| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 28.7 | Very low | 28.8 | Very low | 249 Ų | 249 | 165.7 Ų | 165.7 | 100% | 1.227 | 86% | 0.864 | S | S | * | * | 0 | 158.8 | 0 | -77.5 | 169.1 | 163.9 | 0 | 0 | 109.6 | |||||
| 2 | Y | 28.7 | Very low | 28.5 | Very low | 229 Ų | 229 | 171 Ų | 171 | 90% | 0.898 | 86% | 0.864 | S | S | * | * | trans | -80.7 | -179.2 | 175.6 | -80.9 | -85.2 | 0 | 0 | 0 | 111.7 | ||||
| 3 | P | 34.1 | Very low | 28.4 | Very low | 124 Ų | 124 | 162 Ų | 162 | 81% | 0.805 | 83% | 0.827 | S | S | * | * | cis | -129.7 | -162.6 | -2.2 | 23.4 | 2.7 | 0 | 0 | 0 | 114.9 | ||||
| 4 | R | 31.4 | Very low | 28.5 | Very low | 240 Ų | 240 | 155.9 Ų | 155.9 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | trans | -99.6 | 145.8 | 179.1 | -56.1 | 164.6 | 171.3 | 159 | -6 | 113.7 | ||||
| 5 | S | 28.9 | Very low | 28.6 | Very low | 117 Ų | 117 | 155.3 Ų | 155.3 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -167.8 | 129.9 | 139.3 | 43.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 6 | R | 26.1 | Very low | 28.5 | Very low | 234 Ų | 234 | 153.8 Ų | 153.8 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | 73.1 | 102.5 | 65.5 | -95.6 | -169.5 | 175.7 | -177.8 | -0.5 | 115.3 | |||||
| 7 | N | 27.5 | Very low | 28.4 | Very low | 159 Ų | 159 | 154.1 Ų | 154.1 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | trans | 46.4 | 109.1 | 148.3 | -57.9 | 17.2 | 0 | 0 | 0 | 120.1 | ||||
| 8 | A | 26.3 | Very low | 28.3 | Very low | 98 Ų | 98 | 153.4 Ų | 153.4 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | -151.4 | 143.9 | 140.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 9 | V | 26.8 | Very low | 28.2 | Very low | 145 Ų | 145 | 157.4 Ų | 157.4 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | trans | -125.2 | 115.4 | 171.9 | 173.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 10 | V | 25.5 | Very low | 28 | Very low | 130 Ų | 130 | 155 Ų | 155 | 79% | 0.788 | 80% | 0.803 | S | S | * | * | trans | -149.6 | 125 | 167.1 | -152.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 11 | P | 32.6 | Very low | 27.8 | Very low | 98 Ų | 98 | 153.2 Ų | 153.2 | 64% | 0.636 | 80% | 0.804 | S | S | * | * | trans | -86.5 | 177.4 | 163 | 34 | -28.8 | 0 | 0 | 0 | 110.8 | ||||
| 12 | W | 25 | Very low | 27.6 | Very low | 229 Ų | 229 | 146.7 Ų | 146.7 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | trans | 161.1 | 177 | 143.7 | -96.4 | 62.1 | 0 | 0 | 0 | 110.2 | ||||
| 13 | S | 27.7 | Very low | 27.5 | Very low | 54 Ų | 54 | 144.4 Ų | 144.4 | 38% | 0.378 | 78% | 0.783 | S | S | . | * | trans | -123.3 | 159 | -147.7 | 61.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 14 | S | 29.5 | Very low | 27 | Very low | 77 Ų | 77 | 146.5 Ų | 146.5 | 54% | 0.538 | 79% | 0.787 | S | S | . | * | trans | 67.9 | 129.7 | 141.3 | 57 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 15 | N | 29.5 | Very low | 26.7 | Very low | 146 Ų | 146 | 142 Ų | 142 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | trans | 73.8 | 135.4 | 150.3 | -59.2 | -9.2 | 0 | 0 | 0 | 120.3 | ||||
| 16 | V | 27.2 | Very low | 26.6 | Very low | 131 Ų | 131 | 141 Ų | 141 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | 177.8 | 127.5 | 127.9 | 145.8 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 17 | L | 27.2 | Very low | 26.5 | Very low | 160 Ų | 160 | 138.9 Ų | 138.9 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | trans | 65.5 | 152.8 | 158.9 | -71.9 | 167.9 | 0 | 0 | 0 | 123.6 | ||||
| 18 | D | 25.9 | Very low | 26.7 | Very low | 141 Ų | 141 | 137.5 Ų | 137.5 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | trans | -116.6 | 161.1 | -169.2 | -51.7 | -84.9 | 0 | 0 | 0 | 113.1 | ||||
| 19 | Y | 26.5 | Very low | 27.2 | Very low | 229 Ų | 229 | 139.2 Ų | 139.2 | 90% | 0.898 | 76% | 0.757 | S | S | * | * | trans | -160.6 | 161.1 | 155.3 | -100.7 | -71.1 | 0 | 0 | 0 | 107.8 | ||||
| 20 | P | 25.1 | Very low | 27.7 | Very low | 109 Ų | 109 | 137.9 Ų | 137.9 | 71% | 0.708 | 75% | 0.749 | S | S | * | * | -107.3 | 167.9 | -117.4 | -0.6 | 24 | 0 | 0 | 0 | 116.4 | S22 | P20-S22 PolarHBondContact O-N 2.77Š| |||
| 21 | S | 23.7 | Very low | 29 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 83% | 0.832 | 73% | 0.73 | S | S | * | * | trans | -60.8 | 115.3 | 178.8 | 51.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 22 | S | 25.1 | Very low | 30.1 | Very low | 112 Ų | 112 | 131.6 Ų | 131.6 | 78% | 0.783 | 71% | 0.708 | S | S | * | * | trans | -156.6 | 45.8 | 157.1 | 61.6 | 0 | 0 | 0 | 0 | 114.9 | P20 | P20-S22 PolarHBondContact O-N 2.77Š| ||
| 23 | M | 25.4 | Very low | 31.7 | Very low | 180 Ų | 180 | 123.4 Ų | 123.4 | 89% | 0.887 | 68% | 0.678 | S | S | * | * | trans | -166 | 96.8 | 160.7 | -107.7 | 163.2 | -162.5 | 0 | 0 | 110.9 | ||||
| 24 | N | 23.3 | Very low | 33.5 | Very low | 168 Ų | 168 | 122.2 Ų | 122.2 | 90% | 0.898 | 67% | 0.669 | S | S | * | * | trans | -96.4 | 103.5 | 164.5 | -85 | -4.3 | 0 | 0 | 0 | 108.3 | ||||
| 25 | L | 26.6 | Very low | 35.2 | Very low | 147 Ų | 147 | 119.9 Ų | 119.9 | 77% | 0.77 | 65% | 0.651 | S | S | * | * | trans | -133.8 | 135.1 | 162.5 | -75.3 | 175.2 | 0 | 0 | 0 | 108.5 | ||||
| 26 | S | 25.1 | Very low | 37 | Very low | 94 Ų | 94 | 113.3 Ų | 113.3 | 66% | 0.657 | 62% | 0.617 | S | S | * | * | trans | -125.7 | 160.5 | -175.5 | 51.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 27 | E | 25.7 | Very low | 39.1 | Very low | 190 Ų | 190 | 107.1 Ų | 107.1 | 89% | 0.888 | 58% | 0.579 | S | S | * | * | S | Bend | trans | 79.6 | 5.7 | 167.3 | -47.7 | -169.9 | 129.6 | 0 | 0 | 118.4 | ||
| 28 | E | 30.7 | Very low | 41.4 | Very low | 131 Ų | 131 | 100.2 Ų | 100.2 | 61% | 0.612 | 54% | 0.542 | S | S | * | . | trans | -104.6 | 83 | -179.1 | -67.8 | 177.7 | 156.3 | 0 | 0 | 114.1 | V30 | E28-V30 PolarHBondContact O-N 3.33Š| ||
| 29 | N | 36.6 | Very low | 43.5 | Very low | 134 Ų | 134 | 94 Ų | 94 | 72% | 0.717 | 51% | 0.508 | S | S | * | . | trans | -83.9 | 1.1 | -179 | -100.3 | -39.4 | 0 | 0 | 0 | 115.4 | ||||
| 30 | V | 38.7 | Very low | 45.7 | Very low | 117 Ų | 117 | 83.2 Ų | 83.2 | 71% | 0.709 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -98.2 | -52.8 | -174 | -177.5 | 0 | 0 | 0 | 0 | 111.9 | E28 S32 F33 | E28-V30 PolarHBondContact O-N 3.33Å; V30-S32 PolarHBondContact O-N 2.8Å; V30-S32 VanDerWaalsContact O-N 3.11Å; V30-F33 PolarHBondContact O-N 3.47Å |
| 31 | D | 52.4 | Low | 48.2 | Very low | 72 Ų | 72 | 78.2 Ų | 78.2 | 39% | 0.385 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.8 | -27.6 | -174.4 | -82.2 | 28 | 0 | 0 | 0 | 114.3 | F33 T34 T35 | D31-F33 PolarHBondContact O-N 3.32Å; D31-T34 PolarHBondContact O-N 3.23Å; D31-T35 WeakPolarHBondContact O-CB 3.41Å; D31-T35 PolarHBondContact O-N 3.25Å; D31-T35 PolarHBondContact O-OG1 3.4Å |
| 32 | S | 54.8 | Low | 50.7 | Low | 24 Ų | 24 | 75.4 Ų | 75.4 | 17% | 0.168 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.1 | -26.2 | -178.1 | 64.7 | 0 | 0 | 0 | 0 | 114.2 | V30 V36 | V30-S32 PolarHBondContact O-N 2.8Å; V30-S32 VanDerWaalsContact O-N 3.11Å; S32-V36 WeakPolarHBondContact O-CG2 3.48Å; S32-V36 PolarHBondContact O-N 2.82Å; S32-V36 VanDerWaalsContact O-N 3.1Å |
| 33 | F | 59.5 | Low | 52.8 | Low | 56 Ų | 56 | 70.4 Ų | 70.4 | 25% | 0.246 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -75.2 | -46.2 | 175.8 | -173.8 | -95.9 | 0 | 0 | 0 | 112.1 | V30 D31 T35 V36 Y37 I65 | V30-F33 PolarHBondContact O-N 3.47Å; D31-F33 PolarHBondContact O-N 3.32Å; F33-T35 VanDerWaalsContact C-N 3.33Å; F33-T35 PolarHBondContact O-N 3.32Å; F33-V36 PolarHBondContact O-N 3.34Å; F33-Y37 HydrophobicContact CD1-CD2 4.2Å; F33-Y37 HydrophobicContact CD1-CE2 4.48Å; F33-Y37 AromaticContact CE1-CD2 3.77Å; F33-Y37 HydrophobicContact CE1-CD2 3.77Å; F33-Y37 AromaticContact CE1-CE2 3.65Å; F33-Y37 HydrophobicContact CE1-CE2 3.65Å; F33-Y37 HydrophobicContact CE2-CD2 4.42Å; F33-Y37 AromaticContact CE2-CE2 3.99Å; F33-Y37 HydrophobicContact CE2-CE2 3.99Å; F33-Y37 AromaticContact CZ-CD2 3.9Å; F33-Y37 HydrophobicContact CZ-CD2 3.9Å; F33-Y37 AromaticContact CZ-CE2 3.37Å; F33-Y37 HydrophobicContact CZ-CE2 3.37Å; F33-Y37 PolarHBondContact O-N 3.01Å; F33-I65 HydrophobicContact CD1-CG2 4.14Å; F33-I65 HydrophobicContact CE1-CD1 4.3Å; F33-I65 HydrophobicContact CE1-CG2 3.99Å |
| 34 | T | 64.2 | Low | 55.1 | Low | 30 Ų | 30 | 63.5 Ų | 63.5 | 18% | 0.184 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.8 | -39.3 | 176 | -59.4 | 0 | 0 | 0 | 0 | 111 | D31 Y37 Y38 I65 F66 F85 | D31-T34 PolarHBondContact O-N 3.23Å; T34-Y37 PolarHBondContact O-N 3.32Å; T34-Y38 PolarHBondContact O-N 3.15Å; T34-I65 WeakPolarHBondContact CB-O 3.31Å; T34-I65 WeakPolarHBondContact CG2-O 3.26Å; T34-I65 PolarHBondContact OG1-O 3.13Å; T34-F66 HydrophobicContact CG2-CD1 3.63Å; T34-F66 HydrophobicContact CG2-CE1 4.03Å; T34-F85 HydrophobicContact CG2-CE2 4.08Å; T34-F85 HydrophobicContact CG2-CZ 3.75Å |
| 35 | T | 65.9 | Low | 57.4 | Low | 28 Ų | 28 | 57.3 Ų | 57.3 | 17% | 0.172 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 174.1 | -56.7 | 0 | 0 | 0 | 0 | 112.3 | D31 F33 Y37 Y38 L39 L111 | D31-T35 WeakPolarHBondContact O-CB 3.41Å; D31-T35 PolarHBondContact O-N 3.25Å; D31-T35 PolarHBondContact O-OG1 3.4Å; F33-T35 VanDerWaalsContact C-N 3.33Å; F33-T35 PolarHBondContact O-N 3.32Å; T35-Y37 VanDerWaalsContact C-N 3.34Å; T35-Y37 PolarHBondContact O-N 2.98Å; T35-Y38 PolarHBondContact O-N 2.73Å; T35-L39 HydrophobicContact CG2-CD1 3.89Å; T35-L39 HydrophobicContact CG2-CG 4.4Å; T35-L39 WeakPolarHBondContact O-CB 3.44Å; T35-L39 WeakPolarHBondContact O-CD1 3.14Å; T35-L39 VanDerWaalsContact O-CG 3.27Å; T35-L39 WeakPolarHBondContact O-CG 3.46Å; T35-L39 PolarHBondContact O-N 3.47Å; T35-L111 HydrophobicContact CG2-CD1 3.69Å |
| 36 | V | 66.8 | Low | 59.6 | Low | 8 Ų | 8 | 52.9 Ų | 52.9 | 5% | 0.048 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.3 | -43 | 171 | 164.9 | 0 | 0 | 0 | 0 | 111.3 | S32 F33 A40 L108 L111 F130 | S32-V36 WeakPolarHBondContact O-CG2 3.48Å; S32-V36 PolarHBondContact O-N 2.82Å; S32-V36 VanDerWaalsContact O-N 3.1Å; F33-V36 PolarHBondContact O-N 3.34Å; V36-A40 WeakPolarHBondContact O-CB 3.35Å; V36-A40 PolarHBondContact O-N 2.99Å; V36-L108 WeakPolarHBondContact O-CD1 3.26Å; V36-L111 HydrophobicContact CG2-CB 3.5Å; V36-L111 VanDerWaalsContact CG2-CB 3.5Å; V36-L111 HydrophobicContact CG2-CD1 3.64Å; V36-L111 HydrophobicContact CG2-CG 4.13Å; V36-F130 HydrophobicContact CG1-CD2 4.31Å; V36-F130 HydrophobicContact CG1-CE1 4.21Å; V36-F130 HydrophobicContact CG1-CE2 3.93Å; V36-F130 HydrophobicContact CG1-CZ 3.87Å |
| 37 | Y | 71 | Confident | 61.6 | Low | 1 Ų | 1 | 48.4 Ų | 48.4 | 0% | 0.004 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.2 | -42.3 | 177.4 | -98.6 | -97.8 | 0 | 0 | 0 | 113 | F33 T34 T35 A40 L41 L56 A60 I65 S128 F130 | F33-Y37 HydrophobicContact CD1-CD2 4.2Å; F33-Y37 HydrophobicContact CD1-CE2 4.48Å; F33-Y37 AromaticContact CE1-CD2 3.77Å; F33-Y37 HydrophobicContact CE1-CD2 3.77Å; F33-Y37 AromaticContact CE1-CE2 3.65Å; F33-Y37 HydrophobicContact CE1-CE2 3.65Å; F33-Y37 HydrophobicContact CE2-CD2 4.42Å; F33-Y37 AromaticContact CE2-CE2 3.99Å; F33-Y37 HydrophobicContact CE2-CE2 3.99Å; F33-Y37 AromaticContact CZ-CD2 3.9Å; F33-Y37 HydrophobicContact CZ-CD2 3.9Å; F33-Y37 AromaticContact CZ-CE2 3.37Å; F33-Y37 HydrophobicContact CZ-CE2 3.37Å; F33-Y37 PolarHBondContact O-N 3.01Å; T34-Y37 PolarHBondContact O-N 3.32Å; T35-Y37 VanDerWaalsContact C-N 3.34Å; T35-Y37 PolarHBondContact O-N 2.98Å; Y37-A40 PolarHBondContact O-N 3.04Å; Y37-L41 WeakPolarHBondContact O-CB 3.42Å; Y37-L41 PolarHBondContact O-N 3.12Å; Y37-L56 HydrophobicContact CE1-CD1 3.92Å; Y37-A60 HydrophobicContact CD1-CB 4Å; Y37-A60 HydrophobicContact CE1-CB 4.41Å; Y37-I65 HydrophobicContact CD1-CD1 3.79Å; Y37-I65 HydrophobicContact CD1-CG2 4.15Å; Y37-I65 HydrophobicContact CD2-CD1 4.33Å; Y37-I65 HydrophobicContact CD2-CG2 4Å; Y37-I65 HydrophobicContact CE1-CD1 3.5Å; Y37-I65 HydrophobicContact CE2-CD1 4.1Å; Y37-I65 HydrophobicContact CG-CD1 4.19Å; Y37-I65 HydrophobicContact CG-CG2 3.7Å; Y37-S128 PolarHBondContact OH-OG 3.44Å; Y37-F130 HydrophobicContact CD2-CD2 4.15Å; Y37-F130 HydrophobicContact CE2-CB 4.39Å; Y37-F130 AromaticContact CE2-CD2 3.6Å; Y37-F130 HydrophobicContact CE2-CD2 3.6Å; Y37-F130 HydrophobicContact CE2-CE2 4.4Å; Y37-F130 HydrophobicContact CE2-CG 4.43Å; Y37-F130 AromaticContact CZ-CD2 3.87Å |
| 38 | Y | 75.4 | Confident | 63.5 | Low | 14 Ų | 14 | 41.2 Ų | 41.2 | 6% | 0.055 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.7 | -52 | 175.4 | 177.5 | -110.6 | 0 | 0 | 0 | 111.4 | T34 T35 A40 L41 R42 F82 F85 E86 E89 | T34-Y38 PolarHBondContact O-N 3.15Å; T35-Y38 PolarHBondContact O-N 2.73Å; Y38-A40 VanDerWaalsContact C-N 3.34Å; Y38-A40 PolarHBondContact O-N 2.9Å; Y38-L41 PolarHBondContact O-N 3.37Å; Y38-R42 HydrophobicContact CD1-CG 4.35Å; Y38-R42 HydrophobicContact CD2-CG 4.15Å; Y38-R42 HydrophobicContact CE1-CG 3.84Å; Y38-R42 HydrophobicContact CE2-CG 3.6Å; Y38-R42 HydrophobicContact CG-CG 4.49Å; Y38-R42 VanDerWaalsContact CZ-CG 3.44Å; Y38-R42 WeakPolarHBondContact O-CG 3.27Å; Y38-R42 PolarHBondContact O-N 2.92Å; Y38-R42 WeakPolarHBondContact OH-CD 3.43Å; Y38-R42 PolarHBondContact OH-NE 3.18Å; Y38-F82 HydrophobicContact CD2-CD2 4Å; Y38-F82 AromaticContact CD2-CE2 3.74Å; Y38-F82 HydrophobicContact CD2-CE2 3.74Å; Y38-F82 HydrophobicContact CD2-CZ 4.35Å; Y38-F82 HydrophobicContact CE2-CD2 4.38Å; Y38-F82 HydrophobicContact CE2-CE2 4.01Å; Y38-F82 HydrophobicContact CE2-CZ 4.17Å; Y38-F85 HydrophobicContact CD1-CB 4.1Å; Y38-F85 AromaticContact CD1-CD1 3.96Å; Y38-F85 HydrophobicContact CD1-CD1 3.96Å; Y38-F85 HydrophobicContact CD1-CG 4.4Å; Y38-F85 HydrophobicContact CD2-CB 3.44Å; Y38-F85 VanDerWaalsContact CD2-CB 3.44Å; Y38-F85 HydrophobicContact CD2-CD1 4.28Å; Y38-F85 AromaticContact CD2-CG 3.97Å; Y38-F85 HydrophobicContact CD2-CG 3.97Å; Y38-F85 HydrophobicContact CE1-CB 3.97Å; Y38-F85 HydrophobicContact CE1-CD1 4.47Å; Y38-F85 HydrophobicContact CE2-CB 3.29Å; Y38-F85 HydrophobicContact CE2-CG 4.31Å; Y38-F85 HydrophobicContact CG-CB 3.85Å; Y38-F85 AromaticContact CG-CD1 3.85Å; Y38-F85 HydrophobicContact CG-CD1 3.85Å; Y38-F85 HydrophobicContact CG-CG 4.02Å; Y38-F85 PolarHBondContact OH-O 2.89Å; Y38-E86 HydrophobicContact CE2-CG 4.06Å; Y38-E89 PolarHBondContact OH-OE2 3.07Å |
| 39 | L | 71.2 | Confident | 65 | Low | 10 Ų | 10 | 37.1 Ų | 37.1 | 5% | 0.052 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.7 | -37.6 | 179.6 | -66.2 | 165.5 | 0 | 0 | 0 | 111.7 | T35 L41 L43 M104 H107 L108 L111 | T35-L39 HydrophobicContact CG2-CD1 3.89Å; T35-L39 HydrophobicContact CG2-CG 4.4Å; T35-L39 WeakPolarHBondContact O-CB 3.44Å; T35-L39 WeakPolarHBondContact O-CD1 3.14Å; T35-L39 VanDerWaalsContact O-CG 3.27Å; T35-L39 WeakPolarHBondContact O-CG 3.46Å; T35-L39 PolarHBondContact O-N 3.47Å; L39-L41 VanDerWaalsContact C-N 3.32Å; L39-L41 PolarHBondContact O-N 3.36Å; L39-L43 VanDerWaalsContact O-CB 3.25Å; L39-L43 WeakPolarHBondContact O-CB 3.33Å; L39-L43 WeakPolarHBondContact O-CD1 3.44Å; L39-L43 WeakPolarHBondContact O-CG 3.49Å; L39-L43 PolarHBondContact O-N 3.19Å; L39-M104 HydrophobicContact CD2-CE 4.18Å; L39-H107 HydrophobicContact CD1-CB 4.46Å; L39-H107 WeakPolarHBondContact CD1-CD2 3.27Å; L39-L108 HydrophobicContact CB-CB 3.96Å; L39-L108 HydrophobicContact CB-CD1 3.73Å; L39-L108 HydrophobicContact CB-CG 4.48Å; L39-L108 HydrophobicContact CD1-CB 4.31Å; L39-L111 HydrophobicContact CD1-CD1 3.79Å |
| 40 | A | 73.4 | Confident | 66.8 | Low | 4 Ų | 4 | 33.9 Ų | 33.9 | 3% | 0.033 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.9 | -45.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | V36 Y37 Y38 L43 I44 L108 F130 | V36-A40 WeakPolarHBondContact O-CB 3.35Å; V36-A40 PolarHBondContact O-N 2.99Å; Y37-A40 PolarHBondContact O-N 3.04Å; Y38-A40 VanDerWaalsContact C-N 3.34Å; Y38-A40 PolarHBondContact O-N 2.9Å; A40-L43 PolarHBondContact O-N 3.35Å; A40-I44 HydrophobicContact CB-CD1 4.5Å; A40-I44 WeakPolarHBondContact O-CB 3.45Å; A40-I44 WeakPolarHBondContact O-CD1 3.33Å; A40-I44 WeakPolarHBondContact O-CG1 3.45Å; A40-I44 PolarHBondContact O-N 3.36Å; A40-L108 HydrophobicContact CB-CD1 3.85Å; A40-L108 VanDerWaalsContact N-CD1 3.31Å; A40-F130 HydrophobicContact CB-CE2 3.85Å; A40-F130 HydrophobicContact CB-CZ 3.97Å |
| 41 | L | 76.4 | Confident | 68.3 | Low | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.5 | -48.9 | 177.6 | -91.2 | 159.3 | 0 | 0 | 0 | 112.9 | Y37 Y38 L39 L43 I44 A45 A53 L56 R57 A60 F66 F82 | Y37-L41 WeakPolarHBondContact O-CB 3.42Å; Y37-L41 PolarHBondContact O-N 3.12Å; Y38-L41 PolarHBondContact O-N 3.37Å; L39-L41 VanDerWaalsContact C-N 3.32Å; L39-L41 PolarHBondContact O-N 3.36Å; L41-L43 PolarHBondContact O-N 3.24Å; L41-I44 PolarHBondContact O-N 2.88Å; L41-A45 WeakPolarHBondContact O-CB 3.49Å; L41-A45 PolarHBondContact O-N 3.23Å; L41-A53 HydrophobicContact CD2-CB 4.22Å; L41-A53 WeakPolarHBondContact CD2-O 3.48Å; L41-L56 HydrophobicContact CD2-CB 4.11Å; L41-L56 HydrophobicContact CD2-CD2 4.38Å; L41-L56 HydrophobicContact CD2-CG 4.3Å; L41-L56 HydrophobicContact CG-CD2 4.15Å; L41-L56 HydrophobicContact CG-CG 4.26Å; L41-R57 HydrophobicContact CD1-CB 4.34Å; L41-R57 HydrophobicContact CD2-CB 3.74Å; L41-A60 HydrophobicContact CD1-CB 4.2Å; L41-F66 HydrophobicContact CD1-CE2 3.67Å; L41-F66 HydrophobicContact CD1-CZ 3.63Å; L41-F82 HydrophobicContact CB-CE2 3.79Å; L41-F82 HydrophobicContact CB-CZ 4.29Å; L41-F82 HydrophobicContact CD1-CD2 4.49Å; L41-F82 HydrophobicContact CD1-CE2 4.08Å; L41-F82 HydrophobicContact CG-CE2 4.45Å |
| 42 | R | 76.5 | Confident | 69 | Low | 60 Ų | 60 | 33.9 Ų | 33.9 | 23% | 0.226 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.3 | -33.1 | 175.3 | -63.3 | -73.5 | -76.3 | 162.7 | 8.7 | 111.8 | Y38 A46 E86 E89 M104 | Y38-R42 HydrophobicContact CD1-CG 4.35Å; Y38-R42 HydrophobicContact CD2-CG 4.15Å; Y38-R42 HydrophobicContact CE1-CG 3.84Å; Y38-R42 HydrophobicContact CE2-CG 3.6Å; Y38-R42 HydrophobicContact CG-CG 4.49Å; Y38-R42 VanDerWaalsContact CZ-CG 3.44Å; Y38-R42 WeakPolarHBondContact O-CG 3.27Å; Y38-R42 PolarHBondContact O-N 2.92Å; Y38-R42 WeakPolarHBondContact OH-CD 3.43Å; Y38-R42 PolarHBondContact OH-NE 3.18Å; R42-A46 WeakPolarHBondContact O-CB 3.21Å; R42-A46 PolarHBondContact O-N 3.23Å; R42-E86 IonicContact CZ-OE1 2.95Å; R42-E86 IonicContact NH1-OE1 3.71Å; R42-E86 PolarHBondContact NH1-OE1 2.99Å; R42-E89 IonicContact CZ-OE1 3.84Å; R42-E89 IonicContact CZ-OE2 3.3Å; R42-E89 IonicContact NE-OE2 3.68Å; R42-E89 PolarHBondContact NE-OE2 3.1Å; R42-E89 IonicContact NH2-OE1 2.8Å; R42-E89 PolarHBondContact NH2-OE1 3.4Å; R42-E89 IonicContact NH2-OE2 2.76Å; R42-E89 PolarHBondContact NH2-OE2 3Å; R42-M104 HydrophobicContact CB-CE 3.43Å; R42-M104 VanDerWaalsContact CB-CE 3.43Å; R42-M104 HydrophobicContact CG-CE 3.85Å |
| 43 | L | 69.5 | Low | 69.8 | Low | 7 Ų | 7 | 33 Ų | 33 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -77.3 | -27.3 | 176.1 | -71 | 169.8 | 0 | 0 | 0 | 114.7 | L39 A40 L41 G47 L101 M104 Y105 L108 Q1378 | L39-L43 VanDerWaalsContact O-CB 3.25Å; L39-L43 WeakPolarHBondContact O-CB 3.33Å; L39-L43 WeakPolarHBondContact O-CD1 3.44Å; L39-L43 WeakPolarHBondContact O-CG 3.49Å; L39-L43 PolarHBondContact O-N 3.19Å; A40-L43 PolarHBondContact O-N 3.35Å; L41-L43 PolarHBondContact O-N 3.24Å; L43-G47 WeakPolarHBondContact O-CA 3.36Å; L43-G47 PolarHBondContact O-N 3.37Å; L43-G47 VanDerWaalsContact O-N 3.09Å; L43-L101 HydrophobicContact CD2-CD2 3.55Å; L43-M104 HydrophobicContact CD2-CB 4.31Å; L43-Y105 HydrophobicContact CD2-CG 4.36Å; L43-L108 HydrophobicContact CD1-CB 3.71Å; L43-L108 HydrophobicContact CD1-CD1 4.21Å; L43-L108 HydrophobicContact CD1-CD2 3.91Å; L43-L108 HydrophobicContact CD1-CG 4.15Å; L43-Q1378 PolarHBondContact O-NE2 3Å |
| 44 | I | 72.8 | Confident | 70.5 | Confident | 36 Ų | 36 | 33.2 Ų | 33.2 | 19% | 0.185 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -84.7 | -19 | 174.5 | -62.2 | 163 | 0 | 0 | 0 | 110.6 | A40 L41 G47 C49 A53 L56 L129 | A40-I44 HydrophobicContact CB-CD1 4.5Å; A40-I44 WeakPolarHBondContact O-CB 3.45Å; A40-I44 WeakPolarHBondContact O-CD1 3.33Å; A40-I44 WeakPolarHBondContact O-CG1 3.45Å; A40-I44 PolarHBondContact O-N 3.36Å; L41-I44 PolarHBondContact O-N 2.88Å; I44-G47 CarbonylContact C-O 3.53Å; I44-G47 CarbonylContact O-C 3.56Å; I44-C49 HydrophobicContact CG2-CB 3.82Å; I44-C49 WeakPolarHBondContact CG2-O 3.35Å; I44-C49 CarbonylContact O-C 3.53Å; I44-A53 HydrophobicContact CB-CB 4.22Å; I44-A53 HydrophobicContact CG2-CB 3.85Å; I44-L56 HydrophobicContact CD1-CD2 3.61Å; I44-L129 HydrophobicContact CD1-CD2 4.28Å |
| 45 | A | 72.5 | Confident | 71 | Confident | 37 Ų | 37 | 36 Ų | 36 | 31% | 0.306 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -98.5 | -37.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | L41 G47 Q50 A53 | L41-A45 WeakPolarHBondContact O-CB 3.49Å; L41-A45 PolarHBondContact O-N 3.23Å; A45-G47 CarbonylContact C-O 2.78Å; A45-G47 WeakPolarHBondContact CA-O 3.36Å; A45-Q50 WeakPolarHBondContact O-CG 3.31Å; A45-Q50 PolarHBondContact O-NE2 3.12Å; A45-A53 HydrophobicContact CB-CB 3.79Å |
| 46 | A | 71.7 | Confident | 71.4 | Confident | 55 Ų | 55 | 35.2 Ų | 35.2 | 46% | 0.455 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -71.4 | -20.4 | 160.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | R42 L101 | R42-A46 WeakPolarHBondContact O-CB 3.21Å; R42-A46 PolarHBondContact O-N 3.23Å; A46-L101 HydrophobicContact CB-CD1 4.41Å; A46-L101 HydrophobicContact CB-CD2 4.42Å; A46-L101 HydrophobicContact CB-CG 4.41Å |
| 47 | G | 67 | Low | 71.9 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -73.1 | 141.8 | 153.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | L43 I44 A45 C49 Q50 Q1378 | L43-G47 WeakPolarHBondContact O-CA 3.36Å; L43-G47 PolarHBondContact O-N 3.37Å; L43-G47 VanDerWaalsContact O-N 3.09Å; I44-G47 CarbonylContact C-O 3.53Å; I44-G47 CarbonylContact O-C 3.56Å; A45-G47 CarbonylContact C-O 2.78Å; A45-G47 WeakPolarHBondContact CA-O 3.36Å; G47-C49 PolarHBondContact O-N 3.2Å; G47-Q50 WeakPolarHBondContact O-CG 3.44Å; G47-Q1378 VanDerWaalsContact N-NE2 3.13Å |
| 48 | P | 65.8 | Low | 72.1 | Confident | 38 Ų | 38 | 47.5 Ų | 47.5 | 25% | 0.247 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -72.2 | 15.6 | 170 | -24.9 | 36.8 | 0 | 0 | 0 | 114.2 | Q50 S1379 G1380 A1381 | P48-Q50 PolarHBondContact O-N 2.94Å; P48-S1379 VanDerWaalsContact CB-OG 3.3Å; P48-S1379 WeakPolarHBondContact CB-OG 3.28Å; P48-S1379 VanDerWaalsContact CD-OG 3.3Å; P48-S1379 WeakPolarHBondContact CD-OG 3.33Å; P48-S1379 WeakPolarHBondContact CG-OG 3.46Å; P48-G1380 VanDerWaalsContact CB-N 3.34Å; P48-G1380 VanDerWaalsContact CB-O 3.24Å; P48-G1380 WeakPolarHBondContact CB-O 3.4Å; P48-G1380 CarbonylContact O-C 3.56Å; P48-G1380 WeakPolarHBondContact O-CA 3.32Å; P48-G1380 PolarHBondContact O-N 3.43Å; P48-A1381 PolarHBondContact O-N 2.79Å |
| 49 | C | 63.3 | Low | 71.7 | Confident | 45 Ų | 45 | 49.4 Ų | 49.4 | 30% | 0.304 | 27% | 0.267 | S | S | . | . | trans | -73.7 | 43.7 | 165.7 | -65.8 | 0 | 0 | 0 | 0 | 111 | I44 G47 E51 S52 A53 | I44-C49 HydrophobicContact CG2-CB 3.82Å; I44-C49 WeakPolarHBondContact CG2-O 3.35Å; I44-C49 CarbonylContact O-C 3.53Å; G47-C49 PolarHBondContact O-N 3.2Å; C49-E51 PolarHBondContact O-N 3.06Å; C49-S52 CarbonylContact O-C 3.49Å; C49-S52 WeakPolarHBondContact O-CA 3.42Å; C49-S52 VanDerWaalsContact O-CB 3.24Å; C49-S52 WeakPolarHBondContact O-CB 3.43Å; C49-S52 PolarHBondContact O-N 3.28Å; C49-A53 PolarHBondContact O-N 2.9Å | ||
| 50 | Q | 73.7 | Confident | 71.5 | Confident | 66 Ų | 66 | 48.9 Ų | 48.9 | 31% | 0.308 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -68.9 | -34 | -161.9 | -80.7 | 171.7 | -6.3 | 0 | 0 | 113.3 | A45 G47 P48 S52 A53 A54 N1382 | A45-Q50 WeakPolarHBondContact O-CG 3.31Å; A45-Q50 PolarHBondContact O-NE2 3.12Å; G47-Q50 WeakPolarHBondContact O-CG 3.44Å; P48-Q50 PolarHBondContact O-N 2.94Å; Q50-S52 VanDerWaalsContact C-N 3.32Å; Q50-S52 PolarHBondContact O-N 3.31Å; Q50-A53 WeakPolarHBondContact O-CB 3.47Å; Q50-A53 PolarHBondContact O-N 3.02Å; Q50-A54 PolarHBondContact O-N 3.25Å; Q50-N1382 WeakPolarHBondContact CB-OD1 3.44Å; Q50-N1382 PolarHBondContact OE1-ND2 3Å; Q50-N1382 PolarHBondContact OE1-OD1 3.34Å |
| 51 | E | 71.2 | Confident | 71.4 | Confident | 121 Ų | 121 | 53 Ų | 53 | 57% | 0.565 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -60.6 | -41.8 | 167.2 | -60.7 | -174.7 | 135.8 | 0 | 0 | 111.8 | C49 A53 A54 V55 | C49-E51 PolarHBondContact O-N 3.06Å; E51-A53 VanDerWaalsContact C-N 3.3Å; E51-A53 PolarHBondContact O-N 2.87Å; E51-A54 PolarHBondContact O-N 3.25Å; E51-V55 WeakPolarHBondContact O-CG2 3.49Å; E51-V55 PolarHBondContact O-N 2.84Å |
| 52 | S | 66.3 | Low | 70.8 | Confident | 68 Ų | 68 | 58.8 Ų | 58.8 | 48% | 0.476 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.3 | -30.5 | 176.6 | -47.2 | 0 | 0 | 0 | 0 | 111.8 | C49 Q50 L56 | C49-S52 CarbonylContact O-C 3.49Å; C49-S52 WeakPolarHBondContact O-CA 3.42Å; C49-S52 VanDerWaalsContact O-CB 3.24Å; C49-S52 WeakPolarHBondContact O-CB 3.43Å; C49-S52 PolarHBondContact O-N 3.28Å; Q50-S52 VanDerWaalsContact C-N 3.32Å; Q50-S52 PolarHBondContact O-N 3.31Å; S52-L56 WeakPolarHBondContact O-CB 3.46Å; S52-L56 PolarHBondContact O-N 2.66Å |
| 53 | A | 71.2 | Confident | 70 | Confident | 6 Ų | 6 | 59.6 Ų | 59.6 | 5% | 0.05 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.8 | -44.9 | 169 | 0 | 0 | 0 | 0 | 0 | 111.2 | L41 I44 A45 C49 Q50 E51 V55 L56 R57 | L41-A53 HydrophobicContact CD2-CB 4.22Å; L41-A53 WeakPolarHBondContact CD2-O 3.48Å; I44-A53 HydrophobicContact CB-CB 4.22Å; I44-A53 HydrophobicContact CG2-CB 3.85Å; A45-A53 HydrophobicContact CB-CB 3.79Å; C49-A53 PolarHBondContact O-N 2.9Å; Q50-A53 WeakPolarHBondContact O-CB 3.47Å; Q50-A53 PolarHBondContact O-N 3.02Å; E51-A53 VanDerWaalsContact C-N 3.3Å; E51-A53 PolarHBondContact O-N 2.87Å; A53-V55 PolarHBondContact O-N 3.28Å; A53-L56 PolarHBondContact O-N 3.27Å; A53-R57 WeakPolarHBondContact O-CB 3.25Å; A53-R57 PolarHBondContact O-N 3.17Å |
| 54 | A | 75.1 | Confident | 69.8 | Low | 61 Ų | 61 | 60.9 Ų | 60.9 | 50% | 0.504 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q50 E51 R57 R58 | Q50-A54 PolarHBondContact O-N 3.25Å; E51-A54 PolarHBondContact O-N 3.25Å; A54-R57 PolarHBondContact O-N 3.35Å; A54-R58 WeakPolarHBondContact O-CB 3.33Å; A54-R58 PolarHBondContact O-N 3.3Å |
| 55 | V | 74.8 | Confident | 69.4 | Low | 89 Ų | 89 | 60.3 Ų | 60.3 | 54% | 0.539 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.3 | -48.1 | 174.4 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | E51 A53 R57 R58 E59 | E51-V55 WeakPolarHBondContact O-CG2 3.49Å; E51-V55 PolarHBondContact O-N 2.84Å; A53-V55 PolarHBondContact O-N 3.28Å; V55-R57 VanDerWaalsContact C-N 3.26Å; V55-R57 PolarHBondContact O-N 3.27Å; V55-R58 PolarHBondContact O-N 2.63Å; V55-E59 PolarHBondContact O-N 3.19Å |
| 56 | L | 73.3 | Confident | 69 | Low | 11 Ų | 11 | 58.9 Ų | 58.9 | 6% | 0.058 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.5 | -30.4 | 178.1 | -174.5 | 65.9 | 0 | 0 | 0 | 112.3 | Y37 L41 I44 S52 A53 A60 | Y37-L56 HydrophobicContact CE1-CD1 3.92Å; L41-L56 HydrophobicContact CD2-CB 4.11Å; L41-L56 HydrophobicContact CD2-CD2 4.38Å; L41-L56 HydrophobicContact CD2-CG 4.3Å; L41-L56 HydrophobicContact CG-CD2 4.15Å; L41-L56 HydrophobicContact CG-CG 4.26Å; I44-L56 HydrophobicContact CD1-CD2 3.61Å; S52-L56 WeakPolarHBondContact O-CB 3.46Å; S52-L56 PolarHBondContact O-N 2.66Å; A53-L56 PolarHBondContact O-N 3.27Å; L56-A60 WeakPolarHBondContact O-CB 3.43Å; L56-A60 PolarHBondContact O-N 2.88Å |
| 57 | R | 78.4 | Confident | 68.2 | Low | 79 Ų | 79 | 59.8 Ų | 59.8 | 30% | 0.298 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.3 | -49.4 | 174.3 | -177.9 | 174.8 | 171.8 | 155.5 | 6.8 | 109.7 | L41 A53 A54 V55 E59 A60 E61 F82 | L41-R57 HydrophobicContact CD1-CB 4.34Å; L41-R57 HydrophobicContact CD2-CB 3.74Å; A53-R57 WeakPolarHBondContact O-CB 3.25Å; A53-R57 PolarHBondContact O-N 3.17Å; A54-R57 PolarHBondContact O-N 3.35Å; V55-R57 VanDerWaalsContact C-N 3.26Å; V55-R57 PolarHBondContact O-N 3.27Å; R57-E59 VanDerWaalsContact C-N 3.34Å; R57-E59 PolarHBondContact O-N 3.46Å; R57-A60 CarbonylContact O-C 3.35Å; R57-A60 PolarHBondContact O-N 2.98Å; R57-A60 VanDerWaalsContact O-N 3.08Å; R57-E61 HydrophobicContact CG-CG 4.33Å; R57-E61 IonicContact CZ-OE1 2.79Å; R57-E61 VanDerWaalsContact CZ-OE1 3.3Å; R57-E61 IonicContact NE-OE1 3.66Å; R57-E61 PolarHBondContact NE-OE1 2.96Å; R57-E61 IonicContact NE-OE2 2.93Å; R57-E61 IonicContact NH2-OE1 3.84Å; R57-E61 PolarHBondContact NH2-OE1 3.44Å; R57-E61 WeakPolarHBondContact O-CB 3.49Å; R57-E61 WeakPolarHBondContact O-CG 3.32Å; R57-E61 PolarHBondContact O-N 2.74Å; R57-F82 VanDerWaalsContact CZ-CD1 3.46Å; R57-F82 VanDerWaalsContact NH1-CD1 3.28Å |
| 58 | R | 74.4 | Confident | 67.4 | Low | 188 Ų | 188 | 62.3 Ų | 62.3 | 71% | 0.709 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -60.7 | -41.5 | 176.5 | -169.2 | 176.4 | -176.1 | 174.6 | 1.8 | 111.8 | A54 V55 L62 | A54-R58 WeakPolarHBondContact O-CB 3.33Å; A54-R58 PolarHBondContact O-N 3.3Å; V55-R58 PolarHBondContact O-N 2.63Å; R58-L62 WeakPolarHBondContact O-CB 3.48Å; R58-L62 PolarHBondContact O-N 2.97Å |
| 59 | E | 67.2 | Low | 66.1 | Low | 53 Ų | 53 | 65.6 Ų | 65.6 | 25% | 0.248 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.1 | -49.3 | 169.5 | -75.7 | -171 | 173.7 | 0 | 0 | 111.3 | V55 R57 E61 L62 F63 S128 | V55-E59 PolarHBondContact O-N 3.19Å; R57-E59 VanDerWaalsContact C-N 3.34Å; R57-E59 PolarHBondContact O-N 3.46Å; E59-E61 PolarHBondContact O-N 3.12Å; E59-L62 PolarHBondContact O-N 3.04Å; E59-F63 HydrophobicContact CB-CD2 4.29Å; E59-F63 WeakPolarHBondContact O-CB 3.39Å; E59-F63 WeakPolarHBondContact O-CD2 3.28Å; E59-F63 PolarHBondContact O-N 3.25Å; E59-S128 VanDerWaalsContact OE2-CB 3.26Å; E59-S128 WeakPolarHBondContact OE2-CB 3.22Å |
| 60 | A | 68.3 | Low | 64.7 | Low | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -67.1 | -33.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y37 L41 L56 R57 G64 I65 F66 | Y37-A60 HydrophobicContact CD1-CB 4Å; Y37-A60 HydrophobicContact CE1-CB 4.41Å; L41-A60 HydrophobicContact CD1-CB 4.2Å; L56-A60 WeakPolarHBondContact O-CB 3.43Å; L56-A60 PolarHBondContact O-N 2.88Å; R57-A60 CarbonylContact O-C 3.35Å; R57-A60 PolarHBondContact O-N 2.98Å; R57-A60 VanDerWaalsContact O-N 3.08Å; A60-G64 PolarHBondContact O-N 3.19Å; A60-I65 HydrophobicContact CB-CB 4.11Å; A60-I65 HydrophobicContact CB-CD1 4.03Å; A60-I65 HydrophobicContact CB-CG1 4.34Å; A60-I65 WeakPolarHBondContact O-CB 3.23Å; A60-I65 PolarHBondContact O-N 2.96Å; A60-F66 HydrophobicContact CB-CD2 4.12Å; A60-F66 HydrophobicContact CB-CE2 3.57Å; A60-F66 HydrophobicContact CB-CZ 4.4Å |
| 61 | E | 70.5 | Confident | 63 | Low | 91 Ų | 91 | 70 Ų | 70 | 43% | 0.425 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -73.3 | -46 | 172.9 | -70.9 | 168.8 | 161.2 | 0 | 0 | 110.6 | R57 E59 F63 G64 F66 | R57-E61 HydrophobicContact CG-CG 4.33Å; R57-E61 IonicContact CZ-OE1 2.79Å; R57-E61 VanDerWaalsContact CZ-OE1 3.3Å; R57-E61 IonicContact NE-OE1 3.66Å; R57-E61 PolarHBondContact NE-OE1 2.96Å; R57-E61 IonicContact NE-OE2 2.93Å; R57-E61 IonicContact NH2-OE1 3.84Å; R57-E61 PolarHBondContact NH2-OE1 3.44Å; R57-E61 WeakPolarHBondContact O-CB 3.49Å; R57-E61 WeakPolarHBondContact O-CG 3.32Å; R57-E61 PolarHBondContact O-N 2.74Å; E59-E61 PolarHBondContact O-N 3.12Å; E61-F63 VanDerWaalsContact C-N 3.3Å; E61-F63 PolarHBondContact O-N 2.97Å; E61-G64 PolarHBondContact O-N 3.25Å; E61-G64 VanDerWaalsContact O-N 3.15Å; E61-F66 HydrophobicContact CG-CD2 4.44Å |
| 62 | L | 63.6 | Low | 61.2 | Low | 123 Ų | 123 | 69.1 Ų | 69.1 | 64% | 0.644 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -65.8 | -29.2 | 179.1 | -169.6 | 152.4 | 0 | 0 | 0 | 113.2 | R58 E59 | R58-L62 WeakPolarHBondContact O-CB 3.48Å; R58-L62 PolarHBondContact O-N 2.97Å; E59-L62 PolarHBondContact O-N 3.04Å |
| 63 | F | 59.1 | Low | 59.7 | Low | 78 Ų | 78 | 70.1 Ų | 70.1 | 34% | 0.342 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 16.3 | 174.4 | -63 | -61.6 | 0 | 0 | 0 | 114.2 | E59 E61 I65 A125 V126 | E59-F63 HydrophobicContact CB-CD2 4.29Å; E59-F63 WeakPolarHBondContact O-CB 3.39Å; E59-F63 WeakPolarHBondContact O-CD2 3.28Å; E59-F63 PolarHBondContact O-N 3.25Å; E61-F63 VanDerWaalsContact C-N 3.3Å; E61-F63 PolarHBondContact O-N 2.97Å; F63-I65 VanDerWaalsContact C-N 3.32Å; F63-I65 HydrophobicContact CB-CG1 4.42Å; F63-I65 PolarHBondContact O-N 2.97Å; F63-A125 HydrophobicContact CE1-CB 4.15Å; F63-A125 WeakPolarHBondContact CZ-O 3.42Å; F63-V126 HydrophobicContact CB-CG2 4.25Å; F63-V126 HydrophobicContact CD1-CG2 3.66Å; F63-V126 HydrophobicContact CD2-CB 4.26Å; F63-V126 HydrophobicContact CD2-CG1 3.61Å; F63-V126 HydrophobicContact CD2-CG2 3.67Å; F63-V126 HydrophobicContact CE1-CG2 3.85Å; F63-V126 HydrophobicContact CE2-CB 4.22Å; F63-V126 HydrophobicContact CE2-CG1 3.63Å; F63-V126 HydrophobicContact CE2-CG2 3.89Å; F63-V126 HydrophobicContact CG-CG1 4.35Å; F63-V126 HydrophobicContact CG-CG2 3.58Å; F63-V126 HydrophobicContact CZ-CB 4.49Å; F63-V126 HydrophobicContact CZ-CG1 4.35Å; F63-V126 HydrophobicContact CZ-CG2 3.96Å |
| 64 | G | 65.4 | Low | 57.7 | Low | 34 Ų | 34 | 80.9 Ų | 80.9 | 35% | 0.351 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | 26.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | A60 E61 F66 S67 | A60-G64 PolarHBondContact O-N 3.19Å; E61-G64 PolarHBondContact O-N 3.25Å; E61-G64 VanDerWaalsContact O-N 3.15Å; G64-F66 VanDerWaalsContact C-N 3.3Å; G64-F66 PolarHBondContact O-N 3.35Å; G64-S67 VanDerWaalsContact CA-OG 3.3Å; G64-S67 WeakPolarHBondContact CA-OG 3.45Å; G64-S67 PolarHBondContact O-N 2.82Å; G64-S67 PolarHBondContact O-OG 2.9Å |
| 65 | I | 64.5 | Low | 55.7 | Low | 23 Ų | 23 | 81.6 Ų | 81.6 | 12% | 0.118 | 47% | 0.468 | C | S | . | . | S | Bend | trans | -71.6 | -26.6 | -174.8 | -56.5 | -174.6 | 0 | 0 | 0 | 111.9 | F33 T34 Y37 A60 F63 | F33-I65 HydrophobicContact CD1-CG2 4.14Å; F33-I65 HydrophobicContact CE1-CD1 4.3Å; F33-I65 HydrophobicContact CE1-CG2 3.99Å; T34-I65 WeakPolarHBondContact CB-O 3.31Å; T34-I65 WeakPolarHBondContact CG2-O 3.26Å; T34-I65 PolarHBondContact OG1-O 3.13Å; Y37-I65 HydrophobicContact CD1-CD1 3.79Å; Y37-I65 HydrophobicContact CD1-CG2 4.15Å; Y37-I65 HydrophobicContact CD2-CD1 4.33Å; Y37-I65 HydrophobicContact CD2-CG2 4Å; Y37-I65 HydrophobicContact CE1-CD1 3.5Å; Y37-I65 HydrophobicContact CE2-CD1 4.1Å; Y37-I65 HydrophobicContact CG-CD1 4.19Å; Y37-I65 HydrophobicContact CG-CG2 3.7Å; A60-I65 HydrophobicContact CB-CB 4.11Å; A60-I65 HydrophobicContact CB-CD1 4.03Å; A60-I65 HydrophobicContact CB-CG1 4.34Å; A60-I65 WeakPolarHBondContact O-CB 3.23Å; A60-I65 PolarHBondContact O-N 2.96Å; F63-I65 VanDerWaalsContact C-N 3.32Å; F63-I65 HydrophobicContact CB-CG1 4.42Å; F63-I65 PolarHBondContact O-N 2.97Å |
