| 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 | 34.9 | Very low | 35 | Very low | 205 Ų | 205 | 129.3 Ų | 129.3 | 100% | 1.01 | 65% | 0.654 | S | S | * | * | 0 | 109.5 | 0 | -170.3 | 175.6 | 85.6 | 0 | 0 | 107.6 | F66 | M1-F66 HydrophobicContact CE-CE2 4.48Š| |||
| 2 | I | 27.9 | Very low | 35.7 | Very low | 155 Ų | 155 | 131.1 Ų | 131.1 | 80% | 0.795 | 67% | 0.665 | S | S | * | * | trans | -88.9 | 116.8 | -179.8 | -62.5 | 173.2 | 0 | 0 | 0 | 107.5 | L4 | I2-L4 PolarHBondContact O-N 3.24Š| ||
| 3 | L | 30.6 | Very low | 36.6 | Very low | 94 Ų | 94 | 125.8 Ų | 125.8 | 49% | 0.492 | 65% | 0.645 | S | S | . | * | trans | -83.1 | 103.7 | 177.4 | -157.7 | 82.4 | 0 | 0 | 0 | 108.8 | L5 M31 | L3-L5 HydrophobicContact CD2-CD2 3.95Å; L3-L5 HydrophobicContact CD2-CG 4.31Å; L3-L5 PolarHBondContact O-N 2.97Å; L3-M31 HydrophobicContact CD1-CE 3.88Å; L3-M31 HydrophobicContact CD2-CE 4Å; L3-M31 HydrophobicContact CG-CE 4.3Å | ||
| 4 | L | 30 | Very low | 37.8 | Very low | 122 Ų | 122 | 125.4 Ų | 125.4 | 64% | 0.639 | 65% | 0.645 | S | S | * | * | trans | -84.5 | 98.3 | 171.5 | -72.6 | 165.7 | 0 | 0 | 0 | 108.2 | I2 | I2-L4 PolarHBondContact O-N 3.24Š| ||
| 5 | L | 33.7 | Very low | 38.4 | Very low | 83 Ų | 83 | 122.9 Ų | 122.9 | 44% | 0.435 | 64% | 0.637 | S | S | . | * | P | Polyproline II helix | trans | -69.3 | 125.8 | 170.7 | -67.9 | 169.6 | 0 | 0 | 0 | 108.5 | L3 R7 V29 | L3-L5 HydrophobicContact CD2-CD2 3.95Å; L3-L5 HydrophobicContact CD2-CG 4.31Å; L3-L5 PolarHBondContact O-N 2.97Å; L5-R7 PolarHBondContact O-N 2.99Å; L5-V29 HydrophobicContact CD2-CG1 4.19Å |
| 6 | P | 34.2 | Very low | 38.8 | Very low | 68 Ų | 68 | 120.8 Ų | 120.8 | 44% | 0.442 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -57.8 | 141.6 | 169.9 | 21.7 | -28 | 0 | 0 | 0 | 109.1 | ||
| 7 | R | 34.4 | Very low | 39.2 | Very low | 176 Ų | 176 | 117.7 Ų | 117.7 | 66% | 0.664 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 128.9 | 176.6 | -74.5 | -176.8 | -176.3 | 170.7 | 0.9 | 107.7 | L5 R9 D90 | L5-R7 PolarHBondContact O-N 2.99Å; R7-R9 PolarHBondContact O-N 3.1Å; R7-D90 IonicContact CZ-OD2 3.55Å; R7-D90 IonicContact NH1-OD2 2.9Å; R7-D90 IonicContact NH2-OD1 2.71Å; R7-D90 IonicContact NH2-OD2 3.86Å; R7-D90 PolarHBondContact NH2-OD2 3.04Å |
| 8 | P | 36.8 | Very low | 39.7 | Very low | 124 Ų | 124 | 117.7 Ų | 117.7 | 81% | 0.805 | 62% | 0.624 | S | S | * | * | trans | -53.8 | 113.9 | 171 | -18.7 | 29 | 0 | 0 | 0 | 106.7 | ||||
| 9 | R | 40.8 | Very low | 40.5 | Very low | 161 Ų | 161 | 121.2 Ų | 121.2 | 61% | 0.608 | 64% | 0.636 | S | S | * | * | trans | -60.7 | 135.5 | 162.6 | -75.3 | -173.9 | -94 | -149.4 | -2 | 105.2 | R7 F11 | R7-R9 PolarHBondContact O-N 3.1Å; R9-F11 HydrophobicContact CB-CD2 4.07Å; R9-F11 HydrophobicContact CB-CE2 3.74Å; R9-F11 HydrophobicContact CB-CZ 4.11Å; R9-F11 VanDerWaalsContact O-CD2 3.24Å; R9-F11 WeakPolarHBondContact O-CD2 3.44Å; R9-F11 PolarHBondContact O-N 2.86Å | ||
| 10 | P | 42.4 | Very low | 41 | Very low | 131 Ų | 131 | 117 Ų | 117 | 85% | 0.851 | 62% | 0.617 | S | S | * | * | trans | -65.6 | 85.3 | 172.6 | 27.7 | -31.8 | 0 | 0 | 0 | 106.8 | L12 | P10-L12 PolarHBondContact O-N 2.97Š| ||
| 11 | F | 39.7 | Very low | 41.6 | Very low | 103 Ų | 103 | 117.4 Ų | 117.4 | 45% | 0.452 | 62% | 0.616 | S | S | . | * | P | Polyproline II helix | trans | -71.6 | 124.5 | 168.3 | -71.9 | -77.8 | 0 | 0 | 0 | 105.5 | R9 | R9-F11 HydrophobicContact CB-CD2 4.07Å; R9-F11 HydrophobicContact CB-CE2 3.74Å; R9-F11 HydrophobicContact CB-CZ 4.11Å; R9-F11 VanDerWaalsContact O-CD2 3.24Å; R9-F11 WeakPolarHBondContact O-CD2 3.44Å; R9-F11 PolarHBondContact O-N 2.86Å |
| 12 | L | 43.7 | Very low | 42.2 | Very low | 151 Ų | 151 | 109.5 Ų | 109.5 | 79% | 0.791 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 127.7 | 163.5 | -74.4 | 161.7 | 0 | 0 | 0 | 106.2 | P10 D14 | P10-L12 PolarHBondContact O-N 2.97Å; L12-D14 PolarHBondContact O-N 2.85Å |
| 13 | P | 47.3 | Very low | 43.6 | Very low | 62 Ų | 62 | 104 Ų | 104 | 40% | 0.403 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -58.9 | 116.3 | 177 | 24.4 | -32.7 | 0 | 0 | 0 | 108.2 | V15 V16 L23 | P13-V15 PolarHBondContact O-N 3.26Å; P13-V15 VanDerWaalsContact O-N 3.17Å; P13-V16 HydrophobicContact CB-CG2 3.58Å; P13-V16 HydrophobicContact CG-CG2 3.44Å; P13-V16 VanDerWaalsContact CG-CG2 3.44Å; P13-L23 HydrophobicContact CB-CD1 3.67Å |
| 14 | D | 53.2 | Low | 44.8 | Very low | 120 Ų | 120 | 102 Ų | 102 | 64% | 0.642 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -60.6 | -31 | -172.1 | -77.4 | -39.2 | 0 | 0 | 0 | 111.5 | L12 H26 | L12-D14 PolarHBondContact O-N 2.85Å; D14-H26 IonicContact OD2-CD2 3.55Å |
| 15 | V | 46.7 | Very low | 46 | Very low | 88 Ų | 88 | 99.1 Ų | 99.1 | 53% | 0.533 | 53% | 0.525 | S | S | . | . | trans | -149.8 | 103.9 | 174.1 | -174.4 | 0 | 0 | 0 | 0 | 108.9 | P13 N17 | P13-V15 PolarHBondContact O-N 3.26Å; P13-V15 VanDerWaalsContact O-N 3.17Å; V15-N17 PolarHBondContact O-N 2.71Å | ||
| 16 | V | 43.9 | Very low | 47.3 | Very low | 90 Ų | 90 | 98.5 Ų | 98.5 | 55% | 0.545 | 52% | 0.52 | S | S | . | . | B | Isolated β-bridge | trans | -86.5 | 100.2 | 160 | -175.2 | 0 | 0 | 0 | 0 | 106.3 | P13 P18 L23 | P13-V16 HydrophobicContact CB-CG2 3.58Å; P13-V16 HydrophobicContact CG-CG2 3.44Å; P13-V16 VanDerWaalsContact CG-CG2 3.44Å; V16-P18 VanDerWaalsContact O-CD 3.24Å; V16-P18 WeakPolarHBondContact O-CD 3.45Å; V16-L23 HydrophobicContact CG2-CD1 3.88Å |
| 17 | N | 47.1 | Very low | 48.5 | Very low | 68 Ų | 68 | 97.2 Ų | 97.2 | 36% | 0.364 | 51% | 0.511 | S | S | . | . | trans | -77.7 | 111.6 | 165.2 | 175.2 | 3.6 | 0 | 0 | 0 | 107.5 | V15 Q19 S20 | V15-N17 PolarHBondContact O-N 2.71Å; N17-Q19 PolarHBondContact O-N 3.46Å; N17-Q19 VanDerWaalsContact O-N 3.13Å; N17-Q19 PolarHBondContact OD1-N 3.47Å; N17-S20 WeakPolarHBondContact CB-OG 3.4Å; N17-S20 PolarHBondContact ND2-OG 2.73Å; N17-S20 VanDerWaalsContact ND2-OG 3.15Å; N17-S20 PolarHBondContact O-N 3.06Å | ||
| 18 | P | 48 | Very low | 49.7 | Very low | 118 Ų | 118 | 90.6 Ų | 90.6 | 77% | 0.766 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -20.5 | -177.4 | 25.8 | -33.9 | 0 | 0 | 0 | 113.2 | V16 | V16-P18 VanDerWaalsContact O-CD 3.24Å; V16-P18 WeakPolarHBondContact O-CD 3.45Å |
| 19 | Q | 54.9 | Low | 50.8 | Low | 183 Ų | 183 | 85.7 Ų | 85.7 | 86% | 0.855 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -19 | 179.7 | -91.6 | -178.9 | -33.4 | 0 | 0 | 114.7 | N17 | N17-Q19 PolarHBondContact O-N 3.46Å; N17-Q19 VanDerWaalsContact O-N 3.13Å; N17-Q19 PolarHBondContact OD1-N 3.47Å |
| 20 | S | 49.7 | Very low | 51.7 | Low | 37 Ų | 37 | 82.8 Ų | 82.8 | 26% | 0.259 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -113.4 | 122.7 | 173.7 | 62.1 | 0 | 0 | 0 | 0 | 107.6 | N17 T22 | N17-S20 WeakPolarHBondContact CB-OG 3.4Å; N17-S20 PolarHBondContact ND2-OG 2.73Å; N17-S20 VanDerWaalsContact ND2-OG 3.15Å; N17-S20 PolarHBondContact O-N 3.06Å; S20-T22 PolarHBondContact O-N 3.18Å |
| 21 | H | 53.3 | Low | 52.5 | Low | 127 Ų | 127 | 78.5 Ų | 78.5 | 59% | 0.588 | 42% | 0.42 | S | S | * | . | trans | -66.8 | 25.1 | 168.9 | -37 | -83.4 | 0 | 0 | 0 | 112.9 | L23 T48 | H21-L23 PolarHBondContact O-N 3.37Å; H21-T48 HydrophobicContact CB-CG2 3.5Å | ||
| 22 | T | 48.4 | Very low | 53.2 | Low | 38 Ų | 38 | 82 Ų | 82 | 23% | 0.233 | 44% | 0.435 | C | S | . | . | trans | -88.2 | 89.9 | 173.1 | -48.8 | 0 | 0 | 0 | 0 | 107.6 | S20 L24 | S20-T22 PolarHBondContact O-N 3.18Å; T22-L24 HydrophobicContact CG2-CD2 3.79Å; T22-L24 HydrophobicContact CG2-CG 4.32Å; T22-L24 PolarHBondContact O-N 3.13Å | ||
| 23 | L | 56.5 | Low | 53.8 | Low | 41 Ų | 41 | 76.3 Ų | 76.3 | 22% | 0.215 | 41% | 0.409 | C | S | . | . | B | Isolated β-bridge | trans | -81 | 102.2 | 169.5 | -176.8 | 67.7 | 0 | 0 | 0 | 108.5 | P13 V16 H21 I25 M47 | P13-L23 HydrophobicContact CB-CD1 3.67Å; V16-L23 HydrophobicContact CG2-CD1 3.88Å; H21-L23 PolarHBondContact O-N 3.37Å; L23-I25 VanDerWaalsContact C-N 3.29Å; L23-I25 HydrophobicContact CD2-CD1 3.64Å; L23-I25 HydrophobicContact CD2-CG1 3.7Å; L23-I25 HydrophobicContact CG-CD1 4.2Å; L23-I25 HydrophobicContact CG-CG1 3.67Å; L23-I25 PolarHBondContact O-N 3.26Å; L23-M47 HydrophobicContact CB-CE 3.8Å; L23-M47 HydrophobicContact CD2-CE 4.19Å; L23-M47 HydrophobicContact CD2-SD 4.47Å |
| 24 | L | 55.4 | Low | 54.2 | Low | 52 Ų | 52 | 80.2 Ų | 80.2 | 27% | 0.272 | 43% | 0.426 | S | S | . | . | trans | -73.4 | 87.4 | 173.8 | -63.5 | -175.3 | 0 | 0 | 0 | 109.5 | T22 L44 | T22-L24 HydrophobicContact CG2-CD2 3.79Å; T22-L24 HydrophobicContact CG2-CG 4.32Å; T22-L24 PolarHBondContact O-N 3.13Å; L24-L44 HydrophobicContact CD2-CD1 3.41Å; L24-L44 VanDerWaalsContact CD2-CD1 3.41Å; L24-L44 HydrophobicContact CD2-CD2 4.18Å; L24-L44 HydrophobicContact CD2-CG 3.66Å | ||
| 25 | I | 55.9 | Low | 54.9 | Low | 60 Ų | 60 | 83.9 Ų | 83.9 | 31% | 0.308 | 44% | 0.437 | S | S | . | . | trans | -86.9 | 128.1 | 165.1 | -47 | -176.5 | 0 | 0 | 0 | 106.5 | L23 P27 L45 | L23-I25 VanDerWaalsContact C-N 3.29Å; L23-I25 HydrophobicContact CD2-CD1 3.64Å; L23-I25 HydrophobicContact CD2-CG1 3.7Å; L23-I25 HydrophobicContact CG-CD1 4.2Å; L23-I25 HydrophobicContact CG-CG1 3.67Å; L23-I25 PolarHBondContact O-N 3.26Å; I25-P27 WeakPolarHBondContact O-CD 3.5Å; I25-L45 HydrophobicContact CD1-CD2 4.08Å | ||
| 26 | H | 61.5 | Low | 55.7 | Low | 71 Ų | 71 | 82 Ų | 82 | 33% | 0.329 | 44% | 0.436 | S | S | . | . | trans | -98.1 | 73.6 | 168.1 | -66.9 | -77.2 | 0 | 0 | 0 | 109.6 | D14 T28 | D14-H26 IonicContact OD2-CD2 3.55Å; H26-T28 PolarHBondContact O-N 3.03Å | ||
| 27 | P | 59.4 | Low | 56.1 | Low | 40 Ų | 40 | 79.6 Ų | 79.6 | 26% | 0.26 | 43% | 0.425 | S | S | . | . | trans | -70 | 108.1 | 175.2 | 29.6 | -31.3 | 0 | 0 | 0 | 107.9 | I25 V29 F43 | I25-P27 WeakPolarHBondContact O-CD 3.5Å; P27-V29 PolarHBondContact O-N 3.46Å; P27-V29 VanDerWaalsContact O-N 3.17Å; P27-F43 HydrophobicContact CG-CB 3.99Å; P27-F43 HydrophobicContact CG-CD2 4.03Å; P27-F43 HydrophobicContact CG-CG 4.47Å | ||
| 28 | T | 58.5 | Low | 56.8 | Low | 38 Ų | 38 | 80 Ų | 80 | 23% | 0.233 | 43% | 0.433 | C | S | . | . | trans | -75.1 | 101.2 | 166.1 | -51.8 | 0 | 0 | 0 | 0 | 107.9 | H26 F30 D40 | H26-T28 PolarHBondContact O-N 3.03Å; T28-F30 HydrophobicContact CG2-CD2 3.93Å; T28-F30 HydrophobicContact CG2-CE2 3.59Å; T28-F30 HydrophobicContact CG2-CZ 4.25Å; T28-D40 HydrophobicContact CG2-CB 4.09Å; T28-D40 WeakPolarHBondContact CG2-OD1 2.9Å | ||
| 29 | V | 61 | Low | 57.4 | Low | 20 Ų | 20 | 76.1 Ų | 76.1 | 12% | 0.121 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 105.6 | 171.8 | -175.3 | 0 | 0 | 0 | 0 | 107.8 | L5 P27 M31 L41 F43 | L5-V29 HydrophobicContact CD2-CG1 4.19Å; P27-V29 PolarHBondContact O-N 3.46Å; P27-V29 VanDerWaalsContact O-N 3.17Å; V29-M31 HydrophobicContact CG1-CE 3.97Å; V29-M31 HydrophobicContact CG1-CG 3.97Å; V29-M31 PolarHBondContact O-N 3.04Å; V29-L41 PolarHBondContact N-O 3.41Å; V29-L41 VanDerWaalsContact N-O 3.17Å; V29-L41 PolarHBondContact O-N 3.15Å; V29-F43 HydrophobicContact CB-CE2 4.12Å; V29-F43 HydrophobicContact CG2-CD2 4.28Å; V29-F43 HydrophobicContact CG2-CE2 3.77Å |
| 30 | F | 58.4 | Low | 57.7 | Low | 101 Ų | 101 | 70.6 Ų | 70.6 | 44% | 0.443 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 113.1 | 168.4 | -81.6 | -89.2 | 0 | 0 | 0 | 108.8 | T28 D40 | T28-F30 HydrophobicContact CG2-CD2 3.93Å; T28-F30 HydrophobicContact CG2-CE2 3.59Å; T28-F30 HydrophobicContact CG2-CZ 4.25Å; F30-D40 WeakPolarHBondContact CD1-OD1 3.46Å; F30-D40 WeakPolarHBondContact CE1-OD1 3.43Å; F30-D40 WeakPolarHBondContact CE2-OD1 3.24Å; F30-D40 WeakPolarHBondContact CG-OD1 3.24Å; F30-D40 WeakPolarHBondContact CZ-OD1 3.31Å |
| 31 | M | 60.6 | Low | 58.3 | Low | 41 Ų | 41 | 69.2 Ų | 69.2 | 20% | 0.202 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 121.5 | 169.8 | -67.6 | -162.6 | 168.2 | 0 | 0 | 109.4 | L3 V29 A33 S38 F39 L41 F66 | L3-M31 HydrophobicContact CD1-CE 3.88Å; L3-M31 HydrophobicContact CD2-CE 4Å; L3-M31 HydrophobicContact CG-CE 4.3Å; V29-M31 HydrophobicContact CG1-CE 3.97Å; V29-M31 HydrophobicContact CG1-CG 3.97Å; V29-M31 PolarHBondContact O-N 3.04Å; M31-A33 PolarHBondContact O-N 3.19Å; M31-S38 VanDerWaalsContact O-CA 3.31Å; M31-S38 WeakPolarHBondContact O-CA 3.35Å; M31-F39 PolarHBondContact N-O 2.9Å; M31-F39 VanDerWaalsContact N-O 3.11Å; M31-F39 PolarHBondContact O-N 3.18Å; M31-L41 HydrophobicContact CB-CD1 4.44Å; M31-L41 HydrophobicContact CG-CD1 4.19Å; M31-L41 HydrophobicContact SD-CD1 4.19Å; M31-F66 HydrophobicContact CE-CE1 4.36Å; M31-F66 HydrophobicContact CE-CZ 4.24Å; M31-F66 HydrophobicContact SD-CE1 4Å; M31-F66 HydrophobicContact SD-CZ 3.96Å |
| 32 | K | 53.2 | Low | 58.8 | Low | 177 Ų | 177 | 66.3 Ų | 66.3 | 77% | 0.77 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 111.2 | 168.9 | -167.4 | 174.2 | -176.8 | 177.2 | 0 | 108 | A37 | K32-A37 CarbonylContact C-O 3.58Å |
| 33 | A | 57.6 | Low | 59.5 | Low | 30 Ų | 30 | 66 Ų | 66 | 25% | 0.248 | 35% | 0.352 | C | S | . | . | trans | -79.5 | 169 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111 | M31 G36 A37 F39 | M31-A33 PolarHBondContact O-N 3.19Å; A33-G36 PolarHBondContact O-N 3.24Å; A33-A37 WeakPolarHBondContact CA-O 3.46Å; A33-A37 HydrophobicContact CB-CB 4.29Å; A33-A37 PolarHBondContact N-O 2.96Å; A33-F39 HydrophobicContact CB-CD2 3.98Å; A33-F39 HydrophobicContact CB-CE2 3.46Å; A33-F39 VanDerWaalsContact CB-CE2 3.46Å | ||
| 34 | D | 56 | Low | 59.7 | Low | 144 Ų | 144 | 66.8 Ų | 66.8 | 77% | 0.77 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -59.4 | 147.2 | 173.5 | -163.7 | 18.3 | 0 | 0 | 0 | 110.3 | G36 | D34-G36 VanDerWaalsContact C-N 3.32Å; D34-G36 PolarHBondContact O-N 3.15Å |
| 35 | K | 66.5 | Low | 60.1 | Low | 197 Ų | 197 | 65.5 Ų | 65.5 | 86% | 0.857 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | 68.4 | 20 | -174.5 | -47.8 | 178.7 | -179.2 | -179.6 | 0 | 116.1 | A37 | K35-A37 VanDerWaalsContact C-N 3.26Å; K35-A37 PolarHBondContact O-N 3.04Å |
| 36 | G | 63.4 | Low | 60.1 | Low | 50 Ų | 50 | 64 Ų | 64 | 52% | 0.515 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | 79.9 | 3.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | A33 D34 | A33-G36 PolarHBondContact O-N 3.24Å; D34-G36 VanDerWaalsContact C-N 3.32Å; D34-G36 PolarHBondContact O-N 3.15Å |
| 37 | A | 52.9 | Low | 60.1 | Low | 39 Ų | 39 | 65.4 Ų | 65.4 | 32% | 0.322 | 35% | 0.35 | S | S | . | . | trans | -65.9 | 136.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | K32 A33 K35 F39 | K32-A37 CarbonylContact C-O 3.58Å; A33-A37 WeakPolarHBondContact CA-O 3.46Å; A33-A37 HydrophobicContact CB-CB 4.29Å; A33-A37 PolarHBondContact N-O 2.96Å; K35-A37 VanDerWaalsContact C-N 3.26Å; K35-A37 PolarHBondContact O-N 3.04Å; A37-F39 HydrophobicContact CB-CE1 4.5Å; A37-F39 HydrophobicContact CB-CE2 3.92Å; A37-F39 HydrophobicContact CB-CZ 3.71Å | ||
| 38 | S | 61.7 | Low | 59.9 | Low | 76 Ų | 76 | 66.4 Ų | 66.4 | 53% | 0.531 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 137.4 | 171.8 | 54.8 | 0 | 0 | 0 | 0 | 109 | M31 | M31-S38 VanDerWaalsContact O-CA 3.31Å; M31-S38 WeakPolarHBondContact O-CA 3.35Å |
| 39 | F | 61.5 | Low | 59.8 | Low | 37 Ų | 37 | 69.6 Ų | 69.6 | 16% | 0.162 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 140.1 | 177 | -50 | -79.3 | 0 | 0 | 0 | 109.7 | M31 A33 A37 I62 I63 | M31-F39 PolarHBondContact N-O 2.9Å; M31-F39 VanDerWaalsContact N-O 3.11Å; M31-F39 PolarHBondContact O-N 3.18Å; A33-F39 HydrophobicContact CB-CD2 3.98Å; A33-F39 HydrophobicContact CB-CE2 3.46Å; A33-F39 VanDerWaalsContact CB-CE2 3.46Å; A37-F39 HydrophobicContact CB-CE1 4.5Å; A37-F39 HydrophobicContact CB-CE2 3.92Å; A37-F39 HydrophobicContact CB-CZ 3.71Å; F39-I62 HydrophobicContact CE2-CD1 4.3Å; F39-I62 HydrophobicContact CE2-CG2 4.27Å; F39-I62 HydrophobicContact CZ-CD1 3.89Å; F39-I63 HydrophobicContact CB-CD1 4.24Å; F39-I63 HydrophobicContact CD1-CD1 4.39Å; F39-I63 HydrophobicContact CG-CD1 4.4Å |
| 40 | D | 60.4 | Low | 59.7 | Low | 67 Ų | 67 | 70.5 Ų | 70.5 | 36% | 0.358 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 120.5 | 171.5 | -72.9 | -28.7 | 0 | 0 | 0 | 109.1 | T28 F30 | T28-D40 HydrophobicContact CG2-CB 4.09Å; T28-D40 WeakPolarHBondContact CG2-OD1 2.9Å; F30-D40 WeakPolarHBondContact CD1-OD1 3.46Å; F30-D40 WeakPolarHBondContact CE1-OD1 3.43Å; F30-D40 WeakPolarHBondContact CE2-OD1 3.24Å; F30-D40 WeakPolarHBondContact CG-OD1 3.24Å; F30-D40 WeakPolarHBondContact CZ-OD1 3.31Å |
| 41 | L | 62.5 | Low | 59.7 | Low | 8 Ų | 8 | 72.4 Ų | 72.4 | 4% | 0.042 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 121 | 165.9 | -75.3 | 92.8 | 0 | 0 | 0 | 108.5 | V29 M31 F43 | V29-L41 PolarHBondContact N-O 3.41Å; V29-L41 VanDerWaalsContact N-O 3.17Å; V29-L41 PolarHBondContact O-N 3.15Å; M31-L41 HydrophobicContact CB-CD1 4.44Å; M31-L41 HydrophobicContact CG-CD1 4.19Å; M31-L41 HydrophobicContact SD-CD1 4.19Å; L41-F43 HydrophobicContact CB-CD2 4.36Å; L41-F43 HydrophobicContact CB-CE2 3.56Å; L41-F43 HydrophobicContact CB-CZ 3.69Å; L41-F43 HydrophobicContact CD2-CE1 4.22Å; L41-F43 HydrophobicContact CD2-CE2 4.44Å; L41-F43 HydrophobicContact CD2-CZ 3.7Å; L41-F43 HydrophobicContact CG-CZ 4.34Å |
| 42 | H | 62.9 | Low | 59.4 | Low | 66 Ų | 66 | 72.4 Ų | 72.4 | 31% | 0.306 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -97.4 | 133.7 | 165.8 | -55.3 | -83.2 | 0 | 0 | 0 | 108.5 | L56 | H42-L56 HydrophobicContact CB-CB 4.17Å; H42-L56 HydrophobicContact CB-CD1 4.32Å; H42-L56 PolarHBondContact O-N 3.11Å |
| 43 | F | 64.1 | Low | 59.7 | Low | 31 Ų | 31 | 69.4 Ų | 69.4 | 14% | 0.136 | 39% | 0.388 | C | S | . | . | trans | -116.4 | 146.3 | 175.7 | -58.1 | -85.5 | 0 | 0 | 0 | 109.1 | P27 V29 L41 F53 | P27-F43 HydrophobicContact CG-CB 3.99Å; P27-F43 HydrophobicContact CG-CD2 4.03Å; P27-F43 HydrophobicContact CG-CG 4.47Å; V29-F43 HydrophobicContact CB-CE2 4.12Å; V29-F43 HydrophobicContact CG2-CD2 4.28Å; V29-F43 HydrophobicContact CG2-CE2 3.77Å; L41-F43 HydrophobicContact CB-CD2 4.36Å; L41-F43 HydrophobicContact CB-CE2 3.56Å; L41-F43 HydrophobicContact CB-CZ 3.69Å; L41-F43 HydrophobicContact CD2-CE1 4.22Å; L41-F43 HydrophobicContact CD2-CE2 4.44Å; L41-F43 HydrophobicContact CD2-CZ 3.7Å; L41-F43 HydrophobicContact CG-CZ 4.34Å; F43-F53 HydrophobicContact CB-CD1 4.43Å; F43-F53 HydrophobicContact CD1-CB 3.84Å; F43-F53 AromaticContact CD1-CD1 3.57Å; F43-F53 HydrophobicContact CD1-CD1 3.57Å; F43-F53 HydrophobicContact CD1-CG 4.18Å; F43-F53 HydrophobicContact CE1-CB 4.16Å; F43-F53 AromaticContact CE1-CD1 3.99Å; F43-F53 HydrophobicContact CE1-CD1 3.99Å; F43-F53 HydrophobicContact CE1-CG 4.48Å; F43-F53 HydrophobicContact CG-CD1 4.11Å | ||
| 44 | L | 61.1 | Low | 59.6 | Low | 57 Ų | 57 | 72.1 Ų | 72.1 | 30% | 0.298 | 40% | 0.397 | S | S | . | . | trans | -103.3 | 112.9 | 167.9 | -161.4 | 91.8 | 0 | 0 | 0 | 107.6 | L24 | L24-L44 HydrophobicContact CD2-CD1 3.41Å; L24-L44 VanDerWaalsContact CD2-CD1 3.41Å; L24-L44 HydrophobicContact CD2-CD2 4.18Å; L24-L44 HydrophobicContact CD2-CG 3.66Å | ||
| 45 | L | 62.9 | Low | 59.7 | Low | 26 Ų | 26 | 67 Ų | 67 | 14% | 0.136 | 37% | 0.372 | C | S | . | . | trans | -91.8 | 114.2 | 179.6 | -155.9 | 74.2 | 0 | 0 | 0 | 110.1 | I25 F51 | I25-L45 HydrophobicContact CD1-CD2 4.08Å; L45-F51 HydrophobicContact CD1-CB 4.14Å; L45-F51 HydrophobicContact CD1-CD1 3.42Å; L45-F51 VanDerWaalsContact CD1-CD1 3.42Å; L45-F51 HydrophobicContact CD1-CE1 4.23Å; L45-F51 HydrophobicContact CD1-CG 4.2Å; L45-F51 HydrophobicContact CD2-CD1 3.92Å; L45-F51 HydrophobicContact CD2-CE1 3.92Å; L45-F51 HydrophobicContact CG-CD1 3.73Å; L45-F51 HydrophobicContact CG-CE1 4.24Å | ||
| 46 | N | 56.7 | Low | 59.2 | Low | 28 Ų | 28 | 62.4 Ų | 62.4 | 15% | 0.15 | 36% | 0.356 | C | S | . | . | trans | -100.4 | 116.3 | 166.7 | -170.4 | 3 | 0 | 0 | 0 | 110 | T48 T49 G50 | N46-T48 PolarHBondContact ND2-OG1 3.17Å; N46-T48 PolarHBondContact OD1-N 2.83Å; N46-T48 PolarHBondContact OD1-OG1 3.35Å; N46-T49 PolarHBondContact ND2-OG1 3.22Å; N46-T49 VanDerWaalsContact ND2-OG1 3.14Å; N46-G50 CarbonylContact O-C 3.39Å; N46-G50 VanDerWaalsContact O-O 3.07Å | ||
| 47 | M | 60.6 | Low | 58.7 | Low | 101 Ų | 101 | 61.4 Ų | 61.4 | 50% | 0.498 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -79.7 | -21.2 | 178.1 | -61 | -163 | -61.1 | 0 | 0 | 112.7 | L23 | L23-M47 HydrophobicContact CB-CE 3.8Å; L23-M47 HydrophobicContact CD2-CE 4.19Å; L23-M47 HydrophobicContact CD2-SD 4.47Å |
| 48 | T | 55.8 | Low | 58.6 | Low | 60 Ų | 60 | 70.6 Ų | 70.6 | 37% | 0.368 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -43.7 | -177.3 | 52.5 | 0 | 0 | 0 | 0 | 113 | H21 N46 | H21-T48 HydrophobicContact CB-CG2 3.5Å; N46-T48 PolarHBondContact ND2-OG1 3.17Å; N46-T48 PolarHBondContact OD1-N 2.83Å; N46-T48 PolarHBondContact OD1-OG1 3.35Å |
| 49 | T | 56.1 | Low | 57.8 | Low | 106 Ų | 106 | 75.7 Ų | 75.7 | 65% | 0.65 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | 10.7 | -171.7 | 53.9 | 0 | 0 | 0 | 0 | 113.6 | N46 | N46-T49 PolarHBondContact ND2-OG1 3.22Å; N46-T49 VanDerWaalsContact ND2-OG1 3.14Å |
| 50 | G | 58.3 | Low | 57.2 | Low | 38 Ų | 38 | 78.1 Ų | 78.1 | 39% | 0.392 | 40% | 0.399 | S | S | . | . | S | Bend | trans | 80.6 | 151.2 | -164.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | N46 S52 | N46-G50 CarbonylContact O-C 3.39Å; N46-G50 VanDerWaalsContact O-O 3.07Å; G50-S52 PolarHBondContact O-N 3.19Å |
| 51 | F | 59 | Low | 57 | Low | 142 Ų | 142 | 78.9 Ų | 78.9 | 62% | 0.623 | 41% | 0.41 | S | S | * | . | trans | -55.4 | 100.9 | -173.8 | -55.6 | -68.5 | 0 | 0 | 0 | 111.4 | L45 F53 | L45-F51 HydrophobicContact CD1-CB 4.14Å; L45-F51 HydrophobicContact CD1-CD1 3.42Å; L45-F51 VanDerWaalsContact CD1-CD1 3.42Å; L45-F51 HydrophobicContact CD1-CE1 4.23Å; L45-F51 HydrophobicContact CD1-CG 4.2Å; L45-F51 HydrophobicContact CD2-CD1 3.92Å; L45-F51 HydrophobicContact CD2-CE1 3.92Å; L45-F51 HydrophobicContact CG-CD1 3.73Å; L45-F51 HydrophobicContact CG-CE1 4.24Å; F51-F53 HydrophobicContact CB-CE2 4.08Å; F51-F53 HydrophobicContact CB-CZ 4.3Å | ||
| 52 | S | 53.9 | Low | 56.8 | Low | 41 Ų | 41 | 82.9 Ų | 82.9 | 29% | 0.287 | 43% | 0.431 | S | S | . | . | trans | -88.2 | 125.8 | 166.7 | 52.7 | 0 | 0 | 0 | 0 | 108.2 | G50 | G50-S52 PolarHBondContact O-N 3.19Š| ||
| 53 | F | 59.9 | Low | 56.5 | Low | 114 Ų | 114 | 80.4 Ų | 80.4 | 50% | 0.5 | 42% | 0.419 | S | S | . | . | trans | -98.7 | 97.7 | 172 | -64.5 | -82.8 | 0 | 0 | 0 | 106.8 | F43 F51 P55 I83 | F43-F53 HydrophobicContact CB-CD1 4.43Å; F43-F53 HydrophobicContact CD1-CB 3.84Å; F43-F53 AromaticContact CD1-CD1 3.57Å; F43-F53 HydrophobicContact CD1-CD1 3.57Å; F43-F53 HydrophobicContact CD1-CG 4.18Å; F43-F53 HydrophobicContact CE1-CB 4.16Å; F43-F53 AromaticContact CE1-CD1 3.99Å; F43-F53 HydrophobicContact CE1-CD1 3.99Å; F43-F53 HydrophobicContact CE1-CG 4.48Å; F43-F53 HydrophobicContact CG-CD1 4.11Å; F51-F53 HydrophobicContact CB-CE2 4.08Å; F51-F53 HydrophobicContact CB-CZ 4.3Å; F53-P55 WeakPolarHBondContact O-CD 3.09Å; F53-I83 HydrophobicContact CZ-CD1 4.42Å | ||
| 54 | I | 56.6 | Low | 56.2 | Low | 87 Ų | 87 | 82.8 Ų | 82.8 | 45% | 0.446 | 44% | 0.436 | S | S | . | . | trans | -94.5 | 102.7 | 170.4 | -55.4 | 176.5 | 0 | 0 | 0 | 106.9 | L56 | I54-L56 HydrophobicContact CG2-CD2 4.37Å; I54-L56 PolarHBondContact O-N 3.33Å | ||
| 55 | P | 56.2 | Low | 56 | Low | 37 Ų | 37 | 84.1 Ų | 84.1 | 24% | 0.24 | 44% | 0.444 | C | S | . | . | trans | -70.3 | 111.6 | 176.7 | 27.8 | -31.9 | 0 | 0 | 0 | 108.6 | F53 A57 I67 | F53-P55 WeakPolarHBondContact O-CD 3.09Å; P55-A57 PolarHBondContact O-N 3.15Å; P55-I67 HydrophobicContact CB-CD1 3.65Å; P55-I67 HydrophobicContact CB-CG1 4.12Å; P55-I67 HydrophobicContact CG-CD1 3.16Å; P55-I67 HydrophobicContact CG-CG1 3.67Å; P55-I67 HydrophobicContact CG-CG2 4.36Å | ||
| 56 | L | 55.9 | Low | 56 | Low | 99 Ų | 99 | 85.3 Ų | 85.3 | 52% | 0.518 | 45% | 0.448 | S | S | . | . | trans | -82.9 | 62.7 | 169.1 | -55.3 | 173.4 | 0 | 0 | 0 | 108.5 | H42 I54 | H42-L56 HydrophobicContact CB-CB 4.17Å; H42-L56 HydrophobicContact CB-CD1 4.32Å; H42-L56 PolarHBondContact O-N 3.11Å; I54-L56 HydrophobicContact CG2-CD2 4.37Å; I54-L56 PolarHBondContact O-N 3.33Å | ||
| 57 | A | 54.6 | Low | 56.2 | Low | 30 Ų | 30 | 86 Ų | 86 | 25% | 0.248 | 45% | 0.451 | C | S | . | . | trans | -92.7 | 128.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | P55 I63 | P55-A57 PolarHBondContact O-N 3.15Å; A57-I63 HydrophobicContact CB-CB 3.95Å; A57-I63 HydrophobicContact CB-CD1 3.58Å; A57-I63 HydrophobicContact CB-CG1 4.32Å; A57-I63 HydrophobicContact CB-CG2 3.27Å | ||
| 58 | R | 50.4 | Low | 56.1 | Low | 232 Ų | 232 | 89.6 Ų | 89.6 | 88% | 0.875 | 46% | 0.459 | S | S | * | . | trans | -62.8 | 146.5 | 161.4 | -82.3 | -177.4 | 165.4 | -178 | -3.8 | 109.1 | D60 | R58-D60 PolarHBondContact O-N 3.06Š| ||
| 59 | H | 44.8 | Very low | 56.6 | Low | 183 Ų | 183 | 95.9 Ų | 95.9 | 85% | 0.847 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -57.6 | 44.3 | -163.5 | -97 | -82.6 | 0 | 0 | 0 | 118.1 | S61 | H59-S61 PolarHBondContact O-N 3.34Š|
| 60 | D | 48.7 | Very low | 56.9 | Low | 88 Ų | 88 | 95.4 Ų | 95.4 | 47% | 0.471 | 47% | 0.468 | S | S | . | . | trans | -81.8 | 121.7 | 168.3 | -72.2 | -20.7 | 0 | 0 | 0 | 109.4 | R58 I62 I63 | R58-D60 PolarHBondContact O-N 3.06Å; D60-I62 PolarHBondContact O-N 2.99Å; D60-I63 HydrophobicContact CB-CD1 4.45Å; D60-I63 PolarHBondContact O-N 3.45Å | ||
| 61 | S | 56.2 | Low | 57 | Low | 83 Ų | 83 | 98.5 Ų | 98.5 | 58% | 0.58 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -50.1 | -26 | -177.5 | 60 | 0 | 0 | 0 | 0 | 113.8 | H59 I63 N65 | H59-S61 PolarHBondContact O-N 3.34Å; S61-I63 VanDerWaalsContact C-N 3.35Å; S61-N65 WeakPolarHBondContact O-CB 2.89Å; S61-N65 PolarHBondContact O-N 2.78Å; S61-N65 PolarHBondContact O-ND2 2.82Å; S61-N65 VanDerWaalsContact O-ND2 3.12Å |
| 62 | I | 57.8 | Low | 56.7 | Low | 92 Ų | 92 | 97.5 Ų | 97.5 | 47% | 0.472 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 174.8 | -61.6 | 172.3 | 0 | 0 | 0 | 110.7 | F39 D60 N65 F66 | F39-I62 HydrophobicContact CE2-CD1 4.3Å; F39-I62 HydrophobicContact CE2-CG2 4.27Å; F39-I62 HydrophobicContact CZ-CD1 3.89Å; D60-I62 PolarHBondContact O-N 2.99Å; I62-N65 PolarHBondContact O-N 2.95Å; I62-F66 WeakPolarHBondContact O-CB 3.47Å; I62-F66 PolarHBondContact O-N 3.42Å |
| 63 | I | 57 | Low | 56.8 | Low | 14 Ų | 14 | 98.1 Ų | 98.1 | 7% | 0.072 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -71.5 | -42.8 | -176.4 | -56.7 | 171.5 | 0 | 0 | 0 | 110.2 | F39 A57 D60 S61 N65 F66 I67 | F39-I63 HydrophobicContact CB-CD1 4.24Å; F39-I63 HydrophobicContact CD1-CD1 4.39Å; F39-I63 HydrophobicContact CG-CD1 4.4Å; A57-I63 HydrophobicContact CB-CB 3.95Å; A57-I63 HydrophobicContact CB-CD1 3.58Å; A57-I63 HydrophobicContact CB-CG1 4.32Å; A57-I63 HydrophobicContact CB-CG2 3.27Å; D60-I63 HydrophobicContact CB-CD1 4.45Å; D60-I63 PolarHBondContact O-N 3.45Å; S61-I63 VanDerWaalsContact C-N 3.35Å; I63-N65 VanDerWaalsContact C-N 3.33Å; I63-N65 PolarHBondContact O-N 2.86Å; I63-F66 WeakPolarHBondContact O-CB 3.31Å; I63-F66 PolarHBondContact O-N 2.9Å; I63-F66 VanDerWaalsContact O-N 3.1Å; I63-I67 HydrophobicContact CG2-CD1 3.71Å; I63-I67 HydrophobicContact CG2-CG1 4.21Å; I63-I67 WeakPolarHBondContact O-CD1 3.49Å; I63-I67 VanDerWaalsContact O-CG1 3.25Å; I63-I67 WeakPolarHBondContact O-CG1 3.16Å; I63-I67 PolarHBondContact O-N 3.17Å |
| 64 | V | 57.2 | Low | 56.4 | Low | 81 Ų | 81 | 95.9 Ų | 95.9 | 49% | 0.491 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.7 | -46.1 | 174.5 | 178.3 | 0 | 0 | 0 | 0 | 110.9 | F66 I67 R68 | V64-F66 VanDerWaalsContact C-N 3.28Å; V64-F66 PolarHBondContact O-N 2.71Å; V64-I67 PolarHBondContact O-N 2.69Å; V64-R68 VanDerWaalsContact O-CB 3.3Å; V64-R68 WeakPolarHBondContact O-CB 3.31Å; V64-R68 PolarHBondContact O-N 3.23Å |
| 65 | N | 58.3 | Low | 56.1 | Low | 85 Ų | 85 | 98.2 Ų | 98.2 | 46% | 0.455 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63 | -35.9 | 176.5 | -77.6 | -34 | 0 | 0 | 0 | 112.3 | S61 I62 I63 R69 | S61-N65 WeakPolarHBondContact O-CB 2.89Å; S61-N65 PolarHBondContact O-N 2.78Å; S61-N65 PolarHBondContact O-ND2 2.82Å; S61-N65 VanDerWaalsContact O-ND2 3.12Å; I62-N65 PolarHBondContact O-N 2.95Å; I63-N65 VanDerWaalsContact C-N 3.33Å; I63-N65 PolarHBondContact O-N 2.86Å; N65-R69 WeakPolarHBondContact O-CG 3.06Å; N65-R69 PolarHBondContact O-N 2.7Å |
| 66 | F | 62.1 | Low | 55.5 | Low | 51 Ų | 51 | 101.9 Ų | 101.9 | 22% | 0.224 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -68.9 | -47.4 | 177.2 | -177.3 | -106 | 0 | 0 | 0 | 112.2 | M1 M31 I62 I63 V64 R68 R69 I70 | M1-F66 HydrophobicContact CE-CE2 4.48Å; M31-F66 HydrophobicContact CE-CE1 4.36Å; M31-F66 HydrophobicContact CE-CZ 4.24Å; M31-F66 HydrophobicContact SD-CE1 4Å; M31-F66 HydrophobicContact SD-CZ 3.96Å; I62-F66 WeakPolarHBondContact O-CB 3.47Å; I62-F66 PolarHBondContact O-N 3.42Å; I63-F66 WeakPolarHBondContact O-CB 3.31Å; I63-F66 PolarHBondContact O-N 2.9Å; I63-F66 VanDerWaalsContact O-N 3.1Å; V64-F66 VanDerWaalsContact C-N 3.28Å; V64-F66 PolarHBondContact O-N 2.71Å; F66-R68 VanDerWaalsContact C-N 3.25Å; F66-R68 PolarHBondContact O-N 3.44Å; F66-R69 WeakPolarHBondContact O-CB 3.39Å; F66-R69 PolarHBondContact O-N 3.02Å; F66-I70 HydrophobicContact CD1-CD1 3.81Å; F66-I70 HydrophobicContact CE1-CD1 3.24Å; F66-I70 HydrophobicContact CE1-CG1 4.17Å; F66-I70 HydrophobicContact CE2-CD1 4.41Å; F66-I70 HydrophobicContact CZ-CD1 3.59Å; F66-I70 HydrophobicContact CZ-CG1 4.21Å; F66-I70 PolarHBondContact O-N 3.5Å |
| 67 | I | 60.3 | Low | 54.8 | Low | 43 Ų | 43 | 105.4 Ų | 105.4 | 22% | 0.221 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -58 | -44.2 | 174.4 | -63.1 | 157.1 | 0 | 0 | 0 | 109.5 | P55 I63 V64 R69 I70 L71 | P55-I67 HydrophobicContact CB-CD1 3.65Å; P55-I67 HydrophobicContact CB-CG1 4.12Å; P55-I67 HydrophobicContact CG-CD1 3.16Å; P55-I67 HydrophobicContact CG-CG1 3.67Å; P55-I67 HydrophobicContact CG-CG2 4.36Å; I63-I67 HydrophobicContact CG2-CD1 3.71Å; I63-I67 HydrophobicContact CG2-CG1 4.21Å; I63-I67 WeakPolarHBondContact O-CD1 3.49Å; I63-I67 VanDerWaalsContact O-CG1 3.25Å; I63-I67 WeakPolarHBondContact O-CG1 3.16Å; I63-I67 PolarHBondContact O-N 3.17Å; V64-I67 PolarHBondContact O-N 2.69Å; I67-R69 VanDerWaalsContact C-N 3.32Å; I67-R69 PolarHBondContact O-N 3.13Å; I67-I70 PolarHBondContact O-N 3.06Å; I67-L71 HydrophobicContact CG2-CD1 3.83Å; I67-L71 HydrophobicContact CG2-CG 4.3Å; I67-L71 WeakPolarHBondContact O-CB 3.36Å; I67-L71 WeakPolarHBondContact O-CG 3.44Å; I67-L71 PolarHBondContact O-N 3.36Å |
| 68 | R | 60 | Low | 54.3 | Low | 176 Ų | 176 | 114.2 Ų | 114.2 | 66% | 0.664 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -59.2 | -41.6 | 175.3 | -170.4 | 178.7 | -177.3 | -178.3 | 1.9 | 111.7 | V64 F66 H72 | V64-R68 VanDerWaalsContact O-CB 3.3Å; V64-R68 WeakPolarHBondContact O-CB 3.31Å; V64-R68 PolarHBondContact O-N 3.23Å; F66-R68 VanDerWaalsContact C-N 3.25Å; F66-R68 PolarHBondContact O-N 3.44Å; R68-H72 WeakPolarHBondContact O-CB 3.44Å; R68-H72 PolarHBondContact O-N 2.69Å |
| 69 | R | 65.3 | Low | 53.8 | Low | 192 Ų | 192 | 108.1 Ų | 108.1 | 73% | 0.725 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.1 | -41.9 | 175.9 | -77.4 | 176.9 | -178.6 | -170.7 | 1.2 | 112.3 | N65 F66 I67 H72 A73 | N65-R69 WeakPolarHBondContact O-CG 3.06Å; N65-R69 PolarHBondContact O-N 2.7Å; F66-R69 WeakPolarHBondContact O-CB 3.39Å; F66-R69 PolarHBondContact O-N 3.02Å; I67-R69 VanDerWaalsContact C-N 3.32Å; I67-R69 PolarHBondContact O-N 3.13Å; R69-H72 PolarHBondContact O-N 2.92Å; R69-A73 VanDerWaalsContact O-CB 3.31Å; R69-A73 WeakPolarHBondContact O-CB 3.46Å; R69-A73 PolarHBondContact O-N 3.41Å |
| 70 | I | 62.4 | Low | 53.3 | Low | 95 Ų | 95 | 109.1 Ų | 109.1 | 49% | 0.487 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.8 | -49.4 | 176.1 | -68.5 | 176.7 | 0 | 0 | 0 | 110.3 | F66 I67 H72 A73 S74 | F66-I70 HydrophobicContact CD1-CD1 3.81Å; F66-I70 HydrophobicContact CE1-CD1 3.24Å; F66-I70 HydrophobicContact CE1-CG1 4.17Å; F66-I70 HydrophobicContact CE2-CD1 4.41Å; F66-I70 HydrophobicContact CZ-CD1 3.59Å; F66-I70 HydrophobicContact CZ-CG1 4.21Å; F66-I70 PolarHBondContact O-N 3.5Å; I67-I70 PolarHBondContact O-N 3.06Å; I70-H72 VanDerWaalsContact C-N 3.35Å; I70-H72 PolarHBondContact O-N 2.74Å; I70-A73 PolarHBondContact O-N 3.37Å; I70-S74 PolarHBondContact O-N 3.24Å |
| 71 | L | 59.9 | Low | 52.8 | Low | 104 Ų | 104 | 108.9 Ų | 108.9 | 55% | 0.545 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.3 | -41.2 | 178.9 | -71.1 | 173.5 | 0 | 0 | 0 | 111.8 | I67 S74 N75 | I67-L71 HydrophobicContact CG2-CD1 3.83Å; I67-L71 HydrophobicContact CG2-CG 4.3Å; I67-L71 WeakPolarHBondContact O-CB 3.36Å; I67-L71 WeakPolarHBondContact O-CG 3.44Å; I67-L71 PolarHBondContact O-N 3.36Å; L71-S74 VanDerWaalsContact O-CB 3.31Å; L71-S74 WeakPolarHBondContact O-CB 3.42Å; L71-S74 PolarHBondContact O-N 3.34Å; L71-S74 VanDerWaalsContact O-N 3.1Å; L71-N75 PolarHBondContact O-N 3.44Å; L71-N75 VanDerWaalsContact O-N 3.13Å |
| 72 | H | 53.1 | Low | 51.9 | Low | 121 Ų | 121 | 115.3 Ų | 115.3 | 56% | 0.56 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.6 | -37 | 177.9 | -167.1 | -71.5 | 0 | 0 | 0 | 112.1 | R68 R69 I70 S74 N75 | R68-H72 WeakPolarHBondContact O-CB 3.44Å; R68-H72 PolarHBondContact O-N 2.69Å; R69-H72 PolarHBondContact O-N 2.92Å; I70-H72 VanDerWaalsContact C-N 3.35Å; I70-H72 PolarHBondContact O-N 2.74Å; H72-S74 PolarHBondContact O-N 3.02Å; H72-N75 PolarHBondContact O-N 2.73Å |
| 73 | A | 55.7 | Low | 51 | Low | 54 Ų | 54 | 116 Ų | 116 | 45% | 0.446 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.7 | -32 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | R69 I70 L79 | R69-A73 VanDerWaalsContact O-CB 3.31Å; R69-A73 WeakPolarHBondContact O-CB 3.46Å; R69-A73 PolarHBondContact O-N 3.41Å; I70-A73 PolarHBondContact O-N 3.37Å; A73-L79 WeakPolarHBondContact O-CD1 3.25Å |
| 74 | S | 51.2 | Low | 49.8 | Very low | 66 Ų | 66 | 123.6 Ų | 123.6 | 46% | 0.462 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -71.5 | -28.8 | 176.4 | -167.8 | 0 | 0 | 0 | 0 | 113.9 | I70 L71 H72 | I70-S74 PolarHBondContact O-N 3.24Å; L71-S74 VanDerWaalsContact O-CB 3.31Å; L71-S74 WeakPolarHBondContact O-CB 3.42Å; L71-S74 PolarHBondContact O-N 3.34Å; L71-S74 VanDerWaalsContact O-N 3.1Å; H72-S74 PolarHBondContact O-N 3.02Å |
| 75 | N | 50.2 | Low | 48.6 | Very low | 137 Ų | 137 | 125.1 Ų | 125.1 | 73% | 0.733 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -80.9 | -21.7 | -177.1 | -75.7 | -7.7 | 0 | 0 | 0 | 113.6 | L71 H72 E77 | L71-N75 PolarHBondContact O-N 3.44Å; L71-N75 VanDerWaalsContact O-N 3.13Å; H72-N75 PolarHBondContact O-N 2.73Å; N75-E77 PolarHBondContact O-N 3.46Å |
| 76 | N | 44.1 | Very low | 47.2 | Very low | 114 Ų | 114 | 124.3 Ų | 124.3 | 61% | 0.61 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -84.2 | 97.3 | 171.8 | -99.4 | -11.4 | 0 | 0 | 0 | 109.2 | ||
| 77 | E | 41.4 | Very low | 46.1 | Very low | 172 Ų | 172 | 127 Ų | 127 | 80% | 0.804 | 64% | 0.643 | S | S | * | * | S | Bend | trans | 54.8 | 103 | 161.2 | -63.5 | -166.4 | 147.3 | 0 | 0 | 117.4 | N75 L79 | N75-E77 PolarHBondContact O-N 3.46Å; E77-L79 PolarHBondContact O-N 3.15Å |
| 78 | K | 44.6 | Very low | 45.1 | Very low | 216 Ų | 216 | 134 Ų | 134 | 94% | 0.939 | 67% | 0.667 | S | S | * | * | trans | 48.2 | 31.3 | 145.1 | -92.2 | -179 | 179.3 | 173.5 | 0 | 115.7 | K80 | K78-K80 PolarHBondContact O-N 2.98Š| ||
| 79 | L | 39.5 | Very low | 44.2 | Very low | 104 Ų | 104 | 136.9 Ų | 136.9 | 55% | 0.545 | 68% | 0.678 | S | S | . | * | trans | -69.1 | 89.8 | 163 | -75.8 | 169 | 0 | 0 | 0 | 105.8 | A73 E77 S81 | A73-L79 WeakPolarHBondContact O-CD1 3.25Å; E77-L79 PolarHBondContact O-N 3.15Å; L79-S81 PolarHBondContact O-N 2.9Å; L79-S81 PolarHBondContact O-OG 3.31Å | ||
| 80 | K | 35.2 | Very low | 43.3 | Very low | 204 Ų | 204 | 133.6 Ų | 133.6 | 89% | 0.887 | 68% | 0.675 | S | S | * | * | trans | -48.7 | 76.9 | 134.8 | -106.9 | 178.5 | 175.2 | 174.3 | 0 | 104.7 | K78 R82 | K78-K80 PolarHBondContact O-N 2.98Å; K80-R82 PolarHBondContact O-N 3.17Å | ||
| 81 | S | 37.9 | Very low | 42.4 | Very low | 82 Ų | 82 | 132 Ų | 132 | 57% | 0.573 | 68% | 0.681 | S | S | * | * | trans | -73.3 | 65.5 | 176.1 | 46 | 0 | 0 | 0 | 0 | 105.7 | L79 I83 | L79-S81 PolarHBondContact O-N 2.9Å; L79-S81 PolarHBondContact O-OG 3.31Å; S81-I83 PolarHBondContact O-N 3.17Å | ||
| 82 | R | 37 | Very low | 41.8 | Very low | 219 Ų | 219 | 136.6 Ų | 136.6 | 83% | 0.826 | 70% | 0.697 | S | S | * | * | trans | -64.6 | 88.9 | 156.1 | -176.9 | 176.2 | 172.4 | -175.6 | -2.5 | 103.3 | K80 Q84 | K80-R82 PolarHBondContact O-N 3.17Å; R82-Q84 PolarHBondContact O-N 3.14Å | ||
| 83 | I | 38.8 | Very low | 41.7 | Very low | 105 Ų | 105 | 142 Ų | 142 | 54% | 0.538 | 71% | 0.713 | S | S | . | * | trans | -51.9 | 101.6 | 168 | -63.5 | 171.3 | 0 | 0 | 0 | 104.2 | F53 S81 V85 | F53-I83 HydrophobicContact CZ-CD1 4.42Å; S81-I83 PolarHBondContact O-N 3.17Å; I83-V85 HydrophobicContact CG2-CG2 4.31Å; I83-V85 PolarHBondContact O-N 2.64Å | ||
| 84 | Q | 31.8 | Very low | 41.4 | Very low | 175 Ų | 175 | 149.2 Ų | 149.2 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | trans | -75.4 | 92.6 | 178.9 | -165.5 | 174.5 | 28.1 | 0 | 0 | 105.1 | R82 G86 | R82-Q84 PolarHBondContact O-N 3.14Å; Q84-G86 VanDerWaalsContact C-N 3.32Å; Q84-G86 PolarHBondContact O-N 2.95Å | ||
| 85 | V | 32.7 | Very low | 41.5 | Very low | 113 Ų | 113 | 153.4 Ų | 153.4 | 69% | 0.685 | 75% | 0.746 | S | S | * | * | trans | -61.4 | 98.5 | 174.5 | -176.8 | 0 | 0 | 0 | 0 | 106.6 | I83 S87 | I83-V85 HydrophobicContact CG2-CG2 4.31Å; I83-V85 PolarHBondContact O-N 2.64Å; V85-S87 PolarHBondContact O-N 2.86Å | ||
| 86 | G | 27.8 | Very low | 41.2 | Very low | 68 Ų | 68 | 155.9 Ų | 155.9 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | trans | -66.9 | 97.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q84 R88 | Q84-G86 VanDerWaalsContact C-N 3.32Å; Q84-G86 PolarHBondContact O-N 2.95Å; G86-R88 PolarHBondContact O-N 3.3Å | ||
| 87 | S | 38.2 | Very low | 41.3 | Very low | 106 Ų | 106 | 160.8 Ų | 160.8 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | trans | -64.8 | 106.1 | 165.7 | 174.5 | 0 | 0 | 0 | 0 | 108 | V85 R89 | V85-S87 PolarHBondContact O-N 2.86Å; S87-R89 PolarHBondContact O-N 3.42Å | ||
| 88 | R | 39.7 | Very low | 41.6 | Very low | 192 Ų | 192 | 159.2 Ų | 159.2 | 73% | 0.725 | 77% | 0.765 | S | S | * | * | trans | -69.6 | 99.2 | 175.1 | -149.8 | -179.5 | -167.7 | -171.1 | 3.9 | 107 | G86 D90 | G86-R88 PolarHBondContact O-N 3.3Å; R88-D90 PolarHBondContact O-N 3.25Å; R88-D90 VanDerWaalsContact O-N 3.15Å | ||
| 89 | R | 41.3 | Very low | 41.5 | Very low | 236 Ų | 236 | 152.8 Ų | 152.8 | 89% | 0.891 | 76% | 0.761 | S | S | * | * | trans | -55.2 | 119.5 | 169 | -76.6 | -173.7 | 176.3 | -173.6 | -1.3 | 107.5 | S87 G91 | S87-R89 PolarHBondContact O-N 3.42Å; R89-G91 PolarHBondContact O-N 3.18Å | ||
| 90 | D | 46.2 | Very low | 42 | Very low | 123 Ų | 123 | 151.7 Ų | 151.7 | 66% | 0.658 | 78% | 0.775 | S | S | * | * | trans | -57.9 | 100.6 | 179.9 | -110.6 | -42.5 | 0 | 0 | 0 | 109.2 | R7 R88 K92 | R7-D90 IonicContact CZ-OD2 3.55Å; R7-D90 IonicContact NH1-OD2 2.9Å; R7-D90 IonicContact NH2-OD1 2.71Å; R7-D90 IonicContact NH2-OD2 3.86Å; R7-D90 PolarHBondContact NH2-OD2 3.04Å; R88-D90 PolarHBondContact O-N 3.25Å; R88-D90 VanDerWaalsContact O-N 3.15Å; D90-K92 PolarHBondContact O-N 3.11Å | ||
| 91 | G | 43.8 | Very low | 42.5 | Very low | 60 Ų | 60 | 150.6 Ų | 150.6 | 62% | 0.619 | 77% | 0.772 | S | S | * | * | trans | -67.7 | 111.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | R89 R93 | R89-G91 PolarHBondContact O-N 3.18Å; G91-R93 PolarHBondContact O-N 3.04Å | ||
| 92 | K | 47.8 | Very low | 43.1 | Very low | 202 Ų | 202 | 156 Ų | 156 | 88% | 0.878 | 79% | 0.789 | S | S | * | * | trans | -42.9 | 109.7 | 177.2 | -69 | -161.3 | 175.6 | -171.5 | 0 | 110.4 | D90 K94 | D90-K92 PolarHBondContact O-N 3.11Å; K92-K94 PolarHBondContact O-N 3.44Å; K92-K94 VanDerWaalsContact O-N 3.15Å | ||
| 93 | R | 50.1 | Low | 43.4 | Very low | 235 Ų | 235 | 151.2 Ų | 151.2 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | trans | -63.3 | 113.5 | 170.9 | -69.4 | 179.2 | 174.1 | 177.2 | -2.9 | 107.4 | G91 Q95 | G91-R93 PolarHBondContact O-N 3.04Å; R93-Q95 PolarHBondContact O-N 3.29Å | ||
| 94 | K | 50.5 | Low | 43.9 | Very low | 205 Ų | 205 | 150.8 Ų | 150.8 | 89% | 0.891 | 79% | 0.79 | S | S | * | * | trans | -68.7 | 100.2 | 166.6 | -72.9 | -164.6 | 176.6 | -173.7 | 0 | 107.4 | K92 Q96 | K92-K94 PolarHBondContact O-N 3.44Å; K92-K94 VanDerWaalsContact O-N 3.15Å; K94-Q96 PolarHBondContact O-N 3.12Å | ||
| 95 | Q | 51.8 | Low | 44.7 | Very low | 154 Ų | 154 | 150.8 Ų | 150.8 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | trans | -67.3 | 109.2 | 170.9 | -166.1 | 175.2 | 20.5 | 0 | 0 | 107.7 | R93 R97 | R93-Q95 PolarHBondContact O-N 3.29Å; Q95-R97 PolarHBondContact O-N 2.73Å | ||
| 96 | Q | 44 | Very low | 45.2 | Very low | 188 Ų | 188 | 156 Ų | 156 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | -66.6 | 109.4 | 164.8 | -80.8 | 177.2 | -42.9 | 0 | 0 | 107.2 | K94 | K94-Q96 PolarHBondContact O-N 3.12Š| ||
| 97 | R | 47.8 | Very low | 47 | Very low | 218 Ų | 218 | 158.7 Ų | 158.7 | 82% | 0.823 | 80% | 0.803 | S | S | * | * | trans | -92 | 116.8 | 166.6 | -73.8 | -165.5 | 177 | -163.5 | -0.2 | 107.7 | Q95 | Q95-R97 PolarHBondContact O-N 2.73Š| ||
| 98 | T | 47.1 | Very low | 47.6 | Very low | 138 Ų | 138 | 161.5 Ų | 161.5 | 85% | 0.847 | 81% | 0.805 | S | S | * | * | trans | -111.7 | 115.6 | 168.1 | -48.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 99 | G | 42.2 | Very low | 48.1 | Very low | 82 Ų | 82 | 160 Ų | 160 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | trans | 50.2 | 104.6 | 153.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 100 | G | 49.7 | Very low | 48.3 | Very low | 81 Ų | 81 | 151.8 Ų | 151.8 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | -177.3 | 91.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 101 | Q | 46.2 | Very low | 48.8 | Very low | 180 Ų | 180 | 153.9 Ų | 153.9 | 84% | 0.841 | 81% | 0.811 | S | S | * | * | trans | -84.1 | 106.8 | 179.4 | 177.8 | 177.5 | -2.8 | 0 | 0 | 108.8 | ||||
| 102 | E | 50.7 | Low | 49.2 | Very low | 197 Ų | 197 | 162.8 Ų | 162.8 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | trans | -128 | 120.4 | 160 | -75.2 | -174.5 | 173.4 | 0 | 0 | 108.4 | ||||
| 103 | V | 44.2 | Very low | 49.7 | Very low | 118 Ų | 118 | 161.6 Ų | 161.6 | 72% | 0.715 | 83% | 0.828 | S | S | * | * | trans | -92.2 | 152.6 | 179.9 | 169.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 104 | S | 49.5 | Very low | 49.9 | Very low | 96 Ų | 96 | 158.6 Ų | 158.6 | 67% | 0.671 | 82% | 0.824 | S | S | * | * | trans | 96.9 | 139.9 | 164.2 | 92.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 105 | H | 47.6 | Very low | 49.8 | Very low | 174 Ų | 174 | 158.2 Ų | 158.2 | 81% | 0.806 | 83% | 0.826 | S | S | * | * | cis | -145.6 | 146.6 | -1.7 | -101.7 | -70.9 | 0 | 0 | 0 | 107.3 | P107 | H105-P107 WeakPolarHBondContact O-CD 3.4Š| ||
| 106 | Y | 43.3 | Very low | 50 | Low | 224 Ų | 224 | 157.2 Ų | 157.2 | 88% | 0.878 | 83% | 0.83 | S | S | * | * | trans | -64.8 | 138.5 | 166.6 | -88.2 | -100.3 | 0 | 0 | 0 | 110.8 | ||||
| 107 | P | 65.4 | Low | 50.4 | Low | 123 Ų | 123 | 157 Ų | 157 | 80% | 0.799 | 83% | 0.829 | S | S | * | * | -120.8 | 118.4 | 129.1 | 32.1 | -25.8 | 0 | 0 | 0 | 111.1 | H105 | H105-P107 WeakPolarHBondContact O-CD 3.4Š| |||
| 108 | E | 52 | Low | 50.4 | Low | 166 Ų | 166 | 158.2 Ų | 158.2 | 78% | 0.776 | 83% | 0.834 | S | S | * | * | trans | -67.8 | 139.1 | 159.2 | -176.5 | 171.8 | -161.9 | 0 | 0 | 109.2 | ||||
| 109 | N | 49.2 | Very low | 50.3 | Low | 160 Ų | 160 | 154 Ų | 154 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | trans | 143.9 | 99.8 | 166.1 | -76.9 | -15.3 | 0 | 0 | 0 | 105.6 | ||||
| 110 | G | 45.6 | Very low | 51 | Low | 63 Ų | 63 | 156 Ų | 156 | 65% | 0.649 | 82% | 0.815 | S | S | * | * | 91.1 | 97.8 | 57 | 0 | 0 | 0 | 0 | 0 | 106.5 | |||||
| 111 | D | 55.8 | Low | 51.3 | Low | 167 Ų | 167 | 160.4 Ų | 160.4 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | trans | -171.3 | 121.5 | 141.2 | -89.4 | -25.9 | 0 | 0 | 0 | 110.8 | L113 | D111-L113 PolarHBondContact O-N 3.39Š| ||
| 112 | R | 53.7 | Low | 51.7 | Low | 247 Ų | 247 | 160 Ų | 160 | 93% | 0.932 | 81% | 0.813 | S | S | * | * | trans | -49.2 | 113.4 | 170.7 | -77 | 156.8 | 110.6 | 174.8 | -0.7 | 109.6 | ||||
| 113 | L | 58.1 | Low | 51.8 | Low | 177 Ų | 177 | 156.1 Ų | 156.1 | 93% | 0.927 | 80% | 0.798 | S | S | * | * | trans | -94.1 | 119.4 | 159.4 | -102.6 | 159.6 | 0 | 0 | 0 | 108.3 | D111 | D111-L113 PolarHBondContact O-N 3.39Š| ||
| 114 | E | 52.8 | Low | 52.3 | Low | 172 Ų | 172 | 155.2 Ų | 155.2 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -55 | 141.8 | -172.5 | -64.9 | 179.6 | 142.4 | 0 | 0 | 112.8 | T116 | E114-T116 PolarHBondContact O-N 2.92Š| ||
| 115 | E | 48.9 | Very low | 52.6 | Low | 198 Ų | 198 | 156 Ų | 156 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | trans | -58.9 | 102.7 | 169.2 | -64.7 | 179 | 159.6 | 0 | 0 | 108.5 | E117 | E115-E117 PolarHBondContact O-N 3.21Š| ||
| 116 | T | 55.4 | Low | 52.8 | Low | 132 Ų | 132 | 152.6 Ų | 152.6 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | trans | -66.4 | 104.9 | 171.1 | -56.5 | 0 | 0 | 0 | 0 | 108.1 | E114 R118 | E114-T116 PolarHBondContact O-N 2.92Å; T116-R118 PolarHBondContact O-N 3.49Å; T116-R118 VanDerWaalsContact O-N 3.1Å | ||
| 117 | E | 53.8 | Low | 53.2 | Low | 183 Ų | 183 | 145.7 Ų | 145.7 | 86% | 0.855 | 75% | 0.751 | S | S | * | * | trans | -41.9 | 108.6 | 168.4 | -166 | 175.2 | -172.9 | 0 | 0 | 110.3 | E115 G119 | E115-E117 PolarHBondContact O-N 3.21Å; E117-G119 PolarHBondContact O-N 2.89Å | ||
| 118 | R | 47.9 | Very low | 52.2 | Low | 245 Ų | 245 | 145.6 Ų | 145.6 | 93% | 0.925 | 74% | 0.742 | S | S | * | * | trans | -69.7 | 94.9 | 171.3 | -88.1 | -172.5 | -179.7 | -167.7 | -0.3 | 108.4 | T116 | T116-R118 PolarHBondContact O-N 3.49Å; T116-R118 VanDerWaalsContact O-N 3.1Å | ||
| 119 | G | 44.6 | Very low | 52.3 | Low | 48 Ų | 48 | 145.2 Ų | 145.2 | 50% | 0.495 | 73% | 0.733 | S | S | . | * | trans | -62.7 | 161.9 | 166 | 0 | 0 | 0 | 0 | 0 | 112.3 | E117 E121 | E117-G119 PolarHBondContact O-N 2.89Å; G119-E121 VanDerWaalsContact C-N 3.34Å; G119-E121 PolarHBondContact O-N 3.05Å | ||
| 120 | P | 57.7 | Low | 52.4 | Low | 125 Ų | 125 | 143.3 Ų | 143.3 | 81% | 0.812 | 72% | 0.717 | S | S | * | * | trans | -75.7 | 80.4 | -170.4 | 31.8 | -34.9 | 0 | 0 | 0 | 111.3 | E122 | P120-E122 VanDerWaalsContact C-N 3.34Š| ||
| 121 | E | 54.8 | Low | 52.5 | Low | 173 Ų | 173 | 144.3 Ų | 144.3 | 81% | 0.808 | 71% | 0.711 | S | S | * | * | trans | -84.7 | -9.6 | 177 | -146.5 | 172.8 | -170.9 | 0 | 0 | 112.5 | G119 | G119-E121 VanDerWaalsContact C-N 3.34Å; G119-E121 PolarHBondContact O-N 3.05Å | ||
| 122 | E | 54.3 | Low | 52.1 | Low | 173 Ų | 173 | 141.3 Ų | 141.3 | 81% | 0.808 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -78 | -21.2 | -177.3 | -68.9 | -173.6 | 169 | 0 | 0 | 114.1 | P120 | P120-E122 VanDerWaalsContact C-N 3.34Å |
| 123 | D | 54.2 | Low | 51.7 | Low | 115 Ų | 115 | 138.7 Ų | 138.7 | 62% | 0.615 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -79.9 | -24.1 | -174.4 | -147.6 | 20.6 | 0 | 0 | 0 | 113 | T127 | D123-T127 PolarHBondContact O-N 3.37Å; D123-T127 PolarHBondContact O-OG1 3.47Å |
| 124 | V | 54.3 | Low | 51 | Low | 99 Ų | 99 | 137.3 Ų | 137.3 | 60% | 0.6 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -72.7 | -37.8 | 177.6 | -173.4 | 0 | 0 | 0 | 0 | 110.8 | T127 M128 | V124-T127 PolarHBondContact O-N 2.81Å; V124-M128 PolarHBondContact O-N 3.22Å |
| 125 | E | 54.9 | Low | 50.5 | Low | 111 Ų | 111 | 134.7 Ų | 134.7 | 52% | 0.519 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -68.7 | -38.5 | -179.1 | -154.1 | -165.3 | 149.9 | 0 | 0 | 111.5 | R129 | E125-R129 WeakPolarHBondContact O-CG 3.3Å; E125-R129 PolarHBondContact O-N 3.1Å; E125-R129 VanDerWaalsContact O-N 3.13Å; E125-R129 IonicContact OE1-CZ 3.78Å; E125-R129 IonicContact OE1-NE 3.96Å; E125-R129 PolarHBondContact OE1-NE 3.13Å; E125-R129 IonicContact OE1-NH2 3.61Å; E125-R129 PolarHBondContact OE1-NH2 2.87Å |
| 126 | E | 53 | Low | 50.3 | Low | 103 Ų | 103 | 131.6 Ų | 131.6 | 48% | 0.481 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -68.7 | -40.7 | 177.5 | -164.4 | -178.1 | 147.9 | 0 | 0 | 111.8 | M128 R129 K130 | E126-M128 PolarHBondContact O-N 2.99Å; E126-R129 PolarHBondContact O-N 3.31Å; E126-K130 PolarHBondContact O-N 3.48Å; E126-K130 WeakPolarHBondContact OE1-CE 3.34Å; E126-K130 IonicContact OE1-NZ 3.88Å; E126-K130 PolarHBondContact OE1-NZ 3.03Å |
| 127 | T | 50.3 | Low | 50 | Low | 79 Ų | 79 | 132.9 Ų | 132.9 | 49% | 0.485 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -62.7 | -43.3 | 177.9 | -55.2 | 0 | 0 | 0 | 0 | 111.2 | D123 V124 R129 K130 T131 | D123-T127 PolarHBondContact O-N 3.37Å; D123-T127 PolarHBondContact O-OG1 3.47Å; V124-T127 PolarHBondContact O-N 2.81Å; T127-R129 VanDerWaalsContact C-N 3.34Å; T127-R129 PolarHBondContact O-N 3.39Å; T127-K130 PolarHBondContact O-N 3.32Å; T127-T131 PolarHBondContact O-N 3.31Å; T127-T131 PolarHBondContact O-OG1 3.41Å; T127-T131 VanDerWaalsContact O-OG1 3.11Å |
| 128 | M | 45.3 | Very low | 49.3 | Very low | 122 Ų | 122 | 130.3 Ų | 130.3 | 60% | 0.601 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -60 | -41.9 | 174.2 | -107.6 | 179.8 | 58.4 | 0 | 0 | 112.4 | V124 E126 K130 L132 | V124-M128 PolarHBondContact O-N 3.22Å; E126-M128 PolarHBondContact O-N 2.99Å; M128-K130 VanDerWaalsContact C-N 3.34Å; M128-K130 PolarHBondContact O-N 2.81Å; M128-L132 WeakPolarHBondContact O-CG 3.12Å; M128-L132 PolarHBondContact O-N 2.92Å; M128-L132 VanDerWaalsContact O-N 3.17Å |
| 129 | R | 52.8 | Low | 48.9 | Very low | 157 Ų | 157 | 121.7 Ų | 121.7 | 59% | 0.592 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -66.5 | -32.7 | 178.8 | -75.9 | -177.8 | -176.6 | -165.8 | 6.7 | 112.9 | E125 E126 T127 | E125-R129 WeakPolarHBondContact O-CG 3.3Å; E125-R129 PolarHBondContact O-N 3.1Å; E125-R129 VanDerWaalsContact O-N 3.13Å; E125-R129 IonicContact OE1-CZ 3.78Å; E125-R129 IonicContact OE1-NE 3.96Å; E125-R129 PolarHBondContact OE1-NE 3.13Å; E125-R129 IonicContact OE1-NH2 3.61Å; E125-R129 PolarHBondContact OE1-NH2 2.87Å; E126-R129 PolarHBondContact O-N 3.31Å; T127-R129 VanDerWaalsContact C-N 3.34Å; T127-R129 PolarHBondContact O-N 3.39Å |
| 130 | K | 51.4 | Low | 48.7 | Very low | 121 Ų | 121 | 125.9 Ų | 125.9 | 53% | 0.526 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -73.6 | -45.9 | 175.8 | -85.1 | 170.4 | 172.4 | 155.8 | 0 | 111.7 | E126 T127 M128 L132 R133 H134 | E126-K130 PolarHBondContact O-N 3.48Å; E126-K130 WeakPolarHBondContact OE1-CE 3.34Å; E126-K130 IonicContact OE1-NZ 3.88Å; E126-K130 PolarHBondContact OE1-NZ 3.03Å; T127-K130 PolarHBondContact O-N 3.32Å; M128-K130 VanDerWaalsContact C-N 3.34Å; M128-K130 PolarHBondContact O-N 2.81Å; K130-L132 VanDerWaalsContact C-N 3.32Å; K130-L132 PolarHBondContact O-N 2.93Å; K130-R133 PolarHBondContact O-N 2.91Å; K130-R133 VanDerWaalsContact O-N 3.15Å; K130-H134 PolarHBondContact O-CD2 3.43Å |
| 131 | T | 47.9 | Very low | 47.9 | Very low | 83 Ų | 83 | 123.9 Ų | 123.9 | 51% | 0.509 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -60.9 | -39.9 | 179.9 | -55.3 | 0 | 0 | 0 | 0 | 112.3 | T127 R133 H134 L135 | T127-T131 PolarHBondContact O-N 3.31Å; T127-T131 PolarHBondContact O-OG1 3.41Å; T127-T131 VanDerWaalsContact O-OG1 3.11Å; T131-R133 VanDerWaalsContact C-N 3.29Å; T131-R133 PolarHBondContact O-N 2.84Å; T131-H134 PolarHBondContact O-N 3.41Å; T131-L135 PolarHBondContact O-N 3.1Å |
| 132 | L | 48.8 | Very low | 47.5 | Very low | 104 Ų | 104 | 124.5 Ų | 124.5 | 55% | 0.545 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -64.1 | -30.3 | 178 | -80 | 165.5 | 0 | 0 | 0 | 113.7 | M128 K130 H134 | M128-L132 WeakPolarHBondContact O-CG 3.12Å; M128-L132 PolarHBondContact O-N 2.92Å; M128-L132 VanDerWaalsContact O-N 3.17Å; K130-L132 VanDerWaalsContact C-N 3.32Å; K130-L132 PolarHBondContact O-N 2.93Å; L132-H134 VanDerWaalsContact C-N 3.33Å |
| 133 | R | 44.6 | Very low | 47.1 | Very low | 192 Ų | 192 | 125.4 Ų | 125.4 | 73% | 0.725 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -71.3 | -29.9 | 177.1 | -71.6 | -179.6 | -170.5 | -111.1 | 4.7 | 112.5 | K130 T131 | K130-R133 PolarHBondContact O-N 2.91Å; K130-R133 VanDerWaalsContact O-N 3.15Å; T131-R133 VanDerWaalsContact C-N 3.29Å; T131-R133 PolarHBondContact O-N 2.84Å |
| 134 | H | 42.7 | Very low | 46.7 | Very low | 149 Ų | 149 | 128 Ų | 128 | 69% | 0.69 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -80.3 | -33.6 | 178.7 | -70.6 | -63.6 | 0 | 0 | 0 | 112.5 | K130 T131 L132 L136 L137 | K130-H134 PolarHBondContact O-CD2 3.43Å; T131-H134 PolarHBondContact O-N 3.41Å; L132-H134 VanDerWaalsContact C-N 3.33Å; H134-L136 VanDerWaalsContact C-N 3.34Å; H134-L136 PolarHBondContact O-N 2.89Å; H134-L137 PolarHBondContact O-N 3.39Å |
| 135 | L | 43.3 | Very low | 46.3 | Very low | 117 Ų | 117 | 126.2 Ų | 126.2 | 61% | 0.613 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -68.4 | -32.3 | 179.3 | -134.3 | 95 | 0 | 0 | 0 | 112.9 | T131 L137 V138 | T131-L135 PolarHBondContact O-N 3.1Å; L135-L137 PolarHBondContact O-N 3.05Å; L135-V138 PolarHBondContact O-N 2.72Å |
| 136 | L | 44.1 | Very low | 45.9 | Very low | 133 Ų | 133 | 132.7 Ų | 132.7 | 70% | 0.696 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -13 | -179.5 | -83.3 | 165.8 | 0 | 0 | 0 | 114.5 | H134 | H134-L136 VanDerWaalsContact C-N 3.34Å; H134-L136 PolarHBondContact O-N 2.89Å |
| 137 | L | 49.2 | Very low | 45.9 | Very low | 158 Ų | 158 | 134.3 Ų | 134.3 | 83% | 0.827 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -12.2 | 177.7 | -111.6 | 99.7 | 0 | 0 | 0 | 114.2 | H134 L135 | H134-L137 PolarHBondContact O-N 3.39Å; L135-L137 PolarHBondContact O-N 3.05Å |
| 138 | V | 38.2 | Very low | 45.9 | Very low | 130 Ų | 130 | 135.5 Ų | 135.5 | 79% | 0.788 | 72% | 0.724 | S | S | * | * | trans | -119 | 90.7 | -176.5 | 176.7 | 0 | 0 | 0 | 0 | 108.8 | L135 | L135-V138 PolarHBondContact O-N 2.72Š| ||
| 139 | G | 40.3 | Very low | 46.4 | Very low | 63 Ų | 63 | 137.9 Ų | 137.9 | 65% | 0.649 | 74% | 0.736 | S | S | * | * | trans | -177.3 | 49 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 140 | T | 41.4 | Very low | 46.6 | Very low | 137 Ų | 137 | 141.6 Ų | 141.6 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | trans | 22.1 | 120.7 | 143.6 | 41.9 | 0 | 0 | 0 | 0 | 119.4 | E142 | T140-E142 PolarHBondContact O-N 3.04Š| ||
| 141 | G | 39.9 | Very low | 47.1 | Very low | 83 Ų | 83 | 142.3 Ų | 142.3 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | trans | -61.8 | 117.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 142 | E | 45.9 | Very low | 47.8 | Very low | 185 Ų | 185 | 145 Ų | 145 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | -79.4 | 113.8 | 155.9 | -91.5 | -178.8 | 143.1 | 0 | 0 | 109 | T140 I144 | T140-E142 PolarHBondContact O-N 3.04Å; E142-I144 PolarHBondContact O-N 2.93Å; E142-I144 VanDerWaalsContact O-N 3.12Å | ||
| 143 | Q | 46.6 | Very low | 48.2 | Very low | 192 Ų | 192 | 144.5 Ų | 144.5 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | trans | -60.1 | 111.6 | 169.2 | -68.6 | 178.2 | 18.8 | 0 | 0 | 108.7 | G145 | Q143-G145 PolarHBondContact O-N 3.23Š| ||
| 144 | I | 46.3 | Very low | 48.8 | Very low | 170 Ų | 170 | 144.3 Ų | 144.3 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | trans | -60.1 | 104.8 | 170.9 | -65.8 | 171 | 0 | 0 | 0 | 107.5 | E142 R146 | E142-I144 PolarHBondContact O-N 2.93Å; E142-I144 VanDerWaalsContact O-N 3.12Å; I144-R146 PolarHBondContact O-N 3.46Å | ||
| 145 | G | 46.1 | Very low | 49.9 | Very low | 62 Ų | 62 | 147.9 Ų | 147.9 | 64% | 0.639 | 81% | 0.806 | S | S | * | * | trans | -54.6 | 120.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q143 V147 | Q143-G145 PolarHBondContact O-N 3.23Å; G145-V147 PolarHBondContact O-N 3.12Å | ||
| 146 | R | 46 | Very low | 50.8 | Low | 247 Ų | 247 | 147.7 Ų | 147.7 | 93% | 0.932 | 81% | 0.812 | S | S | * | * | trans | -55.1 | 104.4 | 173.5 | -153.9 | 178.9 | -171.4 | -164.7 | 2.8 | 109.1 | I144 S148 | I144-R146 PolarHBondContact O-N 3.46Å; R146-S148 PolarHBondContact O-N 3.44Å | ||
| 147 | V | 51.9 | Low | 51.8 | Low | 136 Ų | 136 | 152.6 Ų | 152.6 | 82% | 0.824 | 82% | 0.823 | S | S | * | * | trans | -62.3 | 107.6 | 173 | 170 | 0 | 0 | 0 | 0 | 108.4 | G145 M149 | G145-V147 PolarHBondContact O-N 3.12Å; V147-M149 PolarHBondContact O-N 3.04Å | ||
| 148 | S | 51.6 | Low | 52.4 | Low | 104 Ų | 104 | 153.1 Ų | 153.1 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | trans | -79.8 | 111.3 | 177.8 | -169.8 | 0 | 0 | 0 | 0 | 109.4 | R146 R150 | R146-S148 PolarHBondContact O-N 3.44Å; S148-R150 PolarHBondContact O-N 3.39Å | ||
| 149 | M | 55.6 | Low | 53.9 | Low | 173 Ų | 173 | 154.2 Ų | 154.2 | 85% | 0.852 | 82% | 0.817 | S | S | * | * | trans | -67.9 | 107.3 | 173.4 | -69 | -174.8 | 76.8 | 0 | 0 | 109.4 | V147 T151 | V147-M149 PolarHBondContact O-N 3.04Å; M149-T151 PolarHBondContact O-N 3.18Å | ||
| 150 | R | 56.3 | Low | 55.1 | Low | 234 Ų | 234 | 159 Ų | 159 | 88% | 0.883 | 83% | 0.825 | S | S | * | * | trans | -80.4 | 105.6 | 166.1 | -71.9 | -176.6 | 176.1 | -179.8 | -1 | 108.5 | S148 V152 | S148-R150 PolarHBondContact O-N 3.39Å; R150-V152 PolarHBondContact O-N 3.37Å | ||
| 151 | T | 62.3 | Low | 56.2 | Low | 136 Ų | 136 | 157.6 Ų | 157.6 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | trans | -66.6 | 116.7 | 166.1 | 29.4 | 0 | 0 | 0 | 0 | 109.1 | M149 A153 | M149-T151 PolarHBondContact O-N 3.18Å; T151-A153 PolarHBondContact O-N 3.37Å | ||
| 152 | V | 62.5 | Low | 57.6 | Low | 141 Ų | 141 | 164.2 Ų | 164.2 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | trans | -76.2 | 113.1 | 173.9 | 175.5 | 0 | 0 | 0 | 0 | 107.5 | R150 E154 | R150-V152 PolarHBondContact O-N 3.37Å; V152-E154 PolarHBondContact O-N 3.27Å | ||
| 153 | A | 56.7 | Low | 58.4 | Low | 92 Ų | 92 | 165.7 Ų | 165.7 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | trans | -66.4 | 115.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | T151 R155 | T151-A153 PolarHBondContact O-N 3.37Å; A153-R155 PolarHBondContact O-N 3.48Å | ||
| 154 | E | 58.9 | Low | 58.9 | Low | 188 Ų | 188 | 165 Ų | 165 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 122.5 | 177.3 | -160.6 | 170.3 | -164.2 | 0 | 0 | 109.8 | V152 | V152-E154 PolarHBondContact O-N 3.27Š|
| 155 | R | 65.7 | Low | 59.7 | Low | 224 Ų | 224 | 164.3 Ų | 164.3 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -83 | 135.8 | 177.4 | -73.5 | -175.8 | 175.7 | -177.6 | -1.5 | 109.8 | A153 Y157 | A153-R155 PolarHBondContact O-N 3.48Å; R155-Y157 PolarHBondContact O-N 3.46Å |
| 156 | P | 62.1 | Low | 60.3 | Low | 114 Ų | 114 | 167.9 Ų | 167.9 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 128.8 | -179.6 | 24.9 | -30.3 | 0 | 0 | 0 | 112 | H158 | P156-H158 PolarHBondContact O-N 3.46Š|
| 157 | Y | 64.6 | Low | 61.1 | Low | 236 Ų | 236 | 161.8 Ų | 161.8 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 120.6 | 173.7 | -91.7 | -101.7 | 0 | 0 | 0 | 110.7 | R155 H159 | R155-Y157 PolarHBondContact O-N 3.46Å; Y157-H159 PolarHBondContact O-N 3.46Å |
| 158 | H | 61.9 | Low | 61.2 | Low | 169 Ų | 169 | 162.3 Ų | 162.3 | 78% | 0.782 | 79% | 0.789 | S | S | * | * | trans | -83.4 | 108.7 | 168.4 | -86.5 | -77.6 | 0 | 0 | 0 | 110.1 | P156 | P156-H158 PolarHBondContact O-N 3.46Š| ||
| 159 | H | 68.6 | Low | 61.4 | Low | 153 Ų | 153 | 168.7 Ų | 168.7 | 71% | 0.708 | 82% | 0.815 | S | S | * | * | trans | -75.5 | 114.4 | 170.8 | -169.7 | -5.2 | 0 | 0 | 0 | 109 | Y157 D161 | Y157-H159 PolarHBondContact O-N 3.46Å; H159-D161 IonicContact CE1-OD1 3.82Å; H159-D161 PolarHBondContact CE1-OD1 2.9Å; H159-D161 IonicContact CE1-OD2 3.37Å; H159-D161 IonicContact ND1-OD1 2.83Å; H159-D161 IonicContact NE2-OD1 2.73Å; H159-D161 IonicContact NE2-OD2 3.4Å | ||
| 160 | M | 65.3 | Low | 61.7 | Low | 162 Ų | 162 | 168.5 Ų | 168.5 | 80% | 0.798 | 81% | 0.813 | S | S | * | * | trans | -102.9 | 99.6 | 171.8 | -72.5 | -72.4 | -177.4 | 0 | 0 | 108.5 | R162 | M160-R162 PolarHBondContact O-N 3.23Š| ||
| 161 | D | 65.7 | Low | 62 | Low | 108 Ų | 108 | 165 Ų | 165 | 58% | 0.578 | 81% | 0.809 | S | S | * | * | trans | -73.9 | 100.8 | 170.7 | -78.6 | -43.2 | 0 | 0 | 0 | 109.9 | H159 | H159-D161 IonicContact CE1-OD1 3.82Å; H159-D161 PolarHBondContact CE1-OD1 2.9Å; H159-D161 IonicContact CE1-OD2 3.37Å; H159-D161 IonicContact ND1-OD1 2.83Å; H159-D161 IonicContact NE2-OD1 2.73Å; H159-D161 IonicContact NE2-OD2 3.4Å | ||
| 162 | R | 68.7 | Low | 62 | Low | 222 Ų | 222 | 166.6 Ų | 166.6 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | trans | -103 | 82.3 | 170.1 | -170.3 | -175 | -89.1 | -171.4 | -5.8 | 108 | M160 | M160-R162 PolarHBondContact O-N 3.23Š| ||
| 163 | W | 62.6 | Low | 62 | Low | 217 Ų | 217 | 168.1 Ų | 168.1 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -71.6 | 128.9 | 169.7 | -73.2 | 90.1 | 0 | 0 | 0 | 109.6 | ||||
| 164 | R | 56.7 | Low | 62.3 | Low | 178 Ų | 178 | 172.9 Ų | 172.9 | 67% | 0.672 | 81% | 0.808 | S | S | * | * | trans | -118.9 | 92.9 | -167.8 | -167.8 | -165.7 | -60.1 | -136.4 | 6.4 | 105.7 | E166 | R164-E166 VanDerWaalsContact C-N 3.3Å; R164-E166 HydrophobicContact CG-CG 4.31Å; R164-E166 PolarHBondContact O-N 3.11Å | ||
| 165 | D | 63.3 | Low | 62.5 | Low | 154 Ų | 154 | 171.9 Ų | 171.9 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | -89 | 77.6 | 172.8 | -73.9 | -19.5 | 0 | 0 | 0 | 108.8 | ||||
| 166 | E | 58.3 | Low | 62.3 | Low | 137 Ų | 137 | 168.1 Ų | 168.1 | 64% | 0.64 | 80% | 0.8 | S | S | * | * | trans | -88.9 | 78.7 | 158.8 | -76.7 | 173.3 | 175.4 | 0 | 0 | 107.6 | R164 L168 | R164-E166 VanDerWaalsContact C-N 3.3Å; R164-E166 HydrophobicContact CG-CG 4.31Å; R164-E166 PolarHBondContact O-N 3.11Å; E166-L168 VanDerWaalsContact C-N 3.26Å; E166-L168 PolarHBondContact O-N 3.2Å; E166-L168 VanDerWaalsContact O-N 3.11Å | ||
| 167 | S | 64.4 | Low | 62.3 | Low | 120 Ų | 120 | 172.3 Ų | 172.3 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | trans | -80.4 | 84.2 | 162.1 | 50.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 168 | L | 53.8 | Low | 62.1 | Low | 146 Ų | 146 | 167 Ų | 167 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | trans | -72.7 | 143.2 | 162.9 | -90.9 | 153.2 | 0 | 0 | 0 | 110.3 | E166 | E166-L168 VanDerWaalsContact C-N 3.26Å; E166-L168 PolarHBondContact O-N 3.2Å; E166-L168 VanDerWaalsContact O-N 3.11Å | ||
| 169 | N | 55.9 | Low | 62.1 | Low | 238 Ų | 238 | 166.8 Ų | 166.8 | 100% | 1.273 | 80% | 0.796 | S | S | * | * | trans | 78.4 | 0 | 170.3 | -93.4 | -1.6 | 0 | 0 | 0 | 118.7 |
Retrieved 169 of 169 residues in 181.7 ms
(Link to these results)