| 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 | 25.9 | Very low | 21.8 | Very low | 241 Ų | 241 | 129.8 Ų | 129.8 | 100% | 1.187 | 78% | 0.781 | S | S | * | * | 0 | 125.3 | 0 | -65.8 | 171.3 | 93.7 | 0 | 0 | 106.6 | |||||
| 2 | A | 19.5 | Very low | 21.9 | Very low | 95 Ų | 95 | 128.5 Ų | 128.5 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 141 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 3 | P | 20.5 | Very low | 22.1 | Very low | 110 Ų | 110 | 127.9 Ų | 127.9 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -60 | 147.9 | 177.8 | 23.9 | -31.8 | 0 | 0 | 0 | 110.6 | T5 | P3-T5 PolarHBondContact O-N 3.47Š|
| 4 | P | 23.2 | Very low | 22.1 | Very low | 130 Ų | 130 | 132.8 Ų | 132.8 | 84% | 0.844 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 125.3 | -179.8 | 21.5 | -31.2 | 0 | 0 | 0 | 110.1 | L6 | P4-L6 PolarHBondContact O-N 2.77Å; P4-L6 VanDerWaalsContact O-N 3.15Å |
| 5 | T | 19.5 | Very low | 22.2 | Very low | 129 Ų | 129 | 132.6 Ų | 132.6 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | -59.6 | 115.9 | -179.6 | -45.7 | 0 | 0 | 0 | 0 | 109.3 | P3 I7 | P3-T5 PolarHBondContact O-N 3.47Å; T5-I7 PolarHBondContact O-N 3.41Å | ||
| 6 | L | 23.1 | Very low | 22.3 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 65% | 0.654 | 80% | 0.798 | S | S | * | * | trans | -61 | 103.4 | 168.9 | -161.6 | 89 | 0 | 0 | 0 | 107.4 | P4 T8 | P4-L6 PolarHBondContact O-N 2.77Å; P4-L6 VanDerWaalsContact O-N 3.15Å; L6-T8 VanDerWaalsContact C-N 3.27Å; L6-T8 HydrophobicContact CD2-CG2 3.95Å; L6-T8 PolarHBondContact O-N 3.38Å | ||
| 7 | I | 20.9 | Very low | 22.4 | Very low | 156 Ų | 156 | 133.9 Ų | 133.9 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | trans | -71.3 | 92.7 | 170.2 | -58.6 | 175.9 | 0 | 0 | 0 | 106.1 | T5 A9 | T5-I7 PolarHBondContact O-N 3.41Å; I7-A9 VanDerWaalsContact C-N 3.33Å; I7-A9 PolarHBondContact O-N 3.24Å | ||
| 8 | T | 21.9 | Very low | 22.4 | Very low | 102 Ų | 102 | 136.8 Ų | 136.8 | 63% | 0.626 | 79% | 0.788 | S | S | * | * | trans | -67.7 | 97.3 | 163.9 | 48.6 | 0 | 0 | 0 | 0 | 106.8 | L6 N10 | L6-T8 VanDerWaalsContact C-N 3.27Å; L6-T8 HydrophobicContact CD2-CG2 3.95Å; L6-T8 PolarHBondContact O-N 3.38Å; T8-N10 VanDerWaalsContact C-N 3.34Å; T8-N10 PolarHBondContact O-N 3.14Å | ||
| 9 | A | 22.2 | Very low | 22.6 | Very low | 74 Ų | 74 | 138.9 Ų | 138.9 | 61% | 0.612 | 78% | 0.783 | S | S | * | * | trans | -62.4 | 101.8 | 165 | 0 | 0 | 0 | 0 | 0 | 107.1 | I7 C11 | I7-A9 VanDerWaalsContact C-N 3.33Å; I7-A9 PolarHBondContact O-N 3.24Å; A9-C11 PolarHBondContact O-N 2.97Å | ||
| 10 | N | 20.3 | Very low | 22.8 | Very low | 154 Ų | 154 | 138.4 Ų | 138.4 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | trans | -66.3 | 78.7 | 163.2 | -92.4 | -14 | 0 | 0 | 0 | 107 | T8 C12 | T8-N10 VanDerWaalsContact C-N 3.34Å; T8-N10 PolarHBondContact O-N 3.14Å; N10-C12 PolarHBondContact O-N 3.13Å | ||
| 11 | C | 23 | Very low | 23.1 | Very low | 112 Ų | 112 | 139.9 Ų | 139.9 | 76% | 0.757 | 77% | 0.771 | S | S | * | * | trans | -78.5 | 67.2 | 172.6 | -69.3 | 0 | 0 | 0 | 0 | 109.2 | A9 | A9-C11 PolarHBondContact O-N 2.97Š| ||
| 12 | C | 22.9 | Very low | 23.2 | Very low | 114 Ų | 114 | 134.7 Ų | 134.7 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | trans | -84.8 | 106.2 | 156.1 | -88 | 0 | 0 | 0 | 0 | 106.6 | N10 | N10-C12 PolarHBondContact O-N 3.13Š| ||
| 13 | C | 24.4 | Very low | 23.5 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 68.3 | 83.3 | 165.9 | -48.5 | 0 | 0 | 0 | 0 | 115.3 | ||
| 14 | E | 22.3 | Very low | 24 | Very low | 196 Ų | 196 | 132.1 Ų | 132.1 | 92% | 0.916 | 72% | 0.716 | S | S | * | * | trans | -160.4 | 145.3 | 143.9 | -107.5 | 162.3 | -147.5 | 0 | 0 | 109.3 | ||||
| 15 | T | 23.2 | Very low | 24.2 | Very low | 130 Ų | 130 | 131.7 Ų | 131.7 | 80% | 0.798 | 71% | 0.711 | S | S | * | * | trans | -71.6 | 137.2 | -150.2 | 39.6 | 0 | 0 | 0 | 0 | 115.6 | V17 | T15-V17 PolarHBondContact O-N 3.42Š| ||
| 16 | E | 25 | Very low | 24.6 | Very low | 188 Ų | 188 | 128.5 Ų | 128.5 | 88% | 0.879 | 69% | 0.694 | S | S | * | * | S | Bend | trans | 36.6 | 71.2 | 146.5 | -62 | -179.1 | 168.8 | 0 | 0 | 118.3 | ||
| 17 | V | 22.6 | Very low | 24.8 | Very low | 99 Ų | 99 | 126.7 Ų | 126.7 | 60% | 0.6 | 69% | 0.685 | S | S | * | * | -172.4 | 101.3 | 123.5 | 178.1 | 0 | 0 | 0 | 0 | 105.8 | T15 Y19 | T15-V17 PolarHBondContact O-N 3.42Å; V17-Y19 HydrophobicContact CB-CE2 4.11Å; V17-Y19 HydrophobicContact CG1-CD2 4.13Å; V17-Y19 HydrophobicContact CG1-CE1 4.12Å; V17-Y19 HydrophobicContact CG1-CE2 3.67Å; V17-Y19 PolarHBondContact O-N 2.89Å; V17-Y19 VanDerWaalsContact O-N 3.15Å | |||
| 18 | K | 23.5 | Very low | 25.3 | Very low | 186 Ų | 186 | 123.8 Ų | 123.8 | 81% | 0.809 | 67% | 0.667 | S | S | * | * | trans | -81.4 | 93.1 | 180 | -71.9 | -178.1 | -179.6 | 176.6 | 0 | 110.1 | F20 | K18-F20 PolarHBondContact O-N 3.3Š| ||
| 19 | Y | 26.2 | Very low | 25.7 | Very low | 177 Ų | 177 | 120.6 Ų | 120.6 | 69% | 0.694 | 65% | 0.647 | S | S | * | * | trans | -68.5 | 116.4 | 165.3 | -62.2 | -80 | 0 | 0 | 0 | 109.6 | V17 K21 V42 | V17-Y19 HydrophobicContact CB-CE2 4.11Å; V17-Y19 HydrophobicContact CG1-CD2 4.13Å; V17-Y19 HydrophobicContact CG1-CE1 4.12Å; V17-Y19 HydrophobicContact CG1-CE2 3.67Å; V17-Y19 PolarHBondContact O-N 2.89Å; V17-Y19 VanDerWaalsContact O-N 3.15Å; Y19-K21 PolarHBondContact O-N 3.27Å; Y19-V42 HydrophobicContact CD1-CG1 4.05Å; Y19-V42 HydrophobicContact CE1-CG1 4.41Å | ||
| 20 | F | 26.8 | Very low | 25.9 | Very low | 129 Ų | 129 | 122.8 Ų | 122.8 | 57% | 0.566 | 65% | 0.648 | S | S | * | * | trans | -80.8 | 100.3 | 168.9 | -75 | -87 | 0 | 0 | 0 | 108.5 | K18 Y22 L135 | K18-F20 PolarHBondContact O-N 3.3Å; F20-Y22 HydrophobicContact CB-CE2 4.3Å; F20-Y22 PolarHBondContact O-N 3.24Å; F20-L135 HydrophobicContact CE1-CD2 4.44Å | ||
| 21 | K | 28.5 | Very low | 26.3 | Very low | 170 Ų | 170 | 120 Ų | 120 | 74% | 0.739 | 63% | 0.632 | S | S | * | * | trans | -70.7 | 96.6 | 177.5 | -163.5 | 169.9 | -171.2 | 167.6 | 0 | 109.9 | Y19 C23 | Y19-K21 PolarHBondContact O-N 3.27Å; K21-C23 PolarHBondContact O-N 3.4Å | ||
| 22 | Y | 29 | Very low | 26.7 | Very low | 131 Ų | 131 | 115.4 Ų | 115.4 | 51% | 0.514 | 60% | 0.6 | S | S | . | * | B | Isolated β-bridge | trans | -77 | 116.2 | 166.2 | -72.8 | -81.1 | 0 | 0 | 0 | 108.7 | F20 S24 A43 | F20-Y22 HydrophobicContact CB-CE2 4.3Å; F20-Y22 PolarHBondContact O-N 3.24Å; Y22-S24 PolarHBondContact O-N 3.25Å; Y22-S24 VanDerWaalsContact O-N 3.08Å; Y22-A43 HydrophobicContact CE2-CB 4.32Å |
| 23 | C | 25.6 | Very low | 27.1 | Very low | 108 Ų | 108 | 110.5 Ų | 110.5 | 73% | 0.73 | 57% | 0.566 | S | S | * | * | trans | -82.8 | 73.5 | 168.5 | -147.1 | 0 | 0 | 0 | 0 | 108.1 | K21 T25 | K21-C23 PolarHBondContact O-N 3.4Å; C23-T25 PolarHBondContact O-N 3.37Å | ||
| 24 | S | 29.8 | Very low | 27.3 | Very low | 44 Ų | 44 | 112.8 Ų | 112.8 | 31% | 0.308 | 57% | 0.569 | S | S | . | * | trans | -90.9 | 84.3 | 169 | 61.1 | 0 | 0 | 0 | 0 | 108.8 | Y22 S26 | Y22-S24 PolarHBondContact O-N 3.25Å; Y22-S24 VanDerWaalsContact O-N 3.08Å; S24-S26 PolarHBondContact O-N 3.01Å | ||
| 25 | T | 27.2 | Very low | 27.5 | Very low | 120 Ų | 120 | 106.1 Ų | 106.1 | 74% | 0.736 | 54% | 0.544 | S | S | * | . | trans | -71.5 | 35.8 | 160.7 | 41.5 | 0 | 0 | 0 | 0 | 111.3 | C23 L27 | C23-T25 PolarHBondContact O-N 3.37Å; T25-L27 PolarHBondContact O-N 3.47Å | ||
| 26 | S | 28.4 | Very low | 27.7 | Very low | 62 Ų | 62 | 112.2 Ų | 112.2 | 43% | 0.434 | 55% | 0.553 | S | S | . | * | trans | -77.3 | 109.7 | 169.4 | 53.5 | 0 | 0 | 0 | 0 | 107 | S24 F28 V29 | S24-S26 PolarHBondContact O-N 3.01Å; S26-F28 PolarHBondContact O-N 2.68Å; S26-V29 PolarHBondContact O-N 2.95Å | ||
| 27 | L | 28 | Very low | 27.9 | Very low | 87 Ų | 87 | 104.9 Ų | 104.9 | 46% | 0.455 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -37.1 | -4.9 | 177.5 | -126.7 | 91.5 | 0 | 0 | 0 | 118.3 | T25 V29 L30 | T25-L27 PolarHBondContact O-N 3.47Å; L27-V29 PolarHBondContact O-N 3.24Å; L27-V29 VanDerWaalsContact O-N 3.15Å; L27-L30 HydrophobicContact CD1-CD1 3.6Å; L27-L30 HydrophobicContact CD2-CD1 4.26Å; L27-L30 HydrophobicContact CG-CB 4.15Å; L27-L30 HydrophobicContact CG-CD1 3.54Å; L27-L30 HydrophobicContact CG-CG 4.39Å; L27-L30 PolarHBondContact O-N 3.45Å |