| 66 | F | 63.5 | Low | 54 | Low | 8 Ų | 8 | 80.3 Ų | 80.3 | 4% | 0.035 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -97.2 | -11.2 | 177.7 | -65.1 | -62.4 | 0 | 0 | 0 | 114.7 | T34 L41 A60 E61 G64 S68 N80 F82 F85 | T34-F66 HydrophobicContact CG2-CD1 3.63Å; T34-F66 HydrophobicContact CG2-CE1 4.03Å; L41-F66 HydrophobicContact CD1-CE2 3.67Å; L41-F66 HydrophobicContact CD1-CZ 3.63Å; A60-F66 HydrophobicContact CB-CD2 4.12Å; A60-F66 HydrophobicContact CB-CE2 3.57Å; A60-F66 HydrophobicContact CB-CZ 4.4Å; E61-F66 HydrophobicContact CG-CD2 4.44Å; G64-F66 VanDerWaalsContact C-N 3.3Å; G64-F66 PolarHBondContact O-N 3.35Å; F66-S68 PolarHBondContact O-N 3.12Å; F66-N80 CarbonylContact O-C 3.53Å; F66-F82 HydrophobicContact CD2-CB 4.32Å; F66-F82 HydrophobicContact CD2-CD2 4.26Å; F66-F82 HydrophobicContact CE1-CD2 4.15Å; F66-F82 AromaticContact CE2-CD2 3.74Å; F66-F82 HydrophobicContact CE2-CD2 3.74Å; F66-F82 HydrophobicContact CE2-CE2 4.49Å; F66-F82 HydrophobicContact CG-CB 4.46Å; F66-F82 AromaticContact CZ-CD2 3.7Å; F66-F82 HydrophobicContact CZ-CD2 3.7Å; F66-F82 HydrophobicContact CZ-CE2 4.21Å; F66-F85 HydrophobicContact CD1-CE2 4.45Å |
| 67 | S | 54.8 | Low | 52.4 | Low | 74 Ų | 74 | 86.5 Ų | 86.5 | 52% | 0.517 | 50% | 0.499 | S | S | . | . | trans | -84.7 | 93.9 | 177.9 | 50.7 | 0 | 0 | 0 | 0 | 110.5 | G64 | G64-S67 VanDerWaalsContact CA-OG 3.3Å; G64-S67 WeakPolarHBondContact CA-OG 3.45Å; G64-S67 PolarHBondContact O-N 2.82Å; G64-S67 PolarHBondContact O-OG 2.9Å | ||
| 68 | S | 50.4 | Low | 51 | Low | 53 Ų | 53 | 85.7 Ų | 85.7 | 37% | 0.371 | 50% | 0.497 | S | S | . | . | trans | -64.7 | 141.8 | 168.1 | 60.8 | 0 | 0 | 0 | 0 | 110.3 | F66 T70 N80 | F66-S68 PolarHBondContact O-N 3.12Å; S68-T70 PolarHBondContact O-N 3.28Å; S68-N80 PolarHBondContact OG-OD1 3.4Å | ||
| 69 | S | 39.4 | Very low | 49.5 | Very low | 107 Ų | 107 | 77.9 Ų | 77.9 | 75% | 0.748 | 48% | 0.475 | S | S | * | . | trans | -80.3 | 121.3 | -179.8 | -166.8 | 0 | 0 | 0 | 0 | 110 | S71 | S69-S71 VanDerWaalsContact C-N 3.28Å; S69-S71 PolarHBondContact O-N 3.47Å | ||
| 70 | T | 33.8 | Very low | 49 | Very low | 119 Ų | 119 | 79.4 Ų | 79.4 | 73% | 0.73 | 48% | 0.484 | S | S | * | . | trans | -77.3 | 74.6 | 179.6 | 53.4 | 0 | 0 | 0 | 0 | 111.4 | S68 | S68-T70 PolarHBondContact O-N 3.28Š| ||
| 71 | S | 37.6 | Very low | 48.6 | Very low | 84 Ų | 84 | 80.3 Ų | 80.3 | 59% | 0.587 | 49% | 0.494 | S | S | * | . | trans | -103.7 | -37.4 | -179.2 | 60.1 | 0 | 0 | 0 | 0 | 114.7 | S69 | S69-S71 VanDerWaalsContact C-N 3.28Å; S69-S71 PolarHBondContact O-N 3.47Å | ||
| 72 | N | 33 | Very low | 48.5 | Very low | 103 Ų | 103 | 76.5 Ų | 76.5 | 55% | 0.551 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -106.7 | 18.9 | -155.6 | -72 | 15.8 | 0 | 0 | 0 | 116.4 | R74 E679 | N72-R74 PolarHBondContact O-N 3.09Å; N72-E679 PolarHBondContact ND2-OE1 2.99Å; N72-E679 PolarHBondContact OD1-OE1 2.83Å |
| 73 | G | 34.6 | Very low | 48.8 | Very low | 88 Ų | 88 | 73.5 Ų | 73.5 | 91% | 0.907 | 47% | 0.466 | S | S | * | . | S | Bend | trans | 66.7 | -13.3 | 163.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||
| 74 | R | 30.7 | Very low | 49 | Very low | 233 Ų | 233 | 71.8 Ų | 71.8 | 88% | 0.879 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -88.6 | 140 | 165.1 | -66.6 | 178.9 | 175.2 | 175 | -1 | 108.6 | N72 A76 | N72-R74 PolarHBondContact O-N 3.09Å; R74-A76 PolarHBondContact O-N 3.23Å |
| 75 | G | 33.3 | Very low | 49 | Very low | 75 Ų | 75 | 71 Ų | 71 | 77% | 0.773 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 131.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | L77 | G75-L77 PolarHBondContact O-N 3.16Š|
| 76 | A | 38.8 | Very low | 49.2 | Very low | 62 Ų | 62 | 72.1 Ų | 72.1 | 51% | 0.512 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 134.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | R74 Y78 | R74-A76 PolarHBondContact O-N 3.23Å; A76-Y78 WeakPolarHBondContact CB-O 3.37Å; A76-Y78 PolarHBondContact O-N 2.93Å |
| 77 | L | 40 | Very low | 49.2 | Very low | 141 Ų | 141 | 79.6 Ų | 79.6 | 74% | 0.738 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -63.7 | -22.7 | 178.8 | -72 | 167.6 | 0 | 0 | 0 | 112.3 | G75 | G75-L77 PolarHBondContact O-N 3.16Š|
| 78 | Y | 47.1 | Very low | 49.5 | Very low | 63 Ų | 63 | 80.2 Ų | 80.2 | 25% | 0.247 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -129.8 | 133.8 | 173.6 | -46 | -67.6 | 0 | 0 | 0 | 107.9 | A76 F85 F88 | A76-Y78 WeakPolarHBondContact CB-O 3.37Å; A76-Y78 PolarHBondContact O-N 2.93Å; Y78-F85 HydrophobicContact CD2-CE1 4.24Å; Y78-F85 HydrophobicContact CD2-CZ 4.3Å; Y78-F85 HydrophobicContact CG-CD1 4.46Å; Y78-F85 HydrophobicContact CG-CE1 4.1Å; Y78-F85 HydrophobicContact CG-CZ 4.17Å; Y78-F88 HydrophobicContact CD1-CB 4.12Å; Y78-F88 HydrophobicContact CD1-CD1 4.06Å; Y78-F88 HydrophobicContact CD1-CD2 4.32Å; Y78-F88 AromaticContact CD1-CG 3.92Å; Y78-F88 HydrophobicContact CD1-CG 3.92Å; Y78-F88 HydrophobicContact CE1-CB 4.26Å; Y78-F88 AromaticContact CE1-CD1 3.47Å; Y78-F88 HydrophobicContact CE1-CD1 3.47Å; Y78-F88 VanDerWaalsContact CE1-CD1 3.47Å; Y78-F88 AromaticContact CE1-CD2 3.74Å; Y78-F88 HydrophobicContact CE1-CD2 3.74Å; Y78-F88 AromaticContact CE1-CE1 3.55Å; Y78-F88 HydrophobicContact CE1-CE1 3.55Å; Y78-F88 AromaticContact CE1-CE2 3.83Å; Y78-F88 HydrophobicContact CE1-CE2 3.83Å; Y78-F88 AromaticContact CE1-CG 3.55Å; Y78-F88 HydrophobicContact CE1-CG 3.55Å; Y78-F88 AromaticContact CE1-CZ 3.74Å; Y78-F88 HydrophobicContact CE1-CZ 3.74Å |
| 79 | G | 44.7 | Very low | 49.9 | Very low | 24 Ų | 24 | 78.6 Ų | 78.6 | 25% | 0.247 | 46% | 0.46 | C | S | . | . | trans | -68.3 | 166.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G81 D84 | G79-G81 PolarHBondContact O-N 2.85Å; G79-D84 WeakPolarHBondContact CA-OD2 3.41Å; G79-D84 VanDerWaalsContact N-CB 3.35Å | ||
| 80 | N | 55.8 | Low | 50.9 | Low | 84 Ų | 84 | 80.4 Ų | 80.4 | 45% | 0.449 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -74.1 | 18.8 | -165 | -57.2 | 3.3 | 0 | 0 | 0 | 114.8 | F66 S68 | F66-N80 CarbonylContact O-C 3.53Å; S68-N80 PolarHBondContact OG-OD1 3.4Å |
| 81 | G | 60.5 | Low | 52 | Low | 20 Ų | 20 | 78.8 Ų | 78.8 | 21% | 0.206 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -145.9 | 158.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | G79 S83 D84 | G79-G81 PolarHBondContact O-N 2.85Å; G81-S83 PolarHBondContact O-N 2.82Å; G81-S83 VanDerWaalsContact O-N 3.09Å; G81-D84 PolarHBondContact O-N 3.3Å |
| 82 | F | 68.3 | Low | 52.8 | Low | 11 Ų | 11 | 79.2 Ų | 79.2 | 5% | 0.048 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -49.4 | -37.7 | 176.3 | -174.7 | -93.4 | 0 | 0 | 0 | 112.8 | Y38 L41 R57 F66 D84 F85 E86 | Y38-F82 HydrophobicContact CD2-CD2 4Å; Y38-F82 AromaticContact CD2-CE2 3.74Å; Y38-F82 HydrophobicContact CD2-CE2 3.74Å; Y38-F82 HydrophobicContact CD2-CZ 4.35Å; Y38-F82 HydrophobicContact CE2-CD2 4.38Å; Y38-F82 HydrophobicContact CE2-CE2 4.01Å; Y38-F82 HydrophobicContact CE2-CZ 4.17Å; L41-F82 HydrophobicContact CB-CE2 3.79Å; L41-F82 HydrophobicContact CB-CZ 4.29Å; L41-F82 HydrophobicContact CD1-CD2 4.49Å; L41-F82 HydrophobicContact CD1-CE2 4.08Å; L41-F82 HydrophobicContact CG-CE2 4.45Å; R57-F82 VanDerWaalsContact CZ-CD1 3.46Å; R57-F82 VanDerWaalsContact NH1-CD1 3.28Å; F66-F82 HydrophobicContact CD2-CB 4.32Å; F66-F82 HydrophobicContact CD2-CD2 4.26Å; F66-F82 HydrophobicContact CE1-CD2 4.15Å; F66-F82 AromaticContact CE2-CD2 3.74Å; F66-F82 HydrophobicContact CE2-CD2 3.74Å; F66-F82 HydrophobicContact CE2-CE2 4.49Å; F66-F82 HydrophobicContact CG-CB 4.46Å; F66-F82 AromaticContact CZ-CD2 3.7Å; F66-F82 HydrophobicContact CZ-CD2 3.7Å; F66-F82 HydrophobicContact CZ-CE2 4.21Å; F82-D84 PolarHBondContact O-N 2.97Å; F82-F85 PolarHBondContact O-N 2.72Å; F82-E86 HydrophobicContact CD1-CG 4.02Å; F82-E86 HydrophobicContact CE1-CG 3.79Å; F82-E86 WeakPolarHBondContact CE1-OE1 3.11Å; F82-E86 WeakPolarHBondContact CE1-OE2 3.49Å; F82-E86 PolarHBondContact O-N 3.13Å; F82-E86 VanDerWaalsContact O-N 3.16Å |
| 83 | S | 68.9 | Low | 53.1 | Low | 60 Ų | 60 | 78.2 Ų | 78.2 | 42% | 0.42 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -54.8 | -31.5 | 176.9 | -43.4 | 0 | 0 | 0 | 0 | 114.3 | G81 E86 R87 | G81-S83 PolarHBondContact O-N 2.82Å; G81-S83 VanDerWaalsContact O-N 3.09Å; S83-E86 PolarHBondContact O-N 3.23Å; S83-R87 WeakPolarHBondContact O-CG 3.34Å; S83-R87 PolarHBondContact O-N 2.92Å |
| 84 | D | 64.7 | Low | 53.4 | Low | 41 Ų | 41 | 76.7 Ų | 76.7 | 22% | 0.219 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -84.3 | -30.3 | -176.3 | -62.8 | -54 | 0 | 0 | 0 | 112.4 | G79 G81 F82 E86 R87 F88 | G79-D84 WeakPolarHBondContact CA-OD2 3.41Å; G79-D84 VanDerWaalsContact N-CB 3.35Å; G81-D84 PolarHBondContact O-N 3.3Å; F82-D84 PolarHBondContact O-N 2.97Å; D84-E86 VanDerWaalsContact C-N 3.32Å; D84-R87 PolarHBondContact O-N 2.96Å; D84-R87 WeakPolarHBondContact OD1-CD 3.48Å; D84-R87 IonicContact OD1-CZ 3.68Å; D84-R87 IonicContact OD1-NE 2.87Å; D84-R87 IonicContact OD1-NH1 2.69Å; D84-R87 PolarHBondContact OD1-NH1 2.79Å; D84-F88 WeakPolarHBondContact O-CB 3.47Å; D84-F88 PolarHBondContact O-N 2.69Å |
| 85 | F | 65 | Low | 53.8 | Low | 17 Ų | 17 | 70.3 Ų | 70.3 | 8% | 0.075 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -64.6 | -37.2 | 164.3 | -73.3 | -99.8 | 0 | 0 | 0 | 111.1 | T34 Y38 F66 Y78 F82 F88 E89 | T34-F85 HydrophobicContact CG2-CE2 4.08Å; T34-F85 HydrophobicContact CG2-CZ 3.75Å; Y38-F85 HydrophobicContact CD1-CB 4.1Å; Y38-F85 AromaticContact CD1-CD1 3.96Å; Y38-F85 HydrophobicContact CD1-CD1 3.96Å; Y38-F85 HydrophobicContact CD1-CG 4.4Å; Y38-F85 HydrophobicContact CD2-CB 3.44Å; Y38-F85 VanDerWaalsContact CD2-CB 3.44Å; Y38-F85 HydrophobicContact CD2-CD1 4.28Å; Y38-F85 AromaticContact CD2-CG 3.97Å; Y38-F85 HydrophobicContact CD2-CG 3.97Å; Y38-F85 HydrophobicContact CE1-CB 3.97Å; Y38-F85 HydrophobicContact CE1-CD1 4.47Å; Y38-F85 HydrophobicContact CE2-CB 3.29Å; Y38-F85 HydrophobicContact CE2-CG 4.31Å; Y38-F85 HydrophobicContact CG-CB 3.85Å; Y38-F85 AromaticContact CG-CD1 3.85Å; Y38-F85 HydrophobicContact CG-CD1 3.85Å; Y38-F85 HydrophobicContact CG-CG 4.02Å; Y38-F85 PolarHBondContact OH-O 2.89Å; F66-F85 HydrophobicContact CD1-CE2 4.45Å; Y78-F85 HydrophobicContact CD2-CE1 4.24Å; Y78-F85 HydrophobicContact CD2-CZ 4.3Å; Y78-F85 HydrophobicContact CG-CD1 4.46Å; Y78-F85 HydrophobicContact CG-CE1 4.1Å; Y78-F85 HydrophobicContact CG-CZ 4.17Å; F82-F85 PolarHBondContact O-N 2.72Å; F85-F88 PolarHBondContact O-N 3.27Å; F85-E89 PolarHBondContact O-N 3.45Å |
| 86 | E | 67.9 | Low | 54.4 | Low | 48 Ų | 48 | 69.5 Ų | 69.5 | 22% | 0.224 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -67.7 | -39.4 | 173.8 | -64.5 | -165.1 | 117.6 | 0 | 0 | 113.1 | Y38 R42 F82 S83 D84 F88 E89 Q90 | Y38-E86 HydrophobicContact CE2-CG 4.06Å; R42-E86 IonicContact CZ-OE1 2.95Å; R42-E86 IonicContact NH1-OE1 3.71Å; R42-E86 PolarHBondContact NH1-OE1 2.99Å; F82-E86 HydrophobicContact CD1-CG 4.02Å; F82-E86 HydrophobicContact CE1-CG 3.79Å; F82-E86 WeakPolarHBondContact CE1-OE1 3.11Å; F82-E86 WeakPolarHBondContact CE1-OE2 3.49Å; F82-E86 PolarHBondContact O-N 3.13Å; F82-E86 VanDerWaalsContact O-N 3.16Å; S83-E86 PolarHBondContact O-N 3.23Å; D84-E86 VanDerWaalsContact C-N 3.32Å; E86-F88 VanDerWaalsContact C-N 3.33Å; E86-E89 PolarHBondContact O-N 3.42Å; E86-Q90 VanDerWaalsContact O-CG 3.26Å; E86-Q90 WeakPolarHBondContact O-CG 3.3Å; E86-Q90 PolarHBondContact O-N 3.27Å |
| 87 | R | 64.4 | Low | 55 | Low | 165 Ų | 165 | 72.1 Ų | 72.1 | 62% | 0.623 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -59.8 | -42.9 | 170.1 | -75.6 | 166.7 | 171.4 | 162.2 | -5.1 | 111.7 | S83 D84 Q90 S91 | S83-R87 WeakPolarHBondContact O-CG 3.34Å; S83-R87 PolarHBondContact O-N 2.92Å; D84-R87 PolarHBondContact O-N 2.96Å; D84-R87 WeakPolarHBondContact OD1-CD 3.48Å; D84-R87 IonicContact OD1-CZ 3.68Å; D84-R87 IonicContact OD1-NE 2.87Å; D84-R87 IonicContact OD1-NH1 2.69Å; D84-R87 PolarHBondContact OD1-NH1 2.79Å; R87-Q90 PolarHBondContact O-N 3.03Å; R87-S91 PolarHBondContact O-N 3.02Å; R87-S91 VanDerWaalsContact O-N 3.09Å |
| 88 | F | 59.6 | Low | 55.4 | Low | 86 Ų | 86 | 73.2 Ų | 73.2 | 38% | 0.377 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.5 | -48.6 | 175.9 | 178.9 | -114 | 0 | 0 | 0 | 111.5 | Y78 D84 F85 E86 Q90 S91 I92 | Y78-F88 HydrophobicContact CD1-CB 4.12Å; Y78-F88 HydrophobicContact CD1-CD1 4.06Å; Y78-F88 HydrophobicContact CD1-CD2 4.32Å; Y78-F88 AromaticContact CD1-CG 3.92Å; Y78-F88 HydrophobicContact CD1-CG 3.92Å; Y78-F88 HydrophobicContact CE1-CB 4.26Å; Y78-F88 AromaticContact CE1-CD1 3.47Å; Y78-F88 HydrophobicContact CE1-CD1 3.47Å; Y78-F88 VanDerWaalsContact CE1-CD1 3.47Å; Y78-F88 AromaticContact CE1-CD2 3.74Å; Y78-F88 HydrophobicContact CE1-CD2 3.74Å; Y78-F88 AromaticContact CE1-CE1 3.55Å; Y78-F88 HydrophobicContact CE1-CE1 3.55Å; Y78-F88 AromaticContact CE1-CE2 3.83Å; Y78-F88 HydrophobicContact CE1-CE2 3.83Å; Y78-F88 AromaticContact CE1-CG 3.55Å; Y78-F88 HydrophobicContact CE1-CG 3.55Å; Y78-F88 AromaticContact CE1-CZ 3.74Å; Y78-F88 HydrophobicContact CE1-CZ 3.74Å; D84-F88 WeakPolarHBondContact O-CB 3.47Å; D84-F88 PolarHBondContact O-N 2.69Å; F85-F88 PolarHBondContact O-N 3.27Å; E86-F88 VanDerWaalsContact C-N 3.33Å; F88-Q90 VanDerWaalsContact C-N 3.28Å; F88-Q90 PolarHBondContact O-N 2.79Å; F88-S91 WeakPolarHBondContact O-CB 3.42Å; F88-S91 PolarHBondContact O-N 2.82Å; F88-S91 PolarHBondContact O-OG 3.42Å; F88-I92 HydrophobicContact CD1-CD1 4.08Å; F88-I92 HydrophobicContact CE1-CD1 3.69Å; F88-I92 HydrophobicContact CE2-CD1 4.29Å; F88-I92 HydrophobicContact CZ-CD1 3.81Å; F88-I92 HydrophobicContact CZ-CG1 4.5Å; F88-I92 WeakPolarHBondContact O-CG1 3.14Å |
| 89 | E | 59.2 | Low | 55.7 | Low | 20 Ų | 20 | 74.3 Ų | 74.3 | 9% | 0.093 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -59.7 | -37.8 | 176.9 | -160.1 | -155.1 | 108.2 | 0 | 0 | 112.3 | Y38 R42 F85 E86 S91 I92 R100 M104 | Y38-E89 PolarHBondContact OH-OE2 3.07Å; R42-E89 IonicContact CZ-OE1 3.84Å; R42-E89 IonicContact CZ-OE2 3.3Å; R42-E89 IonicContact NE-OE2 3.68Å; R42-E89 PolarHBondContact NE-OE2 3.1Å; R42-E89 IonicContact NH2-OE1 2.8Å; R42-E89 PolarHBondContact NH2-OE1 3.4Å; R42-E89 IonicContact NH2-OE2 2.76Å; R42-E89 PolarHBondContact NH2-OE2 3Å; F85-E89 PolarHBondContact O-N 3.45Å; E86-E89 PolarHBondContact O-N 3.42Å; E89-S91 VanDerWaalsContact C-N 3.28Å; E89-S91 PolarHBondContact O-N 2.94Å; E89-I92 PolarHBondContact O-N 3.42Å; E89-R100 PolarHBondContact O-NH2 3.38Å; E89-R100 IonicContact OE1-CZ 2.72Å; E89-R100 VanDerWaalsContact OE1-CZ 3.27Å; E89-R100 IonicContact OE1-NE 3.13Å; E89-R100 PolarHBondContact OE1-NE 2.81Å; E89-R100 IonicContact OE1-NH1 2.69Å; E89-R100 IonicContact OE1-NH2 3.63Å; E89-M104 WeakPolarHBondContact OE2-CE 3.41Å |
| 90 | Q | 60.6 | Low | 56.3 | Low | 144 Ų | 144 | 77.9 Ų | 77.9 | 67% | 0.673 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -66.6 | -26.2 | 175 | -71.5 | 171.8 | 20.1 | 0 | 0 | 113.2 | E86 R87 F88 | E86-Q90 VanDerWaalsContact O-CG 3.26Å; E86-Q90 WeakPolarHBondContact O-CG 3.3Å; E86-Q90 PolarHBondContact O-N 3.27Å; R87-Q90 PolarHBondContact O-N 3.03Å; F88-Q90 VanDerWaalsContact C-N 3.28Å; F88-Q90 PolarHBondContact O-N 2.79Å |
| 91 | S | 58.3 | Low | 56.3 | Low | 86 Ų | 86 | 76.5 Ų | 76.5 | 60% | 0.601 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -76.6 | -20.9 | 179 | 77 | 0 | 0 | 0 | 0 | 114.4 | R87 F88 E89 G93 | R87-S91 PolarHBondContact O-N 3.02Å; R87-S91 VanDerWaalsContact O-N 3.09Å; F88-S91 WeakPolarHBondContact O-CB 3.42Å; F88-S91 PolarHBondContact O-N 2.82Å; F88-S91 PolarHBondContact O-OG 3.42Å; E89-S91 VanDerWaalsContact C-N 3.28Å; E89-S91 PolarHBondContact O-N 2.94Å; S91-G93 PolarHBondContact O-N 2.83Å; S91-G93 VanDerWaalsContact O-N 3.12Å |
| 92 | I | 53.5 | Low | 56.3 | Low | 93 Ų | 93 | 78.6 Ų | 78.6 | 48% | 0.477 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -89.5 | 74.6 | -175.8 | -50.3 | 162.8 | 0 | 0 | 0 | 109.4 | F88 E89 G94 | F88-I92 HydrophobicContact CD1-CD1 4.08Å; F88-I92 HydrophobicContact CE1-CD1 3.69Å; F88-I92 HydrophobicContact CE2-CD1 4.29Å; F88-I92 HydrophobicContact CZ-CD1 3.81Å; F88-I92 HydrophobicContact CZ-CG1 4.5Å; F88-I92 WeakPolarHBondContact O-CG1 3.14Å; E89-I92 PolarHBondContact O-N 3.42Å; I92-G94 PolarHBondContact O-N 3.17Å; I92-G94 VanDerWaalsContact O-N 3.12Å |
| 93 | G | 39.6 | Very low | 56.1 | Low | 81 Ų | 81 | 82.3 Ų | 82.3 | 84% | 0.835 | 47% | 0.468 | S | S | * | . | trans | -69.6 | 102 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | S91 | S91-G93 PolarHBondContact O-N 2.83Å; S91-G93 VanDerWaalsContact O-N 3.12Å | ||
| 94 | G | 41.2 | Very low | 55.6 | Low | 57 Ų | 57 | 80.8 Ų | 80.8 | 59% | 0.588 | 46% | 0.455 | S | S | * | . | trans | 137.8 | 176.8 | 163 | 0 | 0 | 0 | 0 | 0 | 114.1 | I92 | I92-G94 PolarHBondContact O-N 3.17Å; I92-G94 VanDerWaalsContact O-N 3.12Å | ||
| 95 | P | 38.3 | Very low | 55.4 | Low | 99 Ų | 99 | 81.2 Ų | 81.2 | 64% | 0.643 | 45% | 0.454 | S | S | * | . | S | Bend | cis | -108.6 | 139.8 | -37.1 | 35.9 | -25.1 | 0 | 0 | 0 | 111.7 | ||
| 96 | A | 46.4 | Very low | 55.4 | Low | 58 Ų | 58 | 83.7 Ų | 83.7 | 48% | 0.479 | 47% | 0.468 | S | S | . | . | trans | 59.4 | 134 | 175.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | E98 N99 | A96-E98 PolarHBondContact O-N 3.04Å; A96-N99 PolarHBondContact O-N 2.95Å | ||
| 97 | P | 51.1 | Low | 55.2 | Low | 117 Ų | 117 | 85.5 Ų | 85.5 | 76% | 0.76 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65.5 | -25.2 | -179.6 | 27.8 | -34.7 | 0 | 0 | 0 | 113.2 | N99 | P97-N99 PolarHBondContact O-N 3.1Å |
| 98 | E | 48 | Very low | 54.9 | Low | 163 Ų | 163 | 78.6 Ų | 78.6 | 76% | 0.762 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -67.7 | -33.6 | -176.7 | -62.4 | 172.7 | -176.2 | 0 | 0 | 112.9 | A96 | A96-E98 PolarHBondContact O-N 3.04Å |
| 99 | N | 53.5 | Low | 55.1 | Low | 86 Ų | 86 | 75.5 Ų | 75.5 | 46% | 0.46 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -92.3 | -24 | -177.7 | -73 | -27.7 | 0 | 0 | 0 | 113.8 | A96 P97 L101 V102 D103 | A96-N99 PolarHBondContact O-N 2.95Å; P97-N99 PolarHBondContact O-N 3.1Å; N99-L101 PolarHBondContact O-N 3.48Å; N99-L101 VanDerWaalsContact O-N 3.13Å; N99-V102 CarbonylContact O-C 3.58Å; N99-V102 VanDerWaalsContact O-CA 3.31Å; N99-V102 WeakPolarHBondContact O-CA 3.28Å; N99-V102 VanDerWaalsContact O-CB 3.25Å; N99-V102 WeakPolarHBondContact O-CB 3.45Å; N99-V102 PolarHBondContact O-N 2.9Å; N99-D103 PolarHBondContact O-N 3.45Å |
| 100 | R | 58.2 | Low | 55.4 | Low | 100 Ų | 100 | 77.3 Ų | 77.3 | 38% | 0.377 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -55.9 | -38.1 | -175.2 | -154.6 | -179.5 | -160.9 | 161.6 | 5.4 | 112.7 | E89 D103 M104 | E89-R100 PolarHBondContact O-NH2 3.38Å; E89-R100 IonicContact OE1-CZ 2.72Å; E89-R100 VanDerWaalsContact OE1-CZ 3.27Å; E89-R100 IonicContact OE1-NE 3.13Å; E89-R100 PolarHBondContact OE1-NE 2.81Å; E89-R100 IonicContact OE1-NH1 2.69Å; E89-R100 IonicContact OE1-NH2 3.63Å; R100-D103 PolarHBondContact O-N 3.44Å; R100-M104 VanDerWaalsContact O-CG 3.28Å; R100-M104 WeakPolarHBondContact O-CG 3.11Å; R100-M104 PolarHBondContact O-N 3.49Å |
| 101 | L | 54.3 | Low | 55.1 | Low | 55 Ų | 55 | 71.8 Ų | 71.8 | 29% | 0.288 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 172.7 | -111.2 | 167.8 | 0 | 0 | 0 | 112.2 | L43 A46 N99 D103 Y105 | L43-L101 HydrophobicContact CD2-CD2 3.55Å; A46-L101 HydrophobicContact CB-CD1 4.41Å; A46-L101 HydrophobicContact CB-CD2 4.42Å; A46-L101 HydrophobicContact CB-CG 4.41Å; N99-L101 PolarHBondContact O-N 3.48Å; N99-L101 VanDerWaalsContact O-N 3.13Å; L101-D103 VanDerWaalsContact C-N 3.29Å; L101-D103 PolarHBondContact O-N 2.88Å; L101-Y105 VanDerWaalsContact O-CB 3.27Å; L101-Y105 WeakPolarHBondContact O-CB 3.09Å; L101-Y105 WeakPolarHBondContact O-CD1 3.11Å; L101-Y105 PolarHBondContact O-N 2.61Å |
| 102 | V | 62.4 | Low | 55.1 | Low | 63 Ų | 63 | 69.3 Ų | 69.3 | 38% | 0.382 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.8 | -38.7 | 176.2 | -173 | 0 | 0 | 0 | 0 | 110.7 | N99 N106 R1375 | N99-V102 CarbonylContact O-C 3.58Å; N99-V102 VanDerWaalsContact O-CA 3.31Å; N99-V102 WeakPolarHBondContact O-CA 3.28Å; N99-V102 VanDerWaalsContact O-CB 3.25Å; N99-V102 WeakPolarHBondContact O-CB 3.45Å; N99-V102 PolarHBondContact O-N 2.9Å; V102-N106 WeakPolarHBondContact O-CB 3.09Å; V102-N106 PolarHBondContact O-N 2.91Å; V102-N106 PolarHBondContact O-ND2 3.37Å; V102-N106 VanDerWaalsContact O-ND2 3.14Å; V102-R1375 PolarHBondContact O-NH2 2.96Å |
| 103 | D | 63.3 | Low | 55.4 | Low | 90 Ų | 90 | 67.4 Ų | 67.4 | 48% | 0.481 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -77 | -48.7 | -179.6 | -65.3 | -38.9 | 0 | 0 | 0 | 113.4 | N99 R100 L101 Y105 N106 H107 | N99-D103 PolarHBondContact O-N 3.45Å; R100-D103 PolarHBondContact O-N 3.44Å; L101-D103 VanDerWaalsContact C-N 3.29Å; L101-D103 PolarHBondContact O-N 2.88Å; D103-Y105 VanDerWaalsContact C-N 3.26Å; D103-Y105 PolarHBondContact O-N 3.43Å; D103-N106 CarbonylContact O-C 3.47Å; D103-N106 WeakPolarHBondContact O-CA 3.33Å; D103-N106 VanDerWaalsContact O-CB 3.3Å; D103-N106 WeakPolarHBondContact O-CB 3.26Å; D103-N106 PolarHBondContact O-N 3.26Å; D103-H107 PolarHBondContact O-N 2.87Å |
| 104 | M | 57.6 | Low | 56 | Low | 27 Ų | 27 | 68.4 Ų | 68.4 | 13% | 0.133 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -58 | -41.8 | 174.9 | -67.2 | -179.2 | 86.2 | 0 | 0 | 111.5 | L39 R42 L43 E89 R100 N106 H107 L108 | L39-M104 HydrophobicContact CD2-CE 4.18Å; R42-M104 HydrophobicContact CB-CE 3.43Å; R42-M104 VanDerWaalsContact CB-CE 3.43Å; R42-M104 HydrophobicContact CG-CE 3.85Å; L43-M104 HydrophobicContact CD2-CB 4.31Å; E89-M104 WeakPolarHBondContact OE2-CE 3.41Å; R100-M104 VanDerWaalsContact O-CG 3.28Å; R100-M104 WeakPolarHBondContact O-CG 3.11Å; R100-M104 PolarHBondContact O-N 3.49Å; M104-N106 VanDerWaalsContact C-N 3.32Å; M104-H107 CarbonylContact O-C 3.57Å; M104-H107 PolarHBondContact O-N 2.59Å; M104-H107 VanDerWaalsContact O-N 3.08Å; M104-L108 PolarHBondContact O-N 2.61Å |
| 105 | Y | 60.7 | Low | 56.4 | Low | 51 Ų | 51 | 75.5 Ų | 75.5 | 20% | 0.2 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -81.9 | -11.2 | 178.8 | 129 | -77.9 | 0 | 0 | 0 | 112.2 | L43 L101 D103 I109 R1375 S1376 T1377 | L43-Y105 HydrophobicContact CD2-CG 4.36Å; L101-Y105 VanDerWaalsContact O-CB 3.27Å; L101-Y105 WeakPolarHBondContact O-CB 3.09Å; L101-Y105 WeakPolarHBondContact O-CD1 3.11Å; L101-Y105 PolarHBondContact O-N 2.61Å; D103-Y105 VanDerWaalsContact C-N 3.26Å; D103-Y105 PolarHBondContact O-N 3.43Å; Y105-I109 PolarHBondContact O-N 2.65Å; Y105-R1375 VanDerWaalsContact C-CZ 3.47Å; Y105-R1375 HydrophobicContact CD2-CB 3.29Å; Y105-R1375 HydrophobicContact CD2-CG 3.5Å; Y105-R1375 VanDerWaalsContact CD2-CG 3.5Å; Y105-R1375 VanDerWaalsContact CD2-NE 3.33Å; Y105-R1375 VanDerWaalsContact CE1-CZ 3.44Å; Y105-R1375 VanDerWaalsContact CE1-NH2 3.3Å; Y105-R1375 HydrophobicContact CE2-CB 3.05Å; Y105-R1375 HydrophobicContact CE2-CG 3.6Å; Y105-R1375 HydrophobicContact CG-CB 4.32Å; Y105-R1375 HydrophobicContact CG-CG 4.08Å; Y105-R1375 WeakPolarHBondContact O-CG 3.45Å; Y105-R1375 VanDerWaalsContact O-CZ 3.28Å; Y105-R1375 PolarHBondContact O-NE 2.84Å; Y105-R1375 PolarHBondContact O-NH2 2.87Å; Y105-S1376 WeakPolarHBondContact CE2-O 3.44Å; Y105-S1376 PolarHBondContact OH-O 2.89Å; Y105-T1377 HydrophobicContact CD2-CG2 4.01Å; Y105-T1377 HydrophobicContact CE2-CG2 3.57Å |
| 106 | N | 64.9 | Low | 56.8 | Low | 68 Ų | 68 | 73 Ų | 73 | 36% | 0.364 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -77.7 | -23.7 | 160.2 | -89.5 | -30.1 | 0 | 0 | 0 | 112.2 | V102 D103 M104 I109 S110 R1375 | V102-N106 WeakPolarHBondContact O-CB 3.09Å; V102-N106 PolarHBondContact O-N 2.91Å; V102-N106 PolarHBondContact O-ND2 3.37Å; V102-N106 VanDerWaalsContact O-ND2 3.14Å; D103-N106 CarbonylContact O-C 3.47Å; D103-N106 WeakPolarHBondContact O-CA 3.33Å; D103-N106 VanDerWaalsContact O-CB 3.3Å; D103-N106 WeakPolarHBondContact O-CB 3.26Å; D103-N106 PolarHBondContact O-N 3.26Å; M104-N106 VanDerWaalsContact C-N 3.32Å; N106-I109 CarbonylContact O-C 3.6Å; N106-I109 WeakPolarHBondContact O-CB 3.48Å; N106-I109 VanDerWaalsContact O-CG2 3.24Å; N106-I109 WeakPolarHBondContact O-CG2 3.28Å; N106-S110 WeakPolarHBondContact O-CB 3.41Å; N106-S110 PolarHBondContact O-N 2.91Å; N106-R1375 VanDerWaalsContact OD1-CZ 3.29Å; N106-R1375 PolarHBondContact OD1-NH1 3.36Å; N106-R1375 PolarHBondContact OD1-NH2 3.01Å; N106-R1375 VanDerWaalsContact OD1-NH2 3.11Å |
| 107 | H | 63.7 | Low | 56.6 | Low | 87 Ų | 87 | 74.6 Ų | 74.6 | 40% | 0.403 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -92.9 | -23.2 | 177.4 | -168.7 | 56 | 0 | 0 | 0 | 113.4 | L39 D103 M104 I109 S110 L111 | L39-H107 HydrophobicContact CD1-CB 4.46Å; L39-H107 WeakPolarHBondContact CD1-CD2 3.27Å; D103-H107 PolarHBondContact O-N 2.87Å; M104-H107 CarbonylContact O-C 3.57Å; M104-H107 PolarHBondContact O-N 2.59Å; M104-H107 VanDerWaalsContact O-N 3.08Å; H107-I109 CarbonylContact O-C 3.45Å; H107-S110 CarbonylContact O-C 3.55Å; H107-S110 WeakPolarHBondContact O-CA 3.44Å; H107-S110 PolarHBondContact O-N 3Å; H107-L111 PolarHBondContact O-N 3.21Å |
| 108 | L | 59.5 | Low | 56.1 | Low | 19 Ų | 19 | 71.9 Ų | 71.9 | 10% | 0.099 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -92.7 | -7 | 160.3 | -173.5 | 138.8 | 0 | 0 | 0 | 114 | V36 L39 A40 L43 M104 T1374 | V36-L108 WeakPolarHBondContact O-CD1 3.26Å; L39-L108 HydrophobicContact CB-CB 3.96Å; L39-L108 HydrophobicContact CB-CD1 3.73Å; L39-L108 HydrophobicContact CB-CG 4.48Å; L39-L108 HydrophobicContact CD1-CB 4.31Å; A40-L108 HydrophobicContact CB-CD1 3.85Å; A40-L108 VanDerWaalsContact N-CD1 3.31Å; L43-L108 HydrophobicContact CD1-CB 3.71Å; L43-L108 HydrophobicContact CD1-CD1 4.21Å; L43-L108 HydrophobicContact CD1-CD2 3.91Å; L43-L108 HydrophobicContact CD1-CG 4.15Å; M104-L108 PolarHBondContact O-N 2.61Å; L108-T1374 PolarHBondContact O-OG1 2.82Å |
| 109 | I | 62.2 | Low | 55.5 | Low | 22 Ų | 22 | 67.5 Ų | 67.5 | 11% | 0.113 | 35% | 0.351 | C | S | . | . | H | α-helix | -54.2 | -82.4 | 125.2 | -84.3 | -170.3 | 0 | 0 | 0 | 105.6 | Y105 N106 H107 L111 C112 K113 K1373 T1374 R1375 | Y105-I109 PolarHBondContact O-N 2.65Å; N106-I109 CarbonylContact O-C 3.6Å; N106-I109 WeakPolarHBondContact O-CB 3.48Å; N106-I109 VanDerWaalsContact O-CG2 3.24Å; N106-I109 WeakPolarHBondContact O-CG2 3.28Å; H107-I109 CarbonylContact O-C 3.45Å; I109-L111 PolarHBondContact O-N 2.85Å; I109-C112 PolarHBondContact O-N 2.89Å; I109-C112 VanDerWaalsContact O-N 3.08Å; I109-K113 HydrophobicContact CG2-CD 4.18Å; I109-K1373 HydrophobicContact CB-CB 4.04Å; I109-K1373 HydrophobicContact CB-CD 4.37Å; I109-K1373 WeakPolarHBondContact CD1-O 3.16Å; I109-K1373 HydrophobicContact CG1-CB 3.85Å; I109-K1373 HydrophobicContact CG2-CB 3.94Å; I109-K1373 HydrophobicContact CG2-CD 3.75Å; I109-K1373 HydrophobicContact CG2-CG 4.27Å; I109-K1373 WeakPolarHBondContact O-CD 3.43Å; I109-K1373 WeakPolarHBondContact O-CE 3.38Å; I109-K1373 WeakPolarHBondContact O-CG 3.11Å; I109-T1374 WeakPolarHBondContact CA-OG1 3.39Å; I109-T1374 WeakPolarHBondContact CG1-OG1 3.38Å; I109-R1375 HydrophobicContact CD1-CG 4.19Å; I109-R1375 HydrophobicContact CG1-CG 3.65Å | |
| 110 | S | 65.2 | Low | 54.7 | Low | 57 Ų | 57 | 68.8 Ų | 68.8 | 40% | 0.399 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.6 | 15.6 | -153.6 | -128.4 | 0 | 0 | 0 | 0 | 122.5 | N106 H107 K1373 | N106-S110 WeakPolarHBondContact O-CB 3.41Å; N106-S110 PolarHBondContact O-N 2.91Å; H107-S110 CarbonylContact O-C 3.55Å; H107-S110 WeakPolarHBondContact O-CA 3.44Å; H107-S110 PolarHBondContact O-N 3Å; S110-K1373 VanDerWaalsContact O-CE 3.29Å; S110-K1373 WeakPolarHBondContact O-CE 3.28Å; S110-K1373 PolarHBondContact O-NZ 2.98Å; S110-K1373 PolarHBondContact OG-NZ 2.99Å |
| 111 | L | 56.3 | Low | 53.7 | Low | 29 Ų | 29 | 68.1 Ų | 68.1 | 15% | 0.152 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -50.4 | 153.9 | -61.7 | 157.2 | 0 | 0 | 0 | 115.2 | T35 V36 L39 H107 I109 K113 E114 K1373 | T35-L111 HydrophobicContact CG2-CD1 3.69Å; V36-L111 HydrophobicContact CG2-CB 3.5Å; V36-L111 VanDerWaalsContact CG2-CB 3.5Å; V36-L111 HydrophobicContact CG2-CD1 3.64Å; V36-L111 HydrophobicContact CG2-CG 4.13Å; L39-L111 HydrophobicContact CD1-CD1 3.79Å; H107-L111 PolarHBondContact O-N 3.21Å; I109-L111 PolarHBondContact O-N 2.85Å; L111-K113 PolarHBondContact O-N 2.84Å; L111-E114 PolarHBondContact O-N 3.42Å; L111-K1373 VanDerWaalsContact CA-CE 3.44Å; L111-K1373 WeakPolarHBondContact O-CE 3.28Å |
| 112 | C | 56.8 | Low | 52.7 | Low | 34 Ų | 34 | 70.9 Ų | 70.9 | 23% | 0.23 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 22.6 | -169.1 | -50.9 | 0 | 0 | 0 | 0 | 120.8 | I109 K1373 | I109-C112 PolarHBondContact O-N 2.89Å; I109-C112 VanDerWaalsContact O-N 3.08Å; C112-K1373 HydrophobicContact CB-CG 3.97Å; C112-K1373 WeakPolarHBondContact O-CG 3.36Å |
| 113 | K | 59.9 | Low | 51.2 | Low | 52 Ų | 52 | 72.3 Ų | 72.3 | 23% | 0.226 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -28.1 | -176.7 | -94.6 | 134.4 | -164 | -179.8 | 0 | 106.3 | I109 L111 R1371 M1372 K1373 | I109-K113 HydrophobicContact CG2-CD 4.18Å; L111-K113 PolarHBondContact O-N 2.84Å; K113-R1371 HydrophobicContact CB-CG 3.8Å; K113-R1371 HydrophobicContact CG-CG 3.95Å; K113-M1372 HydrophobicContact CD-CB 3.96Å; K113-M1372 HydrophobicContact CD-CE 3.54Å; K113-M1372 HydrophobicContact CD-CG 3.73Å; K113-M1372 HydrophobicContact CD-SD 3.28Å; K113-M1372 WeakPolarHBondContact CD-SD 3.29Å; K113-M1372 VanDerWaalsContact CE-CG 3.41Å; K113-M1372 WeakPolarHBondContact CE-SD 3.23Å; K113-M1372 VanDerWaalsContact CG-CA 3.41Å; K113-M1372 HydrophobicContact CG-CB 4.04Å; K113-M1372 HydrophobicContact CG-CE 3.93Å; K113-M1372 HydrophobicContact CG-CG 3.84Å; K113-M1372 HydrophobicContact CG-SD 4.03Å; K113-M1372 PolarHBondContact NZ-SD 2.88Å; K113-M1372 VanDerWaalsContact NZ-SD 3.36Å; K113-K1373 VanDerWaalsContact CA-CG 3.4Å; K113-K1373 HydrophobicContact CB-CB 4.3Å; K113-K1373 HydrophobicContact CB-CD 3.07Å; K113-K1373 HydrophobicContact CB-CG 3.33Å; K113-K1373 HydrophobicContact CD-CB 3.43Å; K113-K1373 VanDerWaalsContact CD-CB 3.43Å; K113-K1373 HydrophobicContact CD-CD 3.12Å; K113-K1373 HydrophobicContact CD-CG 3.42Å; K113-K1373 VanDerWaalsContact CD-CG 3.42Å; K113-K1373 VanDerWaalsContact CE-N 3.27Å; K113-K1373 HydrophobicContact CG-CB 3.54Å; K113-K1373 HydrophobicContact CG-CD 3.13Å; K113-K1373 HydrophobicContact CG-CG 3.15Å; K113-K1373 VanDerWaalsContact CG-N 3.29Å |
| 114 | E | 52.8 | Low | 49.9 | Very low | 103 Ų | 103 | 73 Ų | 73 | 48% | 0.481 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -102.4 | 139.7 | -178.5 | -50.6 | -167.8 | 141.4 | 0 | 0 | 103.6 | L111 V116 R1371 | L111-E114 PolarHBondContact O-N 3.42Å; E114-V116 PolarHBondContact O-N 2.88Å; E114-R1371 IonicContact OE1-CZ 2.74Å; E114-R1371 IonicContact OE1-NE 3.09Å; E114-R1371 IonicContact OE1-NH2 3.55Å; E114-R1371 PolarHBondContact OE1-NH2 2.84Å |
| 115 | K | 50 | Low | 48.9 | Very low | 205 Ų | 205 | 74.9 Ų | 74.9 | 89% | 0.891 | 43% | 0.434 | S | S | * | . | trans | -79 | 73.6 | -161.7 | -65.8 | 179.6 | -179.8 | 176.4 | 0 | 110.1 | P117 | K115-P117 WeakPolarHBondContact O-CD 3.22Š| ||
| 116 | V | 46.8 | Very low | 47.9 | Very low | 48 Ų | 48 | 73.3 Ų | 73.3 | 29% | 0.291 | 43% | 0.43 | S | S | . | . | trans | -52.3 | 111.4 | 167.6 | -178.7 | 0 | 0 | 0 | 0 | 107.1 | E114 V118 | E114-V116 PolarHBondContact O-N 2.88Å; V116-V118 PolarHBondContact O-N 2.93Å | ||
| 117 | P | 40.8 | Very low | 47.1 | Very low | 91 Ų | 91 | 73.8 Ų | 73.8 | 59% | 0.591 | 44% | 0.437 | S | S | * | . | trans | -73.3 | 114.2 | -176.5 | -13.6 | 29.6 | 0 | 0 | 0 | 108 | K115 P119 | K115-P117 WeakPolarHBondContact O-CD 3.22Å; P117-P119 WeakPolarHBondContact O-CD 3.4Å | ||
| 118 | V | 41.6 | Very low | 46.6 | Very low | 60 Ų | 60 | 70 Ų | 70 | 36% | 0.364 | 42% | 0.42 | S | S | . | . | trans | -66.1 | 116.2 | 174.3 | -176 | 0 | 0 | 0 | 0 | 107.8 | V116 N120 F138 | V116-V118 PolarHBondContact O-N 2.93Å; V118-N120 PolarHBondContact O-N 3.18Å; V118-F138 HydrophobicContact CG2-CD2 4.34Å; V118-F138 HydrophobicContact CG2-CE2 4.2Å | ||
| 119 | P | 35.3 | Very low | 46.4 | Very low | 70 Ų | 70 | 71.7 Ų | 71.7 | 46% | 0.455 | 43% | 0.429 | S | S | . | . | trans | -71.3 | 119.6 | -172.4 | -20.6 | 34.6 | 0 | 0 | 0 | 111.6 | P117 S121 | P117-P119 WeakPolarHBondContact O-CD 3.4Å; P119-S121 WeakPolarHBondContact CB-OG 3.32Å; P119-S121 PolarHBondContact O-N 3.38Å; P119-S121 VanDerWaalsContact O-N 3.12Å | ||
| 120 | N | 36.7 | Very low | 46 | Very low | 113 Ų | 113 | 71.3 Ų | 71.3 | 60% | 0.604 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -3 | 173.5 | -75.6 | -20.3 | 0 | 0 | 0 | 113.5 | V118 N638 | V118-N120 PolarHBondContact O-N 3.18Å; N120-N638 PolarHBondContact O-ND2 2.9Å |
| 121 | S | 37.3 | Very low | 45.3 | Very low | 87 Ų | 87 | 70.8 Ų | 70.8 | 61% | 0.608 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -32.3 | -173 | 45.7 | 0 | 0 | 0 | 0 | 114.3 | P119 S123 | P119-S121 WeakPolarHBondContact CB-OG 3.32Å; P119-S121 PolarHBondContact O-N 3.38Å; P119-S121 VanDerWaalsContact O-N 3.12Å; S121-S123 PolarHBondContact O-N 3.42Å; S121-S123 VanDerWaalsContact O-N 3.1Å |
| 122 | L | 32.5 | Very low | 44.9 | Very low | 112 Ų | 112 | 76.5 Ų | 76.5 | 59% | 0.586 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -87.4 | 77.4 | -179.3 | -74.6 | 167.7 | 0 | 0 | 0 | 111.3 | R131 | L122-R131 VanDerWaalsContact CB-NH2 3.25Å; L122-R131 VanDerWaalsContact CD1-NH2 3.32Å; L122-R131 PolarHBondContact O-NH1 2.87Å |
| 123 | S | 31.5 | Very low | 44.5 | Very low | 93 Ų | 93 | 75.9 Ų | 75.9 | 65% | 0.65 | 45% | 0.446 | S | S | * | . | trans | -60.6 | 153.4 | 175.3 | -167.2 | 0 | 0 | 0 | 0 | 113 | S121 A125 | S121-S123 PolarHBondContact O-N 3.42Å; S121-S123 VanDerWaalsContact O-N 3.1Å; S123-A125 VanDerWaalsContact C-N 3.29Å; S123-A125 PolarHBondContact O-N 3.27Å | ||
| 124 | A | 35.7 | Very low | 43.7 | Very low | 104 Ų | 104 | 80.5 Ų | 80.5 | 86% | 0.86 | 46% | 0.462 | S | S | * | . | S | Bend | trans | 57.7 | -52 | 169.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | V126 | A124-V126 PolarHBondContact O-N 2.95Š|
| 125 | A | 37.8 | Very low | 43.6 | Very low | 67 Ų | 67 | 82.1 Ų | 82.1 | 55% | 0.554 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -69.8 | -23.3 | -149.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | F63 S123 | F63-A125 HydrophobicContact CE1-CB 4.15Å; F63-A125 WeakPolarHBondContact CZ-O 3.42Å; S123-A125 VanDerWaalsContact C-N 3.29Å; S123-A125 PolarHBondContact O-N 3.27Å |
| 126 | V | 38.8 | Very low | 43.9 | Very low | 18 Ų | 18 | 73 Ų | 73 | 11% | 0.109 | 43% | 0.431 | C | S | . | . | trans | -128.3 | 122.1 | -169.8 | -157.2 | 0 | 0 | 0 | 0 | 112.9 | F63 A124 S128 R131 | F63-V126 HydrophobicContact CB-CG2 4.25Å; F63-V126 HydrophobicContact CD1-CG2 3.66Å; F63-V126 HydrophobicContact CD2-CB 4.26Å; F63-V126 HydrophobicContact CD2-CG1 3.61Å; F63-V126 HydrophobicContact CD2-CG2 3.67Å; F63-V126 HydrophobicContact CE1-CG2 3.85Å; F63-V126 HydrophobicContact CE2-CB 4.22Å; F63-V126 HydrophobicContact CE2-CG1 3.63Å; F63-V126 HydrophobicContact CE2-CG2 3.89Å; F63-V126 HydrophobicContact CG-CG1 4.35Å; F63-V126 HydrophobicContact CG-CG2 3.58Å; F63-V126 HydrophobicContact CZ-CB 4.49Å; F63-V126 HydrophobicContact CZ-CG1 4.35Å; F63-V126 HydrophobicContact CZ-CG2 3.96Å; A124-V126 PolarHBondContact O-N 2.95Å; V126-S128 VanDerWaalsContact C-N 3.26Å; V126-S128 WeakPolarHBondContact CG1-OG 3.45Å; V126-S128 PolarHBondContact O-N 2.91Å; V126-R131 VanDerWaalsContact O-CD 3.3Å; V126-R131 WeakPolarHBondContact O-CD 2.97Å | ||
| 127 | P | 49 | Very low | 44.1 | Very low | 79 Ų | 79 | 74.6 Ų | 74.6 | 51% | 0.513 | 44% | 0.441 | S | S | . | . | trans | -82.6 | 6.5 | 179.4 | 34.4 | -36.4 | 0 | 0 | 0 | 114.7 | ||||
| 128 | S | 52.8 | Low | 44.7 | Very low | 6 Ų | 6 | 75 Ų | 75 | 4% | 0.042 | 43% | 0.434 | C | S | . | . | trans | -76.6 | 171.2 | -153.1 | 64.3 | 0 | 0 | 0 | 0 | 117.4 | Y37 E59 V126 F130 R131 | Y37-S128 PolarHBondContact OH-OG 3.44Å; E59-S128 VanDerWaalsContact OE2-CB 3.26Å; E59-S128 WeakPolarHBondContact OE2-CB 3.22Å; V126-S128 VanDerWaalsContact C-N 3.26Å; V126-S128 WeakPolarHBondContact CG1-OG 3.45Å; V126-S128 PolarHBondContact O-N 2.91Å; S128-F130 VanDerWaalsContact C-N 3.26Å; S128-F130 PolarHBondContact O-N 3.17Å; S128-R131 PolarHBondContact O-N 2.95Å; S128-R131 VanDerWaalsContact O-N 3.1Å | ||
| 129 | L | 55 | Low | 45 | Very low | 55 Ų | 55 | 78.1 Ų | 78.1 | 29% | 0.288 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -42.9 | -35.8 | -167 | -136.7 | 76.3 | 0 | 0 | 0 | 116.7 | I44 S136 V137 | I44-L129 HydrophobicContact CD1-CD2 4.28Å; L129-S136 CarbonylContact O-C 3.56Å; L129-S136 WeakPolarHBondContact O-CA 3.46Å; L129-V137 HydrophobicContact CD2-CG2 4.08Å; L129-V137 HydrophobicContact CG-CG2 3.78Å; L129-V137 PolarHBondContact O-N 3.06Å |
| 130 | F | 54.1 | Low | 45.5 | Very low | 14 Ų | 14 | 80.6 Ų | 80.6 | 6% | 0.061 | 44% | 0.442 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | 10.4 | -171.4 | -64.5 | -66.6 | 0 | 0 | 0 | 114.4 | V36 Y37 A40 S128 V137 F138 | V36-F130 HydrophobicContact CG1-CD2 4.31Å; V36-F130 HydrophobicContact CG1-CE1 4.21Å; V36-F130 HydrophobicContact CG1-CE2 3.93Å; V36-F130 HydrophobicContact CG1-CZ 3.87Å; Y37-F130 HydrophobicContact CD2-CD2 4.15Å; Y37-F130 HydrophobicContact CE2-CB 4.39Å; Y37-F130 AromaticContact CE2-CD2 3.6Å; Y37-F130 HydrophobicContact CE2-CD2 3.6Å; Y37-F130 HydrophobicContact CE2-CE2 4.4Å; Y37-F130 HydrophobicContact CE2-CG 4.43Å; Y37-F130 AromaticContact CZ-CD2 3.87Å; A40-F130 HydrophobicContact CB-CE2 3.85Å; A40-F130 HydrophobicContact CB-CZ 3.97Å; S128-F130 VanDerWaalsContact C-N 3.26Å; S128-F130 PolarHBondContact O-N 3.17Å; F130-V137 HydrophobicContact CE1-CG2 4.35Å; F130-F138 HydrophobicContact CB-CE2 3.91Å; F130-F138 AromaticContact CD1-CE2 3.74Å; F130-F138 HydrophobicContact CD1-CE2 3.74Å; F130-F138 AromaticContact CD1-CZ 3.81Å; F130-F138 HydrophobicContact CD1-CZ 3.81Å; F130-F138 HydrophobicContact CG-CE2 4.3Å; F130-F138 WeakPolarHBondContact O-CD2 3.4Å; F130-F138 WeakPolarHBondContact O-CE2 3.44Å |
| 131 | R | 50.1 | Low | 45.8 | Very low | 46 Ų | 46 | 83.5 Ų | 83.5 | 17% | 0.174 | 45% | 0.452 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | -179.6 | 179.5 | -68.8 | 172 | 167.9 | -110.2 | -2.6 | 112 | L122 V126 S128 G133 S136 | L122-R131 VanDerWaalsContact CB-NH2 3.25Å; L122-R131 VanDerWaalsContact CD1-NH2 3.32Å; L122-R131 PolarHBondContact O-NH1 2.87Å; V126-R131 VanDerWaalsContact O-CD 3.3Å; V126-R131 WeakPolarHBondContact O-CD 2.97Å; S128-R131 PolarHBondContact O-N 2.95Å; S128-R131 VanDerWaalsContact O-N 3.1Å; R131-G133 PolarHBondContact O-N 3.3Å; R131-S136 WeakPolarHBondContact O-CB 3.42Å; R131-S136 PolarHBondContact O-OG 3.19Å |
| 132 | N | 47.5 | Very low | 45.9 | Very low | 150 Ų | 150 | 85.9 Ų | 85.9 | 80% | 0.802 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | 20.7 | 173.7 | -68.7 | -28.5 | 0 | 0 | 0 | 114.3 | ||
| 133 | G | 47.4 | Very low | 46.4 | Very low | 21 Ų | 21 | 83.8 Ų | 83.8 | 22% | 0.216 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -76.1 | 174.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | R131 H135 S136 | R131-G133 PolarHBondContact O-N 3.3Å; G133-H135 PolarHBondContact O-N 2.9Å; G133-S136 WeakPolarHBondContact O-CB 3.4Å; G133-S136 PolarHBondContact O-N 3.35Å |
| 134 | R | 43.3 | Very low | 46.9 | Very low | 148 Ų | 148 | 83.8 Ų | 83.8 | 56% | 0.558 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -3.7 | -179.7 | -58.1 | -176.8 | -150.1 | 157.5 | 11.1 | 114 | R139 G167 | R134-R139 PolarHBondContact O-NH1 3.21Å; R134-R139 PolarHBondContact O-NH2 3.4Å; R134-R139 VanDerWaalsContact O-NH2 3.09Å; R134-G167 PolarHBondContact NH2-O 3.16Å |
| 135 | H | 52.1 | Low | 47.1 | Very low | 137 Ų | 137 | 88.4 Ų | 88.4 | 63% | 0.634 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.9 | 20 | -177.7 | -57.7 | -84.4 | 0 | 0 | 0 | 112.3 | G133 | G133-H135 PolarHBondContact O-N 2.9Š|
| 136 | S | 55.9 | Low | 47.3 | Very low | 13 Ų | 13 | 92.3 Ų | 92.3 | 9% | 0.091 | 45% | 0.446 | C | S | . | . | trans | -63.6 | 132.4 | -178.9 | -167.9 | 0 | 0 | 0 | 0 | 114.2 | L129 R131 G133 F138 | L129-S136 CarbonylContact O-C 3.56Å; L129-S136 WeakPolarHBondContact O-CA 3.46Å; R131-S136 WeakPolarHBondContact O-CB 3.42Å; R131-S136 PolarHBondContact O-OG 3.19Å; G133-S136 WeakPolarHBondContact O-CB 3.4Å; G133-S136 PolarHBondContact O-N 3.35Å; S136-F138 VanDerWaalsContact C-N 3.31Å; S136-F138 PolarHBondContact OG-N 3.18Å; S136-F138 VanDerWaalsContact OG-N 3.16Å | ||
| 137 | V | 51.8 | Low | 47.3 | Very low | 83 Ų | 83 | 96.8 Ų | 96.8 | 50% | 0.503 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -24.2 | 166.9 | -169.3 | 0 | 0 | 0 | 0 | 111.6 | L129 F130 R139 | L129-V137 HydrophobicContact CD2-CG2 4.08Å; L129-V137 HydrophobicContact CG-CG2 3.78Å; L129-V137 PolarHBondContact O-N 3.06Å; F130-V137 HydrophobicContact CE1-CG2 4.35Å; V137-R139 PolarHBondContact O-N 2.91Å |
| 138 | F | 52.4 | Low | 47 | Very low | 100 Ų | 100 | 97.8 Ų | 97.8 | 44% | 0.439 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 11.2 | -179.1 | -60.9 | -51.5 | 0 | 0 | 0 | 114 | V118 F130 S136 K140 | V118-F138 HydrophobicContact CG2-CD2 4.34Å; V118-F138 HydrophobicContact CG2-CE2 4.2Å; F130-F138 HydrophobicContact CB-CE2 3.91Å; F130-F138 AromaticContact CD1-CE2 3.74Å; F130-F138 HydrophobicContact CD1-CE2 3.74Å; F130-F138 AromaticContact CD1-CZ 3.81Å; F130-F138 HydrophobicContact CD1-CZ 3.81Å; F130-F138 HydrophobicContact CG-CE2 4.3Å; F130-F138 WeakPolarHBondContact O-CD2 3.4Å; F130-F138 WeakPolarHBondContact O-CE2 3.44Å; S136-F138 VanDerWaalsContact C-N 3.31Å; S136-F138 PolarHBondContact OG-N 3.18Å; S136-F138 VanDerWaalsContact OG-N 3.16Å; F138-K140 PolarHBondContact O-N 3.12Å |
| 139 | R | 48.1 | Very low | 46.8 | Very low | 124 Ų | 124 | 102.1 Ų | 102.1 | 47% | 0.468 | 49% | 0.488 | S | S | . | . | trans | -61.9 | 126.5 | 174.7 | -100.6 | 171.3 | 169.1 | 167.2 | -0.2 | 112.2 | R134 V137 | R134-R139 PolarHBondContact O-NH1 3.21Å; R134-R139 PolarHBondContact O-NH2 3.4Å; R134-R139 VanDerWaalsContact O-NH2 3.09Å; V137-R139 PolarHBondContact O-N 2.91Å | ||
| 140 | K | 46.1 | Very low | 46.2 | Very low | 122 Ų | 122 | 106.5 Ų | 106.5 | 53% | 0.53 | 50% | 0.501 | S | S | . | . | trans | -99.8 | 163.8 | 165.8 | -61.7 | -176 | 177.9 | -177.2 | 0 | 111.3 | F138 E142 T143 L144 | F138-K140 PolarHBondContact O-N 3.12Å; K140-E142 HydrophobicContact CB-CB 4.21Å; K140-E142 WeakPolarHBondContact CD-OE2 3.43Å; K140-E142 IonicContact NZ-OE2 3.42Å; K140-E142 PolarHBondContact NZ-OE2 2.88Å; K140-E142 PolarHBondContact O-N 2.8Å; K140-T143 HydrophobicContact CB-CG2 4.44Å; K140-T143 PolarHBondContact N-OG1 3.36Å; K140-T143 WeakPolarHBondContact O-CA 3.4Å; K140-T143 PolarHBondContact O-N 2.91Å; K140-T143 PolarHBondContact O-OG1 3.03Å; K140-L144 PolarHBondContact O-N 2.86Å | ||
| 141 | Q | 41.7 | Very low | 45.6 | Very low | 174 Ų | 174 | 111 Ų | 111 | 81% | 0.813 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -59.4 | -33.1 | 169.9 | -165.6 | 167.8 | 0.9 | 0 | 0 | 112.2 | T143 L144 | Q141-T143 PolarHBondContact O-N 3.01Å; Q141-L144 PolarHBondContact O-N 2.84Å; Q141-L144 VanDerWaalsContact O-N 3.11Å |
| 142 | E | 39.8 | Very low | 45.4 | Very low | 137 Ų | 137 | 114.8 Ų | 114.8 | 64% | 0.64 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -58.9 | -20.8 | 169.9 | -62.7 | 158.3 | -177.5 | 0 | 0 | 113.9 | K140 Y145 | K140-E142 HydrophobicContact CB-CB 4.21Å; K140-E142 WeakPolarHBondContact CD-OE2 3.43Å; K140-E142 IonicContact NZ-OE2 3.42Å; K140-E142 PolarHBondContact NZ-OE2 2.88Å; K140-E142 PolarHBondContact O-N 2.8Å; E142-Y145 WeakPolarHBondContact O-CE2 3.35Å |
| 143 | T | 42.9 | Very low | 45.4 | Very low | 69 Ų | 69 | 109 Ų | 109 | 42% | 0.423 | 51% | 0.509 | S | S | . | . | G | 310 helix | trans | -103.8 | -0.9 | 178.9 | 64.2 | 0 | 0 | 0 | 0 | 113.3 | K140 Q141 Y145 | K140-T143 HydrophobicContact CB-CG2 4.44Å; K140-T143 PolarHBondContact N-OG1 3.36Å; K140-T143 WeakPolarHBondContact O-CA 3.4Å; K140-T143 PolarHBondContact O-N 2.91Å; K140-T143 PolarHBondContact O-OG1 3.03Å; Q141-T143 PolarHBondContact O-N 3.01Å; T143-Y145 VanDerWaalsContact C-N 3.3Å; T143-Y145 PolarHBondContact O-N 3.35Å |
| 144 | L | 41.7 | Very low | 45.3 | Very low | 92 Ų | 92 | 109.9 Ų | 109.9 | 48% | 0.482 | 51% | 0.508 | S | S | . | . | trans | -82.9 | 71.2 | 174.9 | -69.6 | 177.8 | 0 | 0 | 0 | 111.1 | K140 Q141 L146 | K140-L144 PolarHBondContact O-N 2.86Å; Q141-L144 PolarHBondContact O-N 2.84Å; Q141-L144 VanDerWaalsContact O-N 3.11Å; L144-L146 PolarHBondContact O-N 3.44Å | ||
| 145 | Y | 41.7 | Very low | 45.3 | Very low | 201 Ų | 201 | 106.1 Ų | 106.1 | 79% | 0.788 | 50% | 0.499 | S | S | * | . | trans | -73 | 51.3 | 174 | -72.7 | -84.5 | 0 | 0 | 0 | 113.3 | E142 T143 K147 | E142-Y145 WeakPolarHBondContact O-CE2 3.35Å; T143-Y145 VanDerWaalsContact C-N 3.3Å; T143-Y145 PolarHBondContact O-N 3.35Å; Y145-K147 VanDerWaalsContact C-N 3.25Å; Y145-K147 PolarHBondContact O-N 3.21Å; Y145-K147 VanDerWaalsContact O-N 3.14Å | ||
| 146 | L | 40.5 | Very low | 44.7 | Very low | 150 Ų | 150 | 101.4 Ų | 101.4 | 79% | 0.785 | 49% | 0.487 | S | S | * | . | trans | -84.7 | 63.9 | 169.9 | -80 | 168.2 | 0 | 0 | 0 | 110.5 | L144 S148 | L144-L146 PolarHBondContact O-N 3.44Å; L146-S148 PolarHBondContact O-N 2.89Å | ||
| 147 | K | 40.5 | Very low | 43.9 | Very low | 112 Ų | 112 | 104.2 Ų | 104.2 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | trans | -75 | 112.9 | 170.2 | -172.1 | -176.9 | 178.9 | -170.9 | 0 | 109.2 | Y145 W149 D153 | Y145-K147 VanDerWaalsContact C-N 3.25Å; Y145-K147 PolarHBondContact O-N 3.21Å; Y145-K147 VanDerWaalsContact O-N 3.14Å; K147-W149 VanDerWaalsContact O-CD1 3.23Å; K147-W149 PolarHBondContact O-N 3.38Å; K147-D153 WeakPolarHBondContact CE-OD1 3.45Å; K147-D153 VanDerWaalsContact NZ-CG 3.31Å; K147-D153 IonicContact NZ-OD1 2.86Å; K147-D153 PolarHBondContact NZ-OD1 2.97Å; K147-D153 IonicContact NZ-OD2 3.74Å | ||
| 148 | S | 41.3 | Very low | 43.3 | Very low | 99 Ų | 99 | 107.6 Ų | 107.6 | 69% | 0.692 | 52% | 0.515 | S | S | * | . | trans | -68.4 | 115.5 | 163.2 | 48.2 | 0 | 0 | 0 | 0 | 108.8 | L146 R150 | L146-S148 PolarHBondContact O-N 2.89Å; S148-R150 PolarHBondContact O-N 2.96Å | ||
| 149 | W | 48.1 | Very low | 42.3 | Very low | 98 Ų | 98 | 106.6 Ų | 106.6 | 37% | 0.371 | 51% | 0.514 | S | S | . | . | trans | -75.4 | 118.3 | -179.7 | -68.3 | 78.1 | 0 | 0 | 0 | 109.7 | K147 D153 L154 L163 | K147-W149 VanDerWaalsContact O-CD1 3.23Å; K147-W149 PolarHBondContact O-N 3.38Å; W149-D153 HydrophobicContact CB-CB 4.48Å; W149-D153 HydrophobicContact CD2-CB 4.41Å; W149-D153 HydrophobicContact CE3-CB 3.62Å; W149-D153 HydrophobicContact CZ3-CB 4.25Å; W149-D153 WeakPolarHBondContact CZ3-O 3.32Å; W149-L154 HydrophobicContact CB-CG 4.39Å; W149-L163 HydrophobicContact CH2-CB 4.33Å; W149-L163 HydrophobicContact CH2-CD1 3.81Å; W149-L163 HydrophobicContact CZ3-CD1 3.89Å | ||
| 150 | R | 43.6 | Very low | 41.7 | Very low | 146 Ų | 146 | 102.7 Ų | 102.7 | 55% | 0.551 | 51% | 0.508 | S | S | * | . | trans | -77.2 | 164.5 | 167.3 | -65.3 | 171 | -72.2 | 170.7 | -11.6 | 110.1 | S148 E152 D153 L154 | S148-R150 PolarHBondContact O-N 2.96Å; R150-E152 HydrophobicContact CB-CB 4.48Å; R150-E152 IonicContact CZ-OE2 2.62Å; R150-E152 IonicContact NE-OE2 2.8Å; R150-E152 IonicContact NH1-OE2 3.19Å; R150-E152 PolarHBondContact NH1-OE2 2.97Å; R150-E152 PolarHBondContact O-N 3.21Å; R150-D153 WeakPolarHBondContact CB-OD2 3.39Å; R150-D153 IonicContact CZ-OD2 2.74Å; R150-D153 PolarHBondContact N-OD2 3Å; R150-D153 IonicContact NE-OD2 3.41Å; R150-D153 PolarHBondContact NE-OD2 3.25Å; R150-D153 VanDerWaalsContact NE-OD2 3.09Å; R150-D153 IonicContact NH2-OD1 3.94Å; R150-D153 IonicContact NH2-OD2 2.87Å; R150-D153 WeakPolarHBondContact O-CB 3.49Å; R150-D153 PolarHBondContact O-N 2.88Å; R150-L154 PolarHBondContact O-N 3.49Å | ||
| 151 | F | 41.2 | Very low | 41.2 | Very low | 110 Ų | 110 | 100.2 Ų | 100.2 | 48% | 0.482 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -49 | -40.5 | 169.6 | -178.3 | -107.2 | 0 | 0 | 0 | 112.2 | L154 I155 K180 V181 | F151-L154 PolarHBondContact O-N 3.41Å; F151-I155 HydrophobicContact CD1-CD1 3.84Å; F151-I155 HydrophobicContact CD2-CD1 4.49Å; F151-I155 HydrophobicContact CE1-CD1 3.5Å; F151-I155 HydrophobicContact CE2-CD1 4.19Å; F151-I155 HydrophobicContact CG-CD1 4.33Å; F151-I155 HydrophobicContact CZ-CD1 3.7Å; F151-I155 WeakPolarHBondContact O-CD1 3.13Å; F151-I155 WeakPolarHBondContact O-CG1 3.43Å; F151-I155 PolarHBondContact O-N 3.43Å; F151-K180 HydrophobicContact CE2-CB 4.26Å; F151-V181 HydrophobicContact CD2-CG2 3.65Å; F151-V181 HydrophobicContact CE2-CG2 3.71Å |
| 152 | E | 46.2 | Very low | 41 | Very low | 125 Ų | 125 | 94.4 Ų | 94.4 | 58% | 0.584 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.2 | -40.7 | 175.2 | -60.8 | 155.9 | 168.4 | 0 | 0 | 113 | R150 L154 I155 | R150-E152 HydrophobicContact CB-CB 4.48Å; R150-E152 IonicContact CZ-OE2 2.62Å; R150-E152 IonicContact NE-OE2 2.8Å; R150-E152 IonicContact NH1-OE2 3.19Å; R150-E152 PolarHBondContact NH1-OE2 2.97Å; R150-E152 PolarHBondContact O-N 3.21Å; E152-L154 VanDerWaalsContact C-N 3.33Å; E152-L154 PolarHBondContact O-N 3.05Å; E152-I155 PolarHBondContact O-N 2.81Å |
| 153 | D | 46.5 | Very low | 41.1 | Very low | 27 Ų | 27 | 91.4 Ų | 91.4 | 14% | 0.144 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -70.4 | -31.4 | -177.8 | -66.6 | -67.2 | 0 | 0 | 0 | 111.6 | K147 W149 R150 | K147-D153 WeakPolarHBondContact CE-OD1 3.45Å; K147-D153 VanDerWaalsContact NZ-CG 3.31Å; K147-D153 IonicContact NZ-OD1 2.86Å; K147-D153 PolarHBondContact NZ-OD1 2.97Å; K147-D153 IonicContact NZ-OD2 3.74Å; W149-D153 HydrophobicContact CB-CB 4.48Å; W149-D153 HydrophobicContact CD2-CB 4.41Å; W149-D153 HydrophobicContact CE3-CB 3.62Å; W149-D153 HydrophobicContact CZ3-CB 4.25Å; W149-D153 WeakPolarHBondContact CZ3-O 3.32Å; R150-D153 WeakPolarHBondContact CB-OD2 3.39Å; R150-D153 IonicContact CZ-OD2 2.74Å; R150-D153 PolarHBondContact N-OD2 3Å; R150-D153 IonicContact NE-OD2 3.41Å; R150-D153 PolarHBondContact NE-OD2 3.25Å; R150-D153 VanDerWaalsContact NE-OD2 3.09Å; R150-D153 IonicContact NH2-OD1 3.94Å; R150-D153 IonicContact NH2-OD2 2.87Å; R150-D153 WeakPolarHBondContact O-CB 3.49Å; R150-D153 PolarHBondContact O-N 2.88Å |
| 154 | L | 47.1 | Very low | 41 | Very low | 40 Ų | 40 | 92.9 Ų | 92.9 | 21% | 0.209 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -70.3 | -34.9 | 175.9 | -76.4 | 150.5 | 0 | 0 | 0 | 112.7 | W149 R150 F151 E152 G156 F173 V181 V185 | W149-L154 HydrophobicContact CB-CG 4.39Å; R150-L154 PolarHBondContact O-N 3.49Å; F151-L154 PolarHBondContact O-N 3.41Å; E152-L154 VanDerWaalsContact C-N 3.33Å; E152-L154 PolarHBondContact O-N 3.05Å; L154-G156 PolarHBondContact O-N 3.14Å; L154-F173 HydrophobicContact CD1-CE1 4.07Å; L154-F173 HydrophobicContact CD2-CE1 3.95Å; L154-F173 HydrophobicContact CD2-CZ 4.01Å; L154-V181 HydrophobicContact CB-CG1 3.84Å; L154-V181 HydrophobicContact CB-CG2 4.44Å; L154-V181 HydrophobicContact CD1-CG1 4.45Å; L154-V181 HydrophobicContact CD1-CG2 4.21Å; L154-V181 HydrophobicContact CD2-CG1 4.34Å; L154-V181 HydrophobicContact CG-CG1 4.43Å; L154-V185 WeakPolarHBondContact O-CG2 3.42Å |
| 155 | I | 42.2 | Very low | 41.2 | Very low | 70 Ų | 70 | 93.9 Ų | 93.9 | 36% | 0.359 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -7.8 | -179 | -66.6 | 167.5 | 0 | 0 | 0 | 112.1 | F151 E152 S157 C184 V185 | F151-I155 HydrophobicContact CD1-CD1 3.84Å; F151-I155 HydrophobicContact CD2-CD1 4.49Å; F151-I155 HydrophobicContact CE1-CD1 3.5Å; F151-I155 HydrophobicContact CE2-CD1 4.19Å; F151-I155 HydrophobicContact CG-CD1 4.33Å; F151-I155 HydrophobicContact CZ-CD1 3.7Å; F151-I155 WeakPolarHBondContact O-CD1 3.13Å; F151-I155 WeakPolarHBondContact O-CG1 3.43Å; F151-I155 PolarHBondContact O-N 3.43Å; E152-I155 PolarHBondContact O-N 2.81Å; I155-S157 PolarHBondContact O-N 3.45Å; I155-C184 HydrophobicContact CG1-CB 4.06Å; I155-V185 HydrophobicContact CG1-CG2 4.47Å |
| 156 | G | 39.4 | Very low | 41 | Very low | 38 Ų | 38 | 88.1 Ų | 88.1 | 39% | 0.392 | 47% | 0.466 | S | S | . | . | trans | -71.7 | 74 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L154 | L154-G156 PolarHBondContact O-N 3.14Š| ||
| 157 | S | 39.9 | Very low | 40.8 | Very low | 71 Ų | 71 | 84.9 Ų | 84.9 | 50% | 0.497 | 47% | 0.468 | S | S | . | . | trans | -64.5 | 135.2 | 173.3 | 89.7 | 0 | 0 | 0 | 0 | 111.4 | I155 A160 F161 | I155-S157 PolarHBondContact O-N 3.45Å; S157-A160 WeakPolarHBondContact OG-CA 3.25Å; S157-A160 PolarHBondContact OG-N 3.13Å; S157-F161 WeakPolarHBondContact CA-O 3.39Å; S157-F161 WeakPolarHBondContact CB-O 3.31Å | ||
| 158 | K | 38.2 | Very low | 40.8 | Very low | 155 Ų | 155 | 81 Ų | 81 | 67% | 0.674 | 46% | 0.46 | S | S | * | . | B | Isolated β-bridge | trans | -104.9 | 111.6 | 166.9 | -151.4 | 175.2 | -172.6 | 178.9 | 0 | 107.5 | F161 L163 | K158-F161 PolarHBondContact N-O 3.21Å; K158-F161 VanDerWaalsContact N-O 3.09Å; K158-F161 PolarHBondContact O-N 3.42Å; K158-L163 HydrophobicContact CB-CD2 4.17Å |
| 159 | N | 32.8 | Very low | 40.7 | Very low | 78 Ų | 78 | 80.6 Ų | 80.6 | 42% | 0.417 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | 41.4 | -172.4 | -50.4 | -19.5 | 0 | 0 | 0 | 113.8 | F161 V572 K574 | N159-F161 WeakPolarHBondContact O-CD2 3.45Å; N159-F161 PolarHBondContact O-N 2.9Å; N159-F161 VanDerWaalsContact O-N 3.17Å; N159-V572 HydrophobicContact CB-CG1 4.44Å; N159-V572 VanDerWaalsContact O-CG1 3.29Å; N159-V572 WeakPolarHBondContact O-CG1 3.41Å; N159-K574 PolarHBondContact ND2-N 3.3Å |
| 160 | A | 35.4 | Very low | 40.4 | Very low | 42 Ų | 42 | 85.9 Ų | 85.9 | 35% | 0.347 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66 | 1.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | S157 | S157-A160 WeakPolarHBondContact OG-CA 3.25Å; S157-A160 PolarHBondContact OG-N 3.13Å |
| 161 | F | 34 | Very low | 40.2 | Very low | 70 Ų | 70 | 85.4 Ų | 85.4 | 31% | 0.307 | 48% | 0.483 | S | S | . | . | B | Isolated β-bridge | trans | -88.8 | 146.6 | 169.1 | -71.6 | -89.6 | 0 | 0 | 0 | 111.8 | S157 K158 N159 T556 V572 | S157-F161 WeakPolarHBondContact CA-O 3.39Å; S157-F161 WeakPolarHBondContact CB-O 3.31Å; K158-F161 PolarHBondContact N-O 3.21Å; K158-F161 VanDerWaalsContact N-O 3.09Å; K158-F161 PolarHBondContact O-N 3.42Å; N159-F161 WeakPolarHBondContact O-CD2 3.45Å; N159-F161 PolarHBondContact O-N 2.9Å; N159-F161 VanDerWaalsContact O-N 3.17Å; F161-T556 HydrophobicContact CE1-CG2 4.39Å; F161-V572 HydrophobicContact CE2-CB 4.4Å |
| 162 | P | 38.1 | Very low | 40.3 | Very low | 53 Ų | 53 | 89.8 Ų | 89.8 | 34% | 0.344 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 150.3 | 159.8 | 26.3 | -33.6 | 0 | 0 | 0 | 110.5 | V185 | P162-V185 HydrophobicContact CB-CG1 3.73Å; P162-V185 WeakPolarHBondContact CB-O 3.48Å |
| 163 | L | 41.4 | Very low | 40.4 | Very low | 74 Ų | 74 | 88 Ų | 88 | 39% | 0.387 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 129.9 | 169.3 | -70.2 | 167.9 | 0 | 0 | 0 | 108.7 | W149 K158 I165 | W149-L163 HydrophobicContact CH2-CB 4.33Å; W149-L163 HydrophobicContact CH2-CD1 3.81Å; W149-L163 HydrophobicContact CZ3-CD1 3.89Å; K158-L163 HydrophobicContact CB-CD2 4.17Å; L163-I165 PolarHBondContact O-N 3.07Å |
| 164 | P | 40.6 | Very low | 40.4 | Very low | 100 Ų | 100 | 90.7 Ų | 90.7 | 65% | 0.649 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 126.2 | -176.4 | 25.6 | -34 | 0 | 0 | 0 | 109.9 | P166 | P164-P166 VanDerWaalsContact O-CD 3.27Å; P164-P166 WeakPolarHBondContact O-CD 3.33Å |
| 165 | I | 46.5 | Very low | 40.3 | Very low | 113 Ų | 113 | 95 Ų | 95 | 58% | 0.579 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 119.2 | 178.1 | -56.6 | 175.4 | 0 | 0 | 0 | 107.8 | L163 G167 L169 | L163-I165 PolarHBondContact O-N 3.07Å; I165-G167 PolarHBondContact O-N 3.31Å; I165-L169 HydrophobicContact CG2-CD1 4.37Å |
| 166 | P | 38.7 | Very low | 40.3 | Very low | 80 Ų | 80 | 99.3 Ų | 99.3 | 52% | 0.519 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 130.8 | 175.8 | -22.1 | 34 | 0 | 0 | 0 | 110.6 | P164 G168 L169 | P164-P166 VanDerWaalsContact O-CD 3.27Å; P164-P166 WeakPolarHBondContact O-CD 3.33Å; P166-G168 PolarHBondContact O-N 3.2Å; P166-L169 HydrophobicContact CG-CD1 4.44Å |
| 167 | G | 35.2 | Very low | 40.7 | Very low | 81 Ų | 81 | 99.7 Ų | 99.7 | 84% | 0.835 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | 51.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115 | R134 I165 | R134-G167 PolarHBondContact NH2-O 3.16Å; I165-G167 PolarHBondContact O-N 3.31Å |
| 168 | G | 40.8 | Very low | 41.1 | Very low | 30 Ų | 30 | 99.1 Ų | 99.1 | 31% | 0.309 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -168.2 | 14.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | P166 | P166-G168 PolarHBondContact O-N 3.2Š|
| 169 | L | 39.4 | Very low | 41.5 | Very low | 92 Ų | 92 | 95.2 Ų | 95.2 | 48% | 0.482 | 51% | 0.51 | S | S | . | . | trans | -89.7 | 128.7 | 176.8 | -68 | 169 | 0 | 0 | 0 | 110.7 | I165 P166 | I165-L169 HydrophobicContact CG2-CD1 4.37Å; P166-L169 HydrophobicContact CG-CD1 4.44Å | ||
| 170 | K | 40.6 | Very low | 42.1 | Very low | 208 Ų | 208 | 96.7 Ų | 96.7 | 90% | 0.904 | 51% | 0.513 | S | S | * | . | trans | -81.8 | -12.4 | 177.5 | -86.3 | -165.4 | 170.4 | -168.2 | 0 | 114.6 | R172 | K170-R172 PolarHBondContact O-N 3.39Å; K170-R172 VanDerWaalsContact O-N 3.1Å | ||
| 171 | N | 41 | Very low | 42.6 | Very low | 136 Ų | 136 | 95.2 Ų | 95.2 | 73% | 0.727 | 50% | 0.499 | S | S | * | . | trans | -78 | 96.9 | 177.9 | -76.4 | 21.7 | 0 | 0 | 0 | 110.3 | ||||
| 172 | R | 41.9 | Very low | 43.1 | Very low | 203 Ų | 203 | 97.5 Ų | 97.5 | 77% | 0.766 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 138.6 | 156.8 | -68.9 | -176.8 | 175.1 | -177.6 | -1.9 | 108 | K170 T755 | K170-R172 PolarHBondContact O-N 3.39Å; K170-R172 VanDerWaalsContact O-N 3.1Å; R172-T755 PolarHBondContact NH1-OG1 2.96Å |
| 173 | F | 49.9 | Very low | 43.2 | Very low | 86 Ų | 86 | 98.4 Ų | 98.4 | 38% | 0.377 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -78.7 | 149.9 | 172.9 | -62.1 | -89.9 | 0 | 0 | 0 | 110 | L154 L178 | L154-F173 HydrophobicContact CD1-CE1 4.07Å; L154-F173 HydrophobicContact CD2-CE1 3.95Å; L154-F173 HydrophobicContact CD2-CZ 4.01Å; F173-L178 HydrophobicContact CB-CB 4.22Å; F173-L178 HydrophobicContact CB-CD1 3.87Å; F173-L178 HydrophobicContact CD2-CD1 3.78Å; F173-L178 HydrophobicContact CG-CD1 4.04Å |
| 174 | D | 45.3 | Very low | 43.1 | Very low | 85 Ų | 85 | 98.3 Ų | 98.3 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 138.5 | 161.6 | 137.8 | 58.8 | 0 | 0 | 0 | 110 | W176 S177 L178 | D174-W176 VanDerWaalsContact C-N 3.28Å; D174-W176 PolarHBondContact O-N 2.82Å; D174-W176 VanDerWaalsContact OD1-CB 3.29Å; D174-W176 WeakPolarHBondContact OD1-CB 3.43Å; D174-W176 PolarHBondContact OD1-N 3.36Å; D174-S177 PolarHBondContact O-N 3.01Å; D174-S177 WeakPolarHBondContact OD2-CB 3.37Å; D174-S177 PolarHBondContact OD2-N 3.23Å; D174-S177 PolarHBondContact OD2-OG 3.11Å; D174-L178 WeakPolarHBondContact O-CB 3.21Å; D174-L178 PolarHBondContact O-N 3.39Å |
| 175 | L | 44.5 | Very low | 43.2 | Very low | 129 Ų | 129 | 95 Ų | 95 | 68% | 0.675 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.3 | -34.6 | -175.9 | -141.1 | 84.3 | 0 | 0 | 0 | 112.2 | N179 | L175-N179 WeakPolarHBondContact O-CB 3.45Å; L175-N179 PolarHBondContact O-N 3.37Å; L175-N179 PolarHBondContact O-ND2 3.45Å; L175-N179 VanDerWaalsContact O-ND2 3.11Å |
| 176 | W | 43.5 | Very low | 42.6 | Very low | 161 Ų | 161 | 92.6 Ų | 92.6 | 61% | 0.61 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -69.2 | -46.4 | 178.5 | -179.2 | 97 | 0 | 0 | 0 | 111.7 | D174 L178 N179 K180 | D174-W176 VanDerWaalsContact C-N 3.28Å; D174-W176 PolarHBondContact O-N 2.82Å; D174-W176 VanDerWaalsContact OD1-CB 3.29Å; D174-W176 WeakPolarHBondContact OD1-CB 3.43Å; D174-W176 PolarHBondContact OD1-N 3.36Å; W176-L178 VanDerWaalsContact C-N 3.33Å; W176-L178 PolarHBondContact O-N 3.14Å; W176-N179 PolarHBondContact O-N 3.46Å; W176-K180 HydrophobicContact CD2-CD 4.35Å; W176-K180 HydrophobicContact CE3-CD 4.21Å; W176-K180 HydrophobicContact CH2-CD 4.02Å; W176-K180 HydrophobicContact CZ2-CD 4.1Å; W176-K180 HydrophobicContact CZ3-CD 4.04Å; W176-K180 PolarHBondContact O-N 2.87Å |
| 177 | S | 47.8 | Very low | 42.6 | Very low | 46 Ų | 46 | 94.6 Ų | 94.6 | 32% | 0.322 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.7 | -44.5 | 173.5 | -65.9 | 0 | 0 | 0 | 0 | 111 | D174 K180 V181 | D174-S177 PolarHBondContact O-N 3.01Å; D174-S177 WeakPolarHBondContact OD2-CB 3.37Å; D174-S177 PolarHBondContact OD2-N 3.23Å; D174-S177 PolarHBondContact OD2-OG 3.11Å; S177-K180 PolarHBondContact O-N 3.5Å; S177-V181 WeakPolarHBondContact O-CB 3.42Å; S177-V181 WeakPolarHBondContact O-CG2 3.22Å; S177-V181 PolarHBondContact O-N 2.96Å; S177-V181 VanDerWaalsContact O-N 3.09Å |
| 178 | L | 47.2 | Very low | 42.7 | Very low | 59 Ų | 59 | 96.6 Ų | 96.6 | 31% | 0.309 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.2 | -34.9 | 177.6 | -162.5 | 137 | 0 | 0 | 0 | 112 | F173 D174 W176 V181 R182 | F173-L178 HydrophobicContact CB-CB 4.22Å; F173-L178 HydrophobicContact CB-CD1 3.87Å; F173-L178 HydrophobicContact CD2-CD1 3.78Å; F173-L178 HydrophobicContact CG-CD1 4.04Å; D174-L178 WeakPolarHBondContact O-CB 3.21Å; D174-L178 PolarHBondContact O-N 3.39Å; W176-L178 VanDerWaalsContact C-N 3.33Å; W176-L178 PolarHBondContact O-N 3.14Å; L178-V181 PolarHBondContact O-N 3.4Å; L178-R182 HydrophobicContact CD2-CG 4.11Å; L178-R182 WeakPolarHBondContact O-CB 3.35Å; L178-R182 VanDerWaalsContact O-CG 3.32Å; L178-R182 WeakPolarHBondContact O-CG 3.21Å; L178-R182 PolarHBondContact O-N 2.82Å |
| 179 | N | 46.1 | Very low | 42.3 | Very low | 74 Ų | 74 | 99.4 Ų | 99.4 | 40% | 0.396 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.3 | -37.5 | 173.1 | -80.3 | -31.6 | 0 | 0 | 0 | 113.6 | L175 W176 V181 R182 P183 | L175-N179 WeakPolarHBondContact O-CB 3.45Å; L175-N179 PolarHBondContact O-N 3.37Å; L175-N179 PolarHBondContact O-ND2 3.45Å; L175-N179 VanDerWaalsContact O-ND2 3.11Å; W176-N179 PolarHBondContact O-N 3.46Å; N179-V181 VanDerWaalsContact C-N 3.28Å; N179-V181 PolarHBondContact O-N 3.06Å; N179-R182 PolarHBondContact OD1-NH1 3Å; N179-P183 VanDerWaalsContact O-CD 3.23Å; N179-P183 WeakPolarHBondContact O-CD 3.29Å |
| 180 | K | 46.5 | Very low | 42.3 | Very low | 109 Ų | 109 | 103.8 Ų | 103.8 | 47% | 0.474 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.4 | -28.1 | 171.9 | -93.6 | -177 | 170.4 | 176 | 0 | 113.3 | F151 W176 S177 | F151-K180 HydrophobicContact CE2-CB 4.26Å; W176-K180 HydrophobicContact CD2-CD 4.35Å; W176-K180 HydrophobicContact CE3-CD 4.21Å; W176-K180 HydrophobicContact CH2-CD 4.02Å; W176-K180 HydrophobicContact CZ2-CD 4.1Å; W176-K180 HydrophobicContact CZ3-CD 4.04Å; W176-K180 PolarHBondContact O-N 2.87Å; S177-K180 PolarHBondContact O-N 3.5Å |
| 181 | V | 45.9 | Very low | 42.3 | Very low | 10 Ų | 10 | 95.8 Ų | 95.8 | 6% | 0.061 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -91.1 | -29.7 | -176.3 | 170.1 | 0 | 0 | 0 | 0 | 112.4 | F151 L154 S177 L178 N179 C184 V185 | F151-V181 HydrophobicContact CD2-CG2 3.65Å; F151-V181 HydrophobicContact CE2-CG2 3.71Å; L154-V181 HydrophobicContact CB-CG1 3.84Å; L154-V181 HydrophobicContact CB-CG2 4.44Å; L154-V181 HydrophobicContact CD1-CG1 4.45Å; L154-V181 HydrophobicContact CD1-CG2 4.21Å; L154-V181 HydrophobicContact CD2-CG1 4.34Å; L154-V181 HydrophobicContact CG-CG1 4.43Å; S177-V181 WeakPolarHBondContact O-CB 3.42Å; S177-V181 WeakPolarHBondContact O-CG2 3.22Å; S177-V181 PolarHBondContact O-N 2.96Å; S177-V181 VanDerWaalsContact O-N 3.09Å; L178-V181 PolarHBondContact O-N 3.4Å; N179-V181 VanDerWaalsContact C-N 3.28Å; N179-V181 PolarHBondContact O-N 3.06Å; V181-C184 PolarHBondContact O-N 2.97Å; V181-V185 HydrophobicContact CG1-CB 3.87Å; V181-V185 HydrophobicContact CG1-CG1 4.39Å; V181-V185 HydrophobicContact CG1-CG2 3.42Å; V181-V185 VanDerWaalsContact CG1-CG2 3.42Å; V181-V185 WeakPolarHBondContact O-CB 3.14Å; V181-V185 PolarHBondContact O-N 3.11Å; V181-V185 VanDerWaalsContact O-N 3.14Å |
| 182 | R | 44.1 | Very low | 42.7 | Very low | 118 Ų | 118 | 93 Ų | 93 | 45% | 0.445 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -43.7 | -49.2 | 175.8 | -92.4 | 167.5 | 170 | 173.8 | -5.6 | 113.8 | L178 N179 C184 G186 | L178-R182 HydrophobicContact CD2-CG 4.11Å; L178-R182 WeakPolarHBondContact O-CB 3.35Å; L178-R182 VanDerWaalsContact O-CG 3.32Å; L178-R182 WeakPolarHBondContact O-CG 3.21Å; L178-R182 PolarHBondContact O-N 2.82Å; N179-R182 PolarHBondContact OD1-NH1 3Å; R182-C184 VanDerWaalsContact C-N 3.28Å; R182-C184 PolarHBondContact O-N 3.33Å; R182-G186 PolarHBondContact O-N 2.63Å |
| 183 | P | 39.4 | Very low | 42.9 | Very low | 72 Ų | 72 | 90.6 Ų | 90.6 | 47% | 0.468 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.8 | -24.9 | 177.3 | -23.6 | 34.9 | 0 | 0 | 0 | 115.6 | N179 L189 | N179-P183 VanDerWaalsContact O-CD 3.23Å; N179-P183 WeakPolarHBondContact O-CD 3.29Å; P183-L189 HydrophobicContact CB-CD1 4.22Å; P183-L189 HydrophobicContact CG-CD1 4.31Å |
| 184 | C | 40.9 | Very low | 43.4 | Very low | 73 Ų | 73 | 92.6 Ų | 92.6 | 49% | 0.493 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -97.6 | -14.4 | -173.8 | -59.3 | 0 | 0 | 0 | 0 | 113.4 | I155 V181 R182 | I155-C184 HydrophobicContact CG1-CB 4.06Å; V181-C184 PolarHBondContact O-N 2.97Å; R182-C184 VanDerWaalsContact C-N 3.28Å; R182-C184 PolarHBondContact O-N 3.33Å |
| 185 | V | 41.3 | Very low | 44.6 | Very low | 29 Ų | 29 | 89 Ų | 89 | 18% | 0.176 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -129.2 | -6.1 | -162.5 | 179.3 | 0 | 0 | 0 | 0 | 113.9 | L154 I155 P162 V181 | L154-V185 WeakPolarHBondContact O-CG2 3.42Å; I155-V185 HydrophobicContact CG1-CG2 4.47Å; P162-V185 HydrophobicContact CB-CG1 3.73Å; P162-V185 WeakPolarHBondContact CB-O 3.48Å; V181-V185 HydrophobicContact CG1-CB 3.87Å; V181-V185 HydrophobicContact CG1-CG1 4.39Å; V181-V185 HydrophobicContact CG1-CG2 3.42Å; V181-V185 VanDerWaalsContact CG1-CG2 3.42Å; V181-V185 WeakPolarHBondContact O-CB 3.14Å; V181-V185 PolarHBondContact O-N 3.11Å; V181-V185 VanDerWaalsContact O-N 3.14Å |
| 186 | G | 35 | Very low | 46.4 | Very low | 64 Ų | 64 | 84 Ų | 84 | 66% | 0.66 | 43% | 0.432 | S | S | * | . | trans | 83.2 | 23.2 | 158 | 0 | 0 | 0 | 0 | 0 | 117.3 | R182 | R182-G186 PolarHBondContact O-N 2.63Š| ||
| 187 | M | 37.7 | Very low | 47.8 | Very low | 121 Ų | 121 | 79 Ų | 79 | 60% | 0.596 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -78.3 | 155.2 | 157.3 | -78.3 | -161.6 | 137.5 | 0 | 0 | 110.3 | L189 | M187-L189 VanDerWaalsContact C-N 3.34Å; M187-L189 PolarHBondContact O-N 2.88Å |
| 188 | P | 38.7 | Very low | 49.3 | Very low | 124 Ų | 124 | 79 Ų | 79 | 81% | 0.805 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -75.7 | 70.9 | -138.9 | 28.5 | -37.5 | 0 | 0 | 0 | 116.7 | ||
| 189 | L | 32 | Very low | 51 | Low | 88 Ų | 88 | 76.2 Ų | 76.2 | 46% | 0.461 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -56.5 | 128.9 | 142.3 | -73.7 | 158.9 | 0 | 0 | 0 | 107.9 | P183 M187 A191 | P183-L189 HydrophobicContact CB-CD1 4.22Å; P183-L189 HydrophobicContact CG-CD1 4.31Å; M187-L189 VanDerWaalsContact C-N 3.34Å; M187-L189 PolarHBondContact O-N 2.88Å; L189-A191 PolarHBondContact O-N 3.48Å |
| 190 | R | 38 | Very low | 52.9 | Low | 185 Ų | 185 | 78.3 Ų | 78.3 | 70% | 0.698 | 41% | 0.405 | S | S | * | . | trans | -24.4 | 101.6 | -174.7 | -79.7 | -174 | 173.4 | 177 | -2.8 | 112.6 | Q192 M193 | R190-Q192 PolarHBondContact O-N 2.73Å; R190-M193 HydrophobicContact CB-CG 4.45Å; R190-M193 PolarHBondContact O-N 2.77Å | ||
| 191 | A | 42.1 | Very low | 54.7 | Low | 39 Ų | 39 | 80.4 Ų | 80.4 | 32% | 0.322 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | -35.9 | -166.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L189 M193 Y194 M195 V506 | L189-A191 PolarHBondContact O-N 3.48Å; A191-M193 PolarHBondContact O-N 3.07Å; A191-Y194 PolarHBondContact O-N 3.47Å; A191-M195 WeakPolarHBondContact O-CB 3.35Å; A191-M195 PolarHBondContact O-N 3Å; A191-V506 HydrophobicContact CB-CG1 3.87Å |
| 192 | Q | 47.9 | Very low | 56.8 | Low | 79 Ų | 79 | 80.5 Ų | 80.5 | 37% | 0.369 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -37.9 | -41.5 | 168.3 | -66.2 | 166.3 | -9.4 | 0 | 0 | 114.7 | R190 Y194 V506 | R190-Q192 PolarHBondContact O-N 2.73Å; Q192-Y194 VanDerWaalsContact C-N 3.26Å; Q192-Y194 PolarHBondContact O-N 3.25Å; Q192-V506 WeakPolarHBondContact CG-O 3.35Å |
| 193 | M | 46.6 | Very low | 58.9 | Low | 151 Ų | 151 | 77.6 Ų | 77.6 | 74% | 0.744 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -69.8 | -20.3 | -176 | -65 | -160.8 | 73.1 | 0 | 0 | 114.1 | R190 A191 | R190-M193 HydrophobicContact CB-CG 4.45Å; R190-M193 PolarHBondContact O-N 2.77Å; A191-M193 PolarHBondContact O-N 3.07Å |
| 194 | Y | 60.9 | Low | 61.3 | Low | 129 Ų | 129 | 77 Ų | 77 | 51% | 0.506 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -121.9 | -16.9 | 179.8 | -67 | -73.7 | 0 | 0 | 0 | 113.9 | A191 Q192 K196 S197 I198 | A191-Y194 PolarHBondContact O-N 3.47Å; Q192-Y194 VanDerWaalsContact C-N 3.26Å; Q192-Y194 PolarHBondContact O-N 3.25Å; Y194-K196 PolarHBondContact O-N 2.68Å; Y194-S197 WeakPolarHBondContact O-CA 3.47Å; Y194-S197 VanDerWaalsContact O-CB 3.32Å; Y194-S197 WeakPolarHBondContact O-CB 3.45Å; Y194-S197 PolarHBondContact O-N 3.46Å; Y194-I198 PolarHBondContact O-N 3Å; Y194-I198 VanDerWaalsContact O-N 3.08Å |
| 195 | M | 71.1 | Confident | 63.5 | Low | 9 Ų | 9 | 75 Ų | 75 | 4% | 0.044 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -58 | -43.8 | -174 | -168 | 60.2 | 84.2 | 0 | 0 | 112.5 | A191 S197 I198 I199 H504 D507 D554 T556 | A191-M195 WeakPolarHBondContact O-CB 3.35Å; A191-M195 PolarHBondContact O-N 3Å; M195-S197 PolarHBondContact O-N 3Å; M195-S197 VanDerWaalsContact O-N 3.13Å; M195-I198 WeakPolarHBondContact O-CA 3.5Å; M195-I198 WeakPolarHBondContact O-CB 3.26Å; M195-I198 PolarHBondContact O-N 3.48Å; M195-I198 HydrophobicContact SD-CB 4.36Å; M195-I198 HydrophobicContact SD-CD1 4.28Å; M195-I199 HydrophobicContact CG-CD1 3.88Å; M195-I199 HydrophobicContact CG-CG1 4.32Å; M195-I199 WeakPolarHBondContact O-CG1 3.46Å; M195-I199 PolarHBondContact O-N 3.12Å; M195-H504 VanDerWaalsContact CG-CE1 3.5Å; M195-H504 WeakPolarHBondContact CG-CE1 3.37Å; M195-D507 HydrophobicContact CG-CB 4.48Å; M195-D554 WeakPolarHBondContact CE-O 3.41Å; M195-T556 HydrophobicContact CE-CG2 4.44Å |
| 196 | K | 81.3 | Confident | 65.8 | Low | 25 Ų | 25 | 75 Ų | 75 | 11% | 0.109 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -54.3 | -32.6 | 171.8 | -62.5 | -176.1 | 179.5 | -173 | 0 | 113.8 | Y194 R200 E509 V510 D524 L531 | Y194-K196 PolarHBondContact O-N 2.68Å; K196-R200 WeakPolarHBondContact O-CB 3.32Å; K196-R200 WeakPolarHBondContact O-CD 3.4Å; K196-R200 WeakPolarHBondContact O-CG 3.28Å; K196-R200 PolarHBondContact O-N 2.68Å; K196-E509 WeakPolarHBondContact CE-OE2 3.39Å; K196-E509 IonicContact NZ-OE2 3.53Å; K196-E509 PolarHBondContact NZ-OE2 3.39Å; K196-V510 HydrophobicContact CG-CG2 4.06Å; K196-D524 VanDerWaalsContact CD-OD2 3.27Å; K196-D524 WeakPolarHBondContact CD-OD2 3Å; K196-D524 VanDerWaalsContact CE-OD2 3.26Å; K196-D524 WeakPolarHBondContact CE-OD2 3.45Å; K196-D524 IonicContact NZ-OD1 2.76Å; K196-D524 PolarHBondContact NZ-OD1 2.87Å; K196-D524 VanDerWaalsContact NZ-OD1 3.13Å; K196-D524 IonicContact NZ-OD2 2.99Å; K196-D524 PolarHBondContact NZ-OD2 3.27Å; K196-L531 HydrophobicContact CB-CD1 4.44Å; K196-L531 HydrophobicContact CB-CD2 4.2Å; K196-L531 HydrophobicContact CG-CD1 4.15Å |
| 197 | S | 74.1 | Confident | 68.5 | Low | 55 Ų | 55 | 73.6 Ų | 73.6 | 39% | 0.385 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -82 | -22.7 | 177.1 | -61.7 | 0 | 0 | 0 | 0 | 113.6 | Y194 M195 R201 | Y194-S197 WeakPolarHBondContact O-CA 3.47Å; Y194-S197 VanDerWaalsContact O-CB 3.32Å; Y194-S197 WeakPolarHBondContact O-CB 3.45Å; Y194-S197 PolarHBondContact O-N 3.46Å; M195-S197 PolarHBondContact O-N 3Å; M195-S197 VanDerWaalsContact O-N 3.13Å; S197-R201 WeakPolarHBondContact O-CD 3.34Å; S197-R201 WeakPolarHBondContact O-CG 3.45Å |
| 198 | I | 77.4 | Confident | 71 | Confident | 47 Ų | 47 | 67.9 Ų | 67.9 | 24% | 0.241 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -75.5 | -45.9 | 169.4 | -61.3 | 174 | 0 | 0 | 0 | 108.9 | Y194 M195 R200 R201 F202 V572 | Y194-I198 PolarHBondContact O-N 3Å; Y194-I198 VanDerWaalsContact O-N 3.08Å; M195-I198 WeakPolarHBondContact O-CA 3.5Å; M195-I198 WeakPolarHBondContact O-CB 3.26Å; M195-I198 PolarHBondContact O-N 3.48Å; M195-I198 HydrophobicContact SD-CB 4.36Å; M195-I198 HydrophobicContact SD-CD1 4.28Å; I198-R200 PolarHBondContact O-N 3.39Å; I198-R201 CarbonylContact O-C 3.46Å; I198-R201 WeakPolarHBondContact O-CA 3.47Å; I198-R201 WeakPolarHBondContact O-CB 3.44Å; I198-R201 PolarHBondContact O-N 3.33Å; I198-F202 HydrophobicContact CG2-CE1 4.17Å; I198-F202 WeakPolarHBondContact O-CD1 3.29Å; I198-F202 PolarHBondContact O-N 2.97Å; I198-V572 HydrophobicContact CG2-CG2 3.57Å; I198-V572 WeakPolarHBondContact O-CG2 3.29Å |
| 199 | I | 84.6 | Confident | 73.6 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.4 | -40.8 | 178.5 | -68.2 | 173.7 | 0 | 0 | 0 | 112.1 | M195 R201 F202 V510 L522 L531 F532 | M195-I199 HydrophobicContact CG-CD1 3.88Å; M195-I199 HydrophobicContact CG-CG1 4.32Å; M195-I199 WeakPolarHBondContact O-CG1 3.46Å; M195-I199 PolarHBondContact O-N 3.12Å; I199-R201 PolarHBondContact O-N 3.09Å; I199-F202 HydrophobicContact CG1-CE1 4.11Å; I199-F202 HydrophobicContact CG1-CE2 4.33Å; I199-F202 HydrophobicContact CG1-CZ 3.96Å; I199-F202 WeakPolarHBondContact O-CB 3.21Å; I199-F202 PolarHBondContact O-N 2.66Å; I199-V510 HydrophobicContact CD1-CG1 3.76Å; I199-V510 HydrophobicContact CD1-CG2 4.26Å; I199-L522 HydrophobicContact CG2-CB 4.1Å; I199-L522 HydrophobicContact CG2-CD1 3.54Å; I199-L522 HydrophobicContact CG2-CG 4.46Å; I199-L531 HydrophobicContact CG2-CB 3.79Å; I199-L531 HydrophobicContact CG2-CD1 4.4Å; I199-F532 HydrophobicContact CG2-CB 4.22Å |
| 200 | R | 86.1 | Confident | 76.3 | Confident | 118 Ų | 118 | 60.1 Ų | 60.1 | 45% | 0.445 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -6.3 | 170.1 | -75.5 | 166.5 | 177.8 | 149.1 | 1.8 | 114 | K196 I198 E527 L531 | K196-R200 WeakPolarHBondContact O-CB 3.32Å; K196-R200 WeakPolarHBondContact O-CD 3.4Å; K196-R200 WeakPolarHBondContact O-CG 3.28Å; K196-R200 PolarHBondContact O-N 2.68Å; I198-R200 PolarHBondContact O-N 3.39Å; R200-E527 IonicContact NH2-OE1 3.55Å; R200-E527 IonicContact NH2-OE2 3.19Å; R200-E527 PolarHBondContact NH2-OE2 3.01Å; R200-L531 HydrophobicContact CG-CB 4.39Å; R200-L531 HydrophobicContact CG-CD2 3.93Å |
| 201 | R | 84.3 | Confident | 78.9 | Confident | 153 Ų | 153 | 51.5 Ų | 51.5 | 58% | 0.577 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -116 | 9.4 | 174.1 | -61 | 172.3 | 177.8 | 178.9 | -0.1 | 113.1 | S197 I198 I199 V572 | S197-R201 WeakPolarHBondContact O-CD 3.34Å; S197-R201 WeakPolarHBondContact O-CG 3.45Å; I198-R201 CarbonylContact O-C 3.46Å; I198-R201 WeakPolarHBondContact O-CA 3.47Å; I198-R201 WeakPolarHBondContact O-CB 3.44Å; I198-R201 PolarHBondContact O-N 3.33Å; I199-R201 PolarHBondContact O-N 3.09Å; R201-V572 HydrophobicContact CB-CG1 4.18Å; R201-V572 HydrophobicContact CB-CG2 4.2Å |
| 202 | F | 88.9 | Confident | 81.1 | Confident | 12 Ų | 12 | 51.7 Ų | 51.7 | 5% | 0.053 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 138.4 | 171.4 | -83 | 15.4 | 0 | 0 | 0 | 110 | I198 I199 L522 F532 F551 T556 L558 V572 | I198-F202 HydrophobicContact CG2-CE1 4.17Å; I198-F202 WeakPolarHBondContact O-CD1 3.29Å; I198-F202 PolarHBondContact O-N 2.97Å; I199-F202 HydrophobicContact CG1-CE1 4.11Å; I199-F202 HydrophobicContact CG1-CE2 4.33Å; I199-F202 HydrophobicContact CG1-CZ 3.96Å; I199-F202 WeakPolarHBondContact O-CB 3.21Å; I199-F202 PolarHBondContact O-N 2.66Å; F202-L522 HydrophobicContact CD2-CD1 3.78Å; F202-L522 HydrophobicContact CE2-CD1 3.89Å; F202-F532 HydrophobicContact CB-CD1 4.49Å; F202-F532 HydrophobicContact CB-CD2 3.76Å; F202-F532 HydrophobicContact CB-CE2 3.95Å; F202-F532 HydrophobicContact CB-CG 4.06Å; F202-F532 HydrophobicContact CB-CZ 4.38Å; F202-F532 WeakPolarHBondContact O-CD2 3.46Å; F202-F532 WeakPolarHBondContact O-CE2 3.43Å; F202-F551 HydrophobicContact CE2-CE1 4.4Å; F202-T556 VanDerWaalsContact CE1-O 3.25Å; F202-T556 WeakPolarHBondContact CE1-O 3.45Å; F202-T556 WeakPolarHBondContact CZ-O 3.34Å; F202-L558 HydrophobicContact CD2-CD2 4.35Å; F202-L558 HydrophobicContact CE2-CD2 4.05Å; F202-L558 HydrophobicContact CE2-CG 4.43Å; F202-V572 HydrophobicContact CD1-CG2 3.82Å; F202-V572 HydrophobicContact CE1-CG2 4.16Å |
| 203 | N | 88.1 | Confident | 83.1 | Confident | 57 Ų | 57 | 50.1 Ų | 50.1 | 31% | 0.305 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 159 | 168.4 | 59.8 | -97.8 | 0 | 0 | 0 | 109.2 | Q205 F570 G571 G573 | N203-Q205 PolarHBondContact O-N 3.01Å; N203-F570 WeakPolarHBondContact O-CA 3.4Å; N203-G571 PolarHBondContact N-O 3.19Å; N203-G571 PolarHBondContact O-N 3.09Å; N203-G571 VanDerWaalsContact O-N 3.15Å; N203-G571 PolarHBondContact OD1-O 2.97Å; N203-G573 PolarHBondContact ND2-O 3.11Å; N203-G573 WeakPolarHBondContact OD1-CA 3.18Å; N203-G573 PolarHBondContact OD1-N 3.01Å; N203-G573 PolarHBondContact OD1-O 3.38Å |
| 204 | L | 90 | Very high | 85.1 | Confident | 60 Ų | 60 | 43.6 Ų | 43.6 | 31% | 0.314 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 121.8 | 162.7 | -179.5 | 59.5 | 0 | 0 | 0 | 107.5 | V207 R568 F570 | L204-V207 HydrophobicContact CD1-CG2 4.1Å; L204-V207 HydrophobicContact CD2-CG2 3.88Å; L204-V207 HydrophobicContact CG-CG2 4.37Å; L204-R568 HydrophobicContact CD1-CB 4.04Å; L204-F570 HydrophobicContact CB-CD1 4.06Å; L204-F570 HydrophobicContact CB-CE1 3.91Å; L204-F570 HydrophobicContact CD1-CD1 4.08Å; L204-F570 HydrophobicContact CD1-CE1 3.71Å; L204-F570 HydrophobicContact CD1-CE2 4.27Å; L204-F570 HydrophobicContact CD1-CZ 3.83Å; L204-F570 HydrophobicContact CG-CE1 4.35Å |
| 205 | Q | 88 | Confident | 86.5 | Confident | 30 Ų | 30 | 37.6 Ų | 37.6 | 14% | 0.14 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | -37 | -178.5 | -58.4 | -162.5 | -48.4 | 0 | 0 | 111.3 | N203 I569 V572 G573 L575 | N203-Q205 PolarHBondContact O-N 3.01Å; Q205-I569 WeakPolarHBondContact CB-O 3.48Å; Q205-I569 PolarHBondContact N-O 2.87Å; Q205-V572 PolarHBondContact NE2-O 3.38Å; Q205-G573 WeakPolarHBondContact CG-O 3.42Å; Q205-G573 PolarHBondContact NE2-O 3.36Å; Q205-L575 HydrophobicContact CB-CD1 4.47Å; Q205-L575 HydrophobicContact CB-CD2 4.29Å; Q205-L575 HydrophobicContact CB-CG 4.09Å |
| 206 | K | 89.4 | Confident | 87.3 | Confident | 28 Ų | 28 | 37.4 Ų | 37.4 | 12% | 0.122 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 141.2 | -179.7 | -177 | 67.3 | 178.7 | -177.9 | 0 | 110.9 | I208 A244 R568 I569 L575 P578 G579 P580 | K206-I208 HydrophobicContact CD-CG1 4.5Å; K206-I208 HydrophobicContact CG-CD1 4.3Å; K206-I208 HydrophobicContact CG-CG1 3.62Å; K206-A244 HydrophobicContact CB-CB 4.33Å; K206-A244 HydrophobicContact CG-CB 3.93Å; K206-R568 WeakPolarHBondContact O-CA 3.36Å; K206-I569 PolarHBondContact N-O 3.06Å; K206-I569 PolarHBondContact O-N 3Å; K206-L575 HydrophobicContact CB-CD1 3.8Å; K206-L575 HydrophobicContact CG-CD1 4.47Å; K206-P578 HydrophobicContact CD-CB 4.34Å; K206-G579 PolarHBondContact NZ-O 3.43Å; K206-P580 VanDerWaalsContact CE-O 3.27Å; K206-P580 WeakPolarHBondContact CE-O 3.43Å; K206-P580 PolarHBondContact NZ-O 3.04Å |
| 207 | V | 90.5 | Very high | 87.5 | Confident | 36 Ų | 36 | 36.4 Ų | 36.4 | 22% | 0.218 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 134.4 | 155.8 | -174.6 | 0 | 0 | 0 | 0 | 107.2 | L204 R566 M567 R568 | L204-V207 HydrophobicContact CD1-CG2 4.1Å; L204-V207 HydrophobicContact CD2-CG2 3.88Å; L204-V207 HydrophobicContact CG-CG2 4.37Å; V207-R566 HydrophobicContact CG1-CB 4.33Å; V207-M567 WeakPolarHBondContact CA-O 3.5Å; V207-R568 HydrophobicContact CG1-CG 4.28Å; V207-R568 HydrophobicContact CG2-CG 4.18Å |
| 208 | I | 91.7 | Very high | 88.3 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 133 | 171.5 | -42 | -177.9 | 0 | 0 | 0 | 107.9 | K206 W239 A244 R566 M567 I569 K581 Q583 | K206-I208 HydrophobicContact CD-CG1 4.5Å; K206-I208 HydrophobicContact CG-CD1 4.3Å; K206-I208 HydrophobicContact CG-CG1 3.62Å; I208-W239 HydrophobicContact CD1-CE3 4.04Å; I208-W239 HydrophobicContact CD1-CZ3 4.13Å; I208-W239 HydrophobicContact CG2-CH2 4.04Å; I208-W239 HydrophobicContact CG2-CZ3 3.82Å; I208-A244 HydrophobicContact CD1-CB 3.86Å; I208-R566 CarbonylContact O-C 3.47Å; I208-R566 WeakPolarHBondContact O-CA 3.36Å; I208-M567 HydrophobicContact CD1-CE 3.64Å; I208-M567 HydrophobicContact CG1-CE 4.34Å; I208-M567 PolarHBondContact N-O 3.08Å; I208-M567 PolarHBondContact O-N 2.97Å; I208-I569 HydrophobicContact CD1-CD1 4.35Å; I208-K581 CarbonylContact C-O 3.59Å; I208-K581 VanDerWaalsContact CA-O 3.31Å; I208-K581 WeakPolarHBondContact CA-O 3.19Å; I208-Q583 HydrophobicContact CG2-CB 3.98Å; I208-Q583 HydrophobicContact CG2-CG 4.01Å |
| 209 | F | 92 | Very high | 88.9 | Confident | 46 Ų | 46 | 32 Ų | 32 | 20% | 0.202 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 123.9 | 164.1 | -176.2 | -142.7 | 0 | 0 | 0 | 107.4 | H211 L564 R566 K581 E582 Q583 F584 N620 | F209-H211 WeakPolarHBondContact CE2-O 3.47Å; F209-L564 WeakPolarHBondContact CE2-O 3.47Å; F209-R566 HydrophobicContact CB-CG 4.33Å; F209-R566 HydrophobicContact CD2-CG 3.94Å; F209-R566 HydrophobicContact CG-CG 4.43Å; F209-K581 PolarHBondContact N-O 3.47Å; F209-E582 HydrophobicContact CB-CG 4.17Å; F209-E582 HydrophobicContact CD1-CG 4.09Å; F209-E582 CarbonylContact O-C 3.59Å; F209-E582 VanDerWaalsContact O-CA 3.28Å; F209-E582 WeakPolarHBondContact O-CA 3.22Å; F209-Q583 PolarHBondContact O-N 3.33Å; F209-F584 HydrophobicContact CD1-CE2 4.32Å; F209-N620 HydrophobicContact CD1-CB 4.21Å; F209-N620 HydrophobicContact CE1-CB 3.81Å; F209-N620 WeakPolarHBondContact CE1-OD1 3.16Å |
| 210 | G | 89.2 | Confident | 89 | Confident | 3 Ų | 3 | 32.6 Ų | 32.6 | 3% | 0.031 | 16% | 0.156 | C | C | . | . | trans | -158.3 | 9.9 | -166.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | K237 G565 F584 | G210-K237 WeakPolarHBondContact O-CD 3.38Å; G210-K237 WeakPolarHBondContact O-CE 3.41Å; G210-G565 PolarHBondContact N-O 3.26Å; G210-F584 VanDerWaalsContact C-CE1 3.42Å | ||
| 211 | H | 92.5 | Very high | 89.1 | Confident | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.019 | 14% | 0.135 | C | C | . | . | trans | -138.4 | 147.4 | 167.6 | -78.8 | -91.2 | 0 | 0 | 0 | 106.7 | F209 V215 T229 D233 L235 G565 | F209-H211 WeakPolarHBondContact CE2-O 3.47Å; H211-V215 HydrophobicContact CB-CG2 3.46Å; H211-V215 VanDerWaalsContact CB-CG2 3.46Å; H211-V215 VanDerWaalsContact CD2-CG2 3.47Å; H211-V215 WeakPolarHBondContact CD2-CG2 3.47Å; H211-V215 VanDerWaalsContact CG-CG2 3.5Å; H211-T229 PolarHBondContact NE2-OG1 3.19Å; H211-D233 WeakPolarHBondContact CA-OD2 3.32Å; H211-D233 WeakPolarHBondContact CB-OD2 3.11Å; H211-D233 IonicContact CE1-OD1 3.2Å; H211-D233 IonicContact CG-OD1 2.76Å; H211-D233 IonicContact CG-OD2 3.84Å; H211-D233 IonicContact ND1-OD1 2.85Å; H211-D233 PolarHBondContact ND1-OD1 2.82Å; H211-D233 IonicContact ND1-OD2 2.65Å; H211-D233 PolarHBondContact ND1-OD2 2.93Å; H211-L235 PolarHBondContact CE1-O 2.8Å; H211-G565 PolarHBondContact N-O 2.81Å; H211-G565 VanDerWaalsContact O-CA 3.3Å; H211-G565 WeakPolarHBondContact O-CA 3.44Å | ||
| 212 | L | 89.4 | Confident | 89 | Confident | 42 Ų | 42 | 20.9 Ų | 20.9 | 22% | 0.22 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -82.9 | -19.4 | 178.7 | -65.2 | -176.8 | 0 | 0 | 0 | 112.5 | D233 F584 F589 N620 L655 | L212-D233 PolarHBondContact N-OD2 2.85Å; L212-F584 HydrophobicContact CD2-CE1 3.86Å; L212-F584 HydrophobicContact CD2-CZ 3.87Å; L212-F584 HydrophobicContact CG-CE1 4.1Å; L212-F589 HydrophobicContact CB-CZ 4.42Å; L212-F589 HydrophobicContact CD1-CD2 4.31Å; L212-F589 HydrophobicContact CD1-CE1 3.94Å; L212-F589 HydrophobicContact CD1-CE2 3.58Å; L212-F589 HydrophobicContact CD1-CZ 3.37Å; L212-F589 HydrophobicContact CG-CE1 4.44Å; L212-F589 HydrophobicContact CG-CE2 4.02Å; L212-F589 HydrophobicContact CG-CZ 3.62Å; L212-N620 VanDerWaalsContact CD2-OD1 3.22Å; L212-N620 WeakPolarHBondContact CD2-OD1 3.47Å; L212-L655 HydrophobicContact CD1-CD1 3.73Å |
| 213 | S | 88.1 | Confident | 88.4 | Confident | 47 Ų | 47 | 22 Ų | 22 | 33% | 0.329 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -121.1 | -175.4 | -179.1 | -165 | 0 | 0 | 0 | 0 | 111.8 | G565 | S213-G565 WeakPolarHBondContact O-CA 3.47Å; S213-G565 PolarHBondContact O-N 2.7Å; S213-G565 VanDerWaalsContact O-N 3.13Å |
| 214 | S | 89.4 | Confident | 87.9 | Confident | 14 Ų | 14 | 20 Ų | 20 | 10% | 0.098 | 12% | 0.117 | C | C | . | . | trans | -55.4 | 140.7 | 174 | 144.8 | 0 | 0 | 0 | 0 | 111.7 | P216 D232 K547 N563 | S214-P216 WeakPolarHBondContact O-CD 3.45Å; S214-D232 WeakPolarHBondContact CB-OD2 3.44Å; S214-D232 PolarHBondContact O-N 2.67Å; S214-D232 PolarHBondContact OG-OD2 3.25Å; S214-K547 WeakPolarHBondContact OG-CE 2.99Å; S214-K547 PolarHBondContact OG-NZ 2.8Å; S214-N563 WeakPolarHBondContact CA-O 3.29Å; S214-N563 WeakPolarHBondContact CB-O 3.45Å | ||
| 215 | V | 91.2 | Very high | 87.5 | Confident | 3 Ų | 3 | 22.1 Ų | 22.1 | 2% | 0.018 | 12% | 0.123 | C | C | . | . | trans | -111.5 | 85.8 | -179 | -178.9 | 0 | 0 | 0 | 0 | 109.5 | H211 T229 K547 T561 T562 | H211-V215 HydrophobicContact CB-CG2 3.46Å; H211-V215 VanDerWaalsContact CB-CG2 3.46Å; H211-V215 VanDerWaalsContact CD2-CG2 3.47Å; H211-V215 WeakPolarHBondContact CD2-CG2 3.47Å; H211-V215 VanDerWaalsContact CG-CG2 3.5Å; V215-T229 HydrophobicContact CG1-CG2 4.02Å; V215-K547 WeakPolarHBondContact O-CB 3.35Å; V215-T561 HydrophobicContact CB-CG2 4.35Å; V215-T561 HydrophobicContact CG1-CG2 3.62Å; V215-T561 WeakPolarHBondContact O-CB 3.37Å; V215-T561 PolarHBondContact O-OG1 2.89Å; V215-T562 PolarHBondContact N-O 2.84Å | ||
| 216 | P | 86.5 | Confident | 87.6 | Confident | 4 Ų | 4 | 21.7 Ų | 21.7 | 3% | 0.026 | 12% | 0.12 | C | C | . | . | trans | -72.1 | -39.7 | -171.4 | 27.1 | -36.1 | 0 | 0 | 0 | 114.8 | S214 G230 I257 S826 | S214-P216 WeakPolarHBondContact O-CD 3.45Å; P216-G230 VanDerWaalsContact CD-O 3.3Å; P216-G230 WeakPolarHBondContact CD-O 3.22Å; P216-I257 WeakPolarHBondContact CG-O 3.43Å; P216-S826 WeakPolarHBondContact CB-O 3.46Å | ||
| 217 | C | 86.5 | Confident | 87.7 | Confident | 4 Ų | 4 | 20.4 Ų | 20.4 | 3% | 0.027 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 146.6 | -173.8 | 56.2 | 0 | 0 | 0 | 0 | 111.9 | G230 | C217-G230 PolarHBondContact O-N 3.08Å; C217-G230 VanDerWaalsContact SG-CA 3.54Å; C217-G230 PolarHBondContact SG-O 3.38Å |
| 218 | L | 90.7 | Very high | 87.9 | Confident | 9 Ų | 9 | 18.7 Ų | 18.7 | 5% | 0.047 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 130.2 | -178.1 | 175.6 | 72.4 | 0 | 0 | 0 | 106.6 | F227 I228 T229 L550 C559 T561 | L218-F227 HydrophobicContact CD1-CB 4.18Å; L218-F227 HydrophobicContact CD1-CD1 4.06Å; L218-F227 HydrophobicContact CD1-CG 4.37Å; L218-I228 CarbonylContact C-O 3.44Å; L218-I228 WeakPolarHBondContact CA-O 3.33Å; L218-T229 HydrophobicContact CD1-CG2 3.66Å; L218-L550 HydrophobicContact CB-CD1 4.38Å; L218-L550 HydrophobicContact CD2-CB 4Å; L218-L550 HydrophobicContact CD2-CD1 4.16Å; L218-L550 HydrophobicContact CD2-CG 3.99Å; L218-L550 HydrophobicContact CG-CD1 4.06Å; L218-L550 HydrophobicContact CG-CG 4.43Å; L218-L550 WeakPolarHBondContact O-CD1 3.36Å; L218-C559 HydrophobicContact CD2-CB 4.07Å; L218-T561 HydrophobicContact CB-CG2 4.01Å; L218-T561 HydrophobicContact CD1-CG2 3.97Å; L218-T561 HydrophobicContact CD2-CG2 4.26Å; L218-T561 HydrophobicContact CG-CG2 4.3Å |
| 219 | A | 90.4 | Very high | 88 | Confident | 2 Ų | 2 | 18.7 Ų | 18.7 | 2% | 0.017 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 166.3 | 174 | 0 | 0 | 0 | 0 | 0 | 110.4 | I228 I262 | A219-I228 HydrophobicContact CB-CB 4.46Å; A219-I228 PolarHBondContact N-O 3.25Å; A219-I228 PolarHBondContact O-N 2.88Å; A219-I262 HydrophobicContact CB-CD1 3.95Å; A219-I262 HydrophobicContact CB-CG1 4.36Å |
| 220 | V | 86.6 | Confident | 88.1 | Confident | 11 Ų | 11 | 16.5 Ų | 16.5 | 7% | 0.067 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 134.3 | 176.2 | -150.5 | 0 | 0 | 0 | 0 | 108.9 | Y226 F227 L550 | V220-Y226 WeakPolarHBondContact CG1-O 3.5Å; V220-F227 HydrophobicContact CB-CD1 4.28Å; V220-F227 HydrophobicContact CB-CE1 4.3Å; V220-F227 HydrophobicContact CG1-CD1 3.86Å; V220-F227 HydrophobicContact CG1-CE1 3.79Å; V220-F227 HydrophobicContact CG2-CD1 3.8Å; V220-F227 HydrophobicContact CG2-CE1 3.6Å; V220-L550 HydrophobicContact CG2-CB 4.3Å; V220-L550 HydrophobicContact CG2-CD1 4.03Å |
| 221 | D | 87.8 | Confident | 88.2 | Confident | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | trans | -67.1 | 158.7 | 177.9 | 95.8 | -73.6 | 0 | 0 | 0 | 111.9 | T223 G224 K225 Y226 I262 N266 | D221-T223 PolarHBondContact O-N 2.87Å; D221-T223 PolarHBondContact OD1-OG1 2.83Å; D221-T223 WeakPolarHBondContact OD2-CA 3.38Å; D221-T223 WeakPolarHBondContact OD2-CB 3.01Å; D221-T223 WeakPolarHBondContact OD2-CG2 3.35Å; D221-T223 PolarHBondContact OD2-N 3.35Å; D221-T223 PolarHBondContact OD2-OG1 3.37Å; D221-G224 PolarHBondContact O-N 2.75Å; D221-G224 PolarHBondContact OD1-N 3.06Å; D221-G224 VanDerWaalsContact OD1-N 3.08Å; D221-K225 PolarHBondContact OD1-N 2.93Å; D221-Y226 HydrophobicContact CB-CD2 4.4Å; D221-Y226 PolarHBondContact N-O 3.46Å; D221-Y226 VanDerWaalsContact N-O 3.07Å; D221-Y226 PolarHBondContact OD1-N 2.78Å; D221-I262 HydrophobicContact CB-CD1 4.49Å; D221-N266 WeakPolarHBondContact CB-OD1 3.37Å; D221-N266 PolarHBondContact OD2-ND2 3.01Å | ||
| 222 | C | 82.2 | Confident | 88.2 | Confident | 26 Ų | 26 | 17.4 Ų | 17.4 | 18% | 0.176 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -14.2 | -176.2 | -60.7 | 0 | 0 | 0 | 0 | 113.9 | D263 N266 L695 | C222-D263 PolarHBondContact SG-O 2.67Å; C222-N266 HydrophobicContact CB-CB 4.08Å; C222-N266 PolarHBondContact N-OD1 2.97Å; C222-L695 HydrophobicContact CB-CD1 4.04Å |
| 223 | T | 76.7 | Confident | 88.2 | Confident | 36 Ų | 36 | 16.9 Ų | 16.9 | 22% | 0.221 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -12.5 | 169.5 | 77.3 | 0 | 0 | 0 | 0 | 113.6 | D221 K225 L695 | D221-T223 PolarHBondContact O-N 2.87Å; D221-T223 PolarHBondContact OD1-OG1 2.83Å; D221-T223 WeakPolarHBondContact OD2-CA 3.38Å; D221-T223 WeakPolarHBondContact OD2-CB 3.01Å; D221-T223 WeakPolarHBondContact OD2-CG2 3.35Å; D221-T223 PolarHBondContact OD2-N 3.35Å; D221-T223 PolarHBondContact OD2-OG1 3.37Å; T223-K225 PolarHBondContact O-N 3.42Å; T223-K225 WeakPolarHBondContact OG1-CB 3.34Å; T223-K225 WeakPolarHBondContact OG1-CD 3.39Å; T223-K225 VanDerWaalsContact OG1-CG 3.32Å; T223-K225 WeakPolarHBondContact OG1-CG 3.28Å; T223-K225 PolarHBondContact OG1-N 3.34Å; T223-L695 HydrophobicContact CG2-CD2 3.75Å; T223-L695 HydrophobicContact CG2-CG 4.45Å |
| 224 | G | 77.3 | Confident | 88.3 | Confident | 15 Ų | 15 | 14.7 Ų | 14.7 | 16% | 0.155 | 8% | 0.081 | C | C | . | . | S | Bend | trans | 69.3 | 12.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | D221 | D221-G224 PolarHBondContact O-N 2.75Å; D221-G224 PolarHBondContact OD1-N 3.06Å; D221-G224 VanDerWaalsContact OD1-N 3.08Å |
| 225 | K | 82.1 | Confident | 88.5 | Confident | 103 Ų | 103 | 14.3 Ų | 14.3 | 45% | 0.448 | 8% | 0.078 | S | C | . | . | S | Bend | trans | -95.8 | -13.6 | -176.9 | -61.6 | 169.7 | -164.5 | 158.5 | 0 | 112.6 | D221 T223 V241 | D221-K225 PolarHBondContact OD1-N 2.93Å; T223-K225 PolarHBondContact O-N 3.42Å; T223-K225 WeakPolarHBondContact OG1-CB 3.34Å; T223-K225 WeakPolarHBondContact OG1-CD 3.39Å; T223-K225 VanDerWaalsContact OG1-CG 3.32Å; T223-K225 WeakPolarHBondContact OG1-CG 3.28Å; T223-K225 PolarHBondContact OG1-N 3.34Å; K225-V241 VanDerWaalsContact O-CB 3.28Å; K225-V241 WeakPolarHBondContact O-CB 3.37Å; K225-V241 VanDerWaalsContact O-CG2 3.22Å; K225-V241 WeakPolarHBondContact O-CG2 3.36Å; K225-V241 PolarHBondContact O-N 3.2Å |
| 226 | Y | 89.3 | Confident | 88.7 | Confident | 22 Ų | 22 | 14.2 Ų | 14.2 | 9% | 0.086 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 129.9 | -175.1 | -48.4 | -90.6 | 0 | 0 | 0 | 111.9 | V220 D221 V238 W239 L247 V692 | V220-Y226 WeakPolarHBondContact CG1-O 3.5Å; D221-Y226 HydrophobicContact CB-CD2 4.4Å; D221-Y226 PolarHBondContact N-O 3.46Å; D221-Y226 VanDerWaalsContact N-O 3.07Å; D221-Y226 PolarHBondContact OD1-N 2.78Å; Y226-V238 HydrophobicContact CD1-CG1 4.36Å; Y226-W239 CarbonylContact C-O 3.57Å; Y226-W239 VanDerWaalsContact CA-O 3.24Å; Y226-W239 WeakPolarHBondContact CA-O 3.45Å; Y226-L247 HydrophobicContact CD1-CD1 3.58Å; Y226-L247 HydrophobicContact CE1-CD1 3.42Å; Y226-L247 VanDerWaalsContact CE1-CD1 3.42Å; Y226-V692 HydrophobicContact CD1-CG2 4.28Å; Y226-V692 HydrophobicContact CD2-CB 4.43Å; Y226-V692 HydrophobicContact CD2-CG1 3.77Å; Y226-V692 HydrophobicContact CD2-CG2 4.11Å; Y226-V692 HydrophobicContact CE2-CB 4.36Å; Y226-V692 HydrophobicContact CE2-CG1 3.79Å; Y226-V692 HydrophobicContact CE2-CG2 4.4Å; Y226-V692 HydrophobicContact CG-CG2 4.05Å |
| 227 | F | 91.2 | Very high | 89.2 | Confident | 1 Ų | 1 | 14 Ų | 14 | 0% | 0.004 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 143.8 | 164.2 | -75.3 | -65.4 | 0 | 0 | 0 | 109 | L218 V220 W239 V241 C559 | L218-F227 HydrophobicContact CD1-CB 4.18Å; L218-F227 HydrophobicContact CD1-CD1 4.06Å; L218-F227 HydrophobicContact CD1-CG 4.37Å; V220-F227 HydrophobicContact CB-CD1 4.28Å; V220-F227 HydrophobicContact CB-CE1 4.3Å; V220-F227 HydrophobicContact CG1-CD1 3.86Å; V220-F227 HydrophobicContact CG1-CE1 3.79Å; V220-F227 HydrophobicContact CG2-CD1 3.8Å; V220-F227 HydrophobicContact CG2-CE1 3.6Å; F227-W239 HydrophobicContact CB-CB 4.47Å; F227-W239 PolarHBondContact N-O 2.92Å; F227-W239 PolarHBondContact O-N 3.22Å; F227-V241 HydrophobicContact CD2-CG2 3.53Å; F227-V241 HydrophobicContact CE2-CG1 4.29Å; F227-V241 HydrophobicContact CE2-CG2 3.69Å; F227-V241 HydrophobicContact CG-CG2 4.24Å; F227-C559 HydrophobicContact CD1-CB 3.86Å; F227-C559 HydrophobicContact CD2-CB 3.67Å; F227-C559 HydrophobicContact CE1-CB 3.58Å; F227-C559 HydrophobicContact CE2-CB 3.41Å; F227-C559 VanDerWaalsContact CE2-CB 3.41Å; F227-C559 HydrophobicContact CG-CB 3.92Å; F227-C559 HydrophobicContact CZ-CB 3.37Å |
| 228 | I | 94.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 128.9 | 174 | -51.8 | -170.9 | 0 | 0 | 0 | 108.7 | L218 A219 V236 K237 V238 V260 I262 M269 L282 | L218-I228 CarbonylContact C-O 3.44Å; L218-I228 WeakPolarHBondContact CA-O 3.33Å; A219-I228 HydrophobicContact CB-CB 4.46Å; A219-I228 PolarHBondContact N-O 3.25Å; A219-I228 PolarHBondContact O-N 2.88Å; I228-V236 HydrophobicContact CG2-CG1 3.31Å; I228-K237 WeakPolarHBondContact CA-O 3.23Å; I228-V238 HydrophobicContact CD1-CG2 4.48Å; I228-V238 HydrophobicContact CG1-CG2 4.46Å; I228-V260 HydrophobicContact CG2-CG1 4.14Å; I228-I262 HydrophobicContact CD1-CD1 3.51Å; I228-I262 HydrophobicContact CD1-CG1 4.07Å; I228-I262 HydrophobicContact CG1-CD1 4.12Å; I228-M269 HydrophobicContact CD1-SD 3.92Å; I228-M269 HydrophobicContact CG2-SD 3.92Å; I228-L282 HydrophobicContact CD1-CD1 3.58Å |
| 229 | T | 94.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 136.6 | 177.4 | 54 | 0 | 0 | 0 | 0 | 111 | H211 V215 L218 V236 K237 W239 T561 M567 | H211-T229 PolarHBondContact NE2-OG1 3.19Å; V215-T229 HydrophobicContact CG1-CG2 4.02Å; L218-T229 HydrophobicContact CD1-CG2 3.66Å; T229-V236 CarbonylContact O-C 3.49Å; T229-V236 VanDerWaalsContact O-CA 3.27Å; T229-V236 WeakPolarHBondContact O-CA 3.49Å; T229-K237 PolarHBondContact N-O 2.97Å; T229-K237 PolarHBondContact O-N 2.85Å; T229-W239 PolarHBondContact OG1-NE1 3.3Å; T229-T561 HydrophobicContact CG2-CG2 3.88Å; T229-M567 HydrophobicContact CG2-SD 3.84Å |
| 230 | G | 93.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 135.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | P216 C217 L235 | P216-G230 VanDerWaalsContact CD-O 3.3Å; P216-G230 WeakPolarHBondContact CD-O 3.22Å; C217-G230 PolarHBondContact O-N 3.08Å; C217-G230 VanDerWaalsContact SG-CA 3.54Å; C217-G230 PolarHBondContact SG-O 3.38Å; G230-L235 WeakPolarHBondContact CA-O 3.42Å |
| 231 | G | 91.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.077 | C | C | . | . | trans | -104.9 | 158.1 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | D233 G234 L235 I257 | G231-D233 WeakPolarHBondContact CA-OD1 3.34Å; G231-D233 PolarHBondContact O-N 2.7Å; G231-G234 PolarHBondContact O-N 2.96Å; G231-L235 PolarHBondContact N-O 3.24Å; G231-I257 WeakPolarHBondContact O-CB 3.3Å; G231-I257 WeakPolarHBondContact O-CG1 3.42Å; G231-I257 PolarHBondContact O-N 3.16Å | ||
| 232 | D | 92.4 | Very high | 88.7 | Confident | 27 Ų | 27 | 17.9 Ų | 17.9 | 14% | 0.144 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -6.6 | 158.5 | -72.1 | -67.3 | 0 | 0 | 0 | 111.1 | S214 R256 K547 S826 | S214-D232 WeakPolarHBondContact CB-OD2 3.44Å; S214-D232 PolarHBondContact O-N 2.67Å; S214-D232 PolarHBondContact OG-OD2 3.25Å; D232-R256 HydrophobicContact CB-CB 4.4Å; D232-K547 IonicContact OD2-NZ 2.94Å; D232-S826 PolarHBondContact OD1-N 3.37Å; D232-S826 PolarHBondContact OD1-OG 2.78Å |
| 233 | D | 89.8 | Confident | 88.7 | Confident | 31 Ų | 31 | 19.1 Ų | 19.1 | 17% | 0.166 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 6.4 | 173.2 | 64.5 | 0.7 | 0 | 0 | 0 | 114.9 | H211 L212 G231 L235 | H211-D233 WeakPolarHBondContact CA-OD2 3.32Å; H211-D233 WeakPolarHBondContact CB-OD2 3.11Å; H211-D233 IonicContact CE1-OD1 3.2Å; H211-D233 IonicContact CG-OD1 2.76Å; H211-D233 IonicContact CG-OD2 3.84Å; H211-D233 IonicContact ND1-OD1 2.85Å; H211-D233 PolarHBondContact ND1-OD1 2.82Å; H211-D233 IonicContact ND1-OD2 2.65Å; H211-D233 PolarHBondContact ND1-OD2 2.93Å; L212-D233 PolarHBondContact N-OD2 2.85Å; G231-D233 WeakPolarHBondContact CA-OD1 3.34Å; G231-D233 PolarHBondContact O-N 2.7Å; D233-L235 VanDerWaalsContact C-N 3.33Å; D233-L235 PolarHBondContact O-N 2.97Å; D233-L235 PolarHBondContact OD1-N 2.79Å |
| 234 | G | 90.8 | Very high | 89.2 | Confident | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.01 | 9% | 0.086 | C | C | . | . | S | Bend | trans | 79.6 | 8.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | G231 I253 T255 | G231-G234 PolarHBondContact O-N 2.96Å; G234-I253 WeakPolarHBondContact CA-O 3.33Å; G234-I253 WeakPolarHBondContact O-CB 3.44Å; G234-T255 WeakPolarHBondContact CA-O 3.3Å |
| 235 | L | 94 | Very high | 89.7 | Confident | 6 Ų | 6 | 19.5 Ų | 19.5 | 3% | 0.031 | 9% | 0.09 | C | C | . | . | trans | -104.8 | 143.2 | -179.9 | -56 | -177.1 | 0 | 0 | 0 | 112 | H211 G230 G231 D233 T249 R251 I257 D588 F589 | H211-L235 PolarHBondContact CE1-O 2.8Å; G230-L235 WeakPolarHBondContact CA-O 3.42Å; G231-L235 PolarHBondContact N-O 3.24Å; D233-L235 VanDerWaalsContact C-N 3.33Å; D233-L235 PolarHBondContact O-N 2.97Å; D233-L235 PolarHBondContact OD1-N 2.79Å; L235-T249 HydrophobicContact CB-CG2 4Å; L235-T249 HydrophobicContact CD1-CG2 4.19Å; L235-T249 HydrophobicContact CD2-CG2 3.99Å; L235-T249 HydrophobicContact CG-CG2 4.28Å; L235-R251 HydrophobicContact CD2-CG 4.35Å; L235-I257 WeakPolarHBondContact O-CD1 3.44Å; L235-D588 HydrophobicContact CD1-CB 3.89Å; L235-D588 WeakPolarHBondContact CD2-O 3.19Å; L235-F589 HydrophobicContact CD1-CD1 4.46Å; L235-F589 HydrophobicContact CD1-CE1 3.67Å; L235-F589 HydrophobicContact CD1-CE2 4.35Å; L235-F589 HydrophobicContact CD1-CZ 3.59Å; L235-F589 HydrophobicContact CG-CE1 4.25Å | ||
| 236 | V | 95.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 129.8 | 160.5 | -173 | 0 | 0 | 0 | 0 | 109.3 | I228 T229 T249 F250 I257 V260 M269 V271 | I228-V236 HydrophobicContact CG2-CG1 3.31Å; T229-V236 CarbonylContact O-C 3.49Å; T229-V236 VanDerWaalsContact O-CA 3.27Å; T229-V236 WeakPolarHBondContact O-CA 3.49Å; V236-T249 CarbonylContact O-C 3.57Å; V236-T249 WeakPolarHBondContact O-CA 3.01Å; V236-F250 HydrophobicContact CB-CB 4.13Å; V236-F250 HydrophobicContact CB-CD2 4.11Å; V236-F250 HydrophobicContact CG1-CD2 4.25Å; V236-F250 PolarHBondContact N-O 3Å; V236-F250 PolarHBondContact O-N 3.22Å; V236-I257 HydrophobicContact CB-CD1 4.48Å; V236-I257 HydrophobicContact CG2-CD1 3.29Å; V236-V260 HydrophobicContact CG1-CG2 4.43Å; V236-V260 HydrophobicContact CG2-CG2 4.24Å; V236-M269 HydrophobicContact CG1-CE 4.13Å; V236-M269 HydrophobicContact CG1-SD 3.92Å; V236-V271 HydrophobicContact CG2-CG1 3.8Å; V236-V271 HydrophobicContact CG2-CG2 3.95Å |
| 237 | K | 95.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 134.3 | -175.1 | -73.6 | 175.6 | 174.2 | -75.4 | 0 | 111.8 | G210 I228 T229 W239 L246 T249 D588 | G210-K237 WeakPolarHBondContact O-CD 3.38Å; G210-K237 WeakPolarHBondContact O-CE 3.41Å; I228-K237 WeakPolarHBondContact CA-O 3.23Å; T229-K237 PolarHBondContact N-O 2.97Å; T229-K237 PolarHBondContact O-N 2.85Å; K237-W239 HydrophobicContact CB-CZ2 3.98Å; K237-W239 HydrophobicContact CD-CZ2 3.84Å; K237-W239 VanDerWaalsContact O-CD1 3.31Å; K237-L246 HydrophobicContact CB-CD1 3.73Å; K237-L246 HydrophobicContact CD-CD1 4.1Å; K237-L246 HydrophobicContact CG-CD1 3.86Å; K237-T249 HydrophobicContact CG-CG2 3.92Å; K237-T249 PolarHBondContact NZ-OG1 3.07Å; K237-D588 IonicContact NZ-OD1 3.18Å; K237-D588 PolarHBondContact NZ-OD1 3.29Å; K237-D588 IonicContact NZ-OD2 3.27Å; K237-D588 PolarHBondContact NZ-OD2 2.79Å |
| 238 | V | 94.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 123.8 | 179.5 | -175.3 | 0 | 0 | 0 | 0 | 109.9 | Y226 I228 L247 F248 F250 I691 V692 | Y226-V238 HydrophobicContact CD1-CG1 4.36Å; I228-V238 HydrophobicContact CD1-CG2 4.48Å; I228-V238 HydrophobicContact CG1-CG2 4.46Å; V238-L247 HydrophobicContact CG1-CD1 4.44Å; V238-L247 PolarHBondContact O-N 3.27Å; V238-F248 PolarHBondContact N-O 3.11Å; V238-F250 HydrophobicContact CG2-CD2 4.47Å; V238-F250 HydrophobicContact CG2-CE2 3.8Å; V238-I691 HydrophobicContact CG1-CG2 4.39Å; V238-V692 HydrophobicContact CG1-CG2 3.86Å |
| 239 | W | 92.7 | Very high | 90.2 | Very high | 4 Ų | 4 | 15.4 Ų | 15.4 | 2% | 0.015 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 127.2 | -170.3 | -57.3 | 94.9 | 0 | 0 | 0 | 112.4 | I208 Y226 F227 T229 K237 V241 R245 L246 M567 Q583 | I208-W239 HydrophobicContact CD1-CE3 4.04Å; I208-W239 HydrophobicContact CD1-CZ3 4.13Å; I208-W239 HydrophobicContact CG2-CH2 4.04Å; I208-W239 HydrophobicContact CG2-CZ3 3.82Å; Y226-W239 CarbonylContact C-O 3.57Å; Y226-W239 VanDerWaalsContact CA-O 3.24Å; Y226-W239 WeakPolarHBondContact CA-O 3.45Å; F227-W239 HydrophobicContact CB-CB 4.47Å; F227-W239 PolarHBondContact N-O 2.92Å; F227-W239 PolarHBondContact O-N 3.22Å; T229-W239 PolarHBondContact OG1-NE1 3.3Å; K237-W239 HydrophobicContact CB-CZ2 3.98Å; K237-W239 HydrophobicContact CD-CZ2 3.84Å; K237-W239 VanDerWaalsContact O-CD1 3.31Å; W239-V241 PolarHBondContact O-N 3.22Å; W239-R245 WeakPolarHBondContact CA-O 3.27Å; W239-L246 HydrophobicContact CD2-CD1 4.36Å; W239-L246 HydrophobicContact CE3-CB 4Å; W239-L246 HydrophobicContact CE3-CD1 4.34Å; W239-L246 HydrophobicContact CH2-CB 4.18Å; W239-L246 HydrophobicContact CH2-CD1 4.11Å; W239-L246 HydrophobicContact CZ2-CD1 4.15Å; W239-L246 HydrophobicContact CZ3-CB 3.65Å; W239-L246 HydrophobicContact CZ3-CD1 4.21Å; W239-L246 HydrophobicContact CZ3-CG 4.45Å; W239-M567 HydrophobicContact CB-CE 4.02Å; W239-M567 HydrophobicContact CD2-CE 3.56Å; W239-M567 HydrophobicContact CD2-SD 4.47Å; W239-M567 HydrophobicContact CE3-CE 3.94Å; W239-M567 HydrophobicContact CG-CE 3.61Å; W239-M567 HydrophobicContact CG-SD 4.17Å; W239-Q583 HydrophobicContact CH2-CB 4.05Å; W239-Q583 HydrophobicContact CZ3-CB 3.83Å |
| 240 | N | 88.2 | Confident | 90.1 | Very high | 25 Ų | 25 | 15.6 Ų | 15.6 | 13% | 0.134 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 123.2 | 174.5 | -175.9 | -93.5 | 0 | 0 | 0 | 112.5 | E242 H243 A244 R245 L247 | N240-E242 PolarHBondContact O-N 3.08Å; N240-E242 PolarHBondContact OD1-N 3.22Å; N240-H243 WeakPolarHBondContact OD1-CB 3.16Å; N240-H243 PolarHBondContact OD1-CD2 2.98Å; N240-H243 PolarHBondContact OD1-N 3.22Å; N240-A244 WeakPolarHBondContact O-CA 3.49Å; N240-A244 PolarHBondContact O-N 3.31Å; N240-R245 PolarHBondContact N-O 3.02Å; N240-L247 HydrophobicContact CB-CD1 4.18Å; N240-L247 HydrophobicContact CB-CD2 4.4Å; N240-L247 HydrophobicContact CB-CG 4.41Å |
| 241 | V | 79.3 | Confident | 89.9 | Confident | 6 Ų | 6 | 16.3 Ų | 16.3 | 4% | 0.036 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -33.1 | -177.5 | 174.9 | 0 | 0 | 0 | 0 | 113 | K225 F227 W239 R557 | K225-V241 VanDerWaalsContact O-CB 3.28Å; K225-V241 WeakPolarHBondContact O-CB 3.37Å; K225-V241 VanDerWaalsContact O-CG2 3.22Å; K225-V241 WeakPolarHBondContact O-CG2 3.36Å; K225-V241 PolarHBondContact O-N 3.2Å; F227-V241 HydrophobicContact CD2-CG2 3.53Å; F227-V241 HydrophobicContact CE2-CG1 4.29Å; F227-V241 HydrophobicContact CE2-CG2 3.69Å; F227-V241 HydrophobicContact CG-CG2 4.24Å; W239-V241 PolarHBondContact O-N 3.22Å; V241-R557 PolarHBondContact O-NH1 3.38Å |
| 242 | E | 78 | Confident | 89.3 | Confident | 72 Ų | 72 | 17.5 Ų | 17.5 | 34% | 0.336 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -35.1 | -175.3 | -177.4 | 162.9 | -157.4 | 0 | 0 | 113.5 | N240 K576 | N240-E242 PolarHBondContact O-N 3.08Å; N240-E242 PolarHBondContact OD1-N 3.22Å; E242-K576 HydrophobicContact CG-CD 4.47Å; E242-K576 VanDerWaalsContact OE1-CD 3.26Å; E242-K576 WeakPolarHBondContact OE1-CD 3.43Å; E242-K576 WeakPolarHBondContact OE1-CE 3.47Å; E242-K576 IonicContact OE1-NZ 3.2Å; E242-K576 PolarHBondContact OE1-NZ 3.28Å |
| 243 | H | 81.3 | Confident | 89.1 | Confident | 53 Ų | 53 | 16.6 Ų | 16.6 | 25% | 0.245 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | -8.4 | -172.6 | -64.9 | -73.7 | 0 | 0 | 0 | 114.4 | N240 R245 P578 | N240-H243 WeakPolarHBondContact OD1-CB 3.16Å; N240-H243 PolarHBondContact OD1-CD2 2.98Å; N240-H243 PolarHBondContact OD1-N 3.22Å; H243-R245 HydrophobicContact CB-CG 3.96Å; H243-P578 WeakPolarHBondContact O-CA 3.37Å |
| 244 | A | 87.3 | Confident | 88.7 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 58.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K206 I208 N240 I569 L575 G579 Q583 | K206-A244 HydrophobicContact CB-CB 4.33Å; K206-A244 HydrophobicContact CG-CB 3.93Å; I208-A244 HydrophobicContact CD1-CB 3.86Å; N240-A244 WeakPolarHBondContact O-CA 3.49Å; N240-A244 PolarHBondContact O-N 3.31Å; A244-I569 HydrophobicContact CB-CD1 4.03Å; A244-L575 HydrophobicContact CB-CD1 3.47Å; A244-L575 VanDerWaalsContact CB-CD1 3.47Å; A244-G579 PolarHBondContact O-N 3.14Å; A244-Q583 PolarHBondContact O-NE2 3.09Å; A244-Q583 PolarHBondContact O-OE1 3.47Å |
| 245 | R | 88.4 | Confident | 88.5 | Confident | 59 Ų | 59 | 25.8 Ų | 25.8 | 22% | 0.223 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 136 | 178.4 | -61.2 | -179 | -171 | -172.9 | 0.8 | 110.2 | W239 N240 H243 Q583 L632 | W239-R245 WeakPolarHBondContact CA-O 3.27Å; N240-R245 PolarHBondContact N-O 3.02Å; H243-R245 HydrophobicContact CB-CG 3.96Å; R245-Q583 VanDerWaalsContact CA-OE1 3.28Å; R245-L632 VanDerWaalsContact CZ-CD2 3.47Å |
| 246 | L | 93.3 | Very high | 88.2 | Confident | 3 Ų | 3 | 27.2 Ų | 27.2 | 2% | 0.016 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 133.9 | 161.5 | -177.6 | 62.2 | 0 | 0 | 0 | 109.4 | K237 W239 Q583 F585 | K237-L246 HydrophobicContact CB-CD1 3.73Å; K237-L246 HydrophobicContact CD-CD1 4.1Å; K237-L246 HydrophobicContact CG-CD1 3.86Å; W239-L246 HydrophobicContact CD2-CD1 4.36Å; W239-L246 HydrophobicContact CE3-CB 4Å; W239-L246 HydrophobicContact CE3-CD1 4.34Å; W239-L246 HydrophobicContact CH2-CB 4.18Å; W239-L246 HydrophobicContact CH2-CD1 4.11Å; W239-L246 HydrophobicContact CZ2-CD1 4.15Å; W239-L246 HydrophobicContact CZ3-CB 3.65Å; W239-L246 HydrophobicContact CZ3-CD1 4.21Å; W239-L246 HydrophobicContact CZ3-CG 4.45Å; L246-Q583 HydrophobicContact CB-CB 4.35Å; L246-F585 HydrophobicContact CB-CZ 4.33Å; L246-F585 HydrophobicContact CD2-CD1 4.03Å; L246-F585 HydrophobicContact CD2-CD2 3.72Å; L246-F585 HydrophobicContact CD2-CE1 3.91Å; L246-F585 HydrophobicContact CD2-CE2 3.61Å; L246-F585 HydrophobicContact CD2-CG 3.93Å; L246-F585 HydrophobicContact CD2-CZ 3.71Å; L246-F585 HydrophobicContact CG-CD2 4.31Å; L246-F585 HydrophobicContact CG-CE1 4.23Å; L246-F585 HydrophobicContact CG-CE2 3.69Å; L246-F585 HydrophobicContact CG-CZ 3.65Å |
| 247 | L | 90 | Very high | 88.1 | Confident | 26 Ų | 26 | 27.2 Ų | 27.2 | 14% | 0.136 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | -47.4 | 178.9 | -58.1 | 179.7 | 0 | 0 | 0 | 112.4 | Y226 V238 N240 P634 I691 | Y226-L247 HydrophobicContact CD1-CD1 3.58Å; Y226-L247 HydrophobicContact CE1-CD1 3.42Å; Y226-L247 VanDerWaalsContact CE1-CD1 3.42Å; V238-L247 HydrophobicContact CG1-CD1 4.44Å; V238-L247 PolarHBondContact O-N 3.27Å; N240-L247 HydrophobicContact CB-CD1 4.18Å; N240-L247 HydrophobicContact CB-CD2 4.4Å; N240-L247 HydrophobicContact CB-CG 4.41Å; L247-P634 HydrophobicContact CB-CG 4.19Å; L247-P634 HydrophobicContact CD2-CG 3.73Å; L247-I691 HydrophobicContact CB-CG2 4.44Å |
| 248 | F | 91.1 | Very high | 87.8 | Confident | 4 Ų | 4 | 27.5 Ų | 27.5 | 2% | 0.018 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 147.8 | -176.6 | -166.7 | -96.1 | 0 | 0 | 0 | 110 | V238 F250 H610 W686 I691 | V238-F248 PolarHBondContact N-O 3.11Å; F248-F250 HydrophobicContact CD1-CD1 4.26Å; F248-F250 AromaticContact CD1-CD2 3.95Å; F248-F250 HydrophobicContact CD1-CD2 3.95Å; F248-F250 HydrophobicContact CD1-CE1 4.21Å; F248-F250 AromaticContact CD1-CE2 3.9Å; F248-F250 HydrophobicContact CD1-CE2 3.9Å; F248-F250 HydrophobicContact CD1-CG 4.15Å; F248-F250 HydrophobicContact CD1-CZ 4.03Å; F248-F250 AromaticContact CE1-CD1 3.73Å; F248-F250 HydrophobicContact CE1-CD1 3.73Å; F248-F250 HydrophobicContact CE1-CD2 4.25Å; F248-F250 AromaticContact CE1-CE1 3.79Å; F248-F250 HydrophobicContact CE1-CE1 3.79Å; F248-F250 HydrophobicContact CE1-CE2 4.3Å; F248-F250 AromaticContact CE1-CG 3.99Å; F248-F250 HydrophobicContact CE1-CG 3.99Å; F248-F250 HydrophobicContact CE1-CZ 4.08Å; F248-H610 HydrophobicContact CZ-CB 4.39Å; F248-W686 HydrophobicContact CD2-CD2 4.4Å; F248-W686 HydrophobicContact CD2-CE3 4.04Å; F248-W686 AromaticContact CD2-CH2 3.77Å; F248-W686 HydrophobicContact CD2-CH2 3.77Å; F248-W686 HydrophobicContact CD2-CZ2 4.17Å; F248-W686 AromaticContact CD2-CZ3 3.72Å; F248-W686 HydrophobicContact CD2-CZ3 3.72Å; F248-W686 HydrophobicContact CE2-CD2 4.3Å; F248-W686 AromaticContact CE2-CE3 3.58Å; F248-W686 HydrophobicContact CE2-CE3 3.58Å; F248-W686 AromaticContact CE2-CH2 3.92Å; F248-W686 HydrophobicContact CE2-CH2 3.92Å; F248-W686 AromaticContact CE2-CZ3 3.37Å; F248-W686 HydrophobicContact CE2-CZ3 3.37Å; F248-W686 HydrophobicContact CZ-CZ3 4.32Å; F248-I691 HydrophobicContact CB-CD1 4.15Å; F248-I691 HydrophobicContact CB-CG1 4.35Å; F248-I691 HydrophobicContact CB-CG2 3.62Å; F248-I691 HydrophobicContact CD1-CD1 4.08Å; F248-I691 HydrophobicContact CD2-CD1 3.45Å; F248-I691 VanDerWaalsContact CD2-CD1 3.45Å; F248-I691 HydrophobicContact CD2-CG1 4.05Å; F248-I691 HydrophobicContact CE1-CD1 4.31Å; F248-I691 HydrophobicContact CE2-CD1 3.7Å; F248-I691 HydrophobicContact CG-CD1 3.65Å; F248-I691 HydrophobicContact CG-CG1 4.31Å; F248-I691 HydrophobicContact CG-CG2 4.33Å; F248-I691 HydrophobicContact CZ-CD1 4.13Å |
| 249 | T | 92.9 | Very high | 87.6 | Confident | 6 Ų | 6 | 27.7 Ų | 27.7 | 4% | 0.037 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 122.5 | 168.9 | -53.2 | 0 | 0 | 0 | 0 | 108.8 | L235 V236 K237 R251 F585 D588 | L235-T249 HydrophobicContact CB-CG2 4Å; L235-T249 HydrophobicContact CD1-CG2 4.19Å; L235-T249 HydrophobicContact CD2-CG2 3.99Å; L235-T249 HydrophobicContact CG-CG2 4.28Å; V236-T249 CarbonylContact O-C 3.57Å; V236-T249 WeakPolarHBondContact O-CA 3.01Å; K237-T249 HydrophobicContact CG-CG2 3.92Å; K237-T249 PolarHBondContact NZ-OG1 3.07Å; T249-R251 HydrophobicContact CG2-CG 3.93Å; T249-F585 WeakPolarHBondContact OG1-CD2 3.38Å; T249-D588 WeakPolarHBondContact CB-OD1 3.25Å; T249-D588 VanDerWaalsContact CG2-OD1 3.3Å; T249-D588 WeakPolarHBondContact CG2-OD1 3.22Å; T249-D588 PolarHBondContact OG1-OD1 2.58Å |
| 250 | F | 92.8 | Very high | 87.5 | Confident | 4 Ų | 4 | 27.6 Ų | 27.6 | 2% | 0.018 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 126.3 | 164.4 | -60.3 | -92.6 | 0 | 0 | 0 | 109 | V236 V238 F248 M269 Y280 | V236-F250 HydrophobicContact CB-CB 4.13Å; V236-F250 HydrophobicContact CB-CD2 4.11Å; V236-F250 HydrophobicContact CG1-CD2 4.25Å; V236-F250 PolarHBondContact N-O 3Å; V236-F250 PolarHBondContact O-N 3.22Å; V238-F250 HydrophobicContact CG2-CD2 4.47Å; V238-F250 HydrophobicContact CG2-CE2 3.8Å; F248-F250 HydrophobicContact CD1-CD1 4.26Å; F248-F250 AromaticContact CD1-CD2 3.95Å; F248-F250 HydrophobicContact CD1-CD2 3.95Å; F248-F250 HydrophobicContact CD1-CE1 4.21Å; F248-F250 AromaticContact CD1-CE2 3.9Å; F248-F250 HydrophobicContact CD1-CE2 3.9Å; F248-F250 HydrophobicContact CD1-CG 4.15Å; F248-F250 HydrophobicContact CD1-CZ 4.03Å; F248-F250 AromaticContact CE1-CD1 3.73Å; F248-F250 HydrophobicContact CE1-CD1 3.73Å; F248-F250 HydrophobicContact CE1-CD2 4.25Å; F248-F250 AromaticContact CE1-CE1 3.79Å; F248-F250 HydrophobicContact CE1-CE1 3.79Å; F248-F250 HydrophobicContact CE1-CE2 4.3Å; F248-F250 AromaticContact CE1-CG 3.99Å; F248-F250 HydrophobicContact CE1-CG 3.99Å; F248-F250 HydrophobicContact CE1-CZ 4.08Å; F250-M269 HydrophobicContact CD1-CE 4.17Å; F250-M269 HydrophobicContact CD2-CE 3.57Å; F250-M269 HydrophobicContact CE1-CE 4.02Å; F250-M269 HydrophobicContact CE2-CE 3.4Å; F250-M269 VanDerWaalsContact CE2-CE 3.4Å; F250-M269 HydrophobicContact CE2-SD 4.21Å; F250-M269 HydrophobicContact CG-CE 3.95Å; F250-M269 HydrophobicContact CZ-CE 3.65Å; F250-Y280 AromaticContact CD1-CD1 3.38Å; F250-Y280 HydrophobicContact CD1-CD1 3.38Å; F250-Y280 HydrophobicContact CD1-CD2 4.35Å; F250-Y280 AromaticContact CD1-CE1 3.79Å; F250-Y280 HydrophobicContact CD1-CE1 3.79Å; F250-Y280 AromaticContact CD1-CG 3.69Å; F250-Y280 HydrophobicContact CD1-CG 3.69Å; F250-Y280 AromaticContact CE1-CD1 3.71Å; F250-Y280 HydrophobicContact CE1-CD1 3.71Å; F250-Y280 AromaticContact CE1-CG 3.76Å; F250-Y280 HydrophobicContact CE1-CG 3.76Å; F250-Y280 HydrophobicContact CG-CD1 4.43Å |
| 251 | R | 89.7 | Confident | 87.6 | Confident | 15 Ų | 15 | 26.5 Ų | 26.5 | 6% | 0.057 | 13% | 0.125 | C | C | . | . | trans | -118.1 | 169.7 | -171.8 | -62.1 | -175.6 | -69.9 | 134.2 | -6.9 | 111.7 | L235 T249 T587 D588 V590 D602 | L235-R251 HydrophobicContact CD2-CG 4.35Å; T249-R251 HydrophobicContact CG2-CG 3.93Å; R251-T587 WeakPolarHBondContact CD-O 3.36Å; R251-T587 PolarHBondContact NH1-O 3.24Å; R251-D588 WeakPolarHBondContact CD-O 3.24Å; R251-V590 PolarHBondContact NH1-O 3.14Å; R251-D602 IonicContact CZ-OD2 3.72Å; R251-D602 IonicContact NH1-OD2 3.92Å; R251-D602 PolarHBondContact NH1-OD2 3.49Å; R251-D602 IonicContact NH2-OD2 3.81Å; R251-D602 PolarHBondContact NH2-OD2 3.2Å | ||
| 252 | G | 79.6 | Confident | 88.2 | Confident | 26 Ų | 26 | 26.5 Ų | 26.5 | 27% | 0.268 | 13% | 0.125 | S | C | . | . | trans | 90.9 | -4.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116 | R254 | G252-R254 PolarHBondContact O-N 3.39Š| ||
| 253 | I | 86.8 | Confident | 88.8 | Confident | 7 Ų | 7 | 23.3 Ų | 23.3 | 4% | 0.036 | 11% | 0.11 | C | C | . | . | trans | -76 | 109.2 | 165.9 | -50.2 | 178.1 | 0 | 0 | 0 | 106.6 | G234 T255 I257 V271 | G234-I253 WeakPolarHBondContact CA-O 3.33Å; G234-I253 WeakPolarHBondContact O-CB 3.44Å; I253-T255 WeakPolarHBondContact CG2-O 3.39Å; I253-T255 PolarHBondContact O-N 3.45Å; I253-I257 HydrophobicContact CD1-CD1 4.05Å; I253-V271 HydrophobicContact CD1-CB 4.31Å; I253-V271 HydrophobicContact CD1-CG1 3.56Å | ||
| 254 | R | 81.7 | Confident | 88.9 | Confident | 171 Ų | 171 | 21.2 Ų | 21.2 | 65% | 0.645 | 10% | 0.1 | S | C | * | . | trans | -87.4 | 11.5 | -173.1 | -59.2 | -172.6 | -176 | -176.9 | 0.2 | 113.9 | G252 L592 | G252-R254 PolarHBondContact O-N 3.39Å; R254-L592 PolarHBondContact NH2-O 2.81Å | ||
| 255 | T | 86.2 | Confident | 88.8 | Confident | 54 Ų | 54 | 21.4 Ų | 21.4 | 33% | 0.331 | 10% | 0.101 | S | C | . | . | S | Bend | trans | -143.2 | 161.7 | -176.3 | 54.7 | 0 | 0 | 0 | 0 | 109.9 | G234 I253 D274 | G234-T255 WeakPolarHBondContact CA-O 3.3Å; I253-T255 WeakPolarHBondContact CG2-O 3.39Å; I253-T255 PolarHBondContact O-N 3.45Å; T255-D274 WeakPolarHBondContact CB-OD2 3.39Å; T255-D274 WeakPolarHBondContact CG2-OD2 3.49Å; T255-D274 PolarHBondContact OG1-OD2 2.89Å |
| 256 | R | 89.2 | Confident | 88.7 | Confident | 36 Ų | 36 | 18.6 Ų | 18.6 | 14% | 0.136 | 9% | 0.091 | C | C | . | . | trans | -49.9 | 144.8 | -179.5 | 69.6 | -172.6 | 179.9 | 150.9 | -0.7 | 112.6 | D232 I824 S825 S826 | D232-R256 HydrophobicContact CB-CB 4.4Å; R256-I824 VanDerWaalsContact CD-CG2 3.45Å; R256-I824 WeakPolarHBondContact CD-O 3.3Å; R256-I824 HydrophobicContact CG-CG2 4.4Å; R256-I824 VanDerWaalsContact NE-CG2 3.26Å; R256-S825 PolarHBondContact NH1-O 2.95Å; R256-S826 WeakPolarHBondContact CB-OG 3.45Å; R256-S826 WeakPolarHBondContact CD-OG 3.48Å; R256-S826 VanDerWaalsContact CG-OG 3.23Å; R256-S826 WeakPolarHBondContact CG-OG 3.29Å | ||
| 257 | I | 91.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | trans | -91.5 | 121.5 | 174.9 | -56.8 | -172.4 | 0 | 0 | 0 | 108.7 | P216 G231 L235 V236 I253 V260 V271 S826 | P216-I257 WeakPolarHBondContact CG-O 3.43Å; G231-I257 WeakPolarHBondContact O-CB 3.3Å; G231-I257 WeakPolarHBondContact O-CG1 3.42Å; G231-I257 PolarHBondContact O-N 3.16Å; L235-I257 WeakPolarHBondContact O-CD1 3.44Å; V236-I257 HydrophobicContact CB-CD1 4.48Å; V236-I257 HydrophobicContact CG2-CD1 3.29Å; I253-I257 HydrophobicContact CD1-CD1 4.05Å; I257-V260 HydrophobicContact CG2-CG2 3.95Å; I257-V271 HydrophobicContact CD1-CG1 4.03Å; I257-V271 HydrophobicContact CG1-CG1 4.43Å; I257-V271 HydrophobicContact CG2-CG1 3.72Å; I257-S826 VanDerWaalsContact C-OG 3.22Å; I257-S826 PolarHBondContact O-OG 3.41Å | ||
| 258 | N | 89.2 | Confident | 88.7 | Confident | 7 Ų | 7 | 20.5 Ų | 20.5 | 4% | 0.037 | 10% | 0.1 | C | C | . | . | trans | -72.4 | -52.4 | 171.9 | -59.8 | -79.2 | 0 | 0 | 0 | 109.7 | S272 D274 L298 S826 G828 | N258-S272 PolarHBondContact N-O 3.06Å; N258-S272 PolarHBondContact ND2-O 3.48Å; N258-D274 PolarHBondContact ND2-N 2.91Å; N258-L298 VanDerWaalsContact CG-O 3.23Å; N258-L298 PolarHBondContact ND2-O 3.43Å; N258-L298 PolarHBondContact OD1-O 3.42Å; N258-S826 WeakPolarHBondContact OD1-CB 3.48Å; N258-G828 WeakPolarHBondContact O-CA 3.24Å; N258-G828 PolarHBondContact O-N 3.48Å | ||
| 259 | D | 89.2 | Confident | 88.9 | Confident | 4 Ų | 4 | 20.3 Ų | 20.3 | 2% | 0.021 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 153.8 | -163.6 | -131.2 | -4.7 | 0 | 0 | 0 | 113.7 | S272 G300 V301 G828 S829 S830 | D259-S272 WeakPolarHBondContact CA-OG 3.3Å; D259-S272 WeakPolarHBondContact CB-OG 3.33Å; D259-S272 PolarHBondContact N-OG 3.25Å; D259-S272 VanDerWaalsContact N-OG 3.09Å; D259-S272 PolarHBondContact O-N 2.78Å; D259-S272 PolarHBondContact O-OG 2.95Å; D259-G300 WeakPolarHBondContact OD2-CA 3.49Å; D259-V301 HydrophobicContact CB-CG1 4.31Å; D259-G828 VanDerWaalsContact CG-C 3.42Å; D259-G828 VanDerWaalsContact CG-CA 3.47Å; D259-G828 VanDerWaalsContact OD1-C 3.23Å; D259-G828 VanDerWaalsContact OD2-C 3.3Å; D259-G828 VanDerWaalsContact OD2-CA 3.3Å; D259-G828 WeakPolarHBondContact OD2-CA 3.22Å; D259-S829 WeakPolarHBondContact OD1-CA 3.46Å; D259-S829 PolarHBondContact OD1-N 3.23Å; D259-S829 PolarHBondContact OD2-N 2.84Å; D259-S830 WeakPolarHBondContact CB-OG 3.47Å; D259-S830 VanDerWaalsContact CG-CB 3.48Å; D259-S830 WeakPolarHBondContact OD1-CB 3.46Å; D259-S830 PolarHBondContact OD1-N 2.84Å; D259-S830 PolarHBondContact OD1-OG 2.93Å; D259-S830 PolarHBondContact OD2-N 3.23Å; D259-S830 PolarHBondContact OD2-OG 3.11Å |
| 260 | V | 92 | Very high | 88.9 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.006 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 116.8 | -178.8 | 179.8 | 0 | 0 | 0 | 0 | 110.2 | I228 V236 I257 M269 A270 V271 S830 | I228-V260 HydrophobicContact CG2-CG1 4.14Å; V236-V260 HydrophobicContact CG1-CG2 4.43Å; V236-V260 HydrophobicContact CG2-CG2 4.24Å; I257-V260 HydrophobicContact CG2-CG2 3.95Å; V260-M269 HydrophobicContact CG1-CG 3.77Å; V260-M269 HydrophobicContact CG1-SD 3.83Å; V260-A270 CarbonylContact C-O 3.54Å; V260-A270 WeakPolarHBondContact CA-O 3.4Å; V260-V271 HydrophobicContact CG2-CG1 4.25Å; V260-V271 HydrophobicContact CG2-CG2 4.37Å; V260-S830 VanDerWaalsContact C-CB 3.43Å; V260-S830 WeakPolarHBondContact O-CB 3.24Å |
| 261 | A | 90.8 | Very high | 89 | Confident | 3 Ų | 3 | 19.8 Ų | 19.8 | 3% | 0.025 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 154.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | M269 A270 V301 F303 | A261-M269 CarbonylContact O-C 3.49Å; A261-M269 WeakPolarHBondContact O-CA 3.3Å; A261-A270 PolarHBondContact N-O 2.66Å; A261-A270 PolarHBondContact O-N 3.31Å; A261-V301 HydrophobicContact CB-CG1 4.06Å; A261-F303 HydrophobicContact CB-CD2 3.91Å; A261-F303 HydrophobicContact CB-CE2 4.17Å |
| 262 | I | 90.7 | Very high | 89.1 | Confident | 5 Ų | 5 | 19.1 Ų | 19.1 | 3% | 0.026 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 139.8 | 177.1 | -54.9 | 169.1 | 0 | 0 | 0 | 107.6 | A219 D221 I228 L268 L282 F303 | A219-I262 HydrophobicContact CB-CD1 3.95Å; A219-I262 HydrophobicContact CB-CG1 4.36Å; D221-I262 HydrophobicContact CB-CD1 4.49Å; I228-I262 HydrophobicContact CD1-CD1 3.51Å; I228-I262 HydrophobicContact CD1-CG1 4.07Å; I228-I262 HydrophobicContact CG1-CD1 4.12Å; I262-L268 WeakPolarHBondContact CA-O 3.17Å; I262-L282 HydrophobicContact CG2-CD2 4.1Å; I262-F303 WeakPolarHBondContact O-CD2 3.22Å |
| 263 | D | 90.3 | Very high | 89.7 | Confident | 6 Ų | 6 | 18 Ų | 18 | 3% | 0.032 | 8% | 0.082 | C | C | . | . | trans | -74.4 | 152.9 | 178.1 | -172.1 | 39.2 | 0 | 0 | 0 | 112.9 | C222 D265 N266 L268 F303 Y306 | C222-D263 PolarHBondContact SG-O 2.67Å; D263-D265 PolarHBondContact O-N 3.31Å; D263-N266 WeakPolarHBondContact O-CA 3.45Å; D263-N266 PolarHBondContact O-N 3.27Å; D263-L268 HydrophobicContact CB-CB 3.99Å; D263-L268 PolarHBondContact N-O 2.67Å; D263-F303 HydrophobicContact CB-CD1 3.84Å; D263-F303 HydrophobicContact CB-CD2 4.12Å; D263-F303 HydrophobicContact CB-CE1 3.91Å; D263-F303 HydrophobicContact CB-CE2 4.19Å; D263-F303 HydrophobicContact CB-CG 3.95Å; D263-F303 HydrophobicContact CB-CZ 4.09Å; D263-Y306 WeakPolarHBondContact OD1-CE1 3.09Å; D263-Y306 PolarHBondContact OD2-OH 3.5Å | ||
| 264 | Q | 84.5 | Confident | 89.6 | Confident | 9 Ų | 9 | 19.2 Ų | 19.2 | 4% | 0.042 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -27.5 | -177.8 | 54.4 | 164 | 56.9 | 0 | 0 | 114.6 | N266 Y306 L695 L834 | Q264-N266 VanDerWaalsContact C-N 3.28Å; Q264-Y306 HydrophobicContact CG-CD1 3.93Å; Q264-Y306 HydrophobicContact CG-CE1 3.47Å; Q264-Y306 VanDerWaalsContact CG-CE1 3.47Å; Q264-Y306 PolarHBondContact NE2-O 2.59Å; Q264-Y306 PolarHBondContact OE1-O 2.82Å; Q264-L695 WeakPolarHBondContact O-CD1 3.28Å; Q264-L834 HydrophobicContact CB-CD1 4.08Å |
| 265 | D | 84.1 | Confident | 90 | Very high | 3 Ų | 3 | 14.9 Ų | 14.9 | 2% | 0.016 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -1.1 | 178 | -70.2 | 12.2 | 0 | 0 | 0 | 112.1 | D263 I267 Y306 R312 I700 R704 | D263-D265 PolarHBondContact O-N 3.31Å; D265-I267 VanDerWaalsContact C-N 3.3Å; D265-I267 HydrophobicContact CB-CD1 4.04Å; D265-I267 HydrophobicContact CB-CG1 4.22Å; D265-I267 PolarHBondContact O-N 3.42Å; D265-Y306 VanDerWaalsContact CG-OH 3.25Å; D265-Y306 PolarHBondContact OD2-OH 2.82Å; D265-Y306 VanDerWaalsContact OD2-OH 3.1Å; D265-R312 IonicContact OD2-NH1 3.88Å; D265-I700 HydrophobicContact CB-CG2 4.5Å; D265-R704 IonicContact OD1-NE 3.95Å; D265-R704 IonicContact OD2-CZ 2.82Å; D265-R704 IonicContact OD2-NE 2.67Å; D265-R704 PolarHBondContact OD2-NE 2.95Å; D265-R704 IonicContact OD2-NH2 3.01Å; D265-R704 PolarHBondContact OD2-NH2 3.37Å |
| 266 | N | 87.7 | Confident | 90.3 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.068 | C | C | . | . | S | Bend | trans | 63.8 | 26.8 | -179.1 | -143.3 | 48.6 | 0 | 0 | 0 | 114.7 | D221 C222 D263 Q264 Q283 V692 L695 | D221-N266 WeakPolarHBondContact CB-OD1 3.37Å; D221-N266 PolarHBondContact OD2-ND2 3.01Å; C222-N266 HydrophobicContact CB-CB 4.08Å; C222-N266 PolarHBondContact N-OD1 2.97Å; D263-N266 WeakPolarHBondContact O-CA 3.45Å; D263-N266 PolarHBondContact O-N 3.27Å; Q264-N266 VanDerWaalsContact C-N 3.28Å; N266-Q283 PolarHBondContact O-NE2 3.48Å; N266-V692 WeakPolarHBondContact ND2-CG1 3.4Å; N266-L695 HydrophobicContact CB-CD1 3.94Å; N266-L695 HydrophobicContact CB-CG 3.86Å |
| 267 | I | 89.9 | Confident | 90.4 | Very high | 62 Ų | 62 | 11.9 Ų | 11.9 | 32% | 0.318 | 6% | 0.061 | S | C | . | . | trans | -101.3 | -49.6 | -177.9 | -58.4 | 171.5 | 0 | 0 | 0 | 111.7 | D265 L282 Q283 | D265-I267 VanDerWaalsContact C-N 3.3Å; D265-I267 HydrophobicContact CB-CD1 4.04Å; D265-I267 HydrophobicContact CB-CG1 4.22Å; D265-I267 PolarHBondContact O-N 3.42Å; I267-L282 WeakPolarHBondContact O-CB 3.48Å; I267-L282 PolarHBondContact O-N 2.76Å; I267-Q283 PolarHBondContact O-OE1 3.32Å | ||
| 268 | L | 92.6 | Very high | 90.5 | Very high | 7 Ų | 7 | 14.5 Ų | 14.5 | 4% | 0.037 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 141.2 | -172.4 | -55.3 | 175.2 | 0 | 0 | 0 | 111.8 | I262 D263 V279 I288 F303 W328 | I262-L268 WeakPolarHBondContact CA-O 3.17Å; D263-L268 HydrophobicContact CB-CB 3.99Å; D263-L268 PolarHBondContact N-O 2.67Å; L268-V279 HydrophobicContact CB-CG1 4.2Å; L268-V279 HydrophobicContact CD2-CG1 4.31Å; L268-I288 HydrophobicContact CD2-CD1 3.43Å; L268-I288 VanDerWaalsContact CD2-CD1 3.43Å; L268-F303 HydrophobicContact CB-CE1 3.97Å; L268-F303 HydrophobicContact CB-CZ 3.66Å; L268-F303 HydrophobicContact CD1-CE1 4.1Å; L268-W328 HydrophobicContact CD1-CD2 3.99Å; L268-W328 HydrophobicContact CD1-CE3 3.98Å; L268-W328 HydrophobicContact CD1-CH2 3.85Å; L268-W328 HydrophobicContact CD1-CZ2 3.89Å; L268-W328 HydrophobicContact CD1-CZ3 3.91Å; L268-W328 HydrophobicContact CD2-CH2 3.74Å; L268-W328 HydrophobicContact CD2-CZ2 4.16Å; L268-W328 HydrophobicContact CD2-CZ3 4.3Å; L268-W328 HydrophobicContact CG-CH2 4.45Å |
| 269 | M | 94.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 123.2 | 169.6 | -176.7 | -171.4 | 64.7 | 0 | 0 | 110 | I228 V236 F250 V260 A261 V271 V279 Y280 L282 | I228-M269 HydrophobicContact CD1-SD 3.92Å; I228-M269 HydrophobicContact CG2-SD 3.92Å; V236-M269 HydrophobicContact CG1-CE 4.13Å; V236-M269 HydrophobicContact CG1-SD 3.92Å; F250-M269 HydrophobicContact CD1-CE 4.17Å; F250-M269 HydrophobicContact CD2-CE 3.57Å; F250-M269 HydrophobicContact CE1-CE 4.02Å; F250-M269 HydrophobicContact CE2-CE 3.4Å; F250-M269 VanDerWaalsContact CE2-CE 3.4Å; F250-M269 HydrophobicContact CE2-SD 4.21Å; F250-M269 HydrophobicContact CG-CE 3.95Å; F250-M269 HydrophobicContact CZ-CE 3.65Å; V260-M269 HydrophobicContact CG1-CG 3.77Å; V260-M269 HydrophobicContact CG1-SD 3.83Å; A261-M269 CarbonylContact O-C 3.49Å; A261-M269 WeakPolarHBondContact O-CA 3.3Å; M269-V271 HydrophobicContact CE-CG2 3.74Å; M269-V271 HydrophobicContact CG-CG2 4.32Å; M269-V271 HydrophobicContact SD-CG2 4.35Å; M269-V279 WeakPolarHBondContact O-CA 3.47Å; M269-Y280 HydrophobicContact CE-CD2 3.87Å; M269-Y280 HydrophobicContact CE-CG 4.18Å; M269-Y280 PolarHBondContact N-O 2.99Å; M269-Y280 PolarHBondContact O-N 3.3Å; M269-L282 HydrophobicContact CB-CD1 4.27Å; M269-L282 HydrophobicContact SD-CD1 4.35Å |
| 270 | A | 94.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 129.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111 | V260 A261 R278 V279 V301 F303 L314 | V260-A270 CarbonylContact C-O 3.54Å; V260-A270 WeakPolarHBondContact CA-O 3.4Å; A261-A270 PolarHBondContact N-O 2.66Å; A261-A270 PolarHBondContact O-N 3.31Å; A270-R278 WeakPolarHBondContact CA-O 3.41Å; A270-V279 HydrophobicContact CB-CG2 4.23Å; A270-V301 HydrophobicContact CB-CG2 4.29Å; A270-F303 HydrophobicContact CB-CE2 3.74Å; A270-F303 HydrophobicContact CB-CZ 3.86Å; A270-L314 HydrophobicContact CB-CD1 3.63Å; A270-L314 HydrophobicContact CB-CD2 3.97Å; A270-L314 HydrophobicContact CB-CG 4.46Å |
| 271 | V | 94.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 122.9 | -174.5 | -174.8 | 0 | 0 | 0 | 0 | 109.6 | V236 I253 I257 V260 M269 N277 R278 Y280 | V236-V271 HydrophobicContact CG2-CG1 3.8Å; V236-V271 HydrophobicContact CG2-CG2 3.95Å; I253-V271 HydrophobicContact CD1-CB 4.31Å; I253-V271 HydrophobicContact CD1-CG1 3.56Å; I257-V271 HydrophobicContact CD1-CG1 4.03Å; I257-V271 HydrophobicContact CG1-CG1 4.43Å; I257-V271 HydrophobicContact CG2-CG1 3.72Å; V260-V271 HydrophobicContact CG2-CG1 4.25Å; V260-V271 HydrophobicContact CG2-CG2 4.37Å; M269-V271 HydrophobicContact CE-CG2 3.74Å; M269-V271 HydrophobicContact CG-CG2 4.32Å; M269-V271 HydrophobicContact SD-CG2 4.35Å; V271-N277 CarbonylContact O-C 3.57Å; V271-N277 WeakPolarHBondContact O-CA 3.17Å; V271-R278 PolarHBondContact N-O 2.89Å; V271-R278 PolarHBondContact O-N 3.14Å; V271-Y280 HydrophobicContact CB-CE2 4.29Å; V271-Y280 HydrophobicContact CG2-CD2 3.96Å; V271-Y280 HydrophobicContact CG2-CE2 3.91Å |
| 272 | S | 92.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 124.6 | -176.7 | 60.3 | 0 | 0 | 0 | 0 | 112.5 | N258 D259 N277 | N258-S272 PolarHBondContact N-O 3.06Å; N258-S272 PolarHBondContact ND2-O 3.48Å; D259-S272 WeakPolarHBondContact CA-OG 3.3Å; D259-S272 WeakPolarHBondContact CB-OG 3.33Å; D259-S272 PolarHBondContact N-OG 3.25Å; D259-S272 VanDerWaalsContact N-OG 3.09Å; D259-S272 PolarHBondContact O-N 2.78Å; D259-S272 PolarHBondContact O-OG 2.95Å; S272-N277 WeakPolarHBondContact CB-OD1 3.29Å |
| 273 | S | 90.2 | Very high | 90.5 | Very high | 3 Ų | 3 | 16.1 Ų | 16.1 | 2% | 0.021 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 126.2 | -178.6 | 60.1 | 0 | 0 | 0 | 0 | 109.5 | H275 V276 R278 | S273-H275 PolarHBondContact O-N 3.44Å; S273-V276 PolarHBondContact N-O 2.74Å; S273-V276 PolarHBondContact O-N 3.48Å; S273-R278 PolarHBondContact OG-NH1 2.92Å |
| 274 | D | 86.6 | Confident | 90.1 | Very high | 33 Ų | 33 | 18.7 Ų | 18.7 | 18% | 0.176 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 42 | -107.3 | -173.1 | -47.2 | -47.8 | 0 | 0 | 0 | 113.1 | T255 N258 N297 L298 | T255-D274 WeakPolarHBondContact CB-OD2 3.39Å; T255-D274 WeakPolarHBondContact CG2-OD2 3.49Å; T255-D274 PolarHBondContact OG1-OD2 2.89Å; N258-D274 PolarHBondContact ND2-N 2.91Å; D274-N297 WeakPolarHBondContact CA-OD1 3.46Å; D274-N297 CarbonylContact O-C 3.48Å; D274-N297 WeakPolarHBondContact O-CA 3.41Å; D274-L298 WeakPolarHBondContact O-CB 3.43Å; D274-L298 WeakPolarHBondContact O-CG 3.27Å; D274-L298 PolarHBondContact O-N 3.19Å |
| 275 | H | 89 | Confident | 90.2 | Very high | 80 Ų | 80 | 18.6 Ų | 18.6 | 37% | 0.37 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | 0.9 | -175.1 | -54.2 | -60.6 | 0 | 0 | 0 | 114.5 | S273 A295 G296 | S273-H275 PolarHBondContact O-N 3.44Å; H275-A295 PolarHBondContact CE1-O 3.44Å; H275-A295 VanDerWaalsContact CE1-O 3.29Å; H275-A295 PolarHBondContact ND1-O 3.07Å; H275-G296 PolarHBondContact ND1-O 2.77Å |
| 276 | V | 92 | Very high | 90.2 | Very high | 26 Ų | 26 | 25 Ų | 25 | 16% | 0.158 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 137 | -163.9 | -177.5 | 0 | 0 | 0 | 0 | 111.5 | S273 V290 V292 L298 | S273-V276 PolarHBondContact N-O 2.74Å; S273-V276 PolarHBondContact O-N 3.48Å; V276-V290 HydrophobicContact CG1-CG1 3.51Å; V276-V292 HydrophobicContact CG1-CG2 4.08Å; V276-V292 HydrophobicContact CG2-CG2 4.08Å; V276-L298 VanDerWaalsContact C-CD1 3.44Å; V276-L298 WeakPolarHBondContact O-CD1 3.41Å |
| 277 | N | 92 | Very high | 90.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 133.5 | 165.2 | -53.3 | -81.5 | 0 | 0 | 0 | 109.1 | V271 S272 L291 L298 | V271-N277 CarbonylContact O-C 3.57Å; V271-N277 WeakPolarHBondContact O-CA 3.17Å; S272-N277 WeakPolarHBondContact CB-OD1 3.29Å; N277-L291 HydrophobicContact CB-CB 4.22Å; N277-L291 HydrophobicContact CB-CD1 4.35Å; N277-L291 PolarHBondContact N-O 2.86Å; N277-L291 VanDerWaalsContact N-O 3.12Å; N277-L291 PolarHBondContact O-N 3.17Å; N277-L298 WeakPolarHBondContact OD1-CD1 3.48Å |
| 278 | R | 93 | Very high | 90.1 | Very high | 56 Ų | 56 | 26.3 Ų | 26.3 | 21% | 0.211 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 137.1 | 170.1 | -67.1 | -176.3 | -177.2 | 75.5 | 1.6 | 109.2 | A270 V271 S273 Y280 L287 V290 | A270-R278 WeakPolarHBondContact CA-O 3.41Å; V271-R278 PolarHBondContact N-O 2.89Å; V271-R278 PolarHBondContact O-N 3.14Å; S273-R278 PolarHBondContact OG-NH1 2.92Å; R278-Y280 HydrophobicContact CB-CD2 4.43Å; R278-Y280 HydrophobicContact CB-CE2 3.63Å; R278-Y280 WeakPolarHBondContact CD-OH 3.35Å; R278-L287 HydrophobicContact CB-CD1 4.07Å; R278-L287 HydrophobicContact CG-CD1 4.47Å; R278-V290 HydrophobicContact CG-CG1 4.37Å; R278-V290 HydrophobicContact CG-CG2 4.38Å |
| 279 | V | 93.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 131.7 | 177.5 | -172.8 | 0 | 0 | 0 | 0 | 110 | L268 M269 A270 I288 D289 L291 L314 F335 | L268-V279 HydrophobicContact CB-CG1 4.2Å; L268-V279 HydrophobicContact CD2-CG1 4.31Å; M269-V279 WeakPolarHBondContact O-CA 3.47Å; A270-V279 HydrophobicContact CB-CG2 4.23Å; V279-I288 PolarHBondContact O-N 2.73Å; V279-D289 HydrophobicContact CB-CB 4.26Å; V279-D289 PolarHBondContact N-O 3.49Å; V279-D289 PolarHBondContact O-N 3.4Å; V279-L291 HydrophobicContact CG2-CD1 3.95Å; V279-L291 HydrophobicContact CG2-CG 4.42Å; V279-L314 HydrophobicContact CG2-CD2 4.49Å; V279-F335 HydrophobicContact CB-CE2 4.25Å; V279-F335 HydrophobicContact CG1-CE2 4.11Å; V279-F335 HydrophobicContact CG2-CD2 4.34Å; V279-F335 HydrophobicContact CG2-CE2 3.76Å; V279-F335 HydrophobicContact CG2-CZ 4.48Å |
| 280 | Y | 92.7 | Very high | 89.7 | Confident | 14 Ų | 14 | 30.4 Ų | 30.4 | 6% | 0.055 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 152 | -178.5 | -59.5 | -94.1 | 0 | 0 | 0 | 110.7 | F250 M269 V271 R278 R286 L287 | F250-Y280 AromaticContact CD1-CD1 3.38Å; F250-Y280 HydrophobicContact CD1-CD1 3.38Å; F250-Y280 HydrophobicContact CD1-CD2 4.35Å; F250-Y280 AromaticContact CD1-CE1 3.79Å; F250-Y280 HydrophobicContact CD1-CE1 3.79Å; F250-Y280 AromaticContact CD1-CG 3.69Å; F250-Y280 HydrophobicContact CD1-CG 3.69Å; F250-Y280 AromaticContact CE1-CD1 3.71Å; F250-Y280 HydrophobicContact CE1-CD1 3.71Å; F250-Y280 AromaticContact CE1-CG 3.76Å; F250-Y280 HydrophobicContact CE1-CG 3.76Å; F250-Y280 HydrophobicContact CG-CD1 4.43Å; M269-Y280 HydrophobicContact CE-CD2 3.87Å; M269-Y280 HydrophobicContact CE-CG 4.18Å; M269-Y280 PolarHBondContact N-O 2.99Å; M269-Y280 PolarHBondContact O-N 3.3Å; V271-Y280 HydrophobicContact CB-CE2 4.29Å; V271-Y280 HydrophobicContact CG2-CD2 3.96Å; V271-Y280 HydrophobicContact CG2-CE2 3.91Å; R278-Y280 HydrophobicContact CB-CD2 4.43Å; R278-Y280 HydrophobicContact CB-CE2 3.63Å; R278-Y280 WeakPolarHBondContact CD-OH 3.35Å; Y280-R286 CarbonylContact C-O 3.55Å; Y280-R286 VanDerWaalsContact CA-O 3.26Å; Y280-R286 WeakPolarHBondContact CA-O 3.41Å; Y280-L287 HydrophobicContact CD1-CB 4.09Å; Y280-L287 HydrophobicContact CD1-CD1 3.97Å; Y280-L287 HydrophobicContact CE1-CB 4.01Å; Y280-L287 HydrophobicContact CE1-CD1 3.6Å; Y280-L287 HydrophobicContact CE1-CG 4.39Å; Y280-L287 HydrophobicContact CE2-CD1 4.29Å; Y280-L287 HydrophobicContact CG-CD1 4.47Å |
| 281 | S | 91.3 | Very high | 89.6 | Confident | 15 Ų | 15 | 30.7 Ų | 30.7 | 11% | 0.105 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 134.5 | 163.3 | 142.8 | 0 | 0 | 0 | 0 | 109.3 | Q283 D284 G285 R286 | S281-Q283 PolarHBondContact OG-N 2.81Å; S281-D284 WeakPolarHBondContact CB-OD1 3.49Å; S281-D284 PolarHBondContact OG-N 3.21Å; S281-D284 VanDerWaalsContact OG-N 3.14Å; S281-D284 PolarHBondContact OG-OD1 2.84Å; S281-G285 WeakPolarHBondContact O-CA 3.4Å; S281-G285 PolarHBondContact O-N 2.94Å; S281-R286 PolarHBondContact N-O 2.99Å |
| 282 | L | 88.3 | Confident | 89.5 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -17 | 179.9 | -162.8 | 65.8 | 0 | 0 | 0 | 112.1 | I228 I262 I267 M269 V692 | I228-L282 HydrophobicContact CD1-CD1 3.58Å; I262-L282 HydrophobicContact CG2-CD2 4.1Å; I267-L282 WeakPolarHBondContact O-CB 3.48Å; I267-L282 PolarHBondContact O-N 2.76Å; M269-L282 HydrophobicContact CB-CD1 4.27Å; M269-L282 HydrophobicContact SD-CD1 4.35Å; L282-V692 HydrophobicContact CD1-CG2 4.17Å; L282-V692 HydrophobicContact CD2-CB 4.1Å; L282-V692 HydrophobicContact CD2-CG1 3.93Å; L282-V692 HydrophobicContact CD2-CG2 4.15Å; L282-V692 HydrophobicContact CG-CB 3.83Å; L282-V692 HydrophobicContact CG-CG1 4.23Å; L282-V692 HydrophobicContact CG-CG2 3.78Å; L282-V692 PolarHBondContact O-N 3.43Å |
| 283 | Q | 86.4 | Confident | 88.9 | Confident | 24 Ų | 24 | 36.9 Ų | 36.9 | 11% | 0.112 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -59.2 | 177.4 | -73.2 | 67 | 29.7 | 0 | 0 | 111.9 | N266 I267 S281 D690 I691 | N266-Q283 PolarHBondContact O-NE2 3.48Å; I267-Q283 PolarHBondContact O-OE1 3.32Å; S281-Q283 PolarHBondContact OG-N 2.81Å; Q283-D690 HydrophobicContact CB-CB 4.47Å; Q283-D690 CarbonylContact O-C 3.57Å; Q283-D690 WeakPolarHBondContact O-CA 3.41Å; Q283-I691 WeakPolarHBondContact O-CB 3.47Å; Q283-I691 WeakPolarHBondContact O-CG1 3.45Å; Q283-I691 PolarHBondContact O-N 3.23Å |
| 284 | D | 81.7 | Confident | 88.9 | Confident | 61 Ų | 61 | 37.3 Ų | 37.3 | 33% | 0.326 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -8.2 | -172.9 | 75 | -12.5 | 0 | 0 | 0 | 114.2 | S281 R286 H610 | S281-D284 WeakPolarHBondContact CB-OD1 3.49Å; S281-D284 PolarHBondContact OG-N 3.21Å; S281-D284 VanDerWaalsContact OG-N 3.14Å; S281-D284 PolarHBondContact OG-OD1 2.84Å; D284-R286 VanDerWaalsContact C-N 3.26Å; D284-R286 PolarHBondContact O-N 2.82Å; D284-R286 WeakPolarHBondContact OD1-CB 3.48Å; D284-R286 PolarHBondContact OD1-N 3.3Å; D284-R286 WeakPolarHBondContact OD2-CB 3.45Å; D284-H610 WeakPolarHBondContact O-CB 3.22Å |
| 285 | G | 86.3 | Confident | 88.8 | Confident | 7 Ų | 7 | 38.5 Ų | 38.5 | 7% | 0.072 | 21% | 0.211 | C | C | . | . | trans | 77.2 | 8.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | S281 | S281-G285 WeakPolarHBondContact O-CA 3.4Å; S281-G285 PolarHBondContact O-N 2.94Å | ||
| 286 | R | 84.1 | Confident | 88.6 | Confident | 136 Ų | 136 | 34.7 Ų | 34.7 | 51% | 0.513 | 19% | 0.193 | S | C | . | . | trans | -70.6 | 141.4 | 179.9 | 179.5 | 176 | 169.4 | -173.3 | -1.8 | 111.7 | Y280 S281 D284 | Y280-R286 CarbonylContact C-O 3.55Å; Y280-R286 VanDerWaalsContact CA-O 3.26Å; Y280-R286 WeakPolarHBondContact CA-O 3.41Å; S281-R286 PolarHBondContact N-O 2.99Å; D284-R286 VanDerWaalsContact C-N 3.26Å; D284-R286 PolarHBondContact O-N 2.82Å; D284-R286 WeakPolarHBondContact OD1-CB 3.48Å; D284-R286 PolarHBondContact OD1-N 3.3Å; D284-R286 WeakPolarHBondContact OD2-CB 3.45Å | ||
| 287 | L | 87.7 | Confident | 88.3 | Confident | 51 Ų | 51 | 35.7 Ų | 35.7 | 27% | 0.267 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 122.4 | 165.9 | 179.8 | 69.7 | 0 | 0 | 0 | 108.6 | R278 Y280 V290 | R278-L287 HydrophobicContact CB-CD1 4.07Å; R278-L287 HydrophobicContact CG-CD1 4.47Å; Y280-L287 HydrophobicContact CD1-CB 4.09Å; Y280-L287 HydrophobicContact CD1-CD1 3.97Å; Y280-L287 HydrophobicContact CE1-CB 4.01Å; Y280-L287 HydrophobicContact CE1-CD1 3.6Å; Y280-L287 HydrophobicContact CE1-CG 4.39Å; Y280-L287 HydrophobicContact CE2-CD1 4.29Å; Y280-L287 HydrophobicContact CG-CD1 4.47Å; L287-V290 HydrophobicContact CD1-CG2 4.24Å; L287-V290 HydrophobicContact CD2-CG2 4.04Å; L287-V290 HydrophobicContact CG-CG2 4.44Å |
| 288 | I | 89.5 | Confident | 88.3 | Confident | 39 Ų | 39 | 35.7 Ų | 35.7 | 20% | 0.2 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | -49.1 | 179.8 | -57.6 | 172 | 0 | 0 | 0 | 110.1 | L268 V279 W328 Q333 | L268-I288 HydrophobicContact CD2-CD1 3.43Å; L268-I288 VanDerWaalsContact CD2-CD1 3.43Å; V279-I288 PolarHBondContact O-N 2.73Å; I288-W328 HydrophobicContact CG2-CH2 4.28Å; I288-W328 HydrophobicContact CG2-CZ3 4.39Å; I288-Q333 VanDerWaalsContact CG2-O 3.23Å; I288-Q333 WeakPolarHBondContact CG2-O 3.33Å |
| 289 | D | 87.7 | Confident | 87.8 | Confident | 34 Ų | 34 | 35.7 Ų | 35.7 | 18% | 0.182 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 157.5 | -165.5 | -147.4 | -31 | 0 | 0 | 0 | 112.9 | V279 L291 F335 | V279-D289 HydrophobicContact CB-CB 4.26Å; V279-D289 PolarHBondContact N-O 3.49Å; V279-D289 PolarHBondContact O-N 3.4Å; D289-L291 HydrophobicContact CB-CD2 4.24Å; D289-F335 HydrophobicContact CB-CD2 4.31Å; D289-F335 WeakPolarHBondContact OD2-CB 3.28Å; D289-F335 PolarHBondContact OD2-N 3.18Å |
| 290 | V | 90.3 | Very high | 87.3 | Confident | 60 Ų | 60 | 35.9 Ų | 35.9 | 36% | 0.364 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 95.6 | -178.3 | -174.5 | 0 | 0 | 0 | 0 | 109.7 | V276 R278 L287 V292 | V276-V290 HydrophobicContact CG1-CG1 3.51Å; R278-V290 HydrophobicContact CG-CG1 4.37Å; R278-V290 HydrophobicContact CG-CG2 4.38Å; L287-V290 HydrophobicContact CD1-CG2 4.24Å; L287-V290 HydrophobicContact CD2-CG2 4.04Å; L287-V290 HydrophobicContact CG-CG2 4.44Å; V290-V292 HydrophobicContact CG1-CG2 4.31Å; V290-V292 PolarHBondContact O-N 3.13Å |
| 291 | L | 92.8 | Very high | 87.3 | Confident | 5 Ų | 5 | 35.4 Ų | 35.4 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 110.3 | -168.7 | -47.4 | 177.5 | 0 | 0 | 0 | 111.1 | N277 V279 D289 L314 W326 F335 | N277-L291 HydrophobicContact CB-CB 4.22Å; N277-L291 HydrophobicContact CB-CD1 4.35Å; N277-L291 PolarHBondContact N-O 2.86Å; N277-L291 VanDerWaalsContact N-O 3.12Å; N277-L291 PolarHBondContact O-N 3.17Å; V279-L291 HydrophobicContact CG2-CD1 3.95Å; V279-L291 HydrophobicContact CG2-CG 4.42Å; D289-L291 HydrophobicContact CB-CD2 4.24Å; L291-L314 HydrophobicContact CD1-CD2 3.6Å; L291-W326 HydrophobicContact CB-CD2 3.86Å; L291-W326 HydrophobicContact CB-CE3 3.85Å; L291-W326 HydrophobicContact CB-CH2 4Å; L291-W326 HydrophobicContact CB-CZ2 3.97Å; L291-W326 HydrophobicContact CB-CZ3 3.93Å; L291-W326 HydrophobicContact CD1-CB 4.14Å; L291-W326 HydrophobicContact CD1-CD2 3.91Å; L291-W326 HydrophobicContact CD1-CE3 4.36Å; L291-W326 HydrophobicContact CD1-CG 3.78Å; L291-W326 HydrophobicContact CD2-CD2 4.41Å; L291-W326 HydrophobicContact CD2-CE3 4.02Å; L291-W326 HydrophobicContact CG-CD2 4.28Å; L291-W326 HydrophobicContact CG-CE3 4.29Å; L291-F335 HydrophobicContact CD1-CD2 4.13Å; L291-F335 HydrophobicContact CD1-CE2 4.43Å; L291-F335 HydrophobicContact CD1-CG 4.19Å; L291-F335 HydrophobicContact CD2-CB 3.66Å; L291-F335 HydrophobicContact CD2-CD2 3.98Å; L291-F335 HydrophobicContact CD2-CG 3.92Å |
| 292 | V | 91.2 | Very high | 87.2 | Confident | 99 Ų | 99 | 34.9 Ų | 34.9 | 60% | 0.6 | 20% | 0.196 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -118 | 124.7 | -174.3 | -175 | 0 | 0 | 0 | 0 | 110.5 | V276 V290 W326 | V276-V292 HydrophobicContact CG1-CG2 4.08Å; V276-V292 HydrophobicContact CG2-CG2 4.08Å; V290-V292 HydrophobicContact CG1-CG2 4.31Å; V290-V292 PolarHBondContact O-N 3.13Å; V292-W326 WeakPolarHBondContact O-CH2 3.46Å |
| 293 | G | 81.4 | Confident | 87.4 | Confident | 31 Ų | 31 | 35.3 Ų | 35.3 | 32% | 0.32 | 20% | 0.198 | S | C | . | . | trans | 175.6 | -7.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | K341 | G293-K341 PolarHBondContact O-NZ 2.86Š| ||
| 294 | H | 88.9 | Confident | 87.7 | Confident | 12 Ų | 12 | 34.4 Ų | 34.4 | 6% | 0.056 | 20% | 0.195 | C | C | . | . | trans | -87.8 | 141.5 | 169.8 | -68.7 | -85.5 | 0 | 0 | 0 | 110.6 | L298 S316 C324 | H294-L298 VanDerWaalsContact CD2-CD2 3.49Å; H294-L298 WeakPolarHBondContact CD2-CD2 3.48Å; H294-S316 PolarHBondContact CE1-O 3.49Å; H294-S316 VanDerWaalsContact CE1-O 3.32Å; H294-S316 PolarHBondContact NE2-OG 2.65Å; H294-C324 PolarHBondContact CE1-SG 3.08Å; H294-C324 WeakPolarHBondContact NE2-CB 3.5Å | ||
| 295 | A | 85.1 | Confident | 88 | Confident | 59 Ų | 59 | 32.6 Ų | 32.6 | 49% | 0.488 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -93.3 | -26.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112 | H275 F320 E322 | H275-A295 PolarHBondContact CE1-O 3.44Å; H275-A295 VanDerWaalsContact CE1-O 3.29Å; H275-A295 PolarHBondContact ND1-O 3.07Å; A295-F320 HydrophobicContact CB-CD2 4.28Å; A295-F320 HydrophobicContact CB-CE2 4.42Å; A295-F320 WeakPolarHBondContact O-CE2 3.33Å; A295-E322 WeakPolarHBondContact CB-OE1 3.27Å; A295-E322 VanDerWaalsContact N-CD 3.34Å; A295-E322 PolarHBondContact N-OE1 2.76Å; A295-E322 PolarHBondContact N-OE2 3.1Å; A295-E322 VanDerWaalsContact N-OE2 3.09Å |
| 296 | G | 83.7 | Confident | 88.1 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -86.1 | 163.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | H275 L298 N319 F320 E322 | H275-G296 PolarHBondContact ND1-O 2.77Å; G296-L298 PolarHBondContact O-N 2.88Å; G296-N319 WeakPolarHBondContact CA-OD1 3.45Å; G296-F320 VanDerWaalsContact N-CD2 3.35Å; G296-E322 PolarHBondContact N-OE2 2.99Å |
| 297 | N | 87.3 | Confident | 87.9 | Confident | 46 Ų | 46 | 31.5 Ų | 31.5 | 25% | 0.246 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -68.2 | 125.9 | 169.2 | -85.2 | -38.8 | 0 | 0 | 0 | 110 | D274 S318 N319 | D274-N297 WeakPolarHBondContact CA-OD1 3.46Å; D274-N297 CarbonylContact O-C 3.48Å; D274-N297 WeakPolarHBondContact O-CA 3.41Å; N297-S318 CarbonylContact O-C 3.58Å; N297-S318 WeakPolarHBondContact O-CA 3.34Å; N297-N319 PolarHBondContact N-OD1 2.99Å; N297-N319 WeakPolarHBondContact O-CB 3.48Å; N297-N319 PolarHBondContact O-N 3.19Å; N297-N319 PolarHBondContact O-OD1 2.94Å |
| 298 | L | 90.4 | Very high | 87.7 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.6 | 137.7 | 173 | -71.2 | 163.8 | 0 | 0 | 0 | 111.1 | N258 D274 V276 N277 H294 G296 I317 | N258-L298 VanDerWaalsContact CG-O 3.23Å; N258-L298 PolarHBondContact ND2-O 3.43Å; N258-L298 PolarHBondContact OD1-O 3.42Å; D274-L298 WeakPolarHBondContact O-CB 3.43Å; D274-L298 WeakPolarHBondContact O-CG 3.27Å; D274-L298 PolarHBondContact O-N 3.19Å; V276-L298 VanDerWaalsContact C-CD1 3.44Å; V276-L298 WeakPolarHBondContact O-CD1 3.41Å; N277-L298 WeakPolarHBondContact OD1-CD1 3.48Å; H294-L298 VanDerWaalsContact CD2-CD2 3.49Å; H294-L298 WeakPolarHBondContact CD2-CD2 3.48Å; G296-L298 PolarHBondContact O-N 2.88Å; L298-I317 CarbonylContact C-O 3.51Å; L298-I317 WeakPolarHBondContact CA-O 3.24Å |
| 299 | Q | 84.1 | Confident | 87.3 | Confident | 56 Ų | 56 | 32.8 Ų | 32.8 | 26% | 0.262 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | -10.8 | 176.2 | -67.2 | -167.1 | -21.9 | 0 | 0 | 113.2 | I317 N319 R352 G828 | Q299-I317 PolarHBondContact N-O 3.25Å; Q299-N319 HydrophobicContact CG-CB 4.03Å; Q299-R352 PolarHBondContact NE2-O 3.17Å; Q299-G828 VanDerWaalsContact O-CA 3.23Å; Q299-G828 WeakPolarHBondContact O-CA 3.28Å |
| 300 | G | 83.3 | Confident | 87 | Confident | 4 Ų | 4 | 35.6 Ų | 35.6 | 4% | 0.041 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.2 | 160.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | D259 I317 | D259-G300 WeakPolarHBondContact OD2-CA 3.49Å; G300-I317 WeakPolarHBondContact O-CG1 3.42Å; G300-I317 PolarHBondContact O-N 3.39Å; G300-I317 VanDerWaalsContact O-N 3.1Å |
| 301 | V | 91.4 | Very high | 86.7 | Confident | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 151.4 | 178.9 | 69.9 | 0 | 0 | 0 | 0 | 109.7 | D259 A261 A270 L314 C315 S830 | D259-V301 HydrophobicContact CB-CG1 4.31Å; A261-V301 HydrophobicContact CB-CG1 4.06Å; A270-V301 HydrophobicContact CB-CG2 4.29Å; V301-L314 HydrophobicContact CG2-CD1 3.88Å; V301-L314 HydrophobicContact CG2-CD2 3.82Å; V301-L314 HydrophobicContact CG2-CG 3.81Å; V301-C315 CarbonylContact C-O 3.12Å; V301-C315 WeakPolarHBondContact CA-O 3.5Å; V301-C315 WeakPolarHBondContact CG2-O 3.43Å; V301-S830 WeakPolarHBondContact CG1-OG 3.3Å; V301-S830 WeakPolarHBondContact O-CB 3.42Å; V301-S830 PolarHBondContact O-OG 2.88Å |
| 302 | C | 90.7 | Very high | 86.6 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 3% | 0.027 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 144.3 | 175.5 | 44.9 | 0 | 0 | 0 | 0 | 112 | L314 C315 L832 | C302-L314 CarbonylContact O-C 3.47Å; C302-L314 WeakPolarHBondContact O-CA 3.48Å; C302-C315 PolarHBondContact N-O 2.9Å; C302-C315 PolarHBondContact O-N 2.91Å; C302-L832 HydrophobicContact CB-CB 3.99Å; C302-L832 HydrophobicContact CB-CD1 3.52Å; C302-L832 HydrophobicContact CB-CG 4.14Å |
| 303 | F | 91.8 | Very high | 86.7 | Confident | 10 Ų | 10 | 31.2 Ų | 31.2 | 4% | 0.044 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 139.3 | 159.8 | -67.4 | -89 | 0 | 0 | 0 | 108.4 | A261 I262 D263 L268 A270 L314 F335 | A261-F303 HydrophobicContact CB-CD2 3.91Å; A261-F303 HydrophobicContact CB-CE2 4.17Å; I262-F303 WeakPolarHBondContact O-CD2 3.22Å; D263-F303 HydrophobicContact CB-CD1 3.84Å; D263-F303 HydrophobicContact CB-CD2 4.12Å; D263-F303 HydrophobicContact CB-CE1 3.91Å; D263-F303 HydrophobicContact CB-CE2 4.19Å; D263-F303 HydrophobicContact CB-CG 3.95Å; D263-F303 HydrophobicContact CB-CZ 4.09Å; L268-F303 HydrophobicContact CB-CE1 3.97Å; L268-F303 HydrophobicContact CB-CZ 3.66Å; L268-F303 HydrophobicContact CD1-CE1 4.1Å; A270-F303 HydrophobicContact CB-CE2 3.74Å; A270-F303 HydrophobicContact CB-CZ 3.86Å; F303-L314 HydrophobicContact CD1-CD1 3.71Å; F303-L314 HydrophobicContact CD2-CD1 3.81Å; F303-L314 HydrophobicContact CE1-CD1 3.66Å; F303-L314 HydrophobicContact CE2-CD1 3.76Å; F303-L314 HydrophobicContact CG-CD1 3.79Å; F303-L314 HydrophobicContact CZ-CD1 3.69Å; F303-F335 HydrophobicContact CE1-CZ 4.35Å |
| 304 | V | 91.5 | Very high | 87.3 | Confident | 5 Ų | 5 | 29.8 Ų | 29.8 | 3% | 0.03 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 130 | 170.1 | -173.6 | 0 | 0 | 0 | 0 | 107.7 | F313 C315 C358 G362 V365 L379 | V304-F313 HydrophobicContact CB-CB 4.4Å; V304-F313 HydrophobicContact CG2-CB 4.18Å; V304-F313 PolarHBondContact N-O 3.03Å; V304-C315 HydrophobicContact CG2-CB 4.14Å; V304-C358 HydrophobicContact CG1-CB 4.37Å; V304-G362 WeakPolarHBondContact CG1-O 3.44Å; V304-V365 HydrophobicContact CG1-CG2 4.45Å; V304-V365 HydrophobicContact CG2-CG2 4.07Å; V304-L379 HydrophobicContact CB-CD1 4.46Å; V304-L379 HydrophobicContact CG1-CD1 3.76Å; V304-L379 HydrophobicContact CG2-CD1 4.3Å |
| 305 | P | 88.8 | Confident | 87.5 | Confident | 23 Ų | 23 | 29.2 Ų | 29.2 | 15% | 0.149 | 15% | 0.151 | C | C | . | . | P | Polyproline II helix | trans | -53.9 | 142 | 175.3 | -25.7 | 34 | 0 | 0 | 0 | 111.9 | C358 G362 V707 | P305-C358 WeakPolarHBondContact CD-SG 3.47Å; P305-G362 WeakPolarHBondContact O-CA 3.45Å; P305-V707 HydrophobicContact CB-CG1 3.83Å; P305-V707 HydrophobicContact CB-CG2 4.1Å |
| 306 | Y | 88.1 | Confident | 87.9 | Confident | 8 Ų | 8 | 26.4 Ų | 26.4 | 3% | 0.031 | 13% | 0.128 | C | C | . | . | trans | -137.8 | 149.1 | -179.8 | 61.2 | -88.8 | 0 | 0 | 0 | 112.5 | D263 Q264 D265 R312 | D263-Y306 WeakPolarHBondContact OD1-CE1 3.09Å; D263-Y306 PolarHBondContact OD2-OH 3.5Å; Q264-Y306 HydrophobicContact CG-CD1 3.93Å; Q264-Y306 HydrophobicContact CG-CE1 3.47Å; Q264-Y306 VanDerWaalsContact CG-CE1 3.47Å; Q264-Y306 PolarHBondContact NE2-O 2.59Å; Q264-Y306 PolarHBondContact OE1-O 2.82Å; D265-Y306 VanDerWaalsContact CG-OH 3.25Å; D265-Y306 PolarHBondContact OD2-OH 2.82Å; D265-Y306 VanDerWaalsContact OD2-OH 3.1Å; Y306-R312 HydrophobicContact CD1-CB 3.77Å; Y306-R312 HydrophobicContact CD1-CG 4.35Å; Y306-R312 HydrophobicContact CD2-CB 4.41Å; Y306-R312 HydrophobicContact CD2-CG 4.12Å; Y306-R312 HydrophobicContact CE1-CB 3.96Å; Y306-R312 HydrophobicContact CE1-CG 4.38Å; Y306-R312 HydrophobicContact CE2-CG 4.18Å; Y306-R312 HydrophobicContact CG-CB 3.99Å; Y306-R312 HydrophobicContact CG-CG 4.21Å; Y306-R312 PolarHBondContact OH-NH1 3.41Å | ||
| 307 | W | 80.7 | Confident | 88.3 | Confident | 111 Ų | 111 | 26.5 Ų | 26.5 | 42% | 0.42 | 13% | 0.129 | S | C | . | . | S | Bend | trans | -115 | -35.8 | 166.7 | 57.3 | -95 | 0 | 0 | 0 | 110.6 | V707 N708 | W307-V707 HydrophobicContact CB-CG1 4.5Å; W307-N708 HydrophobicContact CB-CB 3.78Å; W307-N708 HydrophobicContact CG-CB 4.05Å |
| 308 | D | 84 | Confident | 88.4 | Confident | 40 Ų | 40 | 24.3 Ų | 24.3 | 21% | 0.214 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -82.1 | 118.7 | 170.3 | 175.7 | 18.6 | 0 | 0 | 0 | 111.5 | N310 N311 | D308-N310 PolarHBondContact O-N 3.35Å; D308-N310 WeakPolarHBondContact OD1-CB 3.06Å; D308-N310 PolarHBondContact OD1-N 3.27Å; D308-N310 PolarHBondContact OD1-ND2 2.98Å; D308-N311 PolarHBondContact O-N 3.13Å; D308-N311 PolarHBondContact OD2-ND2 2.92Å |
| 309 | E | 79.4 | Confident | 88.1 | Confident | 78 Ų | 78 | 25 Ų | 25 | 36% | 0.364 | 12% | 0.121 | S | C | . | . | G | 310 helix | trans | -60.8 | -25.8 | 177.2 | -69.6 | -134.6 | 136 | 0 | 0 | 114.1 | N311 R312 R704 | E309-N311 VanDerWaalsContact C-N 3.28Å; E309-N311 PolarHBondContact O-N 3.34Å; E309-R312 WeakPolarHBondContact O-CG 3.35Å; E309-R312 PolarHBondContact O-NE 3.24Å; E309-R312 IonicContact OE1-CZ 2.92Å; E309-R312 IonicContact OE1-NH1 2.73Å; E309-R312 IonicContact OE1-NH2 3.26Å; E309-R312 PolarHBondContact OE1-NH2 2.94Å; E309-R312 IonicContact OE2-NH2 4Å; E309-R312 PolarHBondContact OE2-NH2 3.3Å; E309-R704 IonicContact OE1-CZ 3.73Å; E309-R704 IonicContact OE1-NH1 3.58Å; E309-R704 PolarHBondContact OE1-NH1 2.85Å; E309-R704 IonicContact OE1-NH2 3.43Å; E309-R704 PolarHBondContact OE1-NH2 3.19Å |
| 310 | N | 82.8 | Confident | 88.1 | Confident | 92 Ų | 92 | 25.1 Ų | 25.1 | 49% | 0.492 | 12% | 0.12 | S | C | . | . | G | 310 helix | trans | -79.9 | -9.5 | -176.6 | -58.2 | -88.5 | 0 | 0 | 0 | 112.8 | D308 K327 | D308-N310 PolarHBondContact O-N 3.35Å; D308-N310 WeakPolarHBondContact OD1-CB 3.06Å; D308-N310 PolarHBondContact OD1-N 3.27Å; D308-N310 PolarHBondContact OD1-ND2 2.98Å; N310-K327 WeakPolarHBondContact O-CE 3.23Å; N310-K327 PolarHBondContact O-NZ 2.95Å |
| 311 | N | 84 | Confident | 88.1 | Confident | 44 Ų | 44 | 25 Ų | 25 | 24% | 0.235 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -136 | 41.8 | -167.6 | -75.2 | -50.8 | 0 | 0 | 0 | 112.8 | D308 E309 F313 K327 G382 | D308-N311 PolarHBondContact O-N 3.13Å; D308-N311 PolarHBondContact OD2-ND2 2.92Å; E309-N311 VanDerWaalsContact C-N 3.28Å; E309-N311 PolarHBondContact O-N 3.34Å; N311-F313 HydrophobicContact CB-CE2 4.2Å; N311-F313 WeakPolarHBondContact O-CD2 3.4Å; N311-F313 WeakPolarHBondContact O-CE2 3.23Å; N311-K327 PolarHBondContact OD1-NZ 2.88Å; N311-G382 WeakPolarHBondContact OD1-CA 3.45Å; N311-G382 PolarHBondContact OD1-O 2.95Å |
| 312 | R | 91 | Very high | 87.9 | Confident | 24 Ų | 24 | 25.5 Ų | 25.5 | 9% | 0.091 | 12% | 0.122 | C | C | . | . | trans | -82.6 | 133.2 | 172.6 | -6.8 | -174 | -177.2 | -156.3 | 1.7 | 110.5 | D265 Y306 E309 W328 P330 | D265-R312 IonicContact OD2-NH1 3.88Å; Y306-R312 HydrophobicContact CD1-CB 3.77Å; Y306-R312 HydrophobicContact CD1-CG 4.35Å; Y306-R312 HydrophobicContact CD2-CB 4.41Å; Y306-R312 HydrophobicContact CD2-CG 4.12Å; Y306-R312 HydrophobicContact CE1-CB 3.96Å; Y306-R312 HydrophobicContact CE1-CG 4.38Å; Y306-R312 HydrophobicContact CE2-CG 4.18Å; Y306-R312 HydrophobicContact CG-CB 3.99Å; Y306-R312 HydrophobicContact CG-CG 4.21Å; Y306-R312 PolarHBondContact OH-NH1 3.41Å; E309-R312 WeakPolarHBondContact O-CG 3.35Å; E309-R312 PolarHBondContact O-NE 3.24Å; E309-R312 IonicContact OE1-CZ 2.92Å; E309-R312 IonicContact OE1-NH1 2.73Å; E309-R312 IonicContact OE1-NH2 3.26Å; E309-R312 PolarHBondContact OE1-NH2 2.94Å; E309-R312 IonicContact OE2-NH2 4Å; E309-R312 PolarHBondContact OE2-NH2 3.3Å; R312-W328 HydrophobicContact CB-CB 4.17Å; R312-W328 HydrophobicContact CG-CB 4.43Å; R312-W328 PolarHBondContact O-N 3.25Å; R312-P330 VanDerWaalsContact NH2-CB 3.32Å | ||
| 313 | F | 92.9 | Very high | 88 | Confident | 5 Ų | 5 | 25.3 Ų | 25.3 | 2% | 0.022 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 137.9 | -176.3 | -69 | -85.6 | 0 | 0 | 0 | 112.9 | V304 N311 F325 W326 K327 Y340 L379 P384 | V304-F313 HydrophobicContact CB-CB 4.4Å; V304-F313 HydrophobicContact CG2-CB 4.18Å; V304-F313 PolarHBondContact N-O 3.03Å; N311-F313 HydrophobicContact CB-CE2 4.2Å; N311-F313 WeakPolarHBondContact O-CD2 3.4Å; N311-F313 WeakPolarHBondContact O-CE2 3.23Å; F313-F325 HydrophobicContact CD1-CB 4.1Å; F313-W326 CarbonylContact C-O 3.56Å; F313-W326 WeakPolarHBondContact CA-O 3.36Å; F313-K327 HydrophobicContact CD1-CB 4.04Å; F313-K327 HydrophobicContact CE1-CB 3.74Å; F313-K327 HydrophobicContact CE1-CD 4.15Å; F313-K327 HydrophobicContact CE1-CG 4.07Å; F313-K327 HydrophobicContact CZ-CD 4.12Å; F313-K327 HydrophobicContact CZ-CG 4.38Å; F313-Y340 HydrophobicContact CE1-CD2 4.17Å; F313-Y340 AromaticContact CE1-CE2 3.97Å; F313-Y340 HydrophobicContact CE1-CE2 3.97Å; F313-L379 HydrophobicContact CD2-CD2 3.94Å; F313-L379 HydrophobicContact CE2-CD2 3.96Å; F313-L379 HydrophobicContact CG-CD2 4.34Å; F313-L379 HydrophobicContact CZ-CD2 4.36Å; F313-P384 HydrophobicContact CD1-CG 4.26Å; F313-P384 HydrophobicContact CE1-CG 3.79Å; F313-P384 HydrophobicContact CZ-CG 4.18Å |
| 314 | L | 93.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 127 | 160.6 | -170.5 | 81.8 | 0 | 0 | 0 | 108.7 | A270 V279 L291 V301 C302 F303 F325 W326 F335 | A270-L314 HydrophobicContact CB-CD1 3.63Å; A270-L314 HydrophobicContact CB-CD2 3.97Å; A270-L314 HydrophobicContact CB-CG 4.46Å; V279-L314 HydrophobicContact CG2-CD2 4.49Å; L291-L314 HydrophobicContact CD1-CD2 3.6Å; V301-L314 HydrophobicContact CG2-CD1 3.88Å; V301-L314 HydrophobicContact CG2-CD2 3.82Å; V301-L314 HydrophobicContact CG2-CG 3.81Å; C302-L314 CarbonylContact O-C 3.47Å; C302-L314 WeakPolarHBondContact O-CA 3.48Å; F303-L314 HydrophobicContact CD1-CD1 3.71Å; F303-L314 HydrophobicContact CD2-CD1 3.81Å; F303-L314 HydrophobicContact CE1-CD1 3.66Å; F303-L314 HydrophobicContact CE2-CD1 3.76Å; F303-L314 HydrophobicContact CG-CD1 3.79Å; F303-L314 HydrophobicContact CZ-CD1 3.69Å; L314-F325 CarbonylContact O-C 3.59Å; L314-F325 WeakPolarHBondContact O-CA 3.19Å; L314-W326 HydrophobicContact CB-CB 4.26Å; L314-W326 PolarHBondContact N-O 2.82Å; L314-W326 PolarHBondContact O-N 3.05Å; L314-F335 HydrophobicContact CB-CE1 3.68Å; L314-F335 HydrophobicContact CB-CZ 4.04Å |
| 315 | C | 93.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 143.9 | 177 | -175.5 | 0 | 0 | 0 | 0 | 110.4 | V301 C302 V304 L323 F325 | V301-C315 CarbonylContact C-O 3.12Å; V301-C315 WeakPolarHBondContact CA-O 3.5Å; V301-C315 WeakPolarHBondContact CG2-O 3.43Å; C302-C315 PolarHBondContact N-O 2.9Å; C302-C315 PolarHBondContact O-N 2.91Å; V304-C315 HydrophobicContact CG2-CB 4.14Å; C315-L323 WeakPolarHBondContact SG-CD1 3.3Å; C315-F325 HydrophobicContact CB-CD1 4.22Å; C315-F325 HydrophobicContact CB-CE1 4.4Å |
| 316 | S | 93.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 142.2 | -175.4 | 55.8 | 0 | 0 | 0 | 0 | 112.2 | H294 L323 C324 W326 | H294-S316 PolarHBondContact CE1-O 3.49Å; H294-S316 VanDerWaalsContact CE1-O 3.32Å; H294-S316 PolarHBondContact NE2-OG 2.65Å; S316-L323 WeakPolarHBondContact O-CA 3.45Å; S316-C324 PolarHBondContact N-O 3.47Å; S316-C324 PolarHBondContact O-N 3.41Å; S316-C324 PolarHBondContact OG-O 3.38Å; S316-W326 PolarHBondContact OG-NE1 2.6Å |
| 317 | I | 91.2 | Very high | 88.8 | Confident | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.015 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 138.3 | -173.5 | 47.3 | 162.8 | 0 | 0 | 0 | 113.6 | L298 Q299 G300 E322 L323 M354 V356 V367 | L298-I317 CarbonylContact C-O 3.51Å; L298-I317 WeakPolarHBondContact CA-O 3.24Å; Q299-I317 PolarHBondContact N-O 3.25Å; G300-I317 WeakPolarHBondContact O-CG1 3.42Å; G300-I317 PolarHBondContact O-N 3.39Å; G300-I317 VanDerWaalsContact O-N 3.1Å; I317-E322 WeakPolarHBondContact CA-O 3.38Å; I317-L323 HydrophobicContact CG2-CD1 3.55Å; I317-M354 HydrophobicContact CD1-CB 3.83Å; I317-V356 HydrophobicContact CD1-CB 4.02Å; I317-V356 HydrophobicContact CD1-CG1 3.64Å; I317-V356 HydrophobicContact CG1-CG1 3.94Å; I317-V356 HydrophobicContact CG2-CB 4.21Å; I317-V356 HydrophobicContact CG2-CG1 4.4Å; I317-V367 HydrophobicContact CG2-CG1 4.2Å |
| 318 | S | 89.8 | Confident | 89.4 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 157.1 | 178.2 | 96.2 | 0 | 0 | 0 | 0 | 114.4 | N297 F320 G321 E322 M354 | N297-S318 CarbonylContact O-C 3.58Å; N297-S318 WeakPolarHBondContact O-CA 3.34Å; S318-F320 PolarHBondContact O-N 2.83Å; S318-F320 VanDerWaalsContact O-N 3.15Å; S318-F320 PolarHBondContact OG-N 3.33Å; S318-F320 VanDerWaalsContact OG-N 3.15Å; S318-G321 PolarHBondContact O-N 3.36Å; S318-E322 VanDerWaalsContact CB-OE2 3.28Å; S318-E322 WeakPolarHBondContact CB-OE2 3.17Å; S318-E322 PolarHBondContact N-O 3.42Å; S318-E322 WeakPolarHBondContact OG-CB 3.31Å; S318-E322 PolarHBondContact OG-N 2.83Å; S318-E322 PolarHBondContact OG-OE2 3.24Å; S318-M354 VanDerWaalsContact O-CG 3.22Å; S318-M354 WeakPolarHBondContact O-CG 3.46Å |
| 319 | N | 84.4 | Confident | 89.6 | Confident | 15 Ų | 15 | 20.1 Ų | 20.1 | 8% | 0.08 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -9.5 | 174.6 | 78.3 | -35.8 | 0 | 0 | 0 | 114.5 | G296 N297 Q299 S350 R352 | G296-N319 WeakPolarHBondContact CA-OD1 3.45Å; N297-N319 PolarHBondContact N-OD1 2.99Å; N297-N319 WeakPolarHBondContact O-CB 3.48Å; N297-N319 PolarHBondContact O-N 3.19Å; N297-N319 PolarHBondContact O-OD1 2.94Å; Q299-N319 HydrophobicContact CG-CB 4.03Å; N319-S350 PolarHBondContact ND2-O 3.06Å; N319-R352 WeakPolarHBondContact O-CB 3.41Å |
| 320 | F | 84 | Confident | 89.8 | Confident | 58 Ų | 58 | 17.4 Ų | 17.4 | 25% | 0.254 | 9% | 0.085 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -15 | 172.1 | -67.2 | -9.7 | 0 | 0 | 0 | 111.9 | A295 G296 S318 T345 R352 | A295-F320 HydrophobicContact CB-CD2 4.28Å; A295-F320 HydrophobicContact CB-CE2 4.42Å; A295-F320 WeakPolarHBondContact O-CE2 3.33Å; G296-F320 VanDerWaalsContact N-CD2 3.35Å; S318-F320 PolarHBondContact O-N 2.83Å; S318-F320 VanDerWaalsContact O-N 3.15Å; S318-F320 PolarHBondContact OG-N 3.33Å; S318-F320 VanDerWaalsContact OG-N 3.15Å; F320-T345 PolarHBondContact O-OG1 2.89Å; F320-R352 PolarHBondContact O-NH1 2.98Å |
| 321 | G | 82.5 | Confident | 89.8 | Confident | 2 Ų | 2 | 19.7 Ų | 19.7 | 2% | 0.021 | 9% | 0.093 | C | C | . | . | S | Bend | trans | 99.1 | 20.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S318 L344 | S318-G321 PolarHBondContact O-N 3.36Å; G321-L344 WeakPolarHBondContact O-CB 3.48Å; G321-L344 WeakPolarHBondContact O-CG 3.44Å; G321-L344 PolarHBondContact O-N 2.97Å |
| 322 | E | 88.1 | Confident | 89.8 | Confident | 13 Ų | 13 | 25.6 Ų | 25.6 | 6% | 0.061 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 142.8 | 171.6 | -56.8 | 158.7 | 107 | 0 | 0 | 109.7 | A295 G296 I317 S318 K341 | A295-E322 WeakPolarHBondContact CB-OE1 3.27Å; A295-E322 VanDerWaalsContact N-CD 3.34Å; A295-E322 PolarHBondContact N-OE1 2.76Å; A295-E322 PolarHBondContact N-OE2 3.1Å; A295-E322 VanDerWaalsContact N-OE2 3.09Å; G296-E322 PolarHBondContact N-OE2 2.99Å; I317-E322 WeakPolarHBondContact CA-O 3.38Å; S318-E322 VanDerWaalsContact CB-OE2 3.28Å; S318-E322 WeakPolarHBondContact CB-OE2 3.17Å; S318-E322 PolarHBondContact N-O 3.42Å; S318-E322 WeakPolarHBondContact OG-CB 3.31Å; S318-E322 PolarHBondContact OG-N 2.83Å; S318-E322 PolarHBondContact OG-OE2 3.24Å; E322-K341 VanDerWaalsContact OE1-CE 3.31Å; E322-K341 WeakPolarHBondContact OE1-CE 3.22Å; E322-K341 IonicContact OE1-NZ 3.94Å; E322-K341 PolarHBondContact OE1-NZ 3.18Å |
| 323 | L | 91.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 125.4 | 173 | 172.2 | 71.3 | 0 | 0 | 0 | 108.4 | C315 S316 I317 F325 K341 F342 L344 V367 F377 | C315-L323 WeakPolarHBondContact SG-CD1 3.3Å; S316-L323 WeakPolarHBondContact O-CA 3.45Å; I317-L323 HydrophobicContact CG2-CD1 3.55Å; L323-F325 HydrophobicContact CD1-CE2 4.42Å; L323-F325 HydrophobicContact CD2-CE2 3.57Å; L323-F325 HydrophobicContact CD2-CZ 4.02Å; L323-F325 HydrophobicContact CG-CD2 4.37Å; L323-F325 HydrophobicContact CG-CE2 3.86Å; L323-F325 HydrophobicContact CG-CZ 4.46Å; L323-K341 CarbonylContact O-C 3.57Å; L323-K341 WeakPolarHBondContact O-CA 3.34Å; L323-F342 HydrophobicContact CB-CB 4.35Å; L323-F342 HydrophobicContact CD2-CB 4.44Å; L323-F342 HydrophobicContact CD2-CD2 4.41Å; L323-F342 PolarHBondContact N-O 2.8Å; L323-F342 PolarHBondContact O-N 3.04Å; L323-L344 HydrophobicContact CB-CD1 4.09Å; L323-L344 HydrophobicContact CB-CG 4.34Å; L323-V367 HydrophobicContact CD1-CG2 3.94Å; L323-V367 HydrophobicContact CD2-CG2 3.87Å; L323-F377 HydrophobicContact CD2-CD2 3.63Å; L323-F377 HydrophobicContact CD2-CE1 4.23Å; L323-F377 HydrophobicContact CD2-CE2 3.18Å; L323-F377 HydrophobicContact CD2-CG 4.32Å; L323-F377 HydrophobicContact CD2-CZ 3.53Å |
| 324 | C | 94.3 | Very high | 89.4 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.007 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 126.5 | 177.2 | -66 | 0 | 0 | 0 | 0 | 110.6 | H294 S316 W326 A339 Y340 | H294-C324 PolarHBondContact CE1-SG 3.08Å; H294-C324 WeakPolarHBondContact NE2-CB 3.5Å; S316-C324 PolarHBondContact N-O 3.47Å; S316-C324 PolarHBondContact O-N 3.41Å; S316-C324 PolarHBondContact OG-O 3.38Å; C324-W326 HydrophobicContact CB-CZ2 4.12Å; C324-A339 HydrophobicContact CB-CB 3.87Å; C324-Y340 WeakPolarHBondContact CA-O 3.4Å |
| 325 | F | 95 | Very high | 89.3 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 125.2 | 165.7 | -57.8 | -102 | 0 | 0 | 0 | 109.5 | F313 L314 C315 L323 A339 Y340 F342 V365 F377 L379 P384 | F313-F325 HydrophobicContact CD1-CB 4.1Å; L314-F325 CarbonylContact O-C 3.59Å; L314-F325 WeakPolarHBondContact O-CA 3.19Å; C315-F325 HydrophobicContact CB-CD1 4.22Å; C315-F325 HydrophobicContact CB-CE1 4.4Å; L323-F325 HydrophobicContact CD1-CE2 4.42Å; L323-F325 HydrophobicContact CD2-CE2 3.57Å; L323-F325 HydrophobicContact CD2-CZ 4.02Å; L323-F325 HydrophobicContact CG-CD2 4.37Å; L323-F325 HydrophobicContact CG-CE2 3.86Å; L323-F325 HydrophobicContact CG-CZ 4.46Å; F325-A339 CarbonylContact O-C 3.59Å; F325-A339 WeakPolarHBondContact O-CA 3.36Å; F325-A339 WeakPolarHBondContact O-CB 3.25Å; F325-Y340 PolarHBondContact N-O 2.87Å; F325-Y340 PolarHBondContact O-N 3.28Å; F325-F342 AromaticContact CD2-CD2 3.97Å; F325-F342 HydrophobicContact CD2-CD2 3.97Å; F325-F342 AromaticContact CD2-CE2 3.75Å; F325-F342 HydrophobicContact CD2-CE2 3.75Å; F325-F342 AromaticContact CE2-CD2 3.88Å; F325-F342 HydrophobicContact CE2-CD2 3.88Å; F325-F342 AromaticContact CE2-CE2 3.81Å; F325-F342 HydrophobicContact CE2-CE2 3.81Å; F325-V365 HydrophobicContact CE1-CB 4.14Å; F325-V365 HydrophobicContact CE1-CG1 4.39Å; F325-V365 HydrophobicContact CE1-CG2 3.95Å; F325-V365 HydrophobicContact CZ-CB 4.23Å; F325-V365 HydrophobicContact CZ-CG1 4.37Å; F325-F377 HydrophobicContact CE2-CD1 4.27Å; F325-F377 HydrophobicContact CE2-CG 4.24Å; F325-F377 HydrophobicContact CZ-CB 3.96Å; F325-F377 HydrophobicContact CZ-CD1 4.49Å; F325-F377 HydrophobicContact CZ-CD2 4.43Å; F325-F377 HydrophobicContact CZ-CG 4.04Å; F325-L379 HydrophobicContact CD1-CD2 4.25Å; F325-L379 HydrophobicContact CE1-CD1 4.41Å; F325-L379 HydrophobicContact CE1-CD2 4.21Å; F325-P384 HydrophobicContact CB-CB 4.46Å; F325-P384 HydrophobicContact CB-CG 3.75Å; F325-P384 HydrophobicContact CD1-CB 4.29Å; F325-P384 HydrophobicContact CD1-CG 4.14Å; F325-P384 HydrophobicContact CD2-CB 3.74Å; F325-P384 HydrophobicContact CD2-CG 3.98Å; F325-P384 HydrophobicContact CE1-CB 4.44Å; F325-P384 HydrophobicContact CE2-CB 3.91Å; F325-P384 HydrophobicContact CG-CB 3.94Å; F325-P384 HydrophobicContact CG-CG 3.72Å; F325-P384 HydrophobicContact CZ-CB 4.27Å |
| 326 | W | 94.5 | Very high | 89.1 | Confident | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.015 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 122.9 | 174.5 | -47.5 | 86.3 | 0 | 0 | 0 | 107.8 | L291 V292 F313 L314 S316 C324 F335 A339 | L291-W326 HydrophobicContact CB-CD2 3.86Å; L291-W326 HydrophobicContact CB-CE3 3.85Å; L291-W326 HydrophobicContact CB-CH2 4Å; L291-W326 HydrophobicContact CB-CZ2 3.97Å; L291-W326 HydrophobicContact CB-CZ3 3.93Å; L291-W326 HydrophobicContact CD1-CB 4.14Å; L291-W326 HydrophobicContact CD1-CD2 3.91Å; L291-W326 HydrophobicContact CD1-CE3 4.36Å; L291-W326 HydrophobicContact CD1-CG 3.78Å; L291-W326 HydrophobicContact CD2-CD2 4.41Å; L291-W326 HydrophobicContact CD2-CE3 4.02Å; L291-W326 HydrophobicContact CG-CD2 4.28Å; L291-W326 HydrophobicContact CG-CE3 4.29Å; V292-W326 WeakPolarHBondContact O-CH2 3.46Å; F313-W326 CarbonylContact C-O 3.56Å; F313-W326 WeakPolarHBondContact CA-O 3.36Å; L314-W326 HydrophobicContact CB-CB 4.26Å; L314-W326 PolarHBondContact N-O 2.82Å; L314-W326 PolarHBondContact O-N 3.05Å; S316-W326 PolarHBondContact OG-NE1 2.6Å; C324-W326 HydrophobicContact CB-CZ2 4.12Å; W326-F335 HydrophobicContact CB-CD1 3.53Å; W326-F335 HydrophobicContact CB-CE1 4.1Å; W326-F335 HydrophobicContact CB-CG 4.26Å; W326-A339 HydrophobicContact CD2-CB 3.79Å; W326-A339 HydrophobicContact CE3-CB 3.7Å; W326-A339 HydrophobicContact CG-CB 4.47Å; W326-A339 HydrophobicContact CH2-CB 3.86Å; W326-A339 HydrophobicContact CZ2-CB 3.99Å; W326-A339 HydrophobicContact CZ3-CB 3.74Å |
| 327 | K | 93.8 | Very high | 88.7 | Confident | 36 Ų | 36 | 41.4 Ų | 41.4 | 16% | 0.157 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 134.5 | 177.9 | -178 | 163.5 | 177.9 | 153.9 | 0 | 109.9 | N310 N311 F313 F335 D336 Y340 | N310-K327 WeakPolarHBondContact O-CE 3.23Å; N310-K327 PolarHBondContact O-NZ 2.95Å; N311-K327 PolarHBondContact OD1-NZ 2.88Å; F313-K327 HydrophobicContact CD1-CB 4.04Å; F313-K327 HydrophobicContact CE1-CB 3.74Å; F313-K327 HydrophobicContact CE1-CD 4.15Å; F313-K327 HydrophobicContact CE1-CG 4.07Å; F313-K327 HydrophobicContact CZ-CD 4.12Å; F313-K327 HydrophobicContact CZ-CG 4.38Å; K327-F335 CarbonylContact O-C 3.52Å; K327-F335 VanDerWaalsContact O-CA 3.27Å; K327-F335 WeakPolarHBondContact O-CA 3.48Å; K327-F335 WeakPolarHBondContact O-CD1 3.23Å; K327-D336 HydrophobicContact CB-CB 4.36Å; K327-D336 PolarHBondContact O-N 3Å; K327-Y340 HydrophobicContact CB-CE2 4.34Å |
| 328 | W | 93.4 | Very high | 88.6 | Confident | 12 Ų | 12 | 46.8 Ų | 46.8 | 5% | 0.045 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 136.2 | 173.8 | 177.6 | -101.8 | 0 | 0 | 0 | 110.7 | L268 I288 R312 Q333 F335 | L268-W328 HydrophobicContact CD1-CD2 3.99Å; L268-W328 HydrophobicContact CD1-CE3 3.98Å; L268-W328 HydrophobicContact CD1-CH2 3.85Å; L268-W328 HydrophobicContact CD1-CZ2 3.89Å; L268-W328 HydrophobicContact CD1-CZ3 3.91Å; L268-W328 HydrophobicContact CD2-CH2 3.74Å; L268-W328 HydrophobicContact CD2-CZ2 4.16Å; L268-W328 HydrophobicContact CD2-CZ3 4.3Å; L268-W328 HydrophobicContact CG-CH2 4.45Å; I288-W328 HydrophobicContact CG2-CH2 4.28Å; I288-W328 HydrophobicContact CG2-CZ3 4.39Å; R312-W328 HydrophobicContact CB-CB 4.17Å; R312-W328 HydrophobicContact CG-CB 4.43Å; R312-W328 PolarHBondContact O-N 3.25Å; W328-Q333 HydrophobicContact CH2-CB 4.37Å; W328-Q333 WeakPolarHBondContact CH2-O 3.4Å; W328-Q333 HydrophobicContact CZ2-CB 4.29Å; W328-F335 HydrophobicContact CB-CD1 4.31Å; W328-F335 HydrophobicContact CB-CE1 4.01Å; W328-F335 HydrophobicContact CB-CZ 4.44Å; W328-F335 HydrophobicContact CE3-CD1 4.36Å; W328-F335 AromaticContact CE3-CD2 3.58Å; W328-F335 HydrophobicContact CE3-CD2 3.58Å; W328-F335 HydrophobicContact CE3-CE1 4.2Å; W328-F335 AromaticContact CE3-CE2 3.36Å; W328-F335 HydrophobicContact CE3-CE2 3.36Å; W328-F335 HydrophobicContact CE3-CG 4.07Å; W328-F335 AromaticContact CE3-CZ 3.71Å; W328-F335 HydrophobicContact CE3-CZ 3.71Å; W328-F335 AromaticContact CZ3-CD2 3.85Å; W328-F335 HydrophobicContact CZ3-CD2 3.85Å; W328-F335 AromaticContact CZ3-CE2 3.64Å; W328-F335 HydrophobicContact CZ3-CE2 3.64Å; W328-F335 HydrophobicContact CZ3-CZ 4.37Å |
| 329 | Q | 88.7 | Confident | 88.7 | Confident | 36 Ų | 36 | 47.7 Ų | 47.7 | 17% | 0.168 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 100.4 | 174 | -68 | -175.1 | -6 | 0 | 0 | 109.6 | E331 R332 Q333 H334 D336 | Q329-E331 VanDerWaalsContact C-N 3.26Å; Q329-E331 PolarHBondContact O-N 3.17Å; Q329-R332 HydrophobicContact CB-CB 4.17Å; Q329-R332 HydrophobicContact CB-CG 4.38Å; Q329-R332 CarbonylContact O-C 3.59Å; Q329-R332 PolarHBondContact O-N 2.87Å; Q329-R332 VanDerWaalsContact OE1-CD 3.24Å; Q329-Q333 PolarHBondContact O-N 2.74Å; Q329-H334 PolarHBondContact N-O 2.91Å; Q329-D336 PolarHBondContact NE2-OD1 2.86Å; Q329-D336 PolarHBondContact NE2-OD2 3.08Å |
| 330 | P | 83.7 | Confident | 89.1 | Confident | 20 Ų | 20 | 50.8 Ų | 50.8 | 13% | 0.13 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -26.1 | -173.4 | 27.7 | -34.8 | 0 | 0 | 0 | 113.5 | R312 R332 Q333 | R312-P330 VanDerWaalsContact NH2-CB 3.32Å; P330-R332 VanDerWaalsContact C-N 3.27Å; P330-R332 PolarHBondContact O-N 2.95Å; P330-Q333 PolarHBondContact O-NE2 2.62Å |
| 331 | E | 82.5 | Confident | 89.5 | Confident | 141 Ų | 141 | 52.3 Ų | 52.3 | 66% | 0.659 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -25.2 | 175.2 | -49 | 75.9 | -168.6 | 0 | 0 | 112.1 | Q329 | Q329-E331 VanDerWaalsContact C-N 3.26Å; Q329-E331 PolarHBondContact O-N 3.17Å |
| 332 | R | 84.4 | Confident | 89.9 | Confident | 167 Ų | 167 | 54.7 Ų | 54.7 | 63% | 0.63 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | -13.3 | -179 | -58.3 | -163.4 | -175 | 148.3 | -7.7 | 113.9 | Q329 P330 H334 | Q329-R332 HydrophobicContact CB-CB 4.17Å; Q329-R332 HydrophobicContact CB-CG 4.38Å; Q329-R332 CarbonylContact O-C 3.59Å; Q329-R332 PolarHBondContact O-N 2.87Å; Q329-R332 VanDerWaalsContact OE1-CD 3.24Å; P330-R332 VanDerWaalsContact C-N 3.27Å; P330-R332 PolarHBondContact O-N 2.95Å; R332-H334 PolarHBondContact O-N 2.75Å |
| 333 | Q | 85.7 | Confident | 89.9 | Confident | 102 Ų | 102 | 59.6 Ų | 59.6 | 48% | 0.477 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 31.2 | -175 | -62 | -70.6 | -53.4 | 0 | 0 | 113.5 | I288 W328 Q329 P330 | I288-Q333 VanDerWaalsContact CG2-O 3.23Å; I288-Q333 WeakPolarHBondContact CG2-O 3.33Å; W328-Q333 HydrophobicContact CH2-CB 4.37Å; W328-Q333 WeakPolarHBondContact CH2-O 3.4Å; W328-Q333 HydrophobicContact CZ2-CB 4.29Å; Q329-Q333 PolarHBondContact O-N 2.74Å; P330-Q333 PolarHBondContact O-NE2 2.62Å |
| 334 | H | 89.1 | Confident | 89.5 | Confident | 95 Ų | 95 | 60.7 Ų | 60.7 | 44% | 0.44 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 162.5 | -178.2 | -69.8 | -16.1 | 0 | 0 | 0 | 110.1 | Q329 R332 | Q329-H334 PolarHBondContact N-O 2.91Å; R332-H334 PolarHBondContact O-N 2.75Å |
| 335 | F | 91.8 | Very high | 88.3 | Confident | 11 Ų | 11 | 62 Ų | 62 | 5% | 0.048 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 158.6 | 169.4 | -73.5 | -91.4 | 0 | 0 | 0 | 111.9 | V279 D289 L291 F303 L314 W326 K327 W328 | V279-F335 HydrophobicContact CB-CE2 4.25Å; V279-F335 HydrophobicContact CG1-CE2 4.11Å; V279-F335 HydrophobicContact CG2-CD2 4.34Å; V279-F335 HydrophobicContact CG2-CE2 3.76Å; V279-F335 HydrophobicContact CG2-CZ 4.48Å; D289-F335 HydrophobicContact CB-CD2 4.31Å; D289-F335 WeakPolarHBondContact OD2-CB 3.28Å; D289-F335 PolarHBondContact OD2-N 3.18Å; L291-F335 HydrophobicContact CD1-CD2 4.13Å; L291-F335 HydrophobicContact CD1-CE2 4.43Å; L291-F335 HydrophobicContact CD1-CG 4.19Å; L291-F335 HydrophobicContact CD2-CB 3.66Å; L291-F335 HydrophobicContact CD2-CD2 3.98Å; L291-F335 HydrophobicContact CD2-CG 3.92Å; F303-F335 HydrophobicContact CE1-CZ 4.35Å; L314-F335 HydrophobicContact CB-CE1 3.68Å; L314-F335 HydrophobicContact CB-CZ 4.04Å; W326-F335 HydrophobicContact CB-CD1 3.53Å; W326-F335 HydrophobicContact CB-CE1 4.1Å; W326-F335 HydrophobicContact CB-CG 4.26Å; K327-F335 CarbonylContact O-C 3.52Å; K327-F335 VanDerWaalsContact O-CA 3.27Å; K327-F335 WeakPolarHBondContact O-CA 3.48Å; K327-F335 WeakPolarHBondContact O-CD1 3.23Å; W328-F335 HydrophobicContact CB-CD1 4.31Å; W328-F335 HydrophobicContact CB-CE1 4.01Å; W328-F335 HydrophobicContact CB-CZ 4.44Å; W328-F335 HydrophobicContact CE3-CD1 4.36Å; W328-F335 AromaticContact CE3-CD2 3.58Å; W328-F335 HydrophobicContact CE3-CD2 3.58Å; W328-F335 HydrophobicContact CE3-CE1 4.2Å; W328-F335 AromaticContact CE3-CE2 3.36Å; W328-F335 HydrophobicContact CE3-CE2 3.36Å; W328-F335 HydrophobicContact CE3-CG 4.07Å; W328-F335 AromaticContact CE3-CZ 3.71Å; W328-F335 HydrophobicContact CE3-CZ 3.71Å; W328-F335 AromaticContact CZ3-CD2 3.85Å; W328-F335 HydrophobicContact CZ3-CD2 3.85Å; W328-F335 AromaticContact CZ3-CE2 3.64Å; W328-F335 HydrophobicContact CZ3-CE2 3.64Å; W328-F335 HydrophobicContact CZ3-CZ 4.37Å |
| 336 | D | 89.9 | Confident | 86.6 | Confident | 38 Ų | 38 | 68.7 Ų | 68.7 | 20% | 0.203 | 35% | 0.35 | C | S | . | . | trans | -61.1 | 129.1 | 164.7 | -94.3 | -59.4 | 0 | 0 | 0 | 110.2 | K327 Q329 V338 | K327-D336 HydrophobicContact CB-CB 4.36Å; K327-D336 PolarHBondContact O-N 3Å; Q329-D336 PolarHBondContact NE2-OD1 2.86Å; Q329-D336 PolarHBondContact NE2-OD2 3.08Å; D336-V338 PolarHBondContact O-N 3.48Å | ||
| 337 | P | 84.1 | Confident | 84.7 | Confident | 116 Ų | 116 | 71.6 Ų | 71.6 | 75% | 0.753 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -70.2 | -5.5 | -176.5 | 29.3 | -36.4 | 0 | 0 | 0 | 113.4 | ||
| 338 | V | 88.5 | Confident | 82.8 | Confident | 115 Ų | 115 | 79.1 Ų | 79.1 | 70% | 0.697 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -120.7 | 109.6 | 176.7 | -178.1 | 0 | 0 | 0 | 0 | 108.6 | D336 | D336-V338 PolarHBondContact O-N 3.48Š|
| 339 | A | 92.1 | Very high | 81 | Confident | 20 Ų | 20 | 80.7 Ų | 80.7 | 17% | 0.165 | 42% | 0.417 | C | S | . | . | trans | -71.6 | 147.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | C324 F325 W326 K341 | C324-A339 HydrophobicContact CB-CB 3.87Å; F325-A339 CarbonylContact O-C 3.59Å; F325-A339 WeakPolarHBondContact O-CA 3.36Å; F325-A339 WeakPolarHBondContact O-CB 3.25Å; W326-A339 HydrophobicContact CD2-CB 3.79Å; W326-A339 HydrophobicContact CE3-CB 3.7Å; W326-A339 HydrophobicContact CG-CB 4.47Å; W326-A339 HydrophobicContact CH2-CB 3.86Å; W326-A339 HydrophobicContact CZ2-CB 3.99Å; W326-A339 HydrophobicContact CZ3-CB 3.74Å; A339-K341 PolarHBondContact O-N 2.87Å | ||
| 340 | Y | 93.5 | Very high | 79.4 | Confident | 79 Ų | 79 | 83.5 Ų | 83.5 | 31% | 0.31 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 98.5 | 161.9 | -57.1 | -88.9 | 0 | 0 | 0 | 108.4 | F313 C324 F325 K327 V383 P384 | F313-Y340 HydrophobicContact CE1-CD2 4.17Å; F313-Y340 AromaticContact CE1-CE2 3.97Å; F313-Y340 HydrophobicContact CE1-CE2 3.97Å; C324-Y340 WeakPolarHBondContact CA-O 3.4Å; F325-Y340 PolarHBondContact N-O 2.87Å; F325-Y340 PolarHBondContact O-N 3.28Å; K327-Y340 HydrophobicContact CB-CE2 4.34Å; Y340-V383 HydrophobicContact CD1-CG1 4.27Å; Y340-V383 HydrophobicContact CE1-CG1 3.8Å; Y340-P384 HydrophobicContact CD2-CG 3.84Å; Y340-P384 HydrophobicContact CE2-CG 4.48Å; Y340-P384 HydrophobicContact CG-CG 3.89Å |
| 341 | K | 92.2 | Very high | 78.3 | Confident | 90 Ų | 90 | 85.5 Ų | 85.5 | 39% | 0.391 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 134.9 | -176.8 | -176.2 | 168.7 | -174.8 | 169.8 | 0 | 112 | G293 E322 L323 A339 D343 | G293-K341 PolarHBondContact O-NZ 2.86Å; E322-K341 VanDerWaalsContact OE1-CE 3.31Å; E322-K341 WeakPolarHBondContact OE1-CE 3.22Å; E322-K341 IonicContact OE1-NZ 3.94Å; E322-K341 PolarHBondContact OE1-NZ 3.18Å; L323-K341 CarbonylContact O-C 3.57Å; L323-K341 WeakPolarHBondContact O-CA 3.34Å; A339-K341 PolarHBondContact O-N 2.87Å; K341-D343 WeakPolarHBondContact CE-OD1 3.43Å |
| 342 | F | 91.4 | Very high | 77.8 | Confident | 53 Ų | 53 | 79.5 Ų | 79.5 | 23% | 0.232 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 121.5 | 177 | -58.5 | -86.6 | 0 | 0 | 0 | 110.4 | L323 F325 F377 P384 | L323-F342 HydrophobicContact CB-CB 4.35Å; L323-F342 HydrophobicContact CD2-CB 4.44Å; L323-F342 HydrophobicContact CD2-CD2 4.41Å; L323-F342 PolarHBondContact N-O 2.8Å; L323-F342 PolarHBondContact O-N 3.04Å; F325-F342 AromaticContact CD2-CD2 3.97Å; F325-F342 HydrophobicContact CD2-CD2 3.97Å; F325-F342 AromaticContact CD2-CE2 3.75Å; F325-F342 HydrophobicContact CD2-CE2 3.75Å; F325-F342 AromaticContact CE2-CD2 3.88Å; F325-F342 HydrophobicContact CE2-CD2 3.88Å; F325-F342 AromaticContact CE2-CE2 3.81Å; F325-F342 HydrophobicContact CE2-CE2 3.81Å; F342-F377 HydrophobicContact CB-CE1 4.14Å; F342-F377 HydrophobicContact CB-CZ 4Å; F342-F377 AromaticContact CD1-CE1 3.65Å; F342-F377 HydrophobicContact CD1-CE1 3.65Å; F342-F377 HydrophobicContact CD1-CZ 4.31Å; F342-F377 HydrophobicContact CD2-CD1 4.47Å; F342-F377 AromaticContact CD2-CE1 3.88Å; F342-F377 HydrophobicContact CD2-CE1 3.88Å; F342-F377 HydrophobicContact CD2-CZ 4.4Å; F342-F377 AromaticContact CE1-CE1 3.96Å; F342-F377 HydrophobicContact CE1-CE1 3.96Å; F342-F377 HydrophobicContact CE2-CD1 4.42Å; F342-F377 HydrophobicContact CE2-CE1 4.19Å; F342-F377 AromaticContact CG-CE1 3.6Å; F342-F377 HydrophobicContact CG-CE1 3.6Å; F342-F377 AromaticContact CG-CZ 3.98Å; F342-F377 HydrophobicContact CG-CZ 3.98Å; F342-F377 HydrophobicContact CZ-CD1 4.46Å; F342-F377 HydrophobicContact CZ-CE1 4.22Å; F342-P384 HydrophobicContact CE2-CB 4.05Å; F342-P384 HydrophobicContact CZ-CB 4.28Å; F342-P384 WeakPolarHBondContact CZ-O 3.46Å |
| 343 | D | 87.6 | Confident | 77.3 | Confident | 115 Ų | 115 | 73.3 Ų | 73.3 | 62% | 0.615 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 112 | 176.4 | -65.5 | -26.4 | 0 | 0 | 0 | 109.9 | K341 T345 | K341-D343 WeakPolarHBondContact CE-OD1 3.43Å; D343-T345 VanDerWaalsContact C-N 3.32Å; D343-T345 PolarHBondContact O-N 3.19Å |
| 344 | L | 82.7 | Confident | 77.1 | Confident | 24 Ų | 24 | 69 Ų | 69 | 13% | 0.126 | 39% | 0.385 | C | S | . | . | trans | -85.9 | 1.9 | -171.1 | -54.9 | 173.8 | 0 | 0 | 0 | 113.9 | G321 L323 M354 V367 T375 F377 | G321-L344 WeakPolarHBondContact O-CB 3.48Å; G321-L344 WeakPolarHBondContact O-CG 3.44Å; G321-L344 PolarHBondContact O-N 2.97Å; L323-L344 HydrophobicContact CB-CD1 4.09Å; L323-L344 HydrophobicContact CB-CG 4.34Å; L344-M354 HydrophobicContact CD1-CE 3.79Å; L344-V367 HydrophobicContact CD1-CB 4.1Å; L344-V367 HydrophobicContact CD1-CG1 3.55Å; L344-T375 HydrophobicContact CD2-CG2 4.02Å; L344-F377 HydrophobicContact CD2-CE2 4.02Å; L344-F377 HydrophobicContact CD2-CZ 3.86Å | ||
| 345 | T | 70.6 | Confident | 76.7 | Confident | 28 Ų | 28 | 65.2 Ų | 65.2 | 17% | 0.172 | 37% | 0.369 | C | S | . | . | trans | -149.6 | 144.5 | -179.3 | 69.8 | 0 | 0 | 0 | 0 | 113.7 | F320 D343 S347 R352 C372 | F320-T345 PolarHBondContact O-OG1 2.89Å; D343-T345 VanDerWaalsContact C-N 3.32Å; D343-T345 PolarHBondContact O-N 3.19Å; T345-S347 VanDerWaalsContact C-N 3.31Å; T345-S347 PolarHBondContact O-N 3.5Å; T345-S347 PolarHBondContact OG1-O 3.47Å; T345-R352 PolarHBondContact OG1-NH1 3.19Å; T345-C372 HydrophobicContact CG2-CB 3.98Å; T345-C372 WeakPolarHBondContact CG2-SG 3.46Å | ||
| 346 | P | 57.7 | Low | 76.5 | Confident | 141 Ų | 141 | 66.1 Ų | 66.1 | 92% | 0.916 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -87.1 | 17.7 | 177.2 | 36.8 | -37.9 | 0 | 0 | 0 | 114.3 | ||
| 347 | S | 54.7 | Low | 76.5 | Confident | 64 Ų | 64 | 64.9 Ų | 64.9 | 45% | 0.448 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -150.4 | 138.2 | -177.7 | 64.4 | 0 | 0 | 0 | 0 | 113.5 | T345 S349 R352 | T345-S347 VanDerWaalsContact C-N 3.31Å; T345-S347 PolarHBondContact O-N 3.5Å; T345-S347 PolarHBondContact OG1-O 3.47Å; S347-S349 PolarHBondContact O-N 2.81Å; S347-R352 VanDerWaalsContact O-CZ 3.24Å; S347-R352 PolarHBondContact O-NH1 2.82Å; S347-R352 PolarHBondContact O-NH2 3.07Å; S347-R352 PolarHBondContact OG-NH2 3.48Å; S347-R352 VanDerWaalsContact OG-NH2 3.17Å |
| 348 | F | 54.7 | Low | 76.7 | Confident | 194 Ų | 194 | 59.6 Ų | 59.6 | 85% | 0.851 | 34% | 0.335 | S | S | * | . | trans | -83.6 | 91.7 | -179.3 | -61.9 | -80.2 | 0 | 0 | 0 | 111.4 | ||||
| 349 | S | 55.4 | Low | 76.8 | Confident | 46 Ų | 46 | 54.1 Ų | 54.1 | 32% | 0.322 | 30% | 0.301 | S | S | . | . | trans | -105.2 | 110.6 | 173.1 | -164.7 | 0 | 0 | 0 | 0 | 109.8 | S347 S351 | S347-S349 PolarHBondContact O-N 2.81Å; S349-S351 PolarHBondContact O-N 3.14Å | ||
| 350 | S | 55.1 | Low | 76.5 | Confident | 95 Ų | 95 | 55.2 Ų | 55.2 | 66% | 0.664 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -64.3 | -0.1 | -167.2 | 57.4 | 0 | 0 | 0 | 0 | 116.6 | N319 | N319-S350 PolarHBondContact ND2-O 3.06Š|
| 351 | S | 61 | Low | 76 | Confident | 62 Ų | 62 | 51.4 Ų | 51.4 | 43% | 0.434 | 29% | 0.291 | S | S | . | . | trans | -150 | 68.9 | -175.7 | -164.2 | 0 | 0 | 0 | 0 | 112 | S349 R845 | S349-S351 PolarHBondContact O-N 3.14Å; S351-R845 VanDerWaalsContact CB-NH2 3.32Å; S351-R845 PolarHBondContact O-NH1 2.94Å; S351-R845 PolarHBondContact O-NH2 2.88Å; S351-R845 PolarHBondContact OG-NH2 3.36Å | ||
| 352 | R | 71 | Confident | 75.8 | Confident | 14 Ų | 14 | 47.3 Ų | 47.3 | 5% | 0.053 | 27% | 0.274 | C | S | . | . | trans | -88.6 | 161.6 | 164.5 | -60.3 | -175.9 | 166.6 | 108 | 3.4 | 111.7 | Q299 N319 F320 T345 S347 M354 T370 | Q299-R352 PolarHBondContact NE2-O 3.17Å; N319-R352 WeakPolarHBondContact O-CB 3.41Å; F320-R352 PolarHBondContact O-NH1 2.98Å; T345-R352 PolarHBondContact OG1-NH1 3.19Å; S347-R352 VanDerWaalsContact O-CZ 3.24Å; S347-R352 PolarHBondContact O-NH1 2.82Å; S347-R352 PolarHBondContact O-NH2 3.07Å; S347-R352 PolarHBondContact OG-NH2 3.48Å; S347-R352 VanDerWaalsContact OG-NH2 3.17Å; R352-M354 HydrophobicContact CB-SD 4.4Å; R352-T370 VanDerWaalsContact CA-OG1 3.22Å; R352-T370 WeakPolarHBondContact CA-OG1 3.47Å; R352-T370 WeakPolarHBondContact CB-OG1 3.36Å | ||
| 353 | Q | 75.1 | Confident | 75.7 | Confident | 38 Ų | 38 | 45.7 Ų | 45.7 | 18% | 0.178 | 27% | 0.267 | C | S | . | . | trans | -113.5 | 122 | 160.5 | -177.4 | -168.4 | -52.2 | 0 | 0 | 107.3 | G369 T370 A841 | Q353-G369 CarbonylContact O-C 3.55Å; Q353-G369 WeakPolarHBondContact O-CA 3.49Å; Q353-T370 HydrophobicContact CB-CG2 3.95Å; Q353-T370 PolarHBondContact N-OG1 3.02Å; Q353-T370 PolarHBondContact O-N 2.66Å; Q353-A841 PolarHBondContact NE2-O 3.05Å | ||
| 354 | M | 80.5 | Confident | 75.9 | Confident | 12 Ų | 12 | 40.2 Ų | 40.2 | 6% | 0.059 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 163.4 | 176.2 | -59.3 | -57.3 | -64.9 | 0 | 0 | 110.6 | I317 S318 L344 R352 V367 C368 C372 | I317-M354 HydrophobicContact CD1-CB 3.83Å; S318-M354 VanDerWaalsContact O-CG 3.22Å; S318-M354 WeakPolarHBondContact O-CG 3.46Å; L344-M354 HydrophobicContact CD1-CE 3.79Å; R352-M354 HydrophobicContact CB-SD 4.4Å; M354-V367 HydrophobicContact CE-CG1 4.05Å; M354-C368 CarbonylContact C-O 3.58Å; M354-C368 WeakPolarHBondContact CA-O 3.38Å; M354-C372 HydrophobicContact CE-CB 4.39Å; M354-C372 PolarHBondContact SD-SG 2.83Å |
| 355 | S | 81.4 | Confident | 76.3 | Confident | 15 Ų | 15 | 39.1 Ų | 39.1 | 11% | 0.105 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 132 | 177.4 | 168 | 0 | 0 | 0 | 0 | 108.9 | V367 C368 V400 | S355-V367 WeakPolarHBondContact O-CA 3.37Å; S355-C368 PolarHBondContact N-O 2.58Å; S355-C368 PolarHBondContact O-N 3.46Å; S355-V400 PolarHBondContact OG-N 2.7Å |
| 356 | V | 88.2 | Confident | 77.3 | Confident | 30 Ų | 30 | 37.8 Ų | 37.8 | 18% | 0.182 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 146.1 | 179.5 | 60.8 | 0 | 0 | 0 | 0 | 110.3 | I317 V365 A366 V367 | I317-V356 HydrophobicContact CD1-CB 4.02Å; I317-V356 HydrophobicContact CD1-CG1 3.64Å; I317-V356 HydrophobicContact CG1-CG1 3.94Å; I317-V356 HydrophobicContact CG2-CB 4.21Å; I317-V356 HydrophobicContact CG2-CG1 4.4Å; V356-V365 HydrophobicContact CG2-CG1 3.54Å; V356-A366 WeakPolarHBondContact CA-O 3.46Å; V356-V367 HydrophobicContact CB-CG2 4.35Å; V356-V367 HydrophobicContact CG2-CG2 3.96Å |
| 357 | T | 88.3 | Confident | 78.7 | Confident | 11 Ų | 11 | 31.1 Ų | 31.1 | 7% | 0.067 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 143.4 | 176.2 | -169.8 | 0 | 0 | 0 | 0 | 108.9 | V365 A366 V400 W402 L409 | T357-V365 CarbonylContact O-C 3.5Å; T357-V365 WeakPolarHBondContact O-CA 3.28Å; T357-A366 HydrophobicContact CG2-CB 3.97Å; T357-A366 PolarHBondContact N-O 3.38Å; T357-A366 PolarHBondContact O-N 2.9Å; T357-V400 HydrophobicContact CG2-CB 4.41Å; T357-V400 HydrophobicContact CG2-CG1 3.89Å; T357-V400 HydrophobicContact CG2-CG2 4Å; T357-W402 HydrophobicContact CG2-CB 4.19Å; T357-W402 HydrophobicContact CG2-CE3 4.47Å; T357-W402 PolarHBondContact OG1-N 2.72Å; T357-L409 HydrophobicContact CG2-CD2 4.38Å |
| 358 | C | 89.9 | Confident | 80.2 | Confident | 6 Ų | 6 | 28 Ų | 28 | 4% | 0.041 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 163.8 | 173 | 75.3 | 0 | 0 | 0 | 0 | 110.8 | V304 P305 F364 V365 W402 L832 | V304-C358 HydrophobicContact CG1-CB 4.37Å; P305-C358 WeakPolarHBondContact CD-SG 3.47Å; C358-F364 CarbonylContact C-O 3.38Å; C358-F364 VanDerWaalsContact CA-O 3.27Å; C358-F364 WeakPolarHBondContact CA-O 3.38Å; C358-F364 WeakPolarHBondContact CB-O 3.37Å; C358-V365 HydrophobicContact CB-CG2 3.92Å; C358-W402 VanDerWaalsContact O-CB 3.27Å; C358-W402 WeakPolarHBondContact O-CB 3.46Å; C358-L832 HydrophobicContact CB-CD1 3.97Å; C358-L832 VanDerWaalsContact SG-CD1 3.5Å; C358-L832 VanDerWaalsContact SG-CD2 3.6Å |
| 359 | S | 90.7 | Very high | 81.2 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -72.1 | 158.7 | 165.9 | 72.2 | 0 | 0 | 0 | 0 | 111.1 | G361 G362 Q363 F364 W402 E714 | S359-G361 VanDerWaalsContact C-N 3.29Å; S359-G361 PolarHBondContact O-N 2.89Å; S359-G362 PolarHBondContact O-N 3.2Å; S359-G362 PolarHBondContact OG-N 2.84Å; S359-Q363 PolarHBondContact OG-N 2.84Å; S359-Q363 VanDerWaalsContact OG-N 3.15Å; S359-F364 PolarHBondContact N-O 3.08Å; S359-F364 PolarHBondContact OG-N 2.99Å; S359-W402 VanDerWaalsContact CB-CE2 3.48Å; S359-E714 WeakPolarHBondContact CB-OE2 3.47Å; S359-E714 PolarHBondContact OG-OE2 2.91Å | ||
| 360 | T | 84.9 | Confident | 81.9 | Confident | 42 Ų | 42 | 16.9 Ų | 16.9 | 26% | 0.258 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -21 | -176.2 | 39.3 | 0 | 0 | 0 | 0 | 112.9 | N404 Q710 E714 | T360-N404 WeakPolarHBondContact CG2-O 3.29Å; T360-N404 PolarHBondContact OG1-O 2.84Å; T360-Q710 WeakPolarHBondContact OG1-CG 3.48Å; T360-Q710 PolarHBondContact OG1-NE2 2.99Å; T360-E714 PolarHBondContact N-OE1 3.39Å; T360-E714 PolarHBondContact OG1-OE1 2.95Å |
| 361 | G | 82.5 | Confident | 82.5 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 5.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | S359 Q363 A711 E714 | S359-G361 VanDerWaalsContact C-N 3.29Å; S359-G361 PolarHBondContact O-N 2.89Å; G361-Q363 PolarHBondContact O-N 3.19Å; G361-Q363 PolarHBondContact O-NE2 2.69Å; G361-Q363 VanDerWaalsContact O-NE2 3.11Å; G361-A711 WeakPolarHBondContact O-CB 3.32Å; G361-E714 WeakPolarHBondContact CA-OE2 3.11Å; G361-E714 PolarHBondContact N-OE1 2.82Å; G361-E714 PolarHBondContact N-OE2 2.8Å |
| 362 | G | 88 | Confident | 83 | Confident | 3 Ų | 3 | 14.2 Ų | 14.2 | 3% | 0.031 | 8% | 0.079 | C | C | . | . | S | Bend | trans | 67.9 | -1.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | V304 P305 S359 F364 L379 | V304-G362 WeakPolarHBondContact CG1-O 3.44Å; P305-G362 WeakPolarHBondContact O-CA 3.45Å; S359-G362 PolarHBondContact O-N 3.2Å; S359-G362 PolarHBondContact OG-N 2.84Å; G362-F364 PolarHBondContact O-N 3.44Å; G362-L379 WeakPolarHBondContact O-CD1 3.49Å |
| 363 | Q | 89 | Confident | 83.4 | Confident | 19 Ų | 19 | 16 Ų | 16 | 9% | 0.089 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -68.8 | -21.2 | -174 | -61.5 | -53.1 | -61.1 | 0 | 0 | 113.8 | S359 G361 L379 A711 L715 | S359-Q363 PolarHBondContact OG-N 2.84Å; S359-Q363 VanDerWaalsContact OG-N 3.15Å; G361-Q363 PolarHBondContact O-N 3.19Å; G361-Q363 PolarHBondContact O-NE2 2.69Å; G361-Q363 VanDerWaalsContact O-NE2 3.11Å; Q363-L379 PolarHBondContact O-N 2.75Å; Q363-A711 HydrophobicContact CG-CB 3.77Å; Q363-L715 HydrophobicContact CG-CD1 4.36Å; Q363-L715 HydrophobicContact CG-CD2 4.28Å; Q363-L715 HydrophobicContact CG-CG 4.11Å |
| 364 | F | 91.7 | Very high | 84 | Confident | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 151.8 | -176.8 | -55.3 | -94 | 0 | 0 | 0 | 112.8 | C358 S359 G362 I376 F377 R380 Q387 W402 I407 E714 F718 | C358-F364 CarbonylContact C-O 3.38Å; C358-F364 VanDerWaalsContact CA-O 3.27Å; C358-F364 WeakPolarHBondContact CA-O 3.38Å; C358-F364 WeakPolarHBondContact CB-O 3.37Å; S359-F364 PolarHBondContact N-O 3.08Å; S359-F364 PolarHBondContact OG-N 2.99Å; G362-F364 PolarHBondContact O-N 3.44Å; F364-I376 HydrophobicContact CD1-CG2 4.28Å; F364-F377 VanDerWaalsContact CA-O 3.25Å; F364-F377 WeakPolarHBondContact CA-O 3.35Å; F364-R380 VanDerWaalsContact CZ-NH2 3.26Å; F364-Q387 HydrophobicContact CE1-CG 4.44Å; F364-W402 HydrophobicContact CB-CE3 4.44Å; F364-W402 HydrophobicContact CB-CH2 3.15Å; F364-W402 HydrophobicContact CB-CZ2 3.81Å; F364-W402 HydrophobicContact CB-CZ3 3.49Å; F364-W402 VanDerWaalsContact CB-CZ3 3.49Å; F364-W402 HydrophobicContact CD1-CH2 4.15Å; F364-W402 HydrophobicContact CD2-CH2 4.03Å; F364-W402 AromaticContact CD2-CZ2 3.91Å; F364-W402 HydrophobicContact CD2-CZ2 3.91Å; F364-W402 AromaticContact CG-CH2 3.57Å; F364-W402 HydrophobicContact CG-CH2 3.57Å; F364-W402 AromaticContact CG-CZ2 3.95Å; F364-W402 HydrophobicContact CG-CZ2 3.95Å; F364-W402 HydrophobicContact CG-CZ3 4.39Å; F364-I407 HydrophobicContact CE2-CD1 4.28Å; F364-I407 HydrophobicContact CZ-CD1 4.26Å; F364-E714 HydrophobicContact CE2-CB 4.27Å; F364-F718 AromaticContact CE1-CD2 3.83Å; F364-F718 HydrophobicContact CE1-CD2 3.83Å; F364-F718 AromaticContact CE1-CE2 3.88Å; F364-F718 HydrophobicContact CE1-CE2 3.88Å; F364-F718 HydrophobicContact CZ-CB 4.23Å; F364-F718 AromaticContact CZ-CD2 3.52Å; F364-F718 HydrophobicContact CZ-CD2 3.52Å; F364-F718 HydrophobicContact CZ-CE2 4.07Å; F364-F718 HydrophobicContact CZ-CG 4.05Å |
| 365 | V | 92.4 | Very high | 84.4 | Confident | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.006 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 119.9 | 168.7 | 176.4 | 0 | 0 | 0 | 0 | 109.6 | V304 F325 V356 T357 C358 V367 F377 L379 | V304-V365 HydrophobicContact CG1-CG2 4.45Å; V304-V365 HydrophobicContact CG2-CG2 4.07Å; F325-V365 HydrophobicContact CE1-CB 4.14Å; F325-V365 HydrophobicContact CE1-CG1 4.39Å; F325-V365 HydrophobicContact CE1-CG2 3.95Å; F325-V365 HydrophobicContact CZ-CB 4.23Å; F325-V365 HydrophobicContact CZ-CG1 4.37Å; V356-V365 HydrophobicContact CG2-CG1 3.54Å; T357-V365 CarbonylContact O-C 3.5Å; T357-V365 WeakPolarHBondContact O-CA 3.28Å; C358-V365 HydrophobicContact CB-CG2 3.92Å; V365-V367 HydrophobicContact CG1-CG2 4.2Å; V365-F377 PolarHBondContact N-O 3.1Å; V365-F377 PolarHBondContact O-N 2.89Å; V365-L379 HydrophobicContact CG2-CD1 3.98Å |
| 366 | A | 90.5 | Very high | 84.9 | Confident | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 133.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | V356 T357 T375 I376 V400 W402 L409 | V356-A366 WeakPolarHBondContact CA-O 3.46Å; T357-A366 HydrophobicContact CG2-CB 3.97Å; T357-A366 PolarHBondContact N-O 3.38Å; T357-A366 PolarHBondContact O-N 2.9Å; A366-T375 WeakPolarHBondContact CA-O 3.49Å; A366-I376 HydrophobicContact CB-CG1 4.21Å; A366-V400 HydrophobicContact CB-CG2 4.03Å; A366-W402 HydrophobicContact CB-CE3 3.96Å; A366-W402 HydrophobicContact CB-CZ3 3.76Å; A366-L409 HydrophobicContact CB-CD1 3.82Å; A366-L409 HydrophobicContact CB-CD2 3.81Å; A366-L409 HydrophobicContact CB-CG 4.5Å |
| 367 | V | 88.8 | Confident | 85.2 | Confident | 1 Ų | 1 | 11.7 Ų | 11.7 | 1% | 0.006 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 140.1 | 177.4 | -168.2 | 0 | 0 | 0 | 0 | 109 | I317 L323 L344 M354 S355 V356 V365 I374 T375 F377 | I317-V367 HydrophobicContact CG2-CG1 4.2Å; L323-V367 HydrophobicContact CD1-CG2 3.94Å; L323-V367 HydrophobicContact CD2-CG2 3.87Å; L344-V367 HydrophobicContact CD1-CB 4.1Å; L344-V367 HydrophobicContact CD1-CG1 3.55Å; M354-V367 HydrophobicContact CE-CG1 4.05Å; S355-V367 WeakPolarHBondContact O-CA 3.37Å; V356-V367 HydrophobicContact CB-CG2 4.35Å; V356-V367 HydrophobicContact CG2-CG2 3.96Å; V365-V367 HydrophobicContact CG1-CG2 4.2Å; V367-I374 WeakPolarHBondContact O-CA 3.2Å; V367-T375 PolarHBondContact N-O 3.02Å; V367-T375 PolarHBondContact O-N 2.98Å; V367-F377 HydrophobicContact CG2-CD2 4.45Å; V367-F377 HydrophobicContact CG2-CE2 4.41Å |
| 368 | C | 84.4 | Confident | 85.4 | Confident | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 170 | 165.9 | 78.1 | 0 | 0 | 0 | 0 | 110.2 | M354 S355 I374 C399 V400 | M354-C368 CarbonylContact C-O 3.58Å; M354-C368 WeakPolarHBondContact CA-O 3.38Å; S355-C368 PolarHBondContact N-O 2.58Å; S355-C368 PolarHBondContact O-N 3.46Å; C368-I374 HydrophobicContact CB-CB 4.5Å; C368-I374 HydrophobicContact CB-CG1 3.92Å; C368-C399 PolarHBondContact SG-N 3.48Å; C368-V400 HydrophobicContact CB-CB 4.3Å; C368-V400 HydrophobicContact CB-CG1 4.18Å |
| 369 | G | 76.4 | Confident | 85.5 | Confident | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170 | 171.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q353 D371 C372 K397 | Q353-G369 CarbonylContact O-C 3.55Å; Q353-G369 WeakPolarHBondContact O-CA 3.49Å; G369-D371 PolarHBondContact O-N 2.77Å; G369-C372 PolarHBondContact O-N 2.78Å; G369-K397 WeakPolarHBondContact O-CB 3.38Å |
| 370 | T | 69.7 | Low | 85.1 | Confident | 6 Ų | 6 | 14.9 Ų | 14.9 | 4% | 0.037 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -62.8 | 113 | -179 | 56.5 | 0 | 0 | 0 | 0 | 110.2 | R352 Q353 C372 | R352-T370 VanDerWaalsContact CA-OG1 3.22Å; R352-T370 WeakPolarHBondContact CA-OG1 3.47Å; R352-T370 WeakPolarHBondContact CB-OG1 3.36Å; Q353-T370 HydrophobicContact CB-CG2 3.95Å; Q353-T370 PolarHBondContact N-OG1 3.02Å; Q353-T370 PolarHBondContact O-N 2.66Å; T370-C372 PolarHBondContact O-N 3.36Å |
| 371 | D | 68.8 | Low | 84.9 | Confident | 97 Ų | 97 | 17.4 Ų | 17.4 | 52% | 0.519 | 9% | 0.09 | S | C | . | . | S | Bend | trans | 79.6 | -15.2 | 178.8 | -40.6 | -45.1 | 0 | 0 | 0 | 113.7 | G369 K397 K414 | G369-D371 PolarHBondContact O-N 2.77Å; D371-K397 PolarHBondContact O-NZ 2.86Å; D371-K397 VanDerWaalsContact O-NZ 3.1Å; D371-K414 VanDerWaalsContact CG-NZ 3.3Å; D371-K414 IonicContact OD1-NZ 3.84Å; D371-K414 PolarHBondContact OD1-NZ 2.9Å; D371-K414 IonicContact OD2-NZ 2.75Å; D371-K414 PolarHBondContact OD2-NZ 3.35Å |
| 372 | C | 71.5 | Confident | 84.9 | Confident | 3 Ų | 3 | 17.8 Ų | 17.8 | 2% | 0.02 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -70.7 | 157.1 | 167.9 | -36.3 | 0 | 0 | 0 | 0 | 112.2 | T345 M354 G369 T370 K397 | T345-C372 HydrophobicContact CG2-CB 3.98Å; T345-C372 WeakPolarHBondContact CG2-SG 3.46Å; M354-C372 HydrophobicContact CE-CB 4.39Å; M354-C372 PolarHBondContact SD-SG 2.83Å; G369-C372 PolarHBondContact O-N 2.78Å; T370-C372 PolarHBondContact O-N 3.36Å; C372-K397 WeakPolarHBondContact O-CD 3.41Å; C372-K397 WeakPolarHBondContact O-CE 3.36Å; C372-K397 WeakPolarHBondContact O-CG 3.43Å; C372-K397 PolarHBondContact O-NZ 2.87Å |
| 373 | E | 79 | Confident | 84.9 | Confident | 51 Ų | 51 | 20.7 Ų | 20.7 | 24% | 0.238 | 11% | 0.111 | C | C | . | . | trans | -74.5 | 168 | 176.2 | -48.7 | -120 | 117.9 | 0 | 0 | 111.5 | T375 S391 K397 | E373-T375 PolarHBondContact O-N 3.24Å; E373-S391 VanDerWaalsContact CD-CA 3.45Å; E373-S391 VanDerWaalsContact OE1-CA 3.27Å; E373-S391 WeakPolarHBondContact OE1-CA 3.18Å; E373-S391 WeakPolarHBondContact OE1-CB 3.3Å; E373-S391 WeakPolarHBondContact OE2-CA 3.17Å; E373-S391 WeakPolarHBondContact OE2-CB 3.25Å; E373-S391 PolarHBondContact OE2-N 2.93Å; E373-K397 IonicContact OE1-NZ 2.63Å; E373-K397 PolarHBondContact OE1-NZ 3.24Å | ||
| 374 | I | 86.5 | Confident | 85.1 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 108.5 | 161.6 | -56.3 | 173.9 | 0 | 0 | 0 | 105.5 | V367 C368 L390 L393 F396 L409 A411 L421 | V367-I374 WeakPolarHBondContact O-CA 3.2Å; C368-I374 HydrophobicContact CB-CB 4.5Å; C368-I374 HydrophobicContact CB-CG1 3.92Å; I374-L390 HydrophobicContact CB-CB 4.23Å; I374-L390 HydrophobicContact CB-CD1 4.47Å; I374-L390 HydrophobicContact CG2-CD1 4.3Å; I374-L390 PolarHBondContact O-N 2.78Å; I374-L393 HydrophobicContact CD1-CB 4.36Å; I374-L393 HydrophobicContact CD1-CD1 4.16Å; I374-F396 HydrophobicContact CD1-CB 4.46Å; I374-L409 HydrophobicContact CG2-CD1 4.49Å; I374-A411 HydrophobicContact CD1-CB 3.71Å; I374-L421 HydrophobicContact CD1-CD1 4.04Å |
| 375 | T | 90.1 | Very high | 85.2 | Confident | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.012 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 129.3 | -172.2 | -56.1 | 0 | 0 | 0 | 0 | 108.4 | L344 A366 V367 E373 F377 L386 Q389 | L344-T375 HydrophobicContact CD2-CG2 4.02Å; A366-T375 WeakPolarHBondContact CA-O 3.49Å; V367-T375 PolarHBondContact N-O 3.02Å; V367-T375 PolarHBondContact O-N 2.98Å; E373-T375 PolarHBondContact O-N 3.24Å; T375-F377 HydrophobicContact CG2-CD2 4.15Å; T375-F377 HydrophobicContact CG2-CE2 3.34Å; T375-F377 HydrophobicContact CG2-CZ 3.61Å; T375-L386 HydrophobicContact CG2-CD1 3.37Å; T375-Q389 HydrophobicContact CG2-CG 4.21Å |
| 376 | I | 92.4 | Very high | 85.2 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 126.1 | -176.3 | -53.9 | 177.4 | 0 | 0 | 0 | 108.3 | F364 A366 Q387 D388 L390 W402 L409 W428 | F364-I376 HydrophobicContact CD1-CG2 4.28Å; A366-I376 HydrophobicContact CB-CG1 4.21Å; I376-Q387 WeakPolarHBondContact O-CA 3.31Å; I376-Q387 WeakPolarHBondContact O-CB 3.36Å; I376-Q387 PolarHBondContact O-N 2.76Å; I376-D388 HydrophobicContact CB-CB 4.28Å; I376-D388 HydrophobicContact CD1-CB 4.49Å; I376-D388 PolarHBondContact N-O 3.02Å; I376-D388 PolarHBondContact O-N 3Å; I376-D388 VanDerWaalsContact O-N 3.15Å; I376-L390 HydrophobicContact CD1-CD1 4.11Å; I376-W402 HydrophobicContact CG2-CH2 4.24Å; I376-W402 HydrophobicContact CG2-CZ3 4.35Å; I376-L409 HydrophobicContact CD1-CD1 3.59Å; I376-L409 HydrophobicContact CG1-CD1 4.19Å; I376-W428 HydrophobicContact CD1-CD2 3.99Å; I376-W428 HydrophobicContact CD1-CE3 4.46Å; I376-W428 HydrophobicContact CD1-CH2 3.85Å; I376-W428 HydrophobicContact CD1-CZ2 3.33Å; I376-W428 HydrophobicContact CD1-CZ3 4.4Å; I376-W428 HydrophobicContact CG2-CZ2 4.48Å |
| 377 | F | 93.8 | Very high | 85.2 | Confident | 3 Ų | 3 | 29.5 Ų | 29.5 | 1% | 0.013 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 151.8 | 176.5 | -65.4 | -91.6 | 0 | 0 | 0 | 110.2 | L323 F325 F342 L344 F364 V365 V367 T375 F385 L386 | L323-F377 HydrophobicContact CD2-CD2 3.63Å; L323-F377 HydrophobicContact CD2-CE1 4.23Å; L323-F377 HydrophobicContact CD2-CE2 3.18Å; L323-F377 HydrophobicContact CD2-CG 4.32Å; L323-F377 HydrophobicContact CD2-CZ 3.53Å; F325-F377 HydrophobicContact CE2-CD1 4.27Å; F325-F377 HydrophobicContact CE2-CG 4.24Å; F325-F377 HydrophobicContact CZ-CB 3.96Å; F325-F377 HydrophobicContact CZ-CD1 4.49Å; F325-F377 HydrophobicContact CZ-CD2 4.43Å; F325-F377 HydrophobicContact CZ-CG 4.04Å; F342-F377 HydrophobicContact CB-CE1 4.14Å; F342-F377 HydrophobicContact CB-CZ 4Å; F342-F377 AromaticContact CD1-CE1 3.65Å; F342-F377 HydrophobicContact CD1-CE1 3.65Å; F342-F377 HydrophobicContact CD1-CZ 4.31Å; F342-F377 HydrophobicContact CD2-CD1 4.47Å; F342-F377 AromaticContact CD2-CE1 3.88Å; F342-F377 HydrophobicContact CD2-CE1 3.88Å; F342-F377 HydrophobicContact CD2-CZ 4.4Å; F342-F377 AromaticContact CE1-CE1 3.96Å; F342-F377 HydrophobicContact CE1-CE1 3.96Å; F342-F377 HydrophobicContact CE2-CD1 4.42Å; F342-F377 HydrophobicContact CE2-CE1 4.19Å; F342-F377 AromaticContact CG-CE1 3.6Å; F342-F377 HydrophobicContact CG-CE1 3.6Å; F342-F377 AromaticContact CG-CZ 3.98Å; F342-F377 HydrophobicContact CG-CZ 3.98Å; F342-F377 HydrophobicContact CZ-CD1 4.46Å; F342-F377 HydrophobicContact CZ-CE1 4.22Å; L344-F377 HydrophobicContact CD2-CE2 4.02Å; L344-F377 HydrophobicContact CD2-CZ 3.86Å; F364-F377 VanDerWaalsContact CA-O 3.25Å; F364-F377 WeakPolarHBondContact CA-O 3.35Å; V365-F377 PolarHBondContact N-O 3.1Å; V365-F377 PolarHBondContact O-N 2.89Å; V367-F377 HydrophobicContact CG2-CD2 4.45Å; V367-F377 HydrophobicContact CG2-CE2 4.41Å; T375-F377 HydrophobicContact CG2-CD2 4.15Å; T375-F377 HydrophobicContact CG2-CE2 3.34Å; T375-F377 HydrophobicContact CG2-CZ 3.61Å; F377-F385 CarbonylContact C-O 3.44Å; F377-F385 VanDerWaalsContact CA-O 3.24Å; F377-F385 WeakPolarHBondContact CA-O 3.49Å; F377-L386 HydrophobicContact CE1-CB 4.35Å; F377-L386 HydrophobicContact CE1-CD1 4.27Å; F377-L386 HydrophobicContact CZ-CD1 4.34Å |
| 378 | S | 92.9 | Very high | 85.2 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 142.2 | 176.9 | 175.6 | 0 | 0 | 0 | 0 | 109 | R380 F385 | S378-R380 WeakPolarHBondContact OG-CG 3.49Å; S378-F385 VanDerWaalsContact CB-CZ 3.46Å; S378-F385 PolarHBondContact N-O 3.35Å; S378-F385 WeakPolarHBondContact O-CD1 3.43Å; S378-F385 PolarHBondContact O-N 3.06Å; S378-F385 WeakPolarHBondContact OG-CE1 3.48Å; S378-F385 VanDerWaalsContact OG-CZ 3.28Å; S378-F385 WeakPolarHBondContact OG-CZ 3.4Å |
| 379 | L | 90.6 | Very high | 85.3 | Confident | 14 Ų | 14 | 36.6 Ų | 36.6 | 7% | 0.073 | 19% | 0.188 | C | C | . | . | trans | -115.9 | -0.6 | -175.8 | -70.6 | 164.3 | 0 | 0 | 0 | 113.3 | V304 F313 F325 G362 Q363 V365 T381 G382 P384 | V304-L379 HydrophobicContact CB-CD1 4.46Å; V304-L379 HydrophobicContact CG1-CD1 3.76Å; V304-L379 HydrophobicContact CG2-CD1 4.3Å; F313-L379 HydrophobicContact CD2-CD2 3.94Å; F313-L379 HydrophobicContact CE2-CD2 3.96Å; F313-L379 HydrophobicContact CG-CD2 4.34Å; F313-L379 HydrophobicContact CZ-CD2 4.36Å; F325-L379 HydrophobicContact CD1-CD2 4.25Å; F325-L379 HydrophobicContact CE1-CD1 4.41Å; F325-L379 HydrophobicContact CE1-CD2 4.21Å; G362-L379 WeakPolarHBondContact O-CD1 3.49Å; Q363-L379 PolarHBondContact O-N 2.75Å; V365-L379 HydrophobicContact CG2-CD1 3.98Å; L379-T381 PolarHBondContact O-N 3.45Å; L379-G382 PolarHBondContact O-N 2.84Å; L379-P384 HydrophobicContact CD2-CB 3.73Å; L379-P384 HydrophobicContact CD2-CG 3.62Å | ||
| 380 | R | 82.9 | Confident | 85.7 | Confident | 69 Ų | 69 | 37.5 Ų | 37.5 | 26% | 0.26 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -27.8 | -172.4 | -56.1 | -179.1 | -159.2 | -166.7 | 16.6 | 115.7 | F364 S378 G382 L715 D719 | F364-R380 VanDerWaalsContact CZ-NH2 3.26Å; S378-R380 WeakPolarHBondContact OG-CG 3.49Å; R380-G382 VanDerWaalsContact C-N 3.35Å; R380-L715 HydrophobicContact CG-CD2 3.73Å; R380-D719 IonicContact CZ-OD1 2.96Å; R380-D719 IonicContact NH1-OD1 2.75Å; R380-D719 PolarHBondContact NH1-OD1 2.84Å; R380-D719 IonicContact NH1-OD2 3.32Å |
| 381 | T | 80.5 | Confident | 85.5 | Confident | 96 Ų | 96 | 40 Ų | 40 | 59% | 0.589 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 5.5 | -176 | 47.1 | 0 | 0 | 0 | 0 | 113 | L379 V383 F385 | L379-T381 PolarHBondContact O-N 3.45Å; T381-V383 PolarHBondContact O-N 2.83Å; T381-V383 PolarHBondContact OG1-O 2.86Å; T381-V383 VanDerWaalsContact OG1-O 3.08Å; T381-F385 HydrophobicContact CG2-CE1 3.98Å; T381-F385 WeakPolarHBondContact OG1-CD1 3.14Å |
| 382 | G | 82.2 | Confident | 84.9 | Confident | 7 Ų | 7 | 41.1 Ų | 41.1 | 7% | 0.072 | 22% | 0.221 | C | C | . | . | S | Bend | trans | 69.3 | 9.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | N311 L379 R380 | N311-G382 WeakPolarHBondContact OD1-CA 3.45Å; N311-G382 PolarHBondContact OD1-O 2.95Å; L379-G382 PolarHBondContact O-N 2.84Å; R380-G382 VanDerWaalsContact C-N 3.35Å |
| 383 | V | 89.5 | Confident | 84.3 | Confident | 64 Ų | 64 | 41.4 Ų | 41.4 | 39% | 0.388 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -135.9 | 126.7 | 176.8 | 176.8 | 0 | 0 | 0 | 0 | 107.1 | Y340 T381 F385 | Y340-V383 HydrophobicContact CD1-CG1 4.27Å; Y340-V383 HydrophobicContact CE1-CG1 3.8Å; T381-V383 PolarHBondContact O-N 2.83Å; T381-V383 PolarHBondContact OG1-O 2.86Å; T381-V383 VanDerWaalsContact OG1-O 3.08Å; V383-F385 PolarHBondContact O-N 2.85Å |
| 384 | P | 93 | Very high | 83.1 | Confident | 5 Ų | 5 | 43.7 Ų | 43.7 | 3% | 0.032 | 24% | 0.24 | C | C | . | . | trans | -61.7 | 126.7 | 175.7 | -17.3 | 28.7 | 0 | 0 | 0 | 110.9 | F313 F325 Y340 F342 L379 | F313-P384 HydrophobicContact CD1-CG 4.26Å; F313-P384 HydrophobicContact CE1-CG 3.79Å; F313-P384 HydrophobicContact CZ-CG 4.18Å; F325-P384 HydrophobicContact CB-CB 4.46Å; F325-P384 HydrophobicContact CB-CG 3.75Å; F325-P384 HydrophobicContact CD1-CB 4.29Å; F325-P384 HydrophobicContact CD1-CG 4.14Å; F325-P384 HydrophobicContact CD2-CB 3.74Å; F325-P384 HydrophobicContact CD2-CG 3.98Å; F325-P384 HydrophobicContact CE1-CB 4.44Å; F325-P384 HydrophobicContact CE2-CB 3.91Å; F325-P384 HydrophobicContact CG-CB 3.94Å; F325-P384 HydrophobicContact CG-CG 3.72Å; F325-P384 HydrophobicContact CZ-CB 4.27Å; Y340-P384 HydrophobicContact CD2-CG 3.84Å; Y340-P384 HydrophobicContact CE2-CG 4.48Å; Y340-P384 HydrophobicContact CG-CG 3.89Å; F342-P384 HydrophobicContact CE2-CB 4.05Å; F342-P384 HydrophobicContact CZ-CB 4.28Å; F342-P384 WeakPolarHBondContact CZ-O 3.46Å; L379-P384 HydrophobicContact CD2-CB 3.73Å; L379-P384 HydrophobicContact CD2-CG 3.62Å | ||
| 385 | F | 93.1 | Very high | 81.6 | Confident | 73 Ų | 73 | 45.6 Ų | 45.6 | 32% | 0.32 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 156 | 174.9 | 73.9 | -89.3 | 0 | 0 | 0 | 112.5 | F377 S378 T381 V383 Q387 | F377-F385 CarbonylContact C-O 3.44Å; F377-F385 VanDerWaalsContact CA-O 3.24Å; F377-F385 WeakPolarHBondContact CA-O 3.49Å; S378-F385 VanDerWaalsContact CB-CZ 3.46Å; S378-F385 PolarHBondContact N-O 3.35Å; S378-F385 WeakPolarHBondContact O-CD1 3.43Å; S378-F385 PolarHBondContact O-N 3.06Å; S378-F385 WeakPolarHBondContact OG-CE1 3.48Å; S378-F385 VanDerWaalsContact OG-CZ 3.28Å; S378-F385 WeakPolarHBondContact OG-CZ 3.4Å; T381-F385 HydrophobicContact CG2-CE1 3.98Å; T381-F385 WeakPolarHBondContact OG1-CD1 3.14Å; V383-F385 PolarHBondContact O-N 2.85Å; F385-Q387 PolarHBondContact O-N 2.93Å |
| 386 | L | 92.3 | Very high | 79.9 | Confident | 78 Ų | 78 | 46.2 Ų | 46.2 | 41% | 0.408 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 120.4 | 178.9 | 178.7 | 61.7 | 0 | 0 | 0 | 110.6 | T375 F377 Q389 | T375-L386 HydrophobicContact CG2-CD1 3.37Å; F377-L386 HydrophobicContact CE1-CB 4.35Å; F377-L386 HydrophobicContact CE1-CD1 4.27Å; F377-L386 HydrophobicContact CZ-CD1 4.34Å; L386-Q389 HydrophobicContact CD1-CG 3.85Å; L386-Q389 HydrophobicContact CD2-CG 4.01Å; L386-Q389 HydrophobicContact CG-CG 4.38Å |
| 387 | Q | 90.8 | Very high | 78.5 | Confident | 50 Ų | 50 | 47.2 Ų | 47.2 | 23% | 0.234 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | -44.8 | -177.9 | -179.3 | 59 | 84.8 | 0 | 0 | 112.8 | F364 I376 F385 F718 | F364-Q387 HydrophobicContact CE1-CG 4.44Å; I376-Q387 WeakPolarHBondContact O-CA 3.31Å; I376-Q387 WeakPolarHBondContact O-CB 3.36Å; I376-Q387 PolarHBondContact O-N 2.76Å; F385-Q387 PolarHBondContact O-N 2.93Å; Q387-F718 HydrophobicContact CG-CE2 4.43Å; Q387-F718 HydrophobicContact CG-CZ 4.31Å |
| 388 | D | 88.9 | Confident | 77.3 | Confident | 40 Ų | 40 | 47.7 Ų | 47.7 | 21% | 0.214 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 150.3 | -178.7 | -80 | -74.9 | 0 | 0 | 0 | 111.5 | I376 L390 W428 | I376-D388 HydrophobicContact CB-CB 4.28Å; I376-D388 HydrophobicContact CD1-CB 4.49Å; I376-D388 PolarHBondContact N-O 3.02Å; I376-D388 PolarHBondContact O-N 3Å; I376-D388 VanDerWaalsContact O-N 3.15Å; D388-L390 HydrophobicContact CB-CD2 4.4Å; D388-W428 VanDerWaalsContact CG-CD1 3.47Å; D388-W428 VanDerWaalsContact CG-NE1 3.29Å; D388-W428 PolarHBondContact OD2-NE1 2.81Å |
| 389 | Q | 86.9 | Confident | 76.5 | Confident | 109 Ų | 109 | 47.9 Ų | 47.9 | 51% | 0.509 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 125.7 | 167.3 | -68.1 | -172.3 | -45.2 | 0 | 0 | 110.1 | T375 L386 | T375-Q389 HydrophobicContact CG2-CG 4.21Å; L386-Q389 HydrophobicContact CD1-CG 3.85Å; L386-Q389 HydrophobicContact CD2-CG 4.01Å; L386-Q389 HydrophobicContact CG-CG 4.38Å |
| 390 | L | 84 | Confident | 76.3 | Confident | 19 Ų | 19 | 47.5 Ų | 47.5 | 10% | 0.099 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 71.6 | -171.2 | -50.6 | -178.9 | 0 | 0 | 0 | 111.6 | I374 I376 D388 T392 L393 L421 W428 | I374-L390 HydrophobicContact CB-CB 4.23Å; I374-L390 HydrophobicContact CB-CD1 4.47Å; I374-L390 HydrophobicContact CG2-CD1 4.3Å; I374-L390 PolarHBondContact O-N 2.78Å; I376-L390 HydrophobicContact CD1-CD1 4.11Å; D388-L390 HydrophobicContact CB-CD2 4.4Å; L390-T392 VanDerWaalsContact C-N 3.34Å; L390-T392 PolarHBondContact O-N 3.49Å; L390-L393 HydrophobicContact CB-CD1 3.92Å; L390-L393 HydrophobicContact CD1-CD1 4.2Å; L390-L393 PolarHBondContact O-N 2.75Å; L390-L421 HydrophobicContact CD1-CD1 3.76Å; L390-W428 HydrophobicContact CD1-CB 3.98Å; L390-W428 HydrophobicContact CD1-CD2 4.38Å; L390-W428 HydrophobicContact CD1-CG 3.99Å; L390-W428 HydrophobicContact CD2-CB 3.73Å; L390-W428 HydrophobicContact CD2-CG 3.89Å |
| 391 | S | 66.1 | Low | 76.5 | Confident | 60 Ų | 60 | 44.4 Ų | 44.4 | 42% | 0.42 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -61.7 | -35.1 | -176.4 | 60.7 | 0 | 0 | 0 | 0 | 115 | E373 L393 T394 | E373-S391 VanDerWaalsContact CD-CA 3.45Å; E373-S391 VanDerWaalsContact OE1-CA 3.27Å; E373-S391 WeakPolarHBondContact OE1-CA 3.18Å; E373-S391 WeakPolarHBondContact OE1-CB 3.3Å; E373-S391 WeakPolarHBondContact OE2-CA 3.17Å; E373-S391 WeakPolarHBondContact OE2-CB 3.25Å; E373-S391 PolarHBondContact OE2-N 2.93Å; S391-L393 PolarHBondContact O-N 2.71Å; S391-T394 WeakPolarHBondContact O-CG2 3.37Å |
| 392 | T | 55.5 | Low | 77 | Confident | 119 Ų | 119 | 40 Ų | 40 | 73% | 0.73 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -67.2 | -4.4 | -175.4 | 56 | 0 | 0 | 0 | 0 | 114.4 | L390 | L390-T392 VanDerWaalsContact C-N 3.34Å; L390-T392 PolarHBondContact O-N 3.49Å |
| 393 | L | 59 | Low | 77.4 | Confident | 10 Ų | 10 | 39.8 Ų | 39.8 | 5% | 0.052 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -107 | 34.8 | -172.6 | -59.8 | 177.9 | 0 | 0 | 0 | 113.4 | I374 L390 S391 S395 F396 L421 P430 | I374-L393 HydrophobicContact CD1-CB 4.36Å; I374-L393 HydrophobicContact CD1-CD1 4.16Å; L390-L393 HydrophobicContact CB-CD1 3.92Å; L390-L393 HydrophobicContact CD1-CD1 4.2Å; L390-L393 PolarHBondContact O-N 2.75Å; S391-L393 PolarHBondContact O-N 2.71Å; L393-S395 PolarHBondContact O-N 3.41Å; L393-F396 HydrophobicContact CB-CD2 3.96Å; L393-F396 HydrophobicContact CD2-CD2 4Å; L393-F396 HydrophobicContact CD2-CE2 4.09Å; L393-F396 PolarHBondContact O-N 3.08Å; L393-L421 HydrophobicContact CD1-CD1 3.75Å; L393-L421 HydrophobicContact CD1-CD2 3.49Å; L393-L421 VanDerWaalsContact CD1-CD2 3.49Å; L393-L421 HydrophobicContact CD1-CG 4.28Å; L393-P430 HydrophobicContact CD2-CB 3.8Å; L393-P430 HydrophobicContact CD2-CG 4.21Å |
| 394 | T | 54.4 | Low | 77 | Confident | 99 Ų | 99 | 37.1 Ų | 37.1 | 61% | 0.607 | 21% | 0.205 | S | C | * | . | G | 310 helix | trans | -51.8 | -28.1 | -176.1 | 59.2 | 0 | 0 | 0 | 0 | 115 | S391 K397 | S391-T394 WeakPolarHBondContact O-CG2 3.37Å; T394-K397 WeakPolarHBondContact O-CG 3.36Å |
| 395 | S | 55.8 | Low | 76.5 | Confident | 41 Ų | 41 | 42.7 Ų | 42.7 | 29% | 0.287 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -77.8 | -13.8 | 178.8 | 48.5 | 0 | 0 | 0 | 0 | 115.1 | L393 G413 S415 | L393-S395 PolarHBondContact O-N 3.41Å; S395-G413 CarbonylContact O-C 3.57Å; S395-G413 WeakPolarHBondContact O-CA 3.36Å; S395-S415 WeakPolarHBondContact O-CB 3.41Å; S395-S415 PolarHBondContact O-OG 3.22Å |
| 396 | F | 54.4 | Low | 75.9 | Confident | 15 Ų | 15 | 40 Ų | 40 | 7% | 0.066 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -107.4 | 12.2 | -174.4 | -55.2 | -84.3 | 0 | 0 | 0 | 113.7 | I374 L393 Q398 A411 S412 L417 C419 L432 | I374-F396 HydrophobicContact CD1-CB 4.46Å; L393-F396 HydrophobicContact CB-CD2 3.96Å; L393-F396 HydrophobicContact CD2-CD2 4Å; L393-F396 HydrophobicContact CD2-CE2 4.09Å; L393-F396 PolarHBondContact O-N 3.08Å; F396-Q398 PolarHBondContact O-N 2.76Å; F396-A411 HydrophobicContact CB-CB 4.12Å; F396-S412 CarbonylContact O-C 3.58Å; F396-L417 HydrophobicContact CD1-CB 4.31Å; F396-L417 HydrophobicContact CE1-CB 3.5Å; F396-L417 HydrophobicContact CZ-CB 4Å; F396-L417 HydrophobicContact CZ-CD1 4.42Å; F396-C419 HydrophobicContact CD1-CB 4.28Å; F396-C419 VanDerWaalsContact CD1-SG 3.52Å; F396-C419 HydrophobicContact CE1-CB 3.76Å; F396-C419 VanDerWaalsContact CE1-SG 3.57Å; F396-C419 HydrophobicContact CZ-CB 3.96Å; F396-L432 HydrophobicContact CE1-CD1 4.18Å; F396-L432 HydrophobicContact CZ-CD1 3.89Å |
| 397 | K | 61.2 | Low | 75.7 | Confident | 20 Ų | 20 | 36.3 Ų | 36.3 | 9% | 0.087 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 71.9 | -173.2 | -65.7 | -177.4 | 161.7 | -158.7 | 0 | 113.8 | G369 D371 C372 E373 T394 | G369-K397 WeakPolarHBondContact O-CB 3.38Å; D371-K397 PolarHBondContact O-NZ 2.86Å; D371-K397 VanDerWaalsContact O-NZ 3.1Å; C372-K397 WeakPolarHBondContact O-CD 3.41Å; C372-K397 WeakPolarHBondContact O-CE 3.36Å; C372-K397 WeakPolarHBondContact O-CG 3.43Å; C372-K397 PolarHBondContact O-NZ 2.87Å; E373-K397 IonicContact OE1-NZ 2.63Å; E373-K397 PolarHBondContact OE1-NZ 3.24Å; T394-K397 WeakPolarHBondContact O-CG 3.36Å |
| 398 | Q | 70.3 | Confident | 75.7 | Confident | 14 Ų | 14 | 35.3 Ų | 35.3 | 7% | 0.065 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -156.6 | -35.4 | 171.8 | -168.9 | 173.5 | -31.4 | 0 | 0 | 115.6 | F396 S412 A841 N842 | F396-Q398 PolarHBondContact O-N 2.76Å; Q398-S412 PolarHBondContact N-O 2.75Å; Q398-A841 PolarHBondContact NE2-O 2.83Å; Q398-N842 PolarHBondContact NE2-OD1 3.15Å |
| 399 | C | 75.2 | Confident | 75.8 | Confident | 4 Ų | 4 | 33.4 Ų | 33.4 | 3% | 0.027 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 134.5 | -173.5 | 154.2 | 0 | 0 | 0 | 0 | 110.1 | C368 A411 S412 A840 | C368-C399 PolarHBondContact SG-N 3.48Å; C399-A411 WeakPolarHBondContact O-CA 3.47Å; C399-S412 WeakPolarHBondContact CB-OG 3.16Å; C399-S412 PolarHBondContact N-O 2.9Å; C399-S412 PolarHBondContact O-N 3.42Å; C399-S412 PolarHBondContact SG-OG 3.12Å; C399-S412 VanDerWaalsContact SG-OG 3.4Å; C399-A840 HydrophobicContact CB-CB 3.85Å; C399-A840 VanDerWaalsContact SG-CB 3.58Å |
| 400 | V | 85.7 | Confident | 75.9 | Confident | 6 Ų | 6 | 28.2 Ų | 28.2 | 4% | 0.036 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 140.8 | 172 | 64.2 | 0 | 0 | 0 | 0 | 110.3 | S355 T357 A366 C368 L409 L410 | S355-V400 PolarHBondContact OG-N 2.7Å; T357-V400 HydrophobicContact CG2-CB 4.41Å; T357-V400 HydrophobicContact CG2-CG1 3.89Å; T357-V400 HydrophobicContact CG2-CG2 4Å; A366-V400 HydrophobicContact CB-CG2 4.03Å; C368-V400 HydrophobicContact CB-CB 4.3Å; C368-V400 HydrophobicContact CB-CG1 4.18Å; V400-L409 HydrophobicContact CG2-CB 4.32Å; V400-L409 HydrophobicContact CG2-CD1 4.17Å; V400-L409 HydrophobicContact CG2-CD2 3.98Å; V400-L409 HydrophobicContact CG2-CG 4.41Å; V400-L410 CarbonylContact C-O 3.53Å; V400-L410 WeakPolarHBondContact CA-O 3.32Å |
| 401 | A | 87.2 | Confident | 76 | Confident | 4 Ų | 4 | 27.3 Ų | 27.3 | 3% | 0.033 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 114 | -175.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | L410 W462 T838 | A401-L410 HydrophobicContact CB-CB 4.28Å; A401-L410 PolarHBondContact N-O 3.35Å; A401-L410 PolarHBondContact O-N 2.73Å; A401-W462 PolarHBondContact O-NE1 2.69Å; A401-W462 VanDerWaalsContact O-NE1 3.07Å; A401-T838 HydrophobicContact CB-CG2 3.78Å |
| 402 | W | 90.6 | Very high | 76.7 | Confident | 4 Ų | 4 | 24.6 Ų | 24.6 | 2% | 0.015 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 148.1 | 176.6 | -146.3 | -72.9 | 0 | 0 | 0 | 111.3 | T357 C358 S359 F364 A366 I376 G406 I407 L409 W428 W462 | T357-W402 HydrophobicContact CG2-CB 4.19Å; T357-W402 HydrophobicContact CG2-CE3 4.47Å; T357-W402 PolarHBondContact OG1-N 2.72Å; C358-W402 VanDerWaalsContact O-CB 3.27Å; C358-W402 WeakPolarHBondContact O-CB 3.46Å; S359-W402 VanDerWaalsContact CB-CE2 3.48Å; F364-W402 HydrophobicContact CB-CE3 4.44Å; F364-W402 HydrophobicContact CB-CH2 3.15Å; F364-W402 HydrophobicContact CB-CZ2 3.81Å; F364-W402 HydrophobicContact CB-CZ3 3.49Å; F364-W402 VanDerWaalsContact CB-CZ3 3.49Å; F364-W402 HydrophobicContact CD1-CH2 4.15Å; F364-W402 HydrophobicContact CD2-CH2 4.03Å; F364-W402 AromaticContact CD2-CZ2 3.91Å; F364-W402 HydrophobicContact CD2-CZ2 3.91Å; F364-W402 AromaticContact CG-CH2 3.57Å; F364-W402 HydrophobicContact CG-CH2 3.57Å; F364-W402 AromaticContact CG-CZ2 3.95Å; F364-W402 HydrophobicContact CG-CZ2 3.95Å; F364-W402 HydrophobicContact CG-CZ3 4.39Å; A366-W402 HydrophobicContact CB-CE3 3.96Å; A366-W402 HydrophobicContact CB-CZ3 3.76Å; I376-W402 HydrophobicContact CG2-CH2 4.24Å; I376-W402 HydrophobicContact CG2-CZ3 4.35Å; W402-G406 PolarHBondContact NE1-O 3.02Å; W402-I407 HydrophobicContact CZ2-CG2 4.11Å; W402-L409 HydrophobicContact CB-CD2 4.14Å; W402-L409 HydrophobicContact CD2-CD2 3.55Å; W402-L409 HydrophobicContact CE3-CD2 3.33Å; W402-L409 HydrophobicContact CE3-CG 4.45Å; W402-L409 HydrophobicContact CG-CD2 3.96Å; W402-L409 HydrophobicContact CH2-CD2 4.4Å; W402-L409 HydrophobicContact CZ3-CD2 3.79Å; W402-W428 HydrophobicContact CH2-CH2 4.32Å; W402-W428 HydrophobicContact CZ2-CH2 4.46Å; W402-W462 PolarHBondContact O-NE1 3.39Å |
| 403 | S | 90.6 | Very high | 77.4 | Confident | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.007 | 11% | 0.108 | C | C | . | . | trans | -67.6 | 155.3 | 169.3 | 47.8 | 0 | 0 | 0 | 0 | 111.5 | F405 G406 N408 | S403-F405 VanDerWaalsContact C-N 3.27Å; S403-F405 PolarHBondContact O-N 2.95Å; S403-F405 PolarHBondContact OG-O 2.76Å; S403-G406 PolarHBondContact OG-O 3.02Å; S403-N408 PolarHBondContact N-O 3.35Å; S403-N408 WeakPolarHBondContact OG-CB 3.43Å; S403-N408 PolarHBondContact OG-N 3.41Å; S403-N408 VanDerWaalsContact OG-N 3.13Å; S403-N408 PolarHBondContact OG-ND2 3.5Å; S403-N408 VanDerWaalsContact OG-ND2 3.16Å; S403-N408 PolarHBondContact OG-O 2.95Å; S403-N408 VanDerWaalsContact OG-O 3.13Å | ||
| 404 | N | 82.2 | Confident | 77.7 | Confident | 9 Ų | 9 | 23.3 Ų | 23.3 | 5% | 0.048 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -72.6 | -26.5 | 179.8 | -55.7 | -52.8 | 0 | 0 | 0 | 112.1 | T360 N463 D466 S836 | T360-N404 WeakPolarHBondContact CG2-O 3.29Å; T360-N404 PolarHBondContact OG1-O 2.84Å; N404-N463 PolarHBondContact ND2-O 2.99Å; N404-D466 WeakPolarHBondContact CA-OD2 3.37Å; N404-D466 WeakPolarHBondContact CB-OD1 3.41Å; N404-D466 VanDerWaalsContact CG-OD1 3.3Å; N404-D466 VanDerWaalsContact N-CG 3.29Å; N404-D466 PolarHBondContact N-OD1 3Å; N404-D466 PolarHBondContact N-OD2 2.99Å; N404-D466 PolarHBondContact ND2-OD1 2.75Å; N404-S836 PolarHBondContact ND2-O 2.91Å; N404-S836 WeakPolarHBondContact OD1-CA 3.39Å; N404-S836 WeakPolarHBondContact OD1-CB 3.43Å; N404-S836 PolarHBondContact OD1-O 3Å; N404-S836 VanDerWaalsContact OD1-O 3.09Å |
| 405 | F | 81.5 | Confident | 78.3 | Confident | 121 Ų | 121 | 20.6 Ų | 20.6 | 53% | 0.531 | 11% | 0.111 | S | C | . | . | S | Bend | trans | -132.3 | 114.7 | 178.9 | -57.1 | -79.5 | 0 | 0 | 0 | 111.3 | S403 D466 | S403-F405 VanDerWaalsContact C-N 3.27Å; S403-F405 PolarHBondContact O-N 2.95Å; S403-F405 PolarHBondContact OG-O 2.76Å; F405-D466 PolarHBondContact N-OD2 3.29Å |
| 406 | G | 81.5 | Confident | 79.1 | Confident | 16 Ų | 16 | 18.9 Ų | 18.9 | 17% | 0.165 | 10% | 0.099 | C | C | . | . | S | Bend | trans | 81.9 | -163.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115 | W402 S403 N408 Q710 | W402-G406 PolarHBondContact NE1-O 3.02Å; S403-G406 PolarHBondContact OG-O 3.02Å; G406-N408 PolarHBondContact O-N 3.13Å; G406-Q710 VanDerWaalsContact N-NE2 3.14Å |
| 407 | I | 87.7 | Confident | 80.3 | Confident | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -100.3 | 73.1 | -164.9 | -45.5 | -180 | 0 | 0 | 0 | 111.5 | F364 W402 W428 E714 Y717 F718 | F364-I407 HydrophobicContact CE2-CD1 4.28Å; F364-I407 HydrophobicContact CZ-CD1 4.26Å; W402-I407 HydrophobicContact CZ2-CG2 4.11Å; I407-W428 HydrophobicContact CG2-CH2 3.37Å; I407-W428 HydrophobicContact CG2-CZ2 3.94Å; I407-W428 HydrophobicContact CG2-CZ3 4.04Å; I407-E714 VanDerWaalsContact CD1-O 3.32Å; I407-E714 WeakPolarHBondContact CD1-O 3.47Å; I407-Y717 HydrophobicContact CB-CD1 4.02Å; I407-Y717 HydrophobicContact CB-CE1 4.36Å; I407-Y717 HydrophobicContact CD1-CD1 3.81Å; I407-Y717 HydrophobicContact CG1-CD1 3.86Å; I407-F718 HydrophobicContact CD1-CB 3.48Å; I407-F718 VanDerWaalsContact CD1-CB 3.48Å; I407-F718 HydrophobicContact CD1-CD2 3.91Å; I407-F718 HydrophobicContact CD1-CG 4.2Å |
| 408 | N | 90.4 | Very high | 81.4 | Confident | 29 Ų | 29 | 20.3 Ų | 20.3 | 16% | 0.155 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 141.5 | 168.6 | -42.1 | -108.8 | 0 | 0 | 0 | 109.6 | S403 G406 I420 L421 R422 W462 | S403-N408 PolarHBondContact N-O 3.35Å; S403-N408 WeakPolarHBondContact OG-CB 3.43Å; S403-N408 PolarHBondContact OG-N 3.41Å; S403-N408 VanDerWaalsContact OG-N 3.13Å; S403-N408 PolarHBondContact OG-ND2 3.5Å; S403-N408 VanDerWaalsContact OG-ND2 3.16Å; S403-N408 PolarHBondContact OG-O 2.95Å; S403-N408 VanDerWaalsContact OG-O 3.13Å; G406-N408 PolarHBondContact O-N 3.13Å; N408-I420 HydrophobicContact CB-CG2 4.28Å; N408-L421 CarbonylContact C-O 3.59Å; N408-L421 VanDerWaalsContact CA-O 3.32Å; N408-L421 WeakPolarHBondContact CA-O 3.46Å; N408-R422 WeakPolarHBondContact OD1-CD 3.41Å; N408-R422 WeakPolarHBondContact OD1-CG 3.38Å; N408-R422 PolarHBondContact OD1-NE 2.88Å; N408-W462 HydrophobicContact CB-CH2 3.66Å; N408-W462 HydrophobicContact CB-CZ2 3.68Å |
| 409 | L | 90.6 | Very high | 82.3 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 140.4 | 167.2 | -63.7 | 174.4 | 0 | 0 | 0 | 109.4 | T357 A366 I374 I376 V400 W402 I420 L421 W428 | T357-L409 HydrophobicContact CG2-CD2 4.38Å; A366-L409 HydrophobicContact CB-CD1 3.82Å; A366-L409 HydrophobicContact CB-CD2 3.81Å; A366-L409 HydrophobicContact CB-CG 4.5Å; I374-L409 HydrophobicContact CG2-CD1 4.49Å; I376-L409 HydrophobicContact CD1-CD1 3.59Å; I376-L409 HydrophobicContact CG1-CD1 4.19Å; V400-L409 HydrophobicContact CG2-CB 4.32Å; V400-L409 HydrophobicContact CG2-CD1 4.17Å; V400-L409 HydrophobicContact CG2-CD2 3.98Å; V400-L409 HydrophobicContact CG2-CG 4.41Å; W402-L409 HydrophobicContact CB-CD2 4.14Å; W402-L409 HydrophobicContact CD2-CD2 3.55Å; W402-L409 HydrophobicContact CE3-CD2 3.33Å; W402-L409 HydrophobicContact CE3-CG 4.45Å; W402-L409 HydrophobicContact CG-CD2 3.96Å; W402-L409 HydrophobicContact CH2-CD2 4.4Å; W402-L409 HydrophobicContact CZ3-CD2 3.79Å; L409-I420 CarbonylContact O-C 3.59Å; L409-I420 WeakPolarHBondContact O-CA 3.39Å; L409-L421 HydrophobicContact CB-CB 4.16Å; L409-L421 HydrophobicContact CB-CD1 4.28Å; L409-L421 HydrophobicContact CB-CG 4.44Å; L409-L421 HydrophobicContact CD1-CD1 4.42Å; L409-L421 PolarHBondContact N-O 3.42Å; L409-L421 PolarHBondContact O-N 3.35Å; L409-W428 HydrophobicContact CD1-CH2 4.18Å; L409-W428 HydrophobicContact CD1-CZ3 4.1Å; L409-W428 HydrophobicContact CG-CH2 4.23Å; L409-W428 HydrophobicContact CG-CZ3 4.04Å |
| 410 | L | 89.6 | Confident | 83.1 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 117.9 | 165.1 | 175.2 | 59.6 | 0 | 0 | 0 | 108 | V400 A401 L433 A460 I461 W462 I469 | V400-L410 CarbonylContact C-O 3.53Å; V400-L410 WeakPolarHBondContact CA-O 3.32Å; A401-L410 HydrophobicContact CB-CB 4.28Å; A401-L410 PolarHBondContact N-O 3.35Å; A401-L410 PolarHBondContact O-N 2.73Å; L410-L433 HydrophobicContact CD1-CD1 4.22Å; L410-A460 HydrophobicContact CD1-CB 4.37Å; L410-A460 HydrophobicContact CD2-CB 3.86Å; L410-A460 HydrophobicContact CG-CB 4.31Å; L410-I461 VanDerWaalsContact CD2-C 3.47Å; L410-W462 HydrophobicContact CB-CZ2 3.99Å; L410-I469 HydrophobicContact CD1-CD1 4.31Å; L410-I469 HydrophobicContact CD1-CG2 4.11Å; L410-I469 HydrophobicContact CD2-CG1 4.47Å; L410-I469 HydrophobicContact CD2-CG2 3.82Å |
| 411 | A | 87 | Confident | 83.3 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 138.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111 | I374 F396 C399 A418 C419 L421 | I374-A411 HydrophobicContact CD1-CB 3.71Å; F396-A411 HydrophobicContact CB-CB 4.12Å; C399-A411 WeakPolarHBondContact O-CA 3.47Å; A411-A418 CarbonylContact O-C 3.52Å; A411-A418 VanDerWaalsContact O-CA 3.23Å; A411-A418 WeakPolarHBondContact O-CA 3.47Å; A411-C419 PolarHBondContact N-O 3.08Å; A411-C419 PolarHBondContact O-N 2.73Å; A411-L421 HydrophobicContact CB-CD1 4.19Å; A411-L421 HydrophobicContact CB-CG 4.5Å |
| 412 | S | 80.2 | Confident | 83.5 | Confident | 3 Ų | 3 | 20.9 Ų | 20.9 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 148.3 | 175.4 | 68.4 | 0 | 0 | 0 | 0 | 112.3 | F396 Q398 C399 | F396-S412 CarbonylContact O-C 3.58Å; Q398-S412 PolarHBondContact N-O 2.75Å; C399-S412 WeakPolarHBondContact CB-OG 3.16Å; C399-S412 PolarHBondContact N-O 2.9Å; C399-S412 PolarHBondContact O-N 3.42Å; C399-S412 PolarHBondContact SG-OG 3.12Å; C399-S412 VanDerWaalsContact SG-OG 3.4Å |
| 413 | G | 69.5 | Low | 83.5 | Confident | 6 Ų | 6 | 21.3 Ų | 21.3 | 6% | 0.062 | 11% | 0.109 | C | C | . | . | trans | -153.3 | 176.7 | -169.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | S395 S415 G416 L417 | S395-G413 CarbonylContact O-C 3.57Å; S395-G413 WeakPolarHBondContact O-CA 3.36Å; G413-S415 PolarHBondContact O-N 3.23Å; G413-G416 PolarHBondContact O-N 2.99Å; G413-L417 PolarHBondContact N-O 2.99Å | ||
| 414 | K | 65.7 | Low | 83.2 | Confident | 97 Ų | 97 | 22.8 Ų | 22.8 | 42% | 0.422 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.3 | -25.1 | -176.1 | -57.1 | 174.8 | -171.7 | 171.1 | 0 | 114.8 | D371 G416 | D371-K414 VanDerWaalsContact CG-NZ 3.3Å; D371-K414 IonicContact OD1-NZ 3.84Å; D371-K414 PolarHBondContact OD1-NZ 2.9Å; D371-K414 IonicContact OD2-NZ 2.75Å; D371-K414 PolarHBondContact OD2-NZ 3.35Å; K414-G416 PolarHBondContact O-N 3.19Å |
| 415 | S | 67.8 | Low | 83.3 | Confident | 42 Ų | 42 | 31.2 Ų | 31.2 | 29% | 0.294 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -29.8 | 175 | 61.6 | 0 | 0 | 0 | 0 | 113.5 | S395 G413 L417 | S395-S415 WeakPolarHBondContact O-CB 3.41Å; S395-S415 PolarHBondContact O-OG 3.22Å; G413-S415 PolarHBondContact O-N 3.23Å; S415-L417 PolarHBondContact OG-N 3.21Å; S415-L417 VanDerWaalsContact OG-N 3.12Å |
| 416 | G | 72.2 | Confident | 83.4 | Confident | 4 Ų | 4 | 31.4 Ų | 31.4 | 4% | 0.041 | 15% | 0.145 | C | C | . | . | S | Bend | trans | 89.2 | 10.8 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | G413 K414 R456 V457 | G413-G416 PolarHBondContact O-N 2.99Å; K414-G416 PolarHBondContact O-N 3.19Å; G416-R456 VanDerWaalsContact CA-CB 3.47Å; G416-R456 CarbonylContact O-C 3.57Å; G416-R456 WeakPolarHBondContact O-CA 3.44Å; G416-V457 PolarHBondContact O-N 3.3Å |
| 417 | L | 79.7 | Confident | 83.7 | Confident | 65 Ų | 65 | 37.8 Ų | 37.8 | 34% | 0.34 | 17% | 0.168 | S | C | . | . | trans | -101.4 | 155.4 | 174.3 | -57.5 | 177.9 | 0 | 0 | 0 | 110.6 | F396 G413 S415 L432 V435 | F396-L417 HydrophobicContact CD1-CB 4.31Å; F396-L417 HydrophobicContact CE1-CB 3.5Å; F396-L417 HydrophobicContact CZ-CB 4Å; F396-L417 HydrophobicContact CZ-CD1 4.42Å; G413-L417 PolarHBondContact N-O 2.99Å; S415-L417 PolarHBondContact OG-N 3.21Å; S415-L417 VanDerWaalsContact OG-N 3.12Å; L417-L432 HydrophobicContact CB-CD1 4.1Å; L417-L432 HydrophobicContact CD1-CD1 4.18Å; L417-L432 HydrophobicContact CD2-CD1 4.44Å; L417-L432 HydrophobicContact CG-CD1 4.47Å; L417-V435 HydrophobicContact CD2-CG2 4.37Å | ||
| 418 | A | 85.1 | Confident | 83.7 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 148.9 | 167 | 0 | 0 | 0 | 0 | 0 | 110.1 | A411 L433 V457 | A411-A418 CarbonylContact O-C 3.52Å; A411-A418 VanDerWaalsContact O-CA 3.23Å; A411-A418 WeakPolarHBondContact O-CA 3.47Å; A418-L433 HydrophobicContact CB-CD1 4.13Å; A418-L433 WeakPolarHBondContact O-CB 3.35Å; A418-L433 PolarHBondContact O-N 3.09Å; A418-V457 HydrophobicContact CB-CB 4.29Å; A418-V457 HydrophobicContact CB-CG1 4.04Å; A418-V457 HydrophobicContact CB-CG2 4.21Å |
| 419 | C | 89.2 | Confident | 83.6 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 151.3 | 178 | 62.3 | 0 | 0 | 0 | 0 | 111.2 | F396 A411 Y431 | F396-C419 HydrophobicContact CD1-CB 4.28Å; F396-C419 VanDerWaalsContact CD1-SG 3.52Å; F396-C419 HydrophobicContact CE1-CB 3.76Å; F396-C419 VanDerWaalsContact CE1-SG 3.57Å; F396-C419 HydrophobicContact CZ-CB 3.96Å; A411-C419 PolarHBondContact N-O 3.08Å; A411-C419 PolarHBondContact O-N 2.73Å; C419-Y431 WeakPolarHBondContact CA-O 3.35Å |
| 420 | I | 91.1 | Very high | 83.5 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 128.7 | 166.8 | -44.8 | 173 | 0 | 0 | 0 | 106.8 | N408 L409 R422 Y431 L433 W462 I469 S483 R486 | N408-I420 HydrophobicContact CB-CG2 4.28Å; L409-I420 CarbonylContact O-C 3.59Å; L409-I420 WeakPolarHBondContact O-CA 3.39Å; I420-R422 HydrophobicContact CG2-CG 4.23Å; I420-Y431 PolarHBondContact N-O 3.41Å; I420-Y431 WeakPolarHBondContact O-CB 3.35Å; I420-Y431 PolarHBondContact O-N 3.32Å; I420-L433 HydrophobicContact CD1-CD2 4.28Å; I420-L433 HydrophobicContact CG1-CD2 4.29Å; I420-W462 HydrophobicContact CG2-CH2 3.72Å; I420-W462 HydrophobicContact CG2-CZ2 4.17Å; I420-I469 HydrophobicContact CD1-CD1 3.41Å; I420-I469 VanDerWaalsContact CD1-CD1 3.41Å; I420-I469 HydrophobicContact CG1-CD1 3.5Å; I420-S483 WeakPolarHBondContact CD1-O 3.21Å; I420-R486 HydrophobicContact CD1-CG 4.32Å |
| 421 | L | 90.5 | Very high | 83.5 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 120.4 | 169.8 | -46.1 | 176.8 | 0 | 0 | 0 | 106.8 | I374 L390 L393 N408 L409 A411 W428 P430 | I374-L421 HydrophobicContact CD1-CD1 4.04Å; L390-L421 HydrophobicContact CD1-CD1 3.76Å; L393-L421 HydrophobicContact CD1-CD1 3.75Å; L393-L421 HydrophobicContact CD1-CD2 3.49Å; L393-L421 VanDerWaalsContact CD1-CD2 3.49Å; L393-L421 HydrophobicContact CD1-CG 4.28Å; N408-L421 CarbonylContact C-O 3.59Å; N408-L421 VanDerWaalsContact CA-O 3.32Å; N408-L421 WeakPolarHBondContact CA-O 3.46Å; L409-L421 HydrophobicContact CB-CB 4.16Å; L409-L421 HydrophobicContact CB-CD1 4.28Å; L409-L421 HydrophobicContact CB-CG 4.44Å; L409-L421 HydrophobicContact CD1-CD1 4.42Å; L409-L421 PolarHBondContact N-O 3.42Å; L409-L421 PolarHBondContact O-N 3.35Å; A411-L421 HydrophobicContact CB-CD1 4.19Å; A411-L421 HydrophobicContact CB-CG 4.5Å; L421-W428 HydrophobicContact CB-CE3 3.83Å; L421-W428 HydrophobicContact CB-CZ3 4.32Å; L421-P430 HydrophobicContact CD2-CB 3.83Å |
| 422 | R | 90.4 | Very high | 83.5 | Confident | 40 Ų | 40 | 50.3 Ų | 50.3 | 15% | 0.151 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 139.6 | 171 | -61.1 | -158.6 | 169.1 | 112.2 | 9.7 | 110 | N408 I420 E424 W428 K429 Y431 S483 | N408-R422 WeakPolarHBondContact OD1-CD 3.41Å; N408-R422 WeakPolarHBondContact OD1-CG 3.38Å; N408-R422 PolarHBondContact OD1-NE 2.88Å; I420-R422 HydrophobicContact CG2-CG 4.23Å; R422-E424 HydrophobicContact CB-CG 3.96Å; R422-E424 WeakPolarHBondContact CD-OE1 3.34Å; R422-E424 PolarHBondContact O-N 2.74Å; R422-W428 CarbonylContact O-C 3.48Å; R422-W428 WeakPolarHBondContact O-CA 3.43Å; R422-K429 PolarHBondContact N-O 3.44Å; R422-K429 PolarHBondContact O-N 3.06Å; R422-Y431 HydrophobicContact CB-CD2 4.39Å; R422-Y431 HydrophobicContact CB-CE2 4.09Å; R422-Y431 HydrophobicContact CG-CD2 4.06Å; R422-Y431 HydrophobicContact CG-CE2 4.07Å; R422-S483 PolarHBondContact NH2-O 2.88Å |
| 423 | Y | 90.2 | Very high | 83.8 | Confident | 12 Ų | 12 | 50.2 Ų | 50.2 | 5% | 0.047 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 110.8 | 166.7 | -166.5 | -98.4 | 0 | 0 | 0 | 109.2 | W428 Y717 F718 E721 T722 | Y423-W428 AromaticContact CD2-CD1 3.81Å; Y423-W428 HydrophobicContact CD2-CD2 4.04Å; Y423-W428 AromaticContact CD2-CE2 3.64Å; Y423-W428 HydrophobicContact CD2-CG 4.15Å; Y423-W428 HydrophobicContact CD2-CZ2 4.16Å; Y423-W428 AromaticContact CD2-NE1 3.48Å; Y423-W428 AromaticContact CE2-NE1 3.93Å; Y423-Y717 PolarHBondContact O-OH 3.05Å; Y423-F718 AromaticContact CD1-CD2 3.86Å; Y423-F718 HydrophobicContact CD1-CD2 3.86Å; Y423-F718 HydrophobicContact CD1-CE2 4.12Å; Y423-F718 HydrophobicContact CD1-CG 4.35Å; Y423-F718 HydrophobicContact CD2-CD2 4.45Å; Y423-F718 HydrophobicContact CD2-CE2 4.05Å; Y423-F718 HydrophobicContact CE1-CD1 4.3Å; Y423-F718 AromaticContact CE1-CD2 3.79Å; Y423-F718 HydrophobicContact CE1-CD2 3.79Å; Y423-F718 HydrophobicContact CE1-CE1 4.3Å; Y423-F718 AromaticContact CE1-CE2 3.78Å; Y423-F718 HydrophobicContact CE1-CE2 3.78Å; Y423-F718 HydrophobicContact CE1-CG 4.09Å; Y423-F718 HydrophobicContact CE1-CZ 4.06Å; Y423-F718 HydrophobicContact CE2-CD2 4.37Å; Y423-F718 AromaticContact CE2-CE2 3.67Å; Y423-F718 HydrophobicContact CE2-CE2 3.67Å; Y423-F718 HydrophobicContact CE2-CZ 4.02Å; Y423-F718 HydrophobicContact CG-CD2 4.19Å; Y423-F718 HydrophobicContact CG-CE2 4.24Å; Y423-F718 AromaticContact CZ-CE2 3.52Å; Y423-F718 AromaticContact CZ-CZ 3.58Å; Y423-F718 WeakPolarHBondContact OH-CZ 3.42Å; Y423-E721 HydrophobicContact CD1-CB 3.76Å; Y423-E721 HydrophobicContact CE1-CB 3.97Å; Y423-T722 WeakPolarHBondContact CE1-OG1 3.24Å; Y423-T722 PolarHBondContact OH-OG1 3.35Å |
| 424 | E | 85.7 | Confident | 84.3 | Confident | 33 Ų | 33 | 52.9 Ų | 52.9 | 15% | 0.154 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 126.8 | -178.6 | -68 | 178.7 | -151.8 | 0 | 0 | 110.9 | R422 K427 K429 Y431 E721 | R422-E424 HydrophobicContact CB-CG 3.96Å; R422-E424 WeakPolarHBondContact CD-OE1 3.34Å; R422-E424 PolarHBondContact O-N 2.74Å; E424-K427 PolarHBondContact N-O 2.84Å; E424-K427 PolarHBondContact O-N 3.09Å; E424-K429 HydrophobicContact CB-CD 3.88Å; E424-K429 VanDerWaalsContact CB-CE 3.47Å; E424-K429 HydrophobicContact CB-CG 4.39Å; E424-K429 HydrophobicContact CG-CD 4.49Å; E424-K429 VanDerWaalsContact O-CE 3.31Å; E424-K429 WeakPolarHBondContact O-CE 3.35Å; E424-K429 WeakPolarHBondContact OE2-CD 3.32Å; E424-K429 IonicContact OE2-NZ 2.93Å; E424-K429 PolarHBondContact OE2-NZ 2.81Å; E424-Y431 WeakPolarHBondContact OE1-CE2 3.42Å; E424-Y431 PolarHBondContact OE1-OH 2.75Å; E424-Y431 PolarHBondContact OE2-OH 3.21Å; E424-Y431 VanDerWaalsContact OE2-OH 3.09Å; E424-E721 WeakPolarHBondContact CA-OE2 3.27Å |
| 425 | R | 84 | Confident | 85 | Confident | 185 Ų | 185 | 48.5 Ų | 48.5 | 70% | 0.698 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49 | 60.8 | 179.8 | -55.9 | -176.1 | -174.9 | -179.6 | -2.3 | 112.6 | K427 E721 | R425-K427 PolarHBondContact O-N 3.42Å; R425-E721 CarbonylContact C-O 3.5Å; R425-E721 VanDerWaalsContact CA-O 3.31Å; R425-E721 WeakPolarHBondContact CA-O 3.43Å; R425-E721 PolarHBondContact N-OE2 2.81Å |
| 426 | R | 83.6 | Confident | 85.4 | Confident | 126 Ų | 126 | 54.3 Ų | 54.3 | 48% | 0.475 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 16.8 | 179.1 | -58.4 | 165.8 | 170.5 | -120.1 | -16.3 | 115.3 | E721 T722 S723 | R426-E721 PolarHBondContact N-O 2.76Å; R426-T722 PolarHBondContact NE-O 3.41Å; R426-T722 PolarHBondContact NH2-O 3.11Å; R426-S723 PolarHBondContact NE-O 3.09Å; R426-S723 VanDerWaalsContact NE-O 3.07Å |
| 427 | K | 86.8 | Confident | 85.7 | Confident | 150 Ų | 150 | 57.1 Ų | 57.1 | 65% | 0.652 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 139.9 | -177.8 | -65.3 | -169.9 | 178.9 | -173.8 | 0 | 112.8 | E424 R425 K429 | E424-K427 PolarHBondContact N-O 2.84Å; E424-K427 PolarHBondContact O-N 3.09Å; R425-K427 PolarHBondContact O-N 3.42Å; K427-K429 PolarHBondContact O-N 3.03Å |
| 428 | W | 88.5 | Confident | 85.6 | Confident | 24 Ų | 24 | 58.9 Ų | 58.9 | 9% | 0.091 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 108.4 | 165.5 | -69.8 | 93.2 | 0 | 0 | 0 | 110.4 | I376 D388 L390 W402 I407 L409 L421 R422 Y423 | I376-W428 HydrophobicContact CD1-CD2 3.99Å; I376-W428 HydrophobicContact CD1-CE3 4.46Å; I376-W428 HydrophobicContact CD1-CH2 3.85Å; I376-W428 HydrophobicContact CD1-CZ2 3.33Å; I376-W428 HydrophobicContact CD1-CZ3 4.4Å; I376-W428 HydrophobicContact CG2-CZ2 4.48Å; D388-W428 VanDerWaalsContact CG-CD1 3.47Å; D388-W428 VanDerWaalsContact CG-NE1 3.29Å; D388-W428 PolarHBondContact OD2-NE1 2.81Å; L390-W428 HydrophobicContact CD1-CB 3.98Å; L390-W428 HydrophobicContact CD1-CD2 4.38Å; L390-W428 HydrophobicContact CD1-CG 3.99Å; L390-W428 HydrophobicContact CD2-CB 3.73Å; L390-W428 HydrophobicContact CD2-CG 3.89Å; W402-W428 HydrophobicContact CH2-CH2 4.32Å; W402-W428 HydrophobicContact CZ2-CH2 4.46Å; I407-W428 HydrophobicContact CG2-CH2 3.37Å; I407-W428 HydrophobicContact CG2-CZ2 3.94Å; I407-W428 HydrophobicContact CG2-CZ3 4.04Å; L409-W428 HydrophobicContact CD1-CH2 4.18Å; L409-W428 HydrophobicContact CD1-CZ3 4.1Å; L409-W428 HydrophobicContact CG-CH2 4.23Å; L409-W428 HydrophobicContact CG-CZ3 4.04Å; L421-W428 HydrophobicContact CB-CE3 3.83Å; L421-W428 HydrophobicContact CB-CZ3 4.32Å; R422-W428 CarbonylContact O-C 3.48Å; R422-W428 WeakPolarHBondContact O-CA 3.43Å; Y423-W428 AromaticContact CD2-CD1 3.81Å; Y423-W428 HydrophobicContact CD2-CD2 4.04Å; Y423-W428 AromaticContact CD2-CE2 3.64Å; Y423-W428 HydrophobicContact CD2-CG 4.15Å; Y423-W428 HydrophobicContact CD2-CZ2 4.16Å; Y423-W428 AromaticContact CD2-NE1 3.48Å; Y423-W428 AromaticContact CE2-NE1 3.93Å |
| 429 | K | 88.5 | Confident | 85.3 | Confident | 64 Ų | 64 | 61.1 Ų | 61.1 | 28% | 0.278 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 122.9 | 178.9 | -64.7 | -176.8 | -162.4 | 158.3 | 0 | 110.6 | R422 E424 K427 Y431 | R422-K429 PolarHBondContact N-O 3.44Å; R422-K429 PolarHBondContact O-N 3.06Å; E424-K429 HydrophobicContact CB-CD 3.88Å; E424-K429 VanDerWaalsContact CB-CE 3.47Å; E424-K429 HydrophobicContact CB-CG 4.39Å; E424-K429 HydrophobicContact CG-CD 4.49Å; E424-K429 VanDerWaalsContact O-CE 3.31Å; E424-K429 WeakPolarHBondContact O-CE 3.35Å; E424-K429 WeakPolarHBondContact OE2-CD 3.32Å; E424-K429 IonicContact OE2-NZ 2.93Å; E424-K429 PolarHBondContact OE2-NZ 2.81Å; K427-K429 PolarHBondContact O-N 3.03Å; K429-Y431 HydrophobicContact CB-CD2 4.34Å; K429-Y431 HydrophobicContact CB-CE2 3.71Å; K429-Y431 WeakPolarHBondContact O-CD2 3.47Å |
| 430 | P | 88.4 | Confident | 84.4 | Confident | 75 Ų | 75 | 66.9 Ų | 66.9 | 49% | 0.487 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 117.4 | 177.5 | 32.1 | -32.8 | 0 | 0 | 0 | 112 | L393 L421 | L393-P430 HydrophobicContact CD2-CB 3.8Å; L393-P430 HydrophobicContact CD2-CG 4.21Å; L421-P430 HydrophobicContact CD2-CB 3.83Å |
| 431 | Y | 89.1 | Confident | 83.1 | Confident | 54 Ų | 54 | 74 Ų | 74 | 21% | 0.212 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 93.7 | 176.4 | -71.3 | -80.4 | 0 | 0 | 0 | 110.1 | C419 I420 R422 E424 K429 | C419-Y431 WeakPolarHBondContact CA-O 3.35Å; I420-Y431 PolarHBondContact N-O 3.41Å; I420-Y431 WeakPolarHBondContact O-CB 3.35Å; I420-Y431 PolarHBondContact O-N 3.32Å; R422-Y431 HydrophobicContact CB-CD2 4.39Å; R422-Y431 HydrophobicContact CB-CE2 4.09Å; R422-Y431 HydrophobicContact CG-CD2 4.06Å; R422-Y431 HydrophobicContact CG-CE2 4.07Å; E424-Y431 WeakPolarHBondContact OE1-CE2 3.42Å; E424-Y431 PolarHBondContact OE1-OH 2.75Å; E424-Y431 PolarHBondContact OE2-OH 3.21Å; E424-Y431 VanDerWaalsContact OE2-OH 3.09Å; K429-Y431 HydrophobicContact CB-CD2 4.34Å; K429-Y431 HydrophobicContact CB-CE2 3.71Å; K429-Y431 WeakPolarHBondContact O-CD2 3.47Å |
| 432 | L | 87.2 | Confident | 81.7 | Confident | 76 Ų | 76 | 74.8 Ų | 74.8 | 40% | 0.398 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 138.4 | 177.9 | -173.8 | 68.8 | 0 | 0 | 0 | 111.8 | F396 L417 R486 | F396-L432 HydrophobicContact CE1-CD1 4.18Å; F396-L432 HydrophobicContact CZ-CD1 3.89Å; L417-L432 HydrophobicContact CB-CD1 4.1Å; L417-L432 HydrophobicContact CD1-CD1 4.18Å; L417-L432 HydrophobicContact CD2-CD1 4.44Å; L417-L432 HydrophobicContact CG-CD1 4.47Å; L432-R486 PolarHBondContact O-NH1 3.41Å; L432-R486 VanDerWaalsContact O-NH1 3.12Å |
| 433 | L | 85.9 | Confident | 79.9 | Confident | 1 Ų | 1 | 77.6 Ų | 77.6 | 1% | 0.005 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 117.5 | 164.3 | -60.1 | 175.3 | 0 | 0 | 0 | 108.4 | L410 A418 I420 V435 I469 F481 R486 | L410-L433 HydrophobicContact CD1-CD1 4.22Å; A418-L433 HydrophobicContact CB-CD1 4.13Å; A418-L433 WeakPolarHBondContact O-CB 3.35Å; A418-L433 PolarHBondContact O-N 3.09Å; I420-L433 HydrophobicContact CD1-CD2 4.28Å; I420-L433 HydrophobicContact CG1-CD2 4.29Å; L433-V435 PolarHBondContact O-N 2.86Å; L433-V435 VanDerWaalsContact O-N 3.15Å; L433-I469 HydrophobicContact CD1-CD1 4.23Å; L433-I469 HydrophobicContact CD1-CG2 3.8Å; L433-I469 HydrophobicContact CD2-CD1 4.45Å; L433-F481 HydrophobicContact CD1-CD2 4.45Å; L433-F481 HydrophobicContact CD2-CB 4.27Å; L433-F481 HydrophobicContact CD2-CG 4.32Å; L433-R486 HydrophobicContact CD2-CB 4.12Å; L433-R486 HydrophobicContact CD2-CG 4.24Å |
| 434 | D | 81.4 | Confident | 78 | Confident | 62 Ų | 62 | 79.9 Ų | 79.9 | 33% | 0.332 | 40% | 0.402 | S | S | . | . | trans | -82.1 | 98.2 | -179.6 | 179.9 | 23 | 0 | 0 | 0 | 111.5 | K436 Q437 | D434-K436 PolarHBondContact O-N 2.99Å; D434-K436 VanDerWaalsContact O-N 3.16Å; D434-K436 VanDerWaalsContact OD1-CB 3.25Å; D434-K436 WeakPolarHBondContact OD1-CB 3.49Å; D434-K436 WeakPolarHBondContact OD1-CG 3.41Å; D434-K436 PolarHBondContact OD1-N 3.37Å; D434-Q437 HydrophobicContact CB-CG 4.02Å; D434-Q437 WeakPolarHBondContact O-CG 3.39Å; D434-Q437 PolarHBondContact O-N 3.15Å | ||
| 435 | V | 80.1 | Confident | 76.2 | Confident | 4 Ų | 4 | 82.4 Ų | 82.4 | 2% | 0.024 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -15.4 | 177.5 | -151 | 0 | 0 | 0 | 0 | 112.9 | L417 L433 P455 V457 R479 | L417-V435 HydrophobicContact CD2-CG2 4.37Å; L433-V435 PolarHBondContact O-N 2.86Å; L433-V435 VanDerWaalsContact O-N 3.15Å; V435-P455 HydrophobicContact CG1-CB 4.12Å; V435-V457 HydrophobicContact CG1-CG2 3.92Å; V435-V457 HydrophobicContact CG2-CG2 3.76Å; V435-R479 PolarHBondContact O-NE 2.92Å |
| 436 | K | 76.7 | Confident | 74.4 | Confident | 165 Ų | 165 | 82.4 Ų | 82.4 | 72% | 0.717 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -12.3 | 177.6 | -54 | 175.9 | -174.3 | 171 | 0 | 113.6 | D434 T438 | D434-K436 PolarHBondContact O-N 2.99Å; D434-K436 VanDerWaalsContact O-N 3.16Å; D434-K436 VanDerWaalsContact OD1-CB 3.25Å; D434-K436 WeakPolarHBondContact OD1-CB 3.49Å; D434-K436 WeakPolarHBondContact OD1-CG 3.41Å; D434-K436 PolarHBondContact OD1-N 3.37Å; K436-T438 PolarHBondContact O-N 3.16Å |
| 437 | Q | 78.3 | Confident | 72.7 | Confident | 62 Ų | 62 | 80.8 Ų | 80.8 | 29% | 0.29 | 43% | 0.429 | S | S | . | . | trans | -55.6 | 131.7 | 177 | -71.5 | 178.9 | 25.8 | 0 | 0 | 110.1 | D434 R486 L488 | D434-Q437 HydrophobicContact CB-CG 4.02Å; D434-Q437 WeakPolarHBondContact O-CG 3.39Å; D434-Q437 PolarHBondContact O-N 3.15Å; Q437-R486 PolarHBondContact NE2-O 3.4Å; Q437-L488 HydrophobicContact CB-CB 3.99Å; Q437-L488 HydrophobicContact CB-CD2 4.35Å; Q437-L488 WeakPolarHBondContact O-CD2 3.23Å | ||
| 438 | T | 76.1 | Confident | 70.8 | Confident | 103 Ų | 103 | 79 Ų | 79 | 63% | 0.632 | 43% | 0.433 | S | S | * | . | trans | -109.9 | 149.3 | 172.8 | 49.2 | 0 | 0 | 0 | 0 | 109.6 | K436 | K436-T438 PolarHBondContact O-N 3.16Š| ||
| 439 | L | 80.5 | Confident | 68.7 | Low | 46 Ų | 46 | 86.3 Ų | 86.3 | 24% | 0.241 | 47% | 0.468 | C | S | . | . | trans | -84.2 | 151.3 | 171 | -64.1 | 169 | 0 | 0 | 0 | 109.2 | D441 D442 L488 C491 | L439-D441 PolarHBondContact O-N 2.93Å; L439-D441 VanDerWaalsContact O-N 3.09Å; L439-D442 WeakPolarHBondContact O-CB 3.33Å; L439-D442 PolarHBondContact O-N 3.26Å; L439-D442 VanDerWaalsContact O-N 3.08Å; L439-L488 HydrophobicContact CD1-CD2 4.49Å; L439-L488 HydrophobicContact CD2-CD2 4.32Å; L439-L488 HydrophobicContact CD2-CG 4.19Å; L439-L488 WeakPolarHBondContact CD2-O 3.48Å; L439-L488 HydrophobicContact CG-CD2 3.97Å; L439-L488 HydrophobicContact CG-CG 4.29Å; L439-C491 HydrophobicContact CD1-CB 4.3Å | ||
| 440 | P | 69.9 | Low | 66.7 | Low | 122 Ų | 122 | 86.1 Ų | 86.1 | 79% | 0.792 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -30.3 | 180 | -27 | 35.8 | 0 | 0 | 0 | 114.1 | ||
| 441 | D | 63 | Low | 64.2 | Low | 150 Ų | 150 | 93.7 Ų | 93.7 | 80% | 0.802 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | 12.6 | -177.3 | -52.2 | -65.5 | 0 | 0 | 0 | 113.9 | L439 P443 | L439-D441 PolarHBondContact O-N 2.93Å; L439-D441 VanDerWaalsContact O-N 3.09Å; D441-P443 VanDerWaalsContact O-CD 3.31Å; D441-P443 WeakPolarHBondContact O-CD 3.21Å |
| 442 | D | 60.6 | Low | 62.1 | Low | 16 Ų | 16 | 95.2 Ų | 95.2 | 9% | 0.086 | 52% | 0.52 | C | S | . | . | trans | -71.1 | 115.9 | -179 | -164.2 | -24.1 | 0 | 0 | 0 | 111.2 | L439 S444 S445 R477 | L439-D442 WeakPolarHBondContact O-CB 3.33Å; L439-D442 PolarHBondContact O-N 3.26Å; L439-D442 VanDerWaalsContact O-N 3.08Å; D442-S444 PolarHