD1-CD2 3.5Å; I374-W488 VanDerWaalsContact CD1-CD2 3.5Å; I374-W488 VanDerWaalsContact CD1-CE2 3.43Å; I374-W488 HydrophobicContact CD1-CE3 3.61Å; I374-W488 HydrophobicContact CD1-CG 4.19Å; I374-W488 HydrophobicContact CD1-CH2 3.65Å; I374-W488 HydrophobicContact CD1-CZ2 3.53Å; I374-W488 HydrophobicContact CD1-CZ3 3.68Å; I374-W488 HydrophobicContact CG1-CZ2 4.45Å; A377-W488 HydrophobicContact CB-CB 4.2Å; A452-W488 HydrophobicContact CB-CH2 4.43Å; A452-W488 HydrophobicContact CB-CZ3 4.42Å; W480-W488 HydrophobicContact CB-CE3 3.83Å; W480-W488 HydrophobicContact CB-CZ3 4.24Å; W480-W488 HydrophobicContact CE3-CB 3.75Å; W480-W488 HydrophobicContact CZ3-CB 4.12Å; R482-W488 HydrophobicContact CB-CD2 4.02Å; R482-W488 HydrophobicContact CB-CE3 3.78Å; R482-W488 HydrophobicContact CB-CH2 4.02Å; R482-W488 HydrophobicContact CB-CZ2 4.25Å; R482-W488 HydrophobicContact CB-CZ3 3.79Å; R482-W488 HydrophobicContact CG-CD2 4.48Å |
| 489 | Q | 94.5 | Very high | 84.5 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 128.2 | 176.6 | -58.5 | -69.3 | -86.6 | 0 | 0 | 109 | K395 F396 L397 D398 W480 V481 R483 R486 V491 | K395-Q489 PolarHBondContact O-NE2 3.4Å; K395-Q489 PolarHBondContact O-OE1 3.4Å; F396-Q489 CarbonylContact O-C 3.57Å; F396-Q489 WeakPolarHBondContact O-CA 3.34Å; L397-Q489 PolarHBondContact O-OE1 2.77Å; L397-Q489 VanDerWaalsContact O-OE1 3.11Å; D398-Q489 HydrophobicContact CB-CB 4.26Å; W480-Q489 CarbonylContact C-O 3.54Å; W480-Q489 WeakPolarHBondContact CA-O 3.35Å; W480-Q489 VanDerWaalsContact CE3-C 3.41Å; V481-Q489 PolarHBondContact N-O 3.06Å; V481-Q489 PolarHBondContact O-N 3.1Å; R483-Q489 HydrophobicContact CB-CG 4.41Å; R483-Q489 HydrophobicContact CG-CB 4.43Å; R483-Q489 HydrophobicContact CG-CG 3.8Å; R486-Q489 HydrophobicContact CB-CG 4.29Å; R486-Q489 PolarHBondContact O-NE2 2.85Å; Q489-V491 PolarHBondContact O-N 2.74Å |
| 490 | N | 95.3 | Very high | 81.8 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 119.4 | 174.1 | -175.6 | -153.7 | 0 | 0 | 0 | 108.2 | L381 F396 L397 D398 F401 R478 V479 W480 H492 V493 | L381-N490 HydrophobicContact CD1-CB 3.91Å; F396-N490 PolarHBondContact O-N 3.4Å; L397-N490 HydrophobicContact CD2-CB 4.16Å; D398-N490 PolarHBondContact N-O 2.78Å; F401-N490 WeakPolarHBondContact CD2-O 3.43Å; R478-N490 PolarHBondContact NH1-OD1 3.09Å; V479-N490 WeakPolarHBondContact O-CA 3.44Å; V479-N490 PolarHBondContact O-ND2 2.77Å; W480-N490 HydrophobicContact CD2-CB 4.11Å; W480-N490 HydrophobicContact CE3-CB 3.91Å; W480-N490 VanDerWaalsContact CE3-N 3.31Å; W480-N490 HydrophobicContact CH2-CB 3.9Å; W480-N490 HydrophobicContact CZ2-CB 4.05Å; W480-N490 HydrophobicContact CZ3-CB 3.81Å; N490-H492 PolarHBondContact ND2-O 3.19Å; N490-V493 WeakPolarHBondContact OD1-CG2 3.21Å |
| 491 | V | 94.3 | Very high | 78.7 | Confident | 11 Ų | 11 | 53.6 Ų | 53.6 | 7% | 0.067 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | -27.5 | -177.7 | -63 | 0 | 0 | 0 | 0 | 112.2 | T305 D398 F401 T402 V479 V481 Q489 | T305-V491 HydrophobicContact CG2-CG2 4.31Å; D398-V491 HydrophobicContact CB-CB 4.35Å; D398-V491 HydrophobicContact CB-CG1 3.66Å; F401-V491 WeakPolarHBondContact CA-O 3.5Å; T402-V491 PolarHBondContact N-O 3.22Å; T402-V491 PolarHBondContact OG1-O 3.23Å; V479-V491 HydrophobicContact CB-CG2 3.71Å; V479-V491 HydrophobicContact CG1-CG2 3.56Å; V479-V491 WeakPolarHBondContact O-CG2 3.49Å; V479-V491 PolarHBondContact O-N 2.63Å; V481-V491 HydrophobicContact CB-CG1 3.97Å; V481-V491 HydrophobicContact CG2-CG1 3.73Å; V481-V491 HydrophobicContact CG2-CG2 4.06Å; Q489-V491 PolarHBondContact O-N 2.74Å |
| 492 | H | 94.8 | Very high | 75.5 | Confident | 14 Ų | 14 | 58.3 Ų | 58.3 | 7% | 0.065 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 143.2 | -179.7 | -176.6 | 69 | 0 | 0 | 0 | 111.7 | L298 T402 R478 V479 N490 | L298-H492 WeakPolarHBondContact CD1-NE2 3.42Å; T402-H492 CarbonylContact O-C 3.58Å; T402-H492 VanDerWaalsContact O-CA 3.25Å; T402-H492 WeakPolarHBondContact O-CA 3.26Å; T402-H492 PolarHBondContact O-ND1 3.2Å; T402-H492 PolarHBondContact OG1-ND1 3.25Å; R478-H492 WeakPolarHBondContact CA-O 3.42Å; V479-H492 HydrophobicContact CB-CB 4.12Å; V479-H492 HydrophobicContact CG2-CB 4.12Å; V479-H492 PolarHBondContact N-O 3.03Å; N490-H492 PolarHBondContact ND2-O 3.19Å |
| 493 | V | 93.8 | Very high | 72.5 | Confident | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.012 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 128.8 | 168.8 | 177.9 | 0 | 0 | 0 | 0 | 108.9 | F401 T402 Y403 F404 T477 R478 N490 | F401-V493 HydrophobicContact CE2-CB 4.38Å; F401-V493 HydrophobicContact CE2-CG2 3.62Å; F401-V493 HydrophobicContact CZ-CB 4.16Å; F401-V493 HydrophobicContact CZ-CG2 3.7Å; T402-V493 PolarHBondContact O-N 2.93Å; Y403-V493 CarbonylContact C-O 3.53Å; Y403-V493 WeakPolarHBondContact CA-O 3.49Å; Y403-V493 HydrophobicContact CD2-CB 3.92Å; Y403-V493 HydrophobicContact CD2-CG1 3.95Å; Y403-V493 HydrophobicContact CE2-CG1 4.08Å; F404-V493 PolarHBondContact N-O 3Å; T477-V493 WeakPolarHBondContact O-CA 3.23Å; R478-V493 HydrophobicContact CG-CG2 4.03Å; N490-V493 WeakPolarHBondContact OD1-CG2 3.21Å |
| 494 | H | 92.6 | Very high | 69.5 | Low | 31 Ų | 31 | 58.3 Ų | 58.3 | 14% | 0.144 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 126.7 | 164.2 | -171.6 | 123.6 | 0 | 0 | 0 | 108.1 | L298 F404 E476 T477 S496 | L298-H494 HydrophobicContact CD1-CB 4.45Å; L298-H494 HydrophobicContact CD2-CB 4.46Å; F404-H494 AromaticContact CD1-CE1 3.49Å; F404-H494 VanDerWaalsContact CD1-CE1 3.49Å; F404-H494 WeakPolarHBondContact CD1-CE1 3.46Å; F404-H494 AromaticContact CD1-ND1 3.76Å; F404-H494 AromaticContact CD1-NE2 3.89Å; F404-H494 AromaticContact CE1-CE1 3.9Å; F404-H494 CarbonylContact O-C 3.52Å; F404-H494 WeakPolarHBondContact O-CA 3.42Å; E476-H494 CarbonylContact C-O 3.52Å; E476-H494 WeakPolarHBondContact CA-O 3.3Å; T477-H494 PolarHBondContact N-O 3.18Å; T477-H494 PolarHBondContact O-N 3.33Å; H494-S496 PolarHBondContact NE2-OG 2.96Å |
| 495 | R | 89.7 | Confident | 67.1 | Low | 5 Ų | 5 | 56.1 Ų | 56.1 | 2% | 0.019 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 135.1 | 170.7 | -170.5 | 166.5 | 65 | 134.2 | 9.7 | 110.7 | Y403 F404 G405 P406 E407 E475 E476 Y520 P521 | Y403-R495 PolarHBondContact OH-NE 3.03Å; Y403-R495 PolarHBondContact OH-NH2 3.09Å; F404-R495 PolarHBondContact O-N 3.4Å; G405-R495 WeakPolarHBondContact CA-O 3.47Å; P406-R495 WeakPolarHBondContact CD-O 3.38Å; E407-R495 IonicContact OE1-CZ 3.78Å; E407-R495 IonicContact OE1-NH2 2.64Å; E407-R495 PolarHBondContact OE1-NH2 3.04Å; E407-R495 IonicContact OE2-CZ 2.75Å; E407-R495 IonicContact OE2-NH2 3.58Å; E407-R495 PolarHBondContact OE2-NH2 2.96Å; E475-R495 WeakPolarHBondContact O-CA 3.39Å; E476-R495 HydrophobicContact CG-CB 4.16Å; E476-R495 HydrophobicContact CG-CG 3.75Å; R495-Y520 PolarHBondContact NH1-O 3.26Å; R495-P521 PolarHBondContact NH2-O 2.79Å; R495-P521 VanDerWaalsContact NH2-O 3.15Å |
| 496 | S | 83.3 | Confident | 64.6 | Low | 47 Ų | 47 | 53.3 Ų | 53.3 | 33% | 0.329 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 135.6 | 171.5 | -75.3 | 0 | 0 | 0 | 0 | 109.1 | E475 H494 | E475-S496 PolarHBondContact N-O 3.15Å; E475-S496 VanDerWaalsContact N-O 3.12Å; E475-S496 PolarHBondContact O-N 3.31Å; H494-S496 PolarHBondContact NE2-OG 2.96Å |
| 497 | C | 69.4 | Low | 62.2 | Low | 50 Ų | 50 | 57.7 Ų | 57.7 | 34% | 0.338 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 131.2 | 167.9 | -87.3 | 0 | 0 | 0 | 0 | 108.9 | P406 S499 | P406-C497 HydrophobicContact CG-CB 3.94Å; P406-C497 VanDerWaalsContact CG-SG 3.51Å; C497-S499 PolarHBondContact O-N 3.36Å |
| 498 | L | 53.1 | Low | 59.3 | Low | 81 Ų | 81 | 60.5 Ų | 60.5 | 42% | 0.424 | 45% | 0.447 | S | S | . | . | trans | -64.9 | 119.6 | 156.7 | -71.7 | 164.5 | 0 | 0 | 0 | 106.4 | Q473 E475 A500 | Q473-L498 HydrophobicContact CB-CD1 4.17Å; E475-L498 HydrophobicContact CG-CG 4.39Å; L498-A500 PolarHBondContact O-N 3.11Å | ||
| 499 | S | 42.6 | Very low | 56 | Low | 105 Ų | 105 | 66.1 Ų | 66.1 | 73% | 0.734 | 48% | 0.479 | S | S | * | . | trans | -51.5 | 114.5 | 164.5 | 178.3 | 0 | 0 | 0 | 0 | 106.3 | C497 G501 | C497-S499 PolarHBondContact O-N 3.36Å; S499-G501 PolarHBondContact O-N 3.46Å | ||
| 500 | A | 40.7 | Very low | 52.8 | Low | 92 Ų | 92 | 74.2 Ų | 74.2 | 76% | 0.76 | 52% | 0.521 | S | S | * | . | trans | -48.2 | 122.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 106.4 | L498 S502 | L498-A500 PolarHBondContact O-N 3.11Å; A500-S502 PolarHBondContact O-N 3.06Å | ||
| 501 | G | 29.3 | Very low | 49.4 | Very low | 77 Ų | 77 | 78.5 Ų | 78.5 | 79% | 0.794 | 55% | 0.55 | S | S | * | * | trans | -47 | 115.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 110 | S499 G503 | S499-G501 PolarHBondContact O-N 3.46Å; G501-G503 PolarHBondContact O-N 3.34Å | ||
| 502 | S | 27.6 | Very low | 46.3 | Very low | 105 Ų | 105 | 84.7 Ų | 84.7 | 73% | 0.734 | 59% | 0.589 | S | S | * | * | trans | -63.5 | 84 | 170.5 | 169.6 | 0 | 0 | 0 | 0 | 108 | A500 G504 | A500-S502 PolarHBondContact O-N 3.06Å; S502-G504 PolarHBondContact O-N 3.31Å | ||
| 503 | G | 25.1 | Very low | 43 | Very low | 70 Ų | 70 | 90 Ų | 90 | 72% | 0.722 | 62% | 0.622 | S | S | * | * | trans | -56.4 | 123.5 | 150.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | G501 | G501-G503 PolarHBondContact O-N 3.34Š| ||
| 504 | G | 22.3 | Very low | 39.6 | Very low | 79 Ų | 79 | 93 Ų | 93 | 81% | 0.814 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -44.7 | 143.7 | -163.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | S502 | S502-G504 PolarHBondContact O-N 3.31Š|
| 505 | G | 24 | Very low | 36.4 | Very low | 77 Ų | 77 | 96.9 Ų | 96.9 | 79% | 0.794 | 68% | 0.684 | S | S | * | * | trans | 126.8 | 104.1 | 148.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 506 | G | 24.4 | Very low | 33.6 | Very low | 72 Ų | 72 | 100.5 Ų | 100.5 | 74% | 0.742 | 72% | 0.715 | S | S | * | * | trans | 77.5 | 116.8 | 144.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | A508 | G506-A508 PolarHBondContact O-N 3.24Š| ||
| 507 | F | 27 | Very low | 31.2 | Very low | 225 Ų | 225 | 102.2 Ų | 102.2 | 99% | 0.987 | 73% | 0.727 | S | S | * | * | trans | -48.3 | 103.3 | 164.7 | -70.8 | -93.2 | 0 | 0 | 0 | 111.6 | ||||
| 508 | A | 27.1 | Very low | 29.6 | Very low | 93 Ų | 93 | 105.4 Ų | 105.4 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | trans | -100.5 | 108.1 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108 | G506 | G506-A508 PolarHBondContact O-N 3.24Š| ||
| 509 | N | 24.7 | Very low | 29.1 | Very low | 152 Ų | 152 | 105 Ų | 105 | 81% | 0.813 | 73% | 0.733 | S | S | * | * | trans | -40.6 | 142.6 | 166.6 | -83.3 | -35.7 | 0 | 0 | 0 | 111.3 | S511 | N509-S511 VanDerWaalsContact C-N 3.27Å; N509-S511 PolarHBondContact O-N 3.36Å | ||
| 510 | I | 28.1 | Very low | 29.4 | Very low | 171 Ų | 171 | 100.9 Ų | 100.9 | 88% | 0.877 | 70% | 0.702 | S | S | * | * | trans | -51.1 | 88.1 | 174.3 | -62.9 | 166.4 | 0 | 0 | 0 | 109.2 | ||||
| 511 | S | 22.6 | Very low | 29.7 | Very low | 89 Ų | 89 | 97.1 Ų | 97.1 | 62% | 0.622 | 67% | 0.67 | S | S | * | * | trans | -95.7 | 124 | 166.1 | 62.8 | 0 | 0 | 0 | 0 | 107.5 | N509 T513 | N509-S511 VanDerWaalsContact C-N 3.27Å; N509-S511 PolarHBondContact O-N 3.36Å; S511-T513 PolarHBondContact O-N 3.21Å | ||
| 512 | T | 29.7 | Very low | 30.5 | Very low | 142 Ų | 142 | 94.6 Ų | 94.6 | 87% | 0.871 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -63.5 | 31 | -172.3 | 41.4 | 0 | 0 | 0 | 0 | 116.3 | ||
| 513 | T | 25.3 | Very low | 30.7 | Very low | 126 Ų | 126 | 94.1 Ų | 94.1 | 77% | 0.773 | 63% | 0.633 | S | S | * | * | trans | -144.4 | 69.3 | 179.4 | 55.6 | 0 | 0 | 0 | 0 | 110.4 | S511 | S511-T513 PolarHBondContact O-N 3.21Š| ||
| 514 | G | 23.7 | Very low | 31 | Very low | 64 Ų | 64 | 95.3 Ų | 95.3 | 66% | 0.66 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -163.7 | 100.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | A516 | G514-A516 PolarHBondContact O-N 3.08Å; G514-A516 VanDerWaalsContact O-N 3.12Å |
| 515 | S | 25.6 | Very low | 31.5 | Very low | 113 Ų | 113 | 96.2 Ų | 96.2 | 79% | 0.79 | 62% | 0.618 | S | S | * | * | trans | 12.2 | 91.8 | 163.2 | 166.3 | 0 | 0 | 0 | 0 | 112.7 | S517 | S515-S517 VanDerWaalsContact C-N 3.34Å; S515-S517 PolarHBondContact O-N 3.05Å | ||
| 516 | A | 29.2 | Very low | 31.9 | Very low | 81 Ų | 81 | 97.4 Ų | 97.4 | 67% | 0.669 | 61% | 0.608 | S | S | * | * | trans | -46.2 | 108.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | G514 F518 | G514-A516 PolarHBondContact O-N 3.08Å; G514-A516 VanDerWaalsContact O-N 3.12Å; A516-F518 PolarHBondContact O-N 2.87Å | ||
| 517 | S | 33.5 | Very low | 32.4 | Very low | 83 Ų | 83 | 98.9 Ų | 98.9 | 58% | 0.58 | 60% | 0.599 | S | S | * | * | trans | -48.4 | 111.8 | 170.3 | 49 | 0 | 0 | 0 | 0 | 104.8 | S515 N519 | S515-S517 VanDerWaalsContact C-N 3.34Å; S515-S517 PolarHBondContact O-N 3.05Å; S517-N519 PolarHBondContact O-N 3.49Å | ||
| 518 | F | 36.9 | Very low | 32.7 | Very low | 117 Ų | 117 | 90.5 Ų | 90.5 | 51% | 0.513 | 57% | 0.573 | S | S | . | * | trans | -65.4 | 75.8 | 174.7 | -82.4 | -93.5 | 0 | 0 | 0 | 106.8 | F462 A516 Y520 | F462-F518 HydrophobicContact CZ-CB 4.23Å; A516-F518 PolarHBondContact O-N 2.87Å; F518-Y520 HydrophobicContact CB-CD2 4.21Å; F518-Y520 HydrophobicContact CB-CE2 4.14Å; F518-Y520 HydrophobicContact CD1-CE2 4.01Å; F518-Y520 HydrophobicContact CG-CE2 4.47Å; F518-Y520 PolarHBondContact O-N 2.94Å | ||
| 519 | N | 42.2 | Very low | 33.1 | Very low | 71 Ų | 71 | 90.4 Ų | 90.4 | 38% | 0.38 | 56% | 0.559 | S | S | . | * | trans | -71.4 | 91.7 | 165.4 | -79.6 | -23 | 0 | 0 | 0 | 104.6 | Q472 S517 P521 | Q472-N519 PolarHBondContact NE2-OD1 3.38Å; S517-N519 PolarHBondContact O-N 3.49Å; N519-P521 WeakPolarHBondContact O-CD 3.47Å | ||
| 520 | Y | 48.2 | Very low | 33.8 | Very low | 20 Ų | 20 | 85.6 Ų | 85.6 | 8% | 0.078 | 54% | 0.54 | C | S | . | . | trans | -66.9 | 110.8 | 168.4 | -89 | -84.4 | 0 | 0 | 0 | 106.6 | V432 I435 F462 R495 F518 | V432-Y520 HydrophobicContact CG2-CE1 4.12Å; V432-Y520 WeakPolarHBondContact CG2-OH 3.45Å; I435-Y520 HydrophobicContact CD1-CD1 4.12Å; I435-Y520 HydrophobicContact CD1-CE1 4.11Å; F462-Y520 HydrophobicContact CD1-CD2 4.27Å; F462-Y520 HydrophobicContact CD1-CE2 4.5Å; F462-Y520 HydrophobicContact CD2-CE2 4.09Å; F462-Y520 AromaticContact CE1-CD2 3.9Å; F462-Y520 HydrophobicContact CE1-CD2 3.9Å; F462-Y520 HydrophobicContact CE1-CE2 4.29Å; F462-Y520 HydrophobicContact CE2-CD2 4.28Å; F462-Y520 AromaticContact CE2-CE2 3.86Å; F462-Y520 HydrophobicContact CE2-CE2 3.86Å; F462-Y520 HydrophobicContact CG-CE2 4.4Å; F462-Y520 AromaticContact CZ-CD2 3.9Å; F462-Y520 HydrophobicContact CZ-CD2 3.9Å; F462-Y520 AromaticContact CZ-CE2 3.96Å; F462-Y520 HydrophobicContact CZ-CE2 3.96Å; R495-Y520 PolarHBondContact NH1-O 3.26Å; F518-Y520 HydrophobicContact CB-CD2 4.21Å; F518-Y520 HydrophobicContact CB-CE2 4.14Å; F518-Y520 HydrophobicContact CD1-CE2 4.01Å; F518-Y520 HydrophobicContact CG-CE2 4.47Å; F518-Y520 PolarHBondContact O-N 2.94Å | ||
| 521 | P | 47.6 | Very low | 34.3 | Very low | 12 Ų | 12 | 78.5 Ų | 78.5 | 8% | 0.078 | 51% | 0.512 | C | S | . | . | trans | -95.9 | 6.6 | -163.4 | 33.8 | -26.6 | 0 | 0 | 0 | 114.7 | E407 Y422 R495 N519 | E407-P521 HydrophobicContact CG-CB 3.53Å; E407-P521 HydrophobicContact CG-CG 4.33Å; E407-P521 VanDerWaalsContact OE1-CB 3.29Å; E407-P521 WeakPolarHBondContact OE1-CB 3.23Å; Y422-P521 HydrophobicContact CD1-CG 3.34Å; Y422-P521 HydrophobicContact CE1-CB 4.19Å; Y422-P521 HydrophobicContact CE1-CG 2.95Å; Y422-P521 HydrophobicContact CG-CG 4.27Å; R495-P521 PolarHBondContact NH2-O 2.79Å; R495-P521 VanDerWaalsContact NH2-O 3.15Å; N519-P521 WeakPolarHBondContact O-CD 3.47Å | ||
| 522 | L | 46.7 | Very low | 35.3 | Very low | 24 Ų | 24 | 77.5 Ų | 77.5 | 13% | 0.126 | 50% | 0.502 | C | S | . | . | trans | -81.8 | 0 | 176.7 | -73.3 | 166.9 | 0 | 0 | 0 | 111.4 | F423 I427 R458 | F423-L522 HydrophobicContact CD2-CD1 4.38Å; F423-L522 HydrophobicContact CD2-CD2 3.74Å; F423-L522 HydrophobicContact CE2-CD1 4.39Å; F423-L522 HydrophobicContact CE2-CD2 3.51Å; F423-L522 HydrophobicContact CZ-CD2 4.45Å; I427-L522 HydrophobicContact CD1-CD1 3.27Å; I427-L522 HydrophobicContact CG1-CD1 3.35Å; R458-L522 PolarHBondContact NH1-O 3.32Å; R458-L522 PolarHBondContact NH1-OXT 3.45Å; R458-L522 PolarHBondContact NH2-O 3.43Å |
Retrieved 522 of 522 residues in 608.2 ms
(Link to these results)