| 28 | F | 30.2 | Very low | 28.3 | Very low | 95 Ų | 95 | 104.4 Ų | 104.4 | 42% | 0.417 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -48.1 | -33.9 | 166.5 | -147.4 | -90.8 | 0 | 0 | 0 | 111.7 | S26 L32 L95 | S26-F28 PolarHBondContact O-N 2.68Å; F28-L32 HydrophobicContact CD1-CD1 4.28Å; F28-L95 HydrophobicContact CE1-CD1 4.46Å; F28-L95 HydrophobicContact CE1-CD2 3.89Å; F28-L95 HydrophobicContact CZ-CD2 3.87Å; F28-L95 HydrophobicContact CZ-CG 4.38Å |
| 29 | V | 30.5 | Very low | 28.7 | Very low | 36 Ų | 36 | 96.2 Ų | 96.2 | 22% | 0.218 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -66.7 | -32.3 | 175.1 | 178.4 | 0 | 0 | 0 | 0 | 113.4 | S26 L27 L32 V39 | S26-V29 PolarHBondContact O-N 2.95Å; L27-V29 PolarHBondContact O-N 3.24Å; L27-V29 VanDerWaalsContact O-N 3.15Å; V29-L32 PolarHBondContact O-N 2.84Å; V29-V39 HydrophobicContact CB-CB 4.48Å; V29-V39 HydrophobicContact CG1-CB 3.71Å; V29-V39 HydrophobicContact CG1-CG2 3.66Å; V29-V39 HydrophobicContact CG2-CB 3.93Å; V29-V39 HydrophobicContact CG2-CG1 4.36Å; V29-V39 HydrophobicContact CG2-CG2 4.49Å |
| 30 | L | 26.7 | Very low | 29 | Very low | 119 Ų | 119 | 90.5 Ų | 90.5 | 62% | 0.623 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -76.6 | -22.9 | -176.6 | -84.8 | 163 | 0 | 0 | 0 | 113.2 | L27 | L27-L30 HydrophobicContact CD1-CD1 3.6Å; L27-L30 HydrophobicContact CD2-CD1 4.26Å; L27-L30 HydrophobicContact CG-CB 4.15Å; L27-L30 HydrophobicContact CG-CD1 3.54Å; L27-L30 HydrophobicContact CG-CG 4.39Å; L27-L30 PolarHBondContact O-N 3.45Å |
| 31 | I | 28.2 | Very low | 29.3 | Very low | 97 Ų | 97 | 86.3 Ų | 86.3 | 50% | 0.497 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -76.2 | -31 | 173.5 | -61.1 | 177.6 | 0 | 0 | 0 | 110.5 | F98 | I31-F98 HydrophobicContact CG2-CE1 4.1Å |
| 32 | L | 32.7 | Very low | 29.5 | Very low | 15 Ų | 15 | 79.9 Ų | 79.9 | 8% | 0.079 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -73.9 | -28.9 | -174.1 | -74 | 164.5 | 0 | 0 | 0 | 113.4 | F28 V29 M79 | F28-L32 HydrophobicContact CD1-CD1 4.28Å; V29-L32 PolarHBondContact O-N 2.84Å; L32-M79 HydrophobicContact CD2-CE 3.63Å |
| 33 | F | 29.9 | Very low | 29.7 | Very low | 11 Ų | 11 | 76 Ų | 76 | 5% | 0.048 | 42% | 0.417 | C | S | . | . | trans | -140.8 | 118.8 | -171.6 | -60.7 | -81.8 | 0 | 0 | 0 | 111.9 | S35 I37 V39 L61 L70 A75 W90 | F33-S35 PolarHBondContact O-N 3.39Å; F33-I37 HydrophobicContact CB-CB 4.4Å; F33-I37 HydrophobicContact CD1-CD1 3.78Å; F33-I37 HydrophobicContact CE1-CD1 4.21Å; F33-I37 HydrophobicContact CG-CB 4.34Å; F33-I37 HydrophobicContact CG-CD1 4.28Å; F33-V39 HydrophobicContact CD2-CG2 4.11Å; F33-V39 HydrophobicContact CE2-CG2 3.88Å; F33-L61 HydrophobicContact CE2-CD1 4.17Å; F33-L61 HydrophobicContact CZ-CD1 4.26Å; F33-L70 HydrophobicContact CE1-CD1 4.28Å; F33-L70 HydrophobicContact CE2-CD1 4Å; F33-L70 HydrophobicContact CZ-CD1 3.57Å; F33-A75 HydrophobicContact CE1-CB 4.43Å; F33-W90 HydrophobicContact CZ-CZ2 4.43Å | ||
| 34 | N | 28.8 | Very low | 29.8 | Very low | 168 Ų | 168 | 77.1 Ų | 77.1 | 90% | 0.898 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -71.1 | -4.3 | 164 | -111.4 | -22.3 | 0 | 0 | 0 | 112.2 | ||
| 35 | S | 26.6 | Very low | 29.7 | Very low | 56 Ų | 56 | 84 Ų | 84 | 39% | 0.392 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -97.7 | 151.3 | 174.9 | 46.2 | 0 | 0 | 0 | 0 | 109.6 | F33 I37 | F33-S35 PolarHBondContact O-N 3.39Å; S35-I37 PolarHBondContact O-N 3.17Å; S35-I37 WeakPolarHBondContact OG-CD1 3.44Å; S35-I37 WeakPolarHBondContact OG-CG1 3.33Å |
| 36 | W | 27.7 | Very low | 29.7 | Very low | 259 Ų | 259 | 83.8 Ų | 83.8 | 98% | 0.981 | 44% | 0.437 | S | S | * | . | trans | -73.1 | 43 | -178.2 | -62.6 | 30.9 | 0 | 0 | 0 | 111.2 | T38 | W36-T38 PolarHBondContact O-N 3.41Š| ||
| 37 | I | 28.7 | Very low | 29.6 | Very low | 34 Ų | 34 | 88.6 Ų | 88.6 | 17% | 0.174 | 46% | 0.456 | C | S | . | . | trans | -81.1 | 107.1 | 177.9 | -61.7 | 177 | 0 | 0 | 0 | 105.9 | F33 S35 V39 L70 | F33-I37 HydrophobicContact CB-CB 4.4Å; F33-I37 HydrophobicContact CD1-CD1 3.78Å; F33-I37 HydrophobicContact CE1-CD1 4.21Å; F33-I37 HydrophobicContact CG-CB 4.34Å; F33-I37 HydrophobicContact CG-CD1 4.28Å; S35-I37 PolarHBondContact O-N 3.17Å; S35-I37 WeakPolarHBondContact OG-CD1 3.44Å; S35-I37 WeakPolarHBondContact OG-CG1 3.33Å; I37-V39 HydrophobicContact CG2-CG2 4.31Å; I37-V39 PolarHBondContact O-N 3.11Å; I37-L70 HydrophobicContact CG2-CD1 4.31Å; I37-L70 HydrophobicContact CG2-CD2 4.07Å | ||
| 38 | T | 32 | Very low | 29.4 | Very low | 88 Ų | 88 | 90 Ų | 90 | 54% | 0.54 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 119.6 | 164.8 | -49.7 | 0 | 0 | 0 | 0 | 105.8 | W36 A64 | W36-T38 PolarHBondContact O-N 3.41Å; T38-A64 HydrophobicContact CG2-CB 4.27Å; T38-A64 WeakPolarHBondContact O-CB 3.41Å; T38-A64 PolarHBondContact O-N 2.76Å |
| 39 | V | 31.5 | Very low | 29.2 | Very low | 15 Ų | 15 | 91.5 Ų | 91.5 | 9% | 0.091 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 117.8 | 173.2 | 169.3 | 0 | 0 | 0 | 0 | 106.9 | V29 F33 I37 L61 L70 | V29-V39 HydrophobicContact CB-CB 4.48Å; V29-V39 HydrophobicContact CG1-CB 3.71Å; V29-V39 HydrophobicContact CG1-CG2 3.66Å; V29-V39 HydrophobicContact CG2-CB 3.93Å; V29-V39 HydrophobicContact CG2-CG1 4.36Å; V29-V39 HydrophobicContact CG2-CG2 4.49Å; F33-V39 HydrophobicContact CD2-CG2 4.11Å; F33-V39 HydrophobicContact CE2-CG2 3.88Å; I37-V39 HydrophobicContact CG2-CG2 4.31Å; I37-V39 PolarHBondContact O-N 3.11Å; V39-L61 HydrophobicContact CB-CD2 4.38Å; V39-L61 HydrophobicContact CG1-CB 3.95Å; V39-L61 HydrophobicContact CG1-CD2 3.2Å; V39-L61 HydrophobicContact CG1-CG 4.11Å; V39-L61 HydrophobicContact CG2-CD2 4.33Å; V39-L70 HydrophobicContact CG2-CD1 4.3Å |
| 40 | D | 31.5 | Very low | 29 | Very low | 56 Ų | 56 | 99.8 Ų | 99.8 | 30% | 0.299 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 128.3 | 164.1 | -83.6 | -31.9 | 0 | 0 | 0 | 108.6 | V42 F60 V62 | D40-V42 PolarHBondContact O-N 3.31Å; D40-F60 VanDerWaalsContact O-O 3.14Å; D40-V62 HydrophobicContact CB-CG2 3.48Å; D40-V62 VanDerWaalsContact CB-CG2 3.48Å |
| 41 | L | 34.1 | Very low | 29 | Very low | 42 Ų | 42 | 99.2 Ų | 99.2 | 22% | 0.22 | 52% | 0.519 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 100.4 | 175.9 | -163.3 | 91.9 | 0 | 0 | 0 | 108.3 | F59 | L41-F59 HydrophobicContact CD1-CB 3.96Å; L41-F59 HydrophobicContact CD1-CD1 3.41Å; L41-F59 VanDerWaalsContact CD1-CD1 3.41Å; L41-F59 HydrophobicContact CD1-CE1 4.15Å; L41-F59 HydrophobicContact CD1-CG 3.97Å; L41-F59 HydrophobicContact CD2-CD1 3.7Å; L41-F59 HydrophobicContact CD2-CE1 3.8Å; L41-F59 HydrophobicContact CG-CD1 3.7Å; L41-F59 HydrophobicContact CG-CE1 4.32Å |
| 42 | V | 32.2 | Very low | 28.8 | Very low | 35 Ų | 35 | 104.2 Ų | 104.2 | 21% | 0.212 | 53% | 0.533 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 109.9 | 173.5 | -173.5 | 0 | 0 | 0 | 0 | 107.6 | Y19 D40 E44 F60 V62 | Y19-V42 HydrophobicContact CD1-CG1 4.05Å; Y19-V42 HydrophobicContact CE1-CG1 4.41Å; D40-V42 PolarHBondContact O-N 3.31Å; V42-E44 PolarHBondContact O-N 2.91Å; V42-F60 PolarHBondContact N-O 3Å; V42-F60 WeakPolarHBondContact O-CD2 3.37Å; V42-V62 HydrophobicContact CG2-CG1 4.13Å; V42-V62 HydrophobicContact CG2-CG2 4.21Å |
| 43 | A | 33.2 | Very low | 28.3 | Very low | 49 Ų | 49 | 110.3 Ų | 110.3 | 41% | 0.405 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.2 | 97.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | Y22 K45 | Y22-A43 HydrophobicContact CE2-CB 4.32Å; A43-K45 PolarHBondContact O-N 3.07Å |
| 44 | E | 27.9 | Very low | 28 | Very low | 131 Ų | 131 | 120.1 Ų | 120.1 | 61% | 0.612 | 61% | 0.608 | S | S | * | * | trans | -75.8 | 114 | 170.3 | -152.6 | 172.2 | -155.9 | 0 | 0 | 107.4 | V42 P46 F60 | V42-E44 PolarHBondContact O-N 2.91Å; E44-P46 VanDerWaalsContact O-CD 3.25Å; E44-P46 WeakPolarHBondContact O-CD 3.07Å; E44-F60 HydrophobicContact CB-CD2 4.11Å; E44-F60 HydrophobicContact CB-CE2 3.59Å | ||
| 45 | K | 27.3 | Very low | 27.7 | Very low | 189 Ų | 189 | 120.3 Ų | 120.3 | 82% | 0.822 | 60% | 0.603 | S | S | * | * | trans | -74.6 | 114.2 | 167.3 | -160.2 | -178 | -173.8 | -171.3 | 0 | 104.9 | A43 L47 | A43-K45 PolarHBondContact O-N 3.07Å; K45-L47 PolarHBondContact O-N 3.07Å | ||
| 46 | P | 27.9 | Very low | 27.7 | Very low | 116 Ų | 116 | 126.8 Ų | 126.8 | 75% | 0.753 | 62% | 0.621 | S | S | * | * | trans | -59.1 | 118.1 | 168.4 | 23.8 | -29.6 | 0 | 0 | 0 | 106.3 | E44 | E44-P46 VanDerWaalsContact O-CD 3.25Å; E44-P46 WeakPolarHBondContact O-CD 3.07Å | ||
| 47 | L | 25.6 | Very low | 27.8 | Very low | 162 Ų | 162 | 118.3 Ų | 118.3 | 85% | 0.848 | 60% | 0.599 | S | S | * | * | trans | -57.2 | 148.7 | 166.1 | -79 | 154.3 | 0 | 0 | 0 | 107.4 | K45 | K45-L47 PolarHBondContact O-N 3.07Š| ||
| 48 | V | 25.3 | Very low | 27.8 | Very low | 118 Ų | 118 | 119.4 Ų | 119.4 | 72% | 0.715 | 61% | 0.607 | S | S | * | * | S | Bend | trans | 111.4 | 107.4 | 165.9 | -169.7 | 0 | 0 | 0 | 0 | 114.4 | ||
| 49 | D | 25.4 | Very low | 27.9 | Very low | 126 Ų | 126 | 119.8 Ų | 119.8 | 67% | 0.674 | 60% | 0.602 | S | S | * | * | trans | 61.9 | 129.3 | 164 | -75.1 | -30.8 | 0 | 0 | 0 | 119.8 | T51 | D49-T51 PolarHBondContact O-N 3.34Š| ||
| 50 | E | 26.9 | Very low | 27.9 | Very low | 210 Ų | 210 | 121.7 Ų | 121.7 | 98% | 0.981 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | 15.2 | -174.6 | -58.7 | -175.1 | 146.1 | 0 | 0 | 115.2 | ||
| 51 | T | 26.7 | Very low | 28.3 | Very low | 107 Ų | 107 | 120.1 Ų | 120.1 | 66% | 0.656 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | -6.8 | -171.5 | 26.5 | 0 | 0 | 0 | 0 | 115.2 | D49 L53 | D49-T51 PolarHBondContact O-N 3.34Å; T51-L53 PolarHBondContact O-N 3.29Å |
| 52 | Y | 22.4 | Very low | 28.4 | Very low | 201 Ų | 201 | 119.1 Ų | 119.1 | 79% | 0.788 | 60% | 0.596 | S | S | * | * | trans | -95.1 | 109.4 | 177.1 | -66.9 | -78.4 | 0 | 0 | 0 | 112 | ||||
| 53 | L | 22.5 | Very low | 28.8 | Very low | 144 Ų | 144 | 118.7 Ų | 118.7 | 75% | 0.754 | 59% | 0.593 | S | S | * | * | trans | -34.5 | 150.5 | 167 | -77.3 | 137.4 | 0 | 0 | 0 | 113.2 | T51 E55 | T51-L53 PolarHBondContact O-N 3.29Å; L53-E55 PolarHBondContact O-N 3.2Å | ||
| 54 | F | 23.2 | Very low | 29.1 | Very low | 216 Ų | 216 | 118.5 Ų | 118.5 | 95% | 0.947 | 59% | 0.591 | S | S | * | * | trans | -48.9 | 70.2 | 169.7 | -66.6 | -99.4 | 0 | 0 | 0 | 112.9 | ||||
| 55 | E | 23.6 | Very low | 29.7 | Very low | 172 Ų | 172 | 118.3 Ų | 118.3 | 80% | 0.804 | 60% | 0.599 | S | S | * | * | trans | -77.4 | 125.4 | 162.6 | -70.5 | -173.8 | 174.5 | 0 | 0 | 106.2 | L53 | L53-E55 PolarHBondContact O-N 3.2Š| ||
| 56 | Y | 25.8 | Very low | 30.4 | Very low | 193 Ų | 193 | 114.9 Ų | 114.9 | 76% | 0.757 | 59% | 0.589 | S | S | * | * | trans | -25.7 | 137.2 | -172.6 | -60.2 | -91.3 | 0 | 0 | 0 | 114.1 | T58 | Y56-T58 PolarHBondContact O-N 3.06Š| ||
| 57 | P | 29.8 | Very low | 30.9 | Very low | 81 Ų | 81 | 111.9 Ų | 111.9 | 53% | 0.526 | 58% | 0.58 | S | S | . | * | trans | -50.1 | 111 | 173.9 | 21.8 | -32.7 | 0 | 0 | 0 | 109.3 | F59 | P57-F59 HydrophobicContact CB-CD1 4.42Å; P57-F59 HydrophobicContact CB-CE1 3.81Å; P57-F59 HydrophobicContact CB-CE2 4.36Å; P57-F59 HydrophobicContact CB-CZ 3.8Å; P57-F59 HydrophobicContact CG-CE1 3.96Å; P57-F59 HydrophobicContact CG-CE2 3.94Å; P57-F59 HydrophobicContact CG-CZ 3.42Å; P57-F59 VanDerWaalsContact CG-CZ 3.42Å; P57-F59 WeakPolarHBondContact O-CD2 3.47Å; P57-F59 VanDerWaalsContact O-CE2 3.24Å; P57-F59 WeakPolarHBondContact O-CE2 3.48Å; P57-F59 PolarHBondContact O-N 3.27Å | ||
| 58 | T | 28.7 | Very low | 31.5 | Very low | 57 Ų | 57 | 105.5 Ų | 105.5 | 35% | 0.35 | 55% | 0.553 | S | S | . | * | trans | -71.6 | 116 | 175.2 | -57.4 | 0 | 0 | 0 | 0 | 107.1 | Y56 F60 F89 | Y56-T58 PolarHBondContact O-N 3.06Å; T58-F60 HydrophobicContact CG2-CD2 4.43Å; T58-F60 HydrophobicContact CG2-CE1 4.42Å; T58-F60 HydrophobicContact CG2-CE2 3.73Å; T58-F60 HydrophobicContact CG2-CZ 3.73Å; T58-F89 HydrophobicContact CG2-CD1 3.92Å; T58-F89 HydrophobicContact CG2-CE1 3.03Å; T58-F89 HydrophobicContact CG2-CZ 3.54Å | ||
| 59 | F | 33.9 | Very low | 32.4 | Very low | 95 Ų | 95 | 103.1 Ų | 103.1 | 42% | 0.417 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 112.3 | -177.3 | -57 | -68 | 0 | 0 | 0 | 109.6 | L41 P57 | L41-F59 HydrophobicContact CD1-CB 3.96Å; L41-F59 HydrophobicContact CD1-CD1 3.41Å; L41-F59 VanDerWaalsContact CD1-CD1 3.41Å; L41-F59 HydrophobicContact CD1-CE1 4.15Å; L41-F59 HydrophobicContact CD1-CG 3.97Å; L41-F59 HydrophobicContact CD2-CD1 3.7Å; L41-F59 HydrophobicContact CD2-CE1 3.8Å; L41-F59 HydrophobicContact CG-CD1 3.7Å; L41-F59 HydrophobicContact CG-CE1 4.32Å; P57-F59 HydrophobicContact CB-CD1 4.42Å; P57-F59 HydrophobicContact CB-CE1 3.81Å; P57-F59 HydrophobicContact CB-CE2 4.36Å; P57-F59 HydrophobicContact CB-CZ 3.8Å; P57-F59 HydrophobicContact CG-CE1 3.96Å; P57-F59 HydrophobicContact CG-CE2 3.94Å; P57-F59 HydrophobicContact CG-CZ 3.42Å; P57-F59 VanDerWaalsContact CG-CZ 3.42Å; P57-F59 WeakPolarHBondContact O-CD2 3.47Å; P57-F59 VanDerWaalsContact O-CE2 3.24Å; P57-F59 WeakPolarHBondContact O-CE2 3.48Å; P57-F59 PolarHBondContact O-N 3.27Å |
| 60 | F | 32.7 | Very low | 33.2 | Very low | 55 Ų | 55 | 97.6 Ų | 97.6 | 24% | 0.241 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 126.5 | 167.9 | -60.2 | -84.8 | 0 | 0 | 0 | 108.7 | D40 V42 E44 T58 F89 | D40-F60 VanDerWaalsContact O-O 3.14Å; V42-F60 PolarHBondContact N-O 3Å; V42-F60 WeakPolarHBondContact O-CD2 3.37Å; E44-F60 HydrophobicContact CB-CD2 4.11Å; E44-F60 HydrophobicContact CB-CE2 3.59Å; T58-F60 HydrophobicContact CG2-CD2 4.43Å; T58-F60 HydrophobicContact CG2-CE1 4.42Å; T58-F60 HydrophobicContact CG2-CE2 3.73Å; T58-F60 HydrophobicContact CG2-CZ 3.73Å; F60-F89 AromaticContact CE1-CE1 3.82Å; F60-F89 HydrophobicContact CE1-CE1 3.82Å; F60-F89 HydrophobicContact CE1-CZ 4.19Å; F60-F89 HydrophobicContact CZ-CE1 4.05Å; F60-F89 HydrophobicContact CZ-CZ 4.25Å |
| 61 | L | 38.6 | Very low | 34 | Very low | 23 Ų | 23 | 94.4 Ų | 94.4 | 12% | 0.12 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 117.7 | 166.6 | -51.4 | 178.6 | 0 | 0 | 0 | 107.6 | F33 V39 L70 W90 | F33-L61 HydrophobicContact CE2-CD1 4.17Å; F33-L61 HydrophobicContact CZ-CD1 4.26Å; V39-L61 HydrophobicContact CB-CD2 4.38Å; V39-L61 HydrophobicContact CG1-CB 3.95Å; V39-L61 HydrophobicContact CG1-CD2 3.2Å; V39-L61 HydrophobicContact CG1-CG 4.11Å; V39-L61 HydrophobicContact CG2-CD2 4.33Å; L61-L70 HydrophobicContact CB-CB 4.37Å; L61-L70 HydrophobicContact CB-CD1 3.47Å; L61-L70 VanDerWaalsContact CB-CD1 3.47Å; L61-L70 HydrophobicContact CB-CG 4.16Å; L61-L70 HydrophobicContact CD1-CD1 4.03Å; L61-L70 HydrophobicContact CG-CD1 4.42Å; L61-L70 PolarHBondContact O-N 3.19Å; L61-W90 VanDerWaalsContact CD1-CE2 3.41Å; L61-W90 HydrophobicContact CD1-CZ2 3.5Å; L61-W90 VanDerWaalsContact CD1-CZ2 3.5Å |
| 62 | V | 37.9 | Very low | 34.7 | Very low | 21 Ų | 21 | 89.5 Ų | 89.5 | 13% | 0.127 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 146.2 | 171.7 | -58.7 | 0 | 0 | 0 | 0 | 110.4 | D40 V42 A64 G68 | D40-V62 HydrophobicContact CB-CG2 3.48Å; D40-V62 VanDerWaalsContact CB-CG2 3.48Å; V42-V62 HydrophobicContact CG2-CG1 4.13Å; V42-V62 HydrophobicContact CG2-CG2 4.21Å; V62-A64 PolarHBondContact O-N 3.18Å; V62-G68 CarbonylContact C-O 3.5Å; V62-G68 VanDerWaalsContact CA-O 3.27Å; V62-G68 WeakPolarHBondContact CA-O 3.33Å; V62-G68 WeakPolarHBondContact CB-O 3.48Å |
| 63 | N | 39.2 | Very low | 35.7 | Very low | 27 Ų | 27 | 85 Ų | 85 | 14% | 0.144 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 118.9 | 170.3 | 174.9 | 6.8 | 0 | 0 | 0 | 108.9 | T65 D66 G67 G68 L70 | N63-T65 PolarHBondContact ND2-OG1 3.11Å; N63-T65 PolarHBondContact O-N 2.95Å; N63-T65 PolarHBondContact OD1-N 3.47Å; N63-T65 PolarHBondContact OD1-OG1 3.38Å; N63-D66 VanDerWaalsContact CB-OD1 3.23Å; N63-D66 WeakPolarHBondContact CB-OD1 3.46Å; N63-D66 VanDerWaalsContact CG-OD1 3.24Å; N63-D66 PolarHBondContact ND2-OD1 3.32Å; N63-G67 WeakPolarHBondContact O-CA 3.22Å; N63-G67 PolarHBondContact O-N 2.94Å; N63-G68 PolarHBondContact N-O 2.82Å; N63-L70 HydrophobicContact CB-CD2 3.82Å |
| 64 | A | 39.2 | Very low | 36.7 | Very low | 45 Ų | 45 | 81.7 Ų | 81.7 | 37% | 0.372 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -16.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | T38 V62 | T38-A64 HydrophobicContact CG2-CB 4.27Å; T38-A64 WeakPolarHBondContact O-CB 3.41Å; T38-A64 PolarHBondContact O-N 2.76Å; V62-A64 PolarHBondContact O-N 3.18Å |
| 65 | T | 40.3 | Very low | 37.5 | Very low | 126 Ų | 126 | 71.9 Ų | 71.9 | 77% | 0.773 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -35 | -178.6 | 54.7 | 0 | 0 | 0 | 0 | 113.2 | N63 | N63-T65 PolarHBondContact ND2-OG1 3.11Å; N63-T65 PolarHBondContact O-N 2.95Å; N63-T65 PolarHBondContact OD1-N 3.47Å; N63-T65 PolarHBondContact OD1-OG1 3.38Å |
| 66 | D | 42 | Very low | 38.4 | Very low | 117 Ų | 117 | 67.2 Ų | 67.2 | 63% | 0.626 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.7 | -7.5 | -179.7 | 62.7 | 0.9 | 0 | 0 | 0 | 114.1 | N63 G68 | N63-D66 VanDerWaalsContact CB-OD1 3.23Å; N63-D66 WeakPolarHBondContact CB-OD1 3.46Å; N63-D66 VanDerWaalsContact CG-OD1 3.24Å; N63-D66 PolarHBondContact ND2-OD1 3.32Å; D66-G68 PolarHBondContact O-N 2.84Å; D66-G68 PolarHBondContact OD1-N 3.48Å |
| 67 | G | 38.9 | Very low | 39.1 | Very low | 54 Ų | 54 | 63.1 Ų | 63.1 | 56% | 0.557 | 38% | 0.383 | S | S | * | . | trans | 71.7 | 6.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | N63 | N63-G67 WeakPolarHBondContact O-CA 3.22Å; N63-G67 PolarHBondContact O-N 2.94Å | ||
| 68 | G | 37.9 | Very low | 39.7 | Very low | 27 Ų | 27 | 62.7 Ų | 62.7 | 28% | 0.278 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 155.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V62 N63 D66 L70 | V62-G68 CarbonylContact C-O 3.5Å; V62-G68 VanDerWaalsContact CA-O 3.27Å; V62-G68 WeakPolarHBondContact CA-O 3.33Å; V62-G68 WeakPolarHBondContact CB-O 3.48Å; N63-G68 PolarHBondContact N-O 2.82Å; D66-G68 PolarHBondContact O-N 2.84Å; D66-G68 PolarHBondContact OD1-N 3.48Å; G68-L70 PolarHBondContact O-N 2.91Å |
| 69 | A | 44.1 | Very low | 40.2 | Very low | 69 Ų | 69 | 60.3 Ų | 60.3 | 57% | 0.57 | 37% | 0.371 | S | S | * | . | B | Isolated β-bridge | trans | -59.2 | 135.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | K71 | A69-K71 PolarHBondContact O-N 3.3Å |
| 70 | L | 43.1 | Very low | 40.5 | Very low | 9 Ų | 9 | 58.1 Ų | 58.1 | 5% | 0.047 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 130.2 | 172.1 | -74.9 | 176.8 | 0 | 0 | 0 | 109.1 | F33 I37 V39 L61 N63 G68 D74 | F33-L70 HydrophobicContact CE1-CD1 4.28Å; F33-L70 HydrophobicContact CE2-CD1 4Å; F33-L70 HydrophobicContact CZ-CD1 3.57Å; I37-L70 HydrophobicContact CG2-CD1 4.31Å; I37-L70 HydrophobicContact CG2-CD2 4.07Å; V39-L70 HydrophobicContact CG2-CD1 4.3Å; L61-L70 HydrophobicContact CB-CB 4.37Å; L61-L70 HydrophobicContact CB-CD1 3.47Å; L61-L70 VanDerWaalsContact CB-CD1 3.47Å; L61-L70 HydrophobicContact CB-CG 4.16Å; L61-L70 HydrophobicContact CD1-CD1 4.03Å; L61-L70 HydrophobicContact CG-CD1 4.42Å; L61-L70 PolarHBondContact O-N 3.19Å; N63-L70 HydrophobicContact CB-CD2 3.82Å; G68-L70 PolarHBondContact O-N 2.91Å; L70-D74 HydrophobicContact CD2-CB 4.23Å |
| 71 | K | 44.1 | Very low | 41.1 | Very low | 144 Ų | 144 | 62.5 Ų | 62.5 | 63% | 0.626 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -85.3 | 148.9 | 172.2 | -64.2 | 178.4 | -178.5 | 176 | 0 | 108.2 | A69 T73 D74 | A69-K71 PolarHBondContact O-N 3.3Å; K71-T73 PolarHBondContact O-N 3.45Å; K71-D74 PolarHBondContact N-OD2 3.37Å; K71-D74 VanDerWaalsContact N-OD2 3.1Å; K71-D74 WeakPolarHBondContact O-CB 3.44Å; K71-D74 PolarHBondContact O-N 3.24Å |
| 72 | G | 41.7 | Very low | 41.4 | Very low | 4 Ų | 4 | 62.4 Ų | 62.4 | 4% | 0.041 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -51.2 | -32.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D74 A75 F83 | G72-D74 PolarHBondContact O-N 2.83Å; G72-A75 VanDerWaalsContact O-CB 3.28Å; G72-A75 WeakPolarHBondContact O-CB 3.18Å; G72-A75 PolarHBondContact O-N 3.26Å; G72-A75 VanDerWaalsContact O-N 3.11Å; G72-F83 VanDerWaalsContact CA-CD1 3.44Å |
| 73 | T | 42.3 | Very low | 41.6 | Very low | 106 Ų | 106 | 62.2 Ų | 62.2 | 65% | 0.65 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -63.1 | -21.3 | 175.2 | 56.7 | 0 | 0 | 0 | 0 | 115.4 | K71 A75 | K71-T73 PolarHBondContact O-N 3.45Å; T73-A75 VanDerWaalsContact C-N 3.34Å |
| 74 | D | 42.9 | Very low | 41.9 | Very low | 74 Ų | 74 | 64.3 Ų | 64.3 | 40% | 0.396 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -85.5 | -12.2 | 177.7 | -55.6 | -41.4 | 0 | 0 | 0 | 112 | L70 K71 G72 | L70-D74 HydrophobicContact CD2-CB 4.23Å; K71-D74 PolarHBondContact N-OD2 3.37Å; K71-D74 VanDerWaalsContact N-OD2 3.1Å; K71-D74 WeakPolarHBondContact O-CB 3.44Å; K71-D74 PolarHBondContact O-N 3.24Å; G72-D74 PolarHBondContact O-N 2.83Å |
| 75 | A | 41.9 | Very low | 42.2 | Very low | 10 Ų | 10 | 68 Ų | 68 | 8% | 0.083 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -74 | 154.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | F33 G72 T73 V80 W90 | F33-A75 HydrophobicContact CE1-CB 4.43Å; G72-A75 VanDerWaalsContact O-CB 3.28Å; G72-A75 WeakPolarHBondContact O-CB 3.18Å; G72-A75 PolarHBondContact O-N 3.26Å; G72-A75 VanDerWaalsContact O-N 3.11Å; T73-A75 VanDerWaalsContact C-N 3.34Å; A75-V80 HydrophobicContact CB-CG2 4.4Å; A75-W90 HydrophobicContact CB-CH2 3.86Å |
| 76 | N | 41.8 | Very low | 42.6 | Very low | 75 Ų | 75 | 69.5 Ų | 69.5 | 40% | 0.401 | 41% | 0.413 | S | S | . | . | trans | -50.6 | 132.1 | 165 | -179.5 | -19.5 | 0 | 0 | 0 | 109 | A78 M79 V80 | N76-A78 PolarHBondContact O-N 3.18Å; N76-A78 PolarHBondContact OD1-N 3.12Å; N76-A78 VanDerWaalsContact OD1-N 3.14Å; N76-M79 HydrophobicContact CB-CB 4.42Å; N76-M79 HydrophobicContact CB-CG 4.05Å; N76-M79 WeakPolarHBondContact O-CA 3.24Å; N76-M79 WeakPolarHBondContact O-CB 3.48Å; N76-M79 PolarHBondContact O-N 3.13Å; N76-V80 PolarHBondContact O-N 3.48Å | ||
| 77 | P | 40 | Very low | 42.7 | Very low | 106 Ų | 106 | 67 Ų | 67 | 69% | 0.688 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -49 | -35 | 178.9 | -30.1 | 34.5 | 0 | 0 | 0 | 114.3 | M79 V80 | P77-M79 PolarHBondContact O-N 3.24Å; P77-V80 PolarHBondContact O-N 3.25Å |
| 78 | A | 41.9 | Very low | 42.8 | Very low | 73 Ų | 73 | 68.8 Ų | 68.8 | 60% | 0.603 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -67.1 | -14.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | N76 | N76-A78 PolarHBondContact O-N 3.18Å; N76-A78 PolarHBondContact OD1-N 3.12Å; N76-A78 VanDerWaalsContact OD1-N 3.14Å |
| 79 | M | 40 | Very low | 42.9 | Very low | 6 Ų | 6 | 71.5 Ų | 71.5 | 3% | 0.03 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -113 | -9.3 | -176.4 | -56.7 | -68.1 | -80.6 | 0 | 0 | 112.2 | L32 N76 P77 D81 L82 F83 W90 F98 | L32-M79 HydrophobicContact CD2-CE 3.63Å; N76-M79 HydrophobicContact CB-CB 4.42Å; N76-M79 HydrophobicContact CB-CG 4.05Å; N76-M79 WeakPolarHBondContact O-CA 3.24Å; N76-M79 WeakPolarHBondContact O-CB 3.48Å; N76-M79 PolarHBondContact O-N 3.13Å; P77-M79 PolarHBondContact O-N 3.24Å; M79-D81 PolarHBondContact O-N 3.33Å; M79-L82 HydrophobicContact CB-CD1 4.3Å; M79-L82 HydrophobicContact CE-CD1 3.35Å; M79-L82 HydrophobicContact CG-CD1 4.48Å; M79-L82 WeakPolarHBondContact O-CA 3.48Å; M79-L82 VanDerWaalsContact O-CB 3.29Å; M79-L82 WeakPolarHBondContact O-CB 3.04Å; M79-L82 PolarHBondContact O-N 3.1Å; M79-L82 HydrophobicContact SD-CD1 3.38Å; M79-L82 WeakPolarHBondContact SD-CD1 3.46Å; M79-L82 HydrophobicContact SD-CG 4.49Å; M79-F83 PolarHBondContact O-N 3.48Å; M79-W90 HydrophobicContact CB-CZ3 4.11Å; M79-F98 HydrophobicContact CE-CD1 4.48Å; M79-F98 HydrophobicContact CE-CE1 4.47Å; M79-F98 HydrophobicContact SD-CD2 4.16Å; M79-F98 HydrophobicContact SD-CE1 4.48Å; M79-F98 HydrophobicContact SD-CE2 3.95Å; M79-F98 HydrophobicContact SD-CZ 4.12Å |
| 80 | V | 40.6 | Very low | 42.8 | Very low | 49 Ų | 49 | 70.2 Ų | 70.2 | 30% | 0.297 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -56.6 | -38.8 | 176.2 | 175.5 | 0 | 0 | 0 | 0 | 110.1 | A75 N76 P77 L82 F83 | A75-V80 HydrophobicContact CB-CG2 4.4Å; N76-V80 PolarHBondContact O-N 3.48Å; P77-V80 PolarHBondContact O-N 3.25Å; V80-L82 PolarHBondContact O-N 3.11Å; V80-L82 VanDerWaalsContact O-N 3.17Å; V80-F83 PolarHBondContact O-N 3.48Å |
| 81 | D | 45.6 | Very low | 42.8 | Very low | 148 Ų | 148 | 73.5 Ų | 73.5 | 79% | 0.791 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -17.8 | 176.3 | -64.5 | -22.5 | 0 | 0 | 0 | 113.6 | M79 | M79-D81 PolarHBondContact O-N 3.33Š|
| 82 | L | 43.6 | Very low | 42.8 | Very low | 21 Ų | 21 | 71.8 Ų | 71.8 | 11% | 0.11 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -17.1 | 175.8 | -52.6 | 177.6 | 0 | 0 | 0 | 112.3 | M79 V80 W90 N91 A94 | M79-L82 HydrophobicContact CB-CD1 4.3Å; M79-L82 HydrophobicContact CE-CD1 3.35Å; M79-L82 HydrophobicContact CG-CD1 4.48Å; M79-L82 WeakPolarHBondContact O-CA 3.48Å; M79-L82 VanDerWaalsContact O-CB 3.29Å; M79-L82 WeakPolarHBondContact O-CB 3.04Å; M79-L82 PolarHBondContact O-N 3.1Å; M79-L82 HydrophobicContact SD-CD1 3.38Å; M79-L82 WeakPolarHBondContact SD-CD1 3.46Å; M79-L82 HydrophobicContact SD-CG 4.49Å; V80-L82 PolarHBondContact O-N 3.11Å; V80-L82 VanDerWaalsContact O-N 3.17Å; L82-W90 HydrophobicContact CB-CE3 3.97Å; L82-W90 HydrophobicContact CB-CZ3 4.18Å; L82-W90 CarbonylContact O-C 3.58Å; L82-W90 WeakPolarHBondContact O-CA 3.43Å; L82-N91 PolarHBondContact O-N 3.1Å; L82-A94 HydrophobicContact CD2-CB 3.24Å |
| 83 | F | 42 | Very low | 42.8 | Very low | 17 Ų | 17 | 79 Ų | 79 | 8% | 0.075 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 118.3 | -179.7 | -172.6 | -99.3 | 0 | 0 | 0 | 109.6 | G72 M79 V80 E85 N88 W90 | G72-F83 VanDerWaalsContact CA-CD1 3.44Å; M79-F83 PolarHBondContact O-N 3.48Å; V80-F83 PolarHBondContact O-N 3.48Å; F83-E85 HydrophobicContact CD1-CG 4.14Å; F83-E85 HydrophobicContact CE1-CG 4.34Å; F83-E85 PolarHBondContact O-N 3.33Å; F83-N88 HydrophobicContact CZ-CB 4.17Å; F83-W90 HydrophobicContact CB-CD2 4.46Å; F83-W90 HydrophobicContact CB-CE3 4.22Å; F83-W90 HydrophobicContact CB-CH2 4.37Å; F83-W90 HydrophobicContact CB-CZ3 4.17Å; F83-W90 AromaticContact CD2-CD1 4Å; F83-W90 AromaticContact CD2-CD2 3.88Å; F83-W90 HydrophobicContact CD2-CD2 3.88Å; F83-W90 AromaticContact CD2-CE2 3.56Å; F83-W90 HydrophobicContact CD2-CE3 4.46Å; F83-W90 HydrophobicContact CD2-CG 4.16Å; F83-W90 AromaticContact CD2-CZ2 3.94Å; F83-W90 HydrophobicContact CD2-CZ2 3.94Å; F83-W90 AromaticContact CD2-NE1 3.6Å; F83-W90 AromaticContact CE2-NE1 3.83Å |
| 84 | N | 45.9 | Very low | 42.7 | Very low | 70 Ų | 70 | 75 Ų | 75 | 37% | 0.374 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 105.7 | 175.2 | -179.4 | -30.5 | 0 | 0 | 0 | 109.2 | D86 T87 N88 F89 | N84-D86 VanDerWaalsContact C-N 3.29Å; N84-D86 PolarHBondContact O-N 3.42Å; N84-D86 WeakPolarHBondContact OD1-CB 2.99Å; N84-D86 PolarHBondContact OD1-N 3.15Å; N84-T87 WeakPolarHBondContact CB-OG1 3.49Å; N84-T87 VanDerWaalsContact CG-OG1 3.27Å; N84-T87 PolarHBondContact O-N 2.69Å; N84-T87 PolarHBondContact O-OG1 3.26Å; N84-T87 PolarHBondContact OD1-N 3.05Å; N84-T87 PolarHBondContact OD1-OG1 2.99Å; N84-N88 WeakPolarHBondContact O-CA 3.41Å; N84-N88 PolarHBondContact O-N 3.32Å; N84-F89 PolarHBondContact N-O 3.4Å; N84-F89 PolarHBondContact O-N 3.48Å |
| 85 | E | 46.6 | Very low | 42.8 | Very low | 123 Ų | 123 | 72.8 Ų | 72.8 | 58% | 0.575 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -34.1 | 179.6 | -66.4 | -168.2 | 159.9 | 0 | 0 | 113.5 | F83 T87 | F83-E85 HydrophobicContact CD1-CG 4.14Å; F83-E85 HydrophobicContact CE1-CG 4.34Å; F83-E85 PolarHBondContact O-N 3.33Å; E85-T87 PolarHBondContact O-N 2.91Å |
| 86 | D | 47.9 | Very low | 42.7 | Very low | 158 Ų | 158 | 75.2 Ų | 75.2 | 85% | 0.845 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -29.1 | -179.7 | -64.6 | -38 | 0 | 0 | 0 | 111.9 | N84 | N84-D86 VanDerWaalsContact C-N 3.29Å; N84-D86 PolarHBondContact O-N 3.42Å; N84-D86 WeakPolarHBondContact OD1-CB 2.99Å; N84-D86 PolarHBondContact OD1-N 3.15Å |
| 87 | T | 43.9 | Very low | 42.4 | Very low | 63 Ų | 63 | 76.8 Ų | 76.8 | 39% | 0.387 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -10.4 | -176 | 64.6 | 0 | 0 | 0 | 0 | 113.6 | N84 E85 F89 | N84-T87 WeakPolarHBondContact CB-OG1 3.49Å; N84-T87 VanDerWaalsContact CG-OG1 3.27Å; N84-T87 PolarHBondContact O-N 2.69Å; N84-T87 PolarHBondContact O-OG1 3.26Å; N84-T87 PolarHBondContact OD1-N 3.05Å; N84-T87 PolarHBondContact OD1-OG1 2.99Å; E85-T87 PolarHBondContact O-N 2.91Å; T87-F89 WeakPolarHBondContact O-CD2 3.47Å; T87-F89 WeakPolarHBondContact O-CE2 3.26Å; T87-F89 PolarHBondContact O-N 3.11Å; T87-F89 PolarHBondContact OG1-N 3.16Å |
| 88 | N | 41.1 | Very low | 42.2 | Very low | 93 Ų | 93 | 75.4 Ų | 75.4 | 50% | 0.497 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 25.7 | -167 | -71.7 | -44.7 | 0 | 0 | 0 | 114 | F83 N84 | F83-N88 HydrophobicContact CZ-CB 4.17Å; N84-N88 WeakPolarHBondContact O-CA 3.41Å; N84-N88 PolarHBondContact O-N 3.32Å |
| 89 | F | 39.6 | Very low | 42.1 | Very low | 84 Ų | 84 | 73.7 Ų | 73.7 | 37% | 0.368 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 145 | 179.2 | -67.2 | -53.9 | 0 | 0 | 0 | 112.2 | T58 F60 N84 T87 | T58-F89 HydrophobicContact CG2-CD1 3.92Å; T58-F89 HydrophobicContact CG2-CE1 3.03Å; T58-F89 HydrophobicContact CG2-CZ 3.54Å; F60-F89 AromaticContact CE1-CE1 3.82Å; F60-F89 HydrophobicContact CE1-CE1 3.82Å; F60-F89 HydrophobicContact CE1-CZ 4.19Å; F60-F89 HydrophobicContact CZ-CE1 4.05Å; F60-F89 HydrophobicContact CZ-CZ 4.25Å; N84-F89 PolarHBondContact N-O 3.4Å; N84-F89 PolarHBondContact O-N 3.48Å; T87-F89 WeakPolarHBondContact O-CD2 3.47Å; T87-F89 WeakPolarHBondContact O-CE2 3.26Å; T87-F89 PolarHBondContact O-N 3.11Å; T87-F89 PolarHBondContact OG1-N 3.16Å |
| 90 | W | 42.2 | Very low | 41.7 | Very low | 41 Ų | 41 | 79.1 Ų | 79.1 | 16% | 0.155 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 130.1 | 167.6 | -63.8 | 83.8 | 0 | 0 | 0 | 109.2 | F33 L61 A75 M79 L82 F83 L92 | F33-W90 HydrophobicContact CZ-CZ2 4.43Å; L61-W90 VanDerWaalsContact CD1-CE2 3.41Å; L61-W90 HydrophobicContact CD1-CZ2 3.5Å; L61-W90 VanDerWaalsContact CD1-CZ2 3.5Å; A75-W90 HydrophobicContact CB-CH2 3.86Å; M79-W90 HydrophobicContact CB-CZ3 4.11Å; L82-W90 HydrophobicContact CB-CE3 3.97Å; L82-W90 HydrophobicContact CB-CZ3 4.18Å; L82-W90 CarbonylContact O-C 3.58Å; L82-W90 WeakPolarHBondContact O-CA 3.43Å; F83-W90 HydrophobicContact CB-CD2 4.46Å; F83-W90 HydrophobicContact CB-CE3 4.22Å; F83-W90 HydrophobicContact CB-CH2 4.37Å; F83-W90 HydrophobicContact CB-CZ3 4.17Å; F83-W90 AromaticContact CD2-CD1 4Å; F83-W90 AromaticContact CD2-CD2 3.88Å; F83-W90 HydrophobicContact CD2-CD2 3.88Å; F83-W90 AromaticContact CD2-CE2 3.56Å; F83-W90 HydrophobicContact CD2-CE3 4.46Å; F83-W90 HydrophobicContact CD2-CG 4.16Å; F83-W90 AromaticContact CD2-CZ2 3.94Å; F83-W90 HydrophobicContact CD2-CZ2 3.94Å; F83-W90 AromaticContact CD2-NE1 3.6Å; F83-W90 AromaticContact CE2-NE1 3.83Å; W90-L92 PolarHBondContact O-N 3.47Å |
| 91 | N | 44.1 | Very low | 41.1 | Very low | 78 Ų | 78 | 80.4 Ų | 80.4 | 42% | 0.417 | 42% | 0.419 | S | S | . | . | trans | -67.4 | 103.1 | 171.9 | -175.6 | -19.8 | 0 | 0 | 0 | 109.1 | L82 E93 A94 L95 | L82-N91 PolarHBondContact O-N 3.1Å; N91-E93 PolarHBondContact O-N 2.84Å; N91-E93 WeakPolarHBondContact OD1-CB 3.4Å; N91-E93 PolarHBondContact OD1-N 2.88Å; N91-A94 HydrophobicContact CB-CB 3.92Å; N91-A94 PolarHBondContact O-N 3.02Å; N91-A94 VanDerWaalsContact O-N 3.16Å; N91-A94 PolarHBondContact OD1-N 3.4Å; N91-L95 PolarHBondContact O-N 3.37Å | ||
| 92 | L | 43.8 | Very low | 40.2 | Very low | 109 Ų | 109 | 74.5 Ų | 74.5 | 57% | 0.571 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -61.5 | -30.2 | -179.2 | -70 | 173.2 | 0 | 0 | 0 | 112.9 | W90 L95 S96 | W90-L92 PolarHBondContact O-N 3.47Å; L92-L95 HydrophobicContact CD2-CD2 4.27Å; L92-L95 PolarHBondContact O-N 2.67Å; L92-S96 PolarHBondContact O-N 3.46Å |
| 93 | E | 41.9 | Very low | 39.5 | Very low | 154 Ų | 154 | 79.5 Ų | 79.5 | 72% | 0.72 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -71.1 | -39.1 | 176.7 | -166.9 | 175.4 | -165.2 | 0 | 0 | 110.9 | N91 S96 L97 | N91-E93 PolarHBondContact O-N 2.84Å; N91-E93 WeakPolarHBondContact OD1-CB 3.4Å; N91-E93 PolarHBondContact OD1-N 2.88Å; E93-S96 PolarHBondContact O-N 3.2Å; E93-S96 PolarHBondContact O-OG 3.15Å; E93-L97 PolarHBondContact O-N 3.22Å; E93-L97 VanDerWaalsContact O-N 3.1Å |
| 94 | A | 40.1 | Very low | 38.7 | Very low | 24 Ų | 24 | 86.1 Ų | 86.1 | 20% | 0.198 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -71.4 | -33.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L82 N91 L97 F98 | L82-A94 HydrophobicContact CD2-CB 3.24Å; N91-A94 HydrophobicContact CB-CB 3.92Å; N91-A94 PolarHBondContact O-N 3.02Å; N91-A94 VanDerWaalsContact O-N 3.16Å; N91-A94 PolarHBondContact OD1-N 3.4Å; A94-L97 PolarHBondContact O-N 3.15Å; A94-F98 PolarHBondContact O-N 3Å |
| 95 | L | 44 | Very low | 37.8 | Very low | 27 Ų | 27 | 86.1 Ų | 86.1 | 14% | 0.141 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 172.4 | -169.3 | 77.6 | 0 | 0 | 0 | 112.1 | F28 N91 L92 L97 F98 V99 | F28-L95 HydrophobicContact CE1-CD1 4.46Å; F28-L95 HydrophobicContact CE1-CD2 3.89Å; F28-L95 HydrophobicContact CZ-CD2 3.87Å; F28-L95 HydrophobicContact CZ-CG 4.38Å; N91-L95 PolarHBondContact O-N 3.37Å; L92-L95 HydrophobicContact CD2-CD2 4.27Å; L92-L95 PolarHBondContact O-N 2.67Å; L95-L97 VanDerWaalsContact C-N 3.34Å; L95-F98 WeakPolarHBondContact O-CB 3.4Å; L95-F98 PolarHBondContact O-N 2.8Å; L95-V99 WeakPolarHBondContact O-CG2 3.47Å; L95-V99 PolarHBondContact O-N 3.49Å; L95-V99 VanDerWaalsContact O-N 3.11Å |
| 96 | S | 40.2 | Very low | 36.9 | Very low | 61 Ų | 61 | 86.4 Ų | 86.4 | 43% | 0.427 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.5 | -39.2 | 176 | 73.4 | 0 | 0 | 0 | 0 | 111.3 | L92 E93 F98 V99 E100 | L92-S96 PolarHBondContact O-N 3.46Å; E93-S96 PolarHBondContact O-N 3.2Å; E93-S96 PolarHBondContact O-OG 3.15Å; S96-F98 VanDerWaalsContact C-N 3.35Å; S96-F98 PolarHBondContact O-N 2.92Å; S96-V99 WeakPolarHBondContact O-CB 3.36Å; S96-V99 PolarHBondContact O-N 3.44Å; S96-V99 VanDerWaalsContact O-N 3.16Å; S96-E100 PolarHBondContact O-N 2.66Å |
| 97 | L | 34.8 | Very low | 35.8 | Very low | 107 Ų | 107 | 81.7 Ų | 81.7 | 56% | 0.56 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -64.4 | -37.2 | 175.2 | -151.5 | 86.8 | 0 | 0 | 0 | 112.3 | E93 A94 L95 V99 E100 T101 | E93-L97 PolarHBondContact O-N 3.22Å; E93-L97 VanDerWaalsContact O-N 3.1Å; A94-L97 PolarHBondContact O-N 3.15Å; L95-L97 VanDerWaalsContact C-N 3.34Å; L97-V99 VanDerWaalsContact C-N 3.33Å; L97-E100 PolarHBondContact O-N 2.92Å; L97-T101 WeakPolarHBondContact O-CG2 3.5Å; L97-T101 PolarHBondContact O-N 2.91Å; L97-T101 PolarHBondContact O-OG1 3.34Å |
| 98 | F | 37.4 | Very low | 34.9 | Very low | 77 Ų | 77 | 85.8 Ų | 85.8 | 34% | 0.338 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 172.5 | -175.6 | -96.9 | 0 | 0 | 0 | 111.7 | I31 M79 A94 L95 S96 E100 T101 S102 | I31-F98 HydrophobicContact CG2-CE1 4.1Å; M79-F98 HydrophobicContact CE-CD1 4.48Å; M79-F98 HydrophobicContact CE-CE1 4.47Å; M79-F98 HydrophobicContact SD-CD2 4.16Å; M79-F98 HydrophobicContact SD-CE1 4.48Å; M79-F98 HydrophobicContact SD-CE2 3.95Å; M79-F98 HydrophobicContact SD-CZ 4.12Å; A94-F98 PolarHBondContact O-N 3Å; L95-F98 WeakPolarHBondContact O-CB 3.4Å; L95-F98 PolarHBondContact O-N 2.8Å; S96-F98 VanDerWaalsContact C-N 3.35Å; S96-F98 PolarHBondContact O-N 2.92Å; F98-E100 VanDerWaalsContact C-N 3.34Å; F98-E100 PolarHBondContact O-N 3.14Å; F98-T101 WeakPolarHBondContact CA-OG1 3.24Å; F98-T101 PolarHBondContact O-OG1 2.94Å; F98-S102 VanDerWaalsContact O-CB 3.26Å; F98-S102 WeakPolarHBondContact O-CB 3.16Å; F98-S102 PolarHBondContact O-N 3.42Å; F98-S102 PolarHBondContact O-OG 3.45Å |
| 99 | V | 38.1 | Very low | 34.1 | Very low | 37 Ų | 37 | 88.3 Ų | 88.3 | 22% | 0.224 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -65.8 | -35.5 | 175 | 173.2 | 0 | 0 | 0 | 0 | 111.9 | L95 S96 L97 S102 F114 | L95-V99 WeakPolarHBondContact O-CG2 3.47Å; L95-V99 PolarHBondContact O-N 3.49Å; L95-V99 VanDerWaalsContact O-N 3.11Å; S96-V99 WeakPolarHBondContact O-CB 3.36Å; S96-V99 PolarHBondContact O-N 3.44Å; S96-V99 VanDerWaalsContact O-N 3.16Å; L97-V99 VanDerWaalsContact C-N 3.33Å; V99-S102 WeakPolarHBondContact CA-OG 3.36Å; V99-S102 PolarHBondContact O-OG 3.04Å; V99-F114 HydrophobicContact CG1-CZ 3.81Å |
| 100 | E | 32 | Very low | 33.5 | Very low | 120 Ų | 120 | 86.6 Ų | 86.6 | 56% | 0.561 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -75 | -42.4 | 177.6 | -71.8 | -167.1 | 161 | 0 | 0 | 113.2 | S96 L97 F98 S102 K103 | S96-E100 PolarHBondContact O-N 2.66Å; L97-E100 PolarHBondContact O-N 2.92Å; F98-E100 VanDerWaalsContact C-N 3.34Å; F98-E100 PolarHBondContact O-N 3.14Å; E100-S102 VanDerWaalsContact C-N 3.33Å; E100-S102 PolarHBondContact O-N 3.41Å; E100-K103 WeakPolarHBondContact O-CB 3.25Å; E100-K103 PolarHBondContact O-N 3.08Å |
| 101 | T | 28.6 | Very low | 32.6 | Very low | 76 Ų | 76 | 92 Ų | 92 | 47% | 0.466 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.6 | -33.7 | 178.2 | 45.7 | 0 | 0 | 0 | 0 | 112.5 | L97 F98 K103 L104 | L97-T101 WeakPolarHBondContact O-CG2 3.5Å; L97-T101 PolarHBondContact O-N 2.91Å; L97-T101 PolarHBondContact O-OG1 3.34Å; F98-T101 WeakPolarHBondContact CA-OG1 3.24Å; F98-T101 PolarHBondContact O-OG1 2.94Å; T101-K103 VanDerWaalsContact C-N 3.31Å; T101-K103 PolarHBondContact O-N 2.98Å; T101-L104 WeakPolarHBondContact O-CB 3.38Å; T101-L104 PolarHBondContact O-N 3.27Å; T101-L104 VanDerWaalsContact O-N 3.11Å |
| 102 | S | 27.5 | Very low | 31.7 | Very low | 25 Ų | 25 | 93.2 Ų | 93.2 | 18% | 0.175 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -71.6 | -22.7 | 177.5 | 56.9 | 0 | 0 | 0 | 0 | 113.2 | F98 V99 E100 L104 A105 M110 | F98-S102 VanDerWaalsContact O-CB 3.26Å; F98-S102 WeakPolarHBondContact O-CB 3.16Å; F98-S102 PolarHBondContact O-N 3.42Å; F98-S102 PolarHBondContact O-OG 3.45Å; V99-S102 WeakPolarHBondContact CA-OG 3.36Å; V99-S102 PolarHBondContact O-OG 3.04Å; E100-S102 VanDerWaalsContact C-N 3.33Å; E100-S102 PolarHBondContact O-N 3.41Å; S102-L104 PolarHBondContact O-N 3.21Å; S102-A105 PolarHBondContact O-N 3.16Å; S102-M110 WeakPolarHBondContact O-CE 3.43Å; S102-M110 WeakPolarHBondContact OG-CE 3.44Å |
| 103 | K | 26.9 | Very low | 30.9 | Very low | 126 Ų | 126 | 94.2 Ų | 94.2 | 55% | 0.548 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.5 | -27.4 | 168 | -71.3 | 173.9 | -176.9 | 170.3 | 0 | 113 | E100 T101 | E100-K103 WeakPolarHBondContact O-CB 3.25Å; E100-K103 PolarHBondContact O-N 3.08Å; T101-K103 VanDerWaalsContact C-N 3.31Å; T101-K103 PolarHBondContact O-N 2.98Å |
| 104 | L | 26.7 | Very low | 30.2 | Very low | 156 Ų | 156 | 89.9 Ų | 89.9 | 82% | 0.817 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -83.6 | -23.7 | -179.8 | -83.4 | 142.1 | 0 | 0 | 0 | 112.8 | T101 S102 | T101-L104 WeakPolarHBondContact O-CB 3.38Å; T101-L104 PolarHBondContact O-N 3.27Å; T101-L104 VanDerWaalsContact O-N 3.11Å; S102-L104 PolarHBondContact O-N 3.21Å |
| 105 | A | 27.4 | Very low | 29.5 | Very low | 70 Ų | 70 | 92.8 Ų | 92.8 | 58% | 0.579 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -80.3 | -35.5 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S102 | S102-A105 PolarHBondContact O-N 3.16Å |
| 106 | D | 26 | Very low | 28.7 | Very low | 129 Ų | 129 | 96.8 Ų | 96.8 | 69% | 0.69 | 53% | 0.525 | S | S | * | . | trans | -153.5 | 87.8 | 178.4 | -83.2 | -49.4 | 0 | 0 | 0 | 111.9 | I108 M109 | D106-I108 PolarHBondContact O-N 3.47Å; D106-M109 PolarHBondContact O-N 2.93Å | ||
| 107 | G | 25.4 | Very low | 28.1 | Very low | 58 Ų | 58 | 96.2 Ų | 96.2 | 60% | 0.598 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | 14.6 | -167.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||
| 108 | I | 24.7 | Very low | 27.8 | Very low | 149 Ų | 149 | 96 Ų | 96 | 76% | 0.764 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.5 | -32.1 | 179.2 | -61.3 | 178.1 | 0 | 0 | 0 | 112.5 | D106 | D106-I108 PolarHBondContact O-N 3.47Š|
| 109 | M | 25.6 | Very low | 27.3 | Very low | 146 Ų | 146 | 96.1 Ų | 96.1 | 72% | 0.719 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -72.3 | -45 | -178.3 | -118 | -176.2 | -152.2 | 0 | 0 | 111.3 | D106 Y113 | D106-M109 PolarHBondContact O-N 2.93Å; M109-Y113 WeakPolarHBondContact O-CD2 3.29Å |
| 110 | M | 25.4 | Very low | 26.8 | Very low | 49 Ų | 49 | 98.1 Ų | 98.1 | 24% | 0.241 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -82.1 | -24.7 | -169.7 | -91.5 | -153 | -77 | 0 | 0 | 117 | S102 T112 Y113 F114 | S102-M110 WeakPolarHBondContact O-CE 3.43Å; S102-M110 WeakPolarHBondContact OG-CE 3.44Å; M110-T112 VanDerWaalsContact C-N 3.31Å; M110-T112 PolarHBondContact O-N 3.27Å; M110-Y113 PolarHBondContact O-N 2.82Å; M110-Y113 VanDerWaalsContact O-N 3.17Å; M110-F114 HydrophobicContact CB-CD2 4.48Å; M110-F114 PolarHBondContact O-N 3.3Å; M110-F114 HydrophobicContact SD-CD2 4.45Å; M110-F114 HydrophobicContact SD-CE2 4.03Å |
| 111 | Q | 23.8 | Very low | 26.6 | Very low | 154 Ų | 154 | 96.5 Ų | 96.5 | 72% | 0.72 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.1 | -40.3 | 178.1 | -94.9 | -170.9 | -9.2 | 0 | 0 | 111.9 | Y113 F114 S115 | Q111-Y113 VanDerWaalsContact C-N 3.29Å; Q111-Y113 PolarHBondContact O-N 3.31Å; Q111-F114 PolarHBondContact O-N 3.02Å; Q111-S115 PolarHBondContact O-N 3Å; Q111-S115 VanDerWaalsContact O-N 3.11Å; Q111-S115 PolarHBondContact O-OG 3.34Å |
| 112 | T | 24.8 | Very low | 26.5 | Very low | 104 Ų | 104 | 100.2 Ų | 100.2 | 64% | 0.638 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.3 | -35.3 | 176.9 | -39.7 | 0 | 0 | 0 | 0 | 111.6 | M110 | M110-T112 VanDerWaalsContact C-N 3.31Å; M110-T112 PolarHBondContact O-N 3.27Å |
| 113 | Y | 27 | Very low | 26.4 | Very low | 129 Ų | 129 | 101.5 Ų | 101.5 | 51% | 0.506 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -73.8 | -37.1 | 175.9 | -73.2 | -73 | 0 | 0 | 0 | 112.8 | M109 M110 Q111 L116 Q117 | M109-Y113 WeakPolarHBondContact O-CD2 3.29Å; M110-Y113 PolarHBondContact O-N 2.82Å; M110-Y113 VanDerWaalsContact O-N 3.17Å; Q111-Y113 VanDerWaalsContact C-N 3.29Å; Q111-Y113 PolarHBondContact O-N 3.31Å; Y113-L116 WeakPolarHBondContact O-CB 3.33Å; Y113-L116 PolarHBondContact O-N 3.37Å; Y113-Q117 WeakPolarHBondContact O-CG 3.13Å; Y113-Q117 PolarHBondContact O-N 3.36Å |
| 114 | F | 27.9 | Very low | 26.5 | Very low | 63 Ų | 63 | 99.3 Ų | 99.3 | 28% | 0.276 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -72.5 | -37.9 | -178.6 | -101 | -84.2 | 0 | 0 | 0 | 113.5 | V99 M110 Q111 L116 Q117 I118 | V99-F114 HydrophobicContact CG1-CZ 3.81Å; M110-F114 HydrophobicContact CB-CD2 4.48Å; M110-F114 PolarHBondContact O-N 3.3Å; M110-F114 HydrophobicContact SD-CD2 4.45Å; M110-F114 HydrophobicContact SD-CE2 4.03Å; Q111-F114 PolarHBondContact O-N 3.02Å; F114-L116 PolarHBondContact O-N 3.03Å; F114-Q117 PolarHBondContact O-N 2.84Å; F114-I118 PolarHBondContact O-N 2.76Å |
| 115 | S | 25.5 | Very low | 26.6 | Very low | 86 Ų | 86 | 94.8 Ų | 94.8 | 60% | 0.601 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63 | -30.6 | 172.1 | -65.6 | 0 | 0 | 0 | 0 | 112 | Q111 S119 | Q111-S115 PolarHBondContact O-N 3Å; Q111-S115 VanDerWaalsContact O-N 3.11Å; Q111-S115 PolarHBondContact O-OG 3.34Å; S115-S119 PolarHBondContact O-OG 3.3Å |
| 116 | L | 26.9 | Very low | 26.4 | Very low | 111 Ų | 111 | 93.5 Ų | 93.5 | 58% | 0.581 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -69.9 | -35.6 | 172.1 | -148.5 | 83.3 | 0 | 0 | 0 | 112 | Y113 F114 L120 | Y113-L116 WeakPolarHBondContact O-CB 3.33Å; Y113-L116 PolarHBondContact O-N 3.37Å; F114-L116 PolarHBondContact O-N 3.03Å; L116-L120 HydrophobicContact CD2-CD1 4.48Å; L116-L120 HydrophobicContact CG-CD1 4.42Å; L116-L120 WeakPolarHBondContact O-CD1 3.37Å; L116-L120 WeakPolarHBondContact O-CG 3.13Å; L116-L120 PolarHBondContact O-N 2.93Å |
| 117 | Q | 28.4 | Very low | 26.5 | Very low | 48 Ų | 48 | 92.1 Ų | 92.1 | 22% | 0.224 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -70.5 | -46.4 | -177.1 | -81 | -171.9 | -12 | 0 | 0 | 114.1 | Y113 F114 S119 L120 S121 | Y113-Q117 WeakPolarHBondContact O-CG 3.13Å; Y113-Q117 PolarHBondContact O-N 3.36Å; F114-Q117 PolarHBondContact O-N 2.84Å; Q117-S119 VanDerWaalsContact C-N 3.26Å; Q117-S119 PolarHBondContact O-N 2.89Å; Q117-L120 PolarHBondContact O-N 3.48Å; Q117-S121 PolarHBondContact O-N 3.33Å; Q117-S121 PolarHBondContact O-OG 3.32Å |
| 118 | I | 28.7 | Very low | 26.5 | Very low | 103 Ų | 103 | 92.1 Ų | 92.1 | 53% | 0.528 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.8 | -38.3 | 177.4 | -63.8 | 175.8 | 0 | 0 | 0 | 109.9 | F114 L120 S121 F122 | F114-I118 PolarHBondContact O-N 2.76Å; I118-L120 VanDerWaalsContact C-N 3.29Å; I118-L120 PolarHBondContact O-N 2.93Å; I118-S121 PolarHBondContact O-N 3.17Å; I118-F122 HydrophobicContact CG2-CD2 3.87Å; I118-F122 HydrophobicContact CG2-CE2 3.79Å; I118-F122 WeakPolarHBondContact O-CD2 3.42Å; I118-F122 PolarHBondContact O-N 2.8Å; I118-F122 VanDerWaalsContact O-N 3.14Å |
| 119 | S | 25.2 | Very low | 26.6 | Very low | 79 Ų | 79 | 89.2 Ų | 89.2 | 55% | 0.552 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.2 | -37.7 | 176.1 | -56.2 | 0 | 0 | 0 | 0 | 112.2 | S115 Q117 A123 | S115-S119 PolarHBondContact O-OG 3.3Å; Q117-S119 VanDerWaalsContact C-N 3.26Å; Q117-S119 PolarHBondContact O-N 2.89Å; S119-A123 WeakPolarHBondContact O-CB 3.41Å; S119-A123 PolarHBondContact O-N 3.31Å |
| 120 | L | 27.7 | Very low | 26.6 | Very low | 80 Ų | 80 | 90.3 Ų | 90.3 | 42% | 0.419 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -71.3 | -40.5 | 175.3 | -80.7 | 158.3 | 0 | 0 | 0 | 112 | L116 Q117 I118 F122 A123 F124 | L116-L120 HydrophobicContact CD2-CD1 4.48Å; L116-L120 HydrophobicContact CG-CD1 4.42Å; L116-L120 WeakPolarHBondContact O-CD1 3.37Å; L116-L120 WeakPolarHBondContact O-CG 3.13Å; L116-L120 PolarHBondContact O-N 2.93Å; Q117-L120 PolarHBondContact O-N 3.48Å; I118-L120 VanDerWaalsContact C-N 3.29Å; I118-L120 PolarHBondContact O-N 2.93Å; L120-F122 VanDerWaalsContact C-N 3.26Å; L120-F122 PolarHBondContact O-N 3.15Å; L120-A123 PolarHBondContact O-N 3.2Å; L120-A123 VanDerWaalsContact O-N 3.13Å; L120-F124 HydrophobicContact CB-CD2 4.41Å; L120-F124 HydrophobicContact CD2-CD2 4.36Å; L120-F124 HydrophobicContact CD2-CE2 3.92Å; L120-F124 WeakPolarHBondContact O-CB 3.07Å; L120-F124 VanDerWaalsContact O-CD2 3.22Å; L120-F124 WeakPolarHBondContact O-CD2 3.47Å; L120-F124 PolarHBondContact O-N 3.14Å |
| 121 | S | 29.3 | Very low | 26.6 | Very low | 86 Ų | 86 | 95.3 Ų | 95.3 | 60% | 0.601 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.5 | -37 | 174.7 | -60 | 0 | 0 | 0 | 0 | 112.6 | Q117 I118 S125 | Q117-S121 PolarHBondContact O-N 3.33Å; Q117-S121 PolarHBondContact O-OG 3.32Å; I118-S121 PolarHBondContact O-N 3.17Å; S121-S125 PolarHBondContact O-N 3.03Å; S121-S125 VanDerWaalsContact O-N 3.11Å |
| 122 | F | 25.3 | Very low | 26.8 | Very low | 154 Ų | 154 | 93.5 Ų | 93.5 | 68% | 0.675 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -77.5 | -33 | 173.5 | -78.1 | -76.2 | 0 | 0 | 0 | 113.6 | I118 L120 F124 S125 | I118-F122 HydrophobicContact CG2-CD2 3.87Å; I118-F122 HydrophobicContact CG2-CE2 3.79Å; I118-F122 WeakPolarHBondContact O-CD2 3.42Å; I118-F122 PolarHBondContact O-N 2.8Å; I118-F122 VanDerWaalsContact O-N 3.14Å; L120-F122 VanDerWaalsContact C-N 3.26Å; L120-F122 PolarHBondContact O-N 3.15Å; F122-F124 VanDerWaalsContact C-N 3.33Å; F122-S125 PolarHBondContact O-N 2.97Å; F122-S125 PolarHBondContact O-OG 2.73Å |
| 123 | A | 25.5 | Very low | 26.8 | Very low | 52 Ų | 52 | 92.1 Ų | 92.1 | 43% | 0.43 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.5 | -37.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S119 L120 G126 I127 | S119-A123 WeakPolarHBondContact O-CB 3.41Å; S119-A123 PolarHBondContact O-N 3.31Å; L120-A123 PolarHBondContact O-N 3.2Å; L120-A123 VanDerWaalsContact O-N 3.13Å; A123-G126 PolarHBondContact O-N 2.78Å; A123-I127 PolarHBondContact O-N 3.3Å |
| 124 | F | 28.7 | Very low | 26.7 | Very low | 80 Ų | 80 | 87.7 Ų | 87.7 | 35% | 0.351 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -74.2 | -27.6 | 176.2 | -83.7 | -75.1 | 0 | 0 | 0 | 113 | L120 F122 G126 I127 C128 | L120-F124 HydrophobicContact CB-CD2 4.41Å; L120-F124 HydrophobicContact CD2-CD2 4.36Å; L120-F124 HydrophobicContact CD2-CE2 3.92Å; L120-F124 WeakPolarHBondContact O-CB 3.07Å; L120-F124 VanDerWaalsContact O-CD2 3.22Å; L120-F124 WeakPolarHBondContact O-CD2 3.47Å; L120-F124 PolarHBondContact O-N 3.14Å; F122-F124 VanDerWaalsContact C-N 3.33Å; F124-G126 VanDerWaalsContact C-N 3.26Å; F124-G126 PolarHBondContact O-N 3.22Å; F124-I127 PolarHBondContact O-N 3.38Å; F124-C128 WeakPolarHBondContact O-CB 3.42Å; F124-C128 PolarHBondContact O-N 3.45Å; F124-C128 PolarHBondContact O-SG 3Å |
| 125 | S | 29.1 | Very low | 26.6 | Very low | 61 Ų | 61 | 88 Ų | 88 | 43% | 0.427 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.1 | -38.4 | 171.2 | 75.6 | 0 | 0 | 0 | 0 | 111.2 | S121 F122 V129 | S121-S125 PolarHBondContact O-N 3.03Å; S121-S125 VanDerWaalsContact O-N 3.11Å; F122-S125 PolarHBondContact O-N 2.97Å; F122-S125 PolarHBondContact O-OG 2.73Å; S125-V129 WeakPolarHBondContact O-CB 3.36Å; S125-V129 WeakPolarHBondContact O-CG2 3.28Å; S125-V129 PolarHBondContact O-N 3.22Å |
| 126 | G | 23.3 | Very low | 26.6 | Very low | 42 Ų | 42 | 90.7 Ų | 90.7 | 43% | 0.433 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.7 | -37.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | A123 F124 K130 | A123-G126 PolarHBondContact O-N 2.78Å; F124-G126 VanDerWaalsContact C-N 3.26Å; F124-G126 PolarHBondContact O-N 3.22Å; G126-K130 PolarHBondContact O-N 3.4Å |
| 127 | I | 27.5 | Very low | 26.5 | Very low | 101 Ų | 101 | 89.8 Ų | 89.8 | 52% | 0.518 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -76.5 | -40.6 | 179.4 | -64.8 | 171.1 | 0 | 0 | 0 | 111.2 | A123 F124 K130 Y131 | A123-I127 PolarHBondContact O-N 3.3Å; F124-I127 PolarHBondContact O-N 3.38Å; I127-K130 PolarHBondContact O-N 3.41Å; I127-Y131 PolarHBondContact O-N 3.24Å |
| 128 | C | 26.5 | Very low | 26.4 | Very low | 57 Ų | 57 | 92.4 Ų | 92.4 | 39% | 0.385 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.9 | -39 | 174.1 | -73.1 | 0 | 0 | 0 | 0 | 111.3 | F124 K130 Y131 I132 | F124-C128 WeakPolarHBondContact O-CB 3.42Å; F124-C128 PolarHBondContact O-N 3.45Å; F124-C128 PolarHBondContact O-SG 3Å; C128-K130 PolarHBondContact O-N 3.46Å; C128-Y131 PolarHBondContact O-N 3.21Å; C128-I132 WeakPolarHBondContact O-CB 3.27Å; C128-I132 VanDerWaalsContact O-CG1 3.24Å; C128-I132 WeakPolarHBondContact O-CG1 3.35Å; C128-I132 PolarHBondContact O-N 2.91Å |
| 129 | V | 25.9 | Very low | 26.2 | Very low | 89 Ų | 89 | 92.7 Ų | 92.7 | 54% | 0.539 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 174 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | S125 Y131 I132 T133 | S125-V129 WeakPolarHBondContact O-CB 3.36Å; S125-V129 WeakPolarHBondContact O-CG2 3.28Å; S125-V129 PolarHBondContact O-N 3.22Å; V129-Y131 VanDerWaalsContact C-N 3.34Å; V129-Y131 PolarHBondContact O-N 3.3Å; V129-I132 PolarHBondContact O-N 2.78Å; V129-T133 WeakPolarHBondContact O-CB 3.4Å; V129-T133 PolarHBondContact O-N 3.03Å; V129-T133 PolarHBondContact O-OG1 3.37Å |
| 130 | K | 25.3 | Very low | 26.2 | Very low | 169 Ų | 169 | 95.2 Ų | 95.2 | 74% | 0.735 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.1 | -40.9 | 173 | -83.1 | -175.3 | 176.6 | 179.3 | 0 | 112.2 | G126 I127 C128 T133 G134 | G126-K130 PolarHBondContact O-N 3.4Å; I127-K130 PolarHBondContact O-N 3.41Å; C128-K130 PolarHBondContact O-N 3.46Å; K130-T133 PolarHBondContact O-N 3.34Å; K130-G134 PolarHBondContact O-N 3.37Å |
| 131 | Y | 26.9 | Very low | 26.1 | Very low | 153 Ų | 153 | 99.6 Ų | 99.6 | 60% | 0.6 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.8 | -41.4 | 179.1 | -137.8 | -93.5 | 0 | 0 | 0 | 112 | I127 C128 V129 T133 G134 L135 | I127-Y131 PolarHBondContact O-N 3.24Å; C128-Y131 PolarHBondContact O-N 3.21Å; V129-Y131 VanDerWaalsContact C-N 3.34Å; V129-Y131 PolarHBondContact O-N 3.3Å; Y131-T133 VanDerWaalsContact C-N 3.34Å; Y131-T133 PolarHBondContact O-N 3.19Å; Y131-G134 PolarHBondContact O-N 2.97Å; Y131-L135 HydrophobicContact CD1-CD1 4.21Å; Y131-L135 HydrophobicContact CE1-CD1 4.29Å; Y131-L135 WeakPolarHBondContact O-CB 3.41Å; Y131-L135 PolarHBondContact O-N 3.35Å |
| 132 | I | 26.5 | Very low | 25.9 | Very low | 116 Ų | 116 | 101 Ų | 101 | 60% | 0.595 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.3 | -40.6 | 174.5 | -67.4 | 165.3 | 0 | 0 | 0 | 110.7 | C128 V129 L135 K136 | C128-I132 WeakPolarHBondContact O-CB 3.27Å; C128-I132 VanDerWaalsContact O-CG1 3.24Å; C128-I132 WeakPolarHBondContact O-CG1 3.35Å; C128-I132 PolarHBondContact O-N 2.91Å; V129-I132 PolarHBondContact O-N 2.78Å; I132-L135 PolarHBondContact O-N 3.45Å; I132-K136 WeakPolarHBondContact O-CB 3.23Å; I132-K136 PolarHBondContact O-N 2.85Å |
| 133 | T | 24.8 | Very low | 26 | Very low | 76 Ų | 76 | 100.9 Ų | 100.9 | 47% | 0.466 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.7 | -40.3 | 176.4 | -45.4 | 0 | 0 | 0 | 0 | 111.2 | V129 K130 Y131 K136 N137 | V129-T133 WeakPolarHBondContact O-CB 3.4Å; V129-T133 PolarHBondContact O-N 3.03Å; V129-T133 PolarHBondContact O-OG1 3.37Å; K130-T133 PolarHBondContact O-N 3.34Å; Y131-T133 VanDerWaalsContact C-N 3.34Å; Y131-T133 PolarHBondContact O-N 3.19Å; T133-K136 PolarHBondContact O-N 2.66Å; T133-N137 PolarHBondContact O-N 3.2Å |
| 134 | G | 25.1 | Very low | 26.1 | Very low | 35 Ų | 35 | 103.4 Ų | 103.4 | 36% | 0.361 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.2 | -39.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | K130 Y131 N137 N138 | K130-G134 PolarHBondContact O-N 3.37Å; Y131-G134 PolarHBondContact O-N 2.97Å; G134-N137 PolarHBondContact O-N 3.04Å; G134-N138 PolarHBondContact O-N 2.97Å |
| 135 | L | 27.1 | Very low | 25.9 | Very low | 69 Ų | 69 | 104.6 Ų | 104.6 | 36% | 0.361 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.4 | -42.9 | 176.7 | -132.4 | 96.1 | 0 | 0 | 0 | 111.5 | F20 Y131 I132 N137 N138 I139 | F20-L135 HydrophobicContact CE1-CD2 4.44Å; Y131-L135 HydrophobicContact CD1-CD1 4.21Å; Y131-L135 HydrophobicContact CE1-CD1 4.29Å; Y131-L135 WeakPolarHBondContact O-CB 3.41Å; Y131-L135 PolarHBondContact O-N 3.35Å; I132-L135 PolarHBondContact O-N 3.45Å; L135-N137 VanDerWaalsContact C-N 3.29Å; L135-N137 PolarHBondContact O-N 3.11Å; L135-N138 PolarHBondContact O-N 3.25Å; L135-N138 VanDerWaalsContact O-N 3.12Å; L135-I139 HydrophobicContact CD2-CD1 4.11Å; L135-I139 WeakPolarHBondContact O-CG1 3.2Å; L135-I139 PolarHBondContact O-N 2.94Å |
| 136 | K | 25.2 | Very low | 25.7 | Very low | 144 Ų | 144 | 107 Ų | 107 | 63% | 0.626 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -59.7 | -40.1 | 177.7 | -164.2 | 177.5 | -177.6 | -179.4 | 0 | 111.6 | I132 T133 Q140 | I132-K136 WeakPolarHBondContact O-CB 3.23Å; I132-K136 PolarHBondContact O-N 2.85Å; T133-K136 PolarHBondContact O-N 2.66Å; K136-Q140 PolarHBondContact O-N 2.92Å; K136-Q140 VanDerWaalsContact O-N 3.13Å |
| 137 | N | 25 | Very low | 25.9 | Very low | 91 Ų | 91 | 110.8 Ų | 110.8 | 49% | 0.487 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -69.6 | -29.8 | 176.4 | -72.3 | -14.8 | 0 | 0 | 0 | 113.4 | T133 G134 L135 | T133-N137 PolarHBondContact O-N 3.2Å; G134-N137 PolarHBondContact O-N 3.04Å; L135-N137 VanDerWaalsContact C-N 3.29Å; L135-N137 PolarHBondContact O-N 3.11Å |
| 138 | N | 25.5 | Very low | 25.8 | Very low | 103 Ų | 103 | 111.4 Ų | 111.4 | 55% | 0.551 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -81.3 | -35.7 | 176.2 | -85.2 | -20 | 0 | 0 | 0 | 112.5 | G134 L135 Q140 K141 C142 | G134-N138 PolarHBondContact O-N 2.97Å; L135-N138 PolarHBondContact O-N 3.25Å; L135-N138 VanDerWaalsContact O-N 3.12Å; N138-Q140 VanDerWaalsContact C-N 3.31Å; N138-Q140 PolarHBondContact O-N 2.85Å; N138-K141 PolarHBondContact O-N 3.45Å; N138-K141 VanDerWaalsContact O-N 3.1Å; N138-C142 PolarHBondContact O-N 3.33Å |
| 139 | I | 25.8 | Very low | 25.7 | Very low | 110 Ų | 110 | 115.1 Ų | 115.1 | 56% | 0.564 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -63.8 | -39.1 | 173.5 | -66.6 | 167.7 | 0 | 0 | 0 | 110.4 | L135 K141 C142 S143 | L135-I139 HydrophobicContact CD2-CD1 4.11Å; L135-I139 WeakPolarHBondContact O-CG1 3.2Å; L135-I139 PolarHBondContact O-N 2.94Å; I139-K141 PolarHBondContact O-N 2.9Å; I139-C142 PolarHBondContact O-N 2.79Å; I139-S143 PolarHBondContact O-N 3.1Å |
| 140 | Q | 24.5 | Very low | 25.7 | Very low | 131 Ų | 131 | 116.9 Ų | 116.9 | 61% | 0.612 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -18.1 | 173.3 | -85.8 | -172.3 | -32.4 | 0 | 0 | 114.7 | K136 N138 S143 | K136-Q140 PolarHBondContact O-N 2.92Å; K136-Q140 VanDerWaalsContact O-N 3.13Å; N138-Q140 VanDerWaalsContact C-N 3.31Å; N138-Q140 PolarHBondContact O-N 2.85Å; Q140-S143 PolarHBondContact O-OG 3.34Å |
| 141 | K | 24.9 | Very low | 25.8 | Very low | 172 Ų | 172 | 112.9 Ų | 112.9 | 75% | 0.748 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -8.2 | 173.1 | -74.1 | -178.2 | 177.3 | -178.7 | 0 | 113.1 | N138 I139 | N138-K141 PolarHBondContact O-N 3.45Å; N138-K141 VanDerWaalsContact O-N 3.1Å; I139-K141 PolarHBondContact O-N 2.9Å |
| 142 | C | 25.4 | Very low | 25.7 | Very low | 117 Ų | 117 | 109.6 Ų | 109.6 | 79% | 0.791 | 60% | 0.601 | S | S | * | * | trans | -109.7 | 3.9 | -179.6 | -66 | 0 | 0 | 0 | 0 | 113.5 | N138 I139 | N138-C142 PolarHBondContact O-N 3.33Å; I139-C142 PolarHBondContact O-N 2.79Å | ||
| 143 | S | 28.3 | Very low | 25.6 | Very low | 151 Ų | 151 | 109 Ų | 109 | 100% | 1.056 | 60% | 0.602 | S | S | * | * | trans | -88 | 0 | 163.4 | 59.1 | 0 | 0 | 0 | 0 | 110.5 | I139 Q140 | I139-S143 PolarHBondContact O-N 3.1Å; Q140-S143 PolarHBondContact O-OG 3.34Å |
Retrieved 143 of 143 residues in 60.9 ms
(Link to these results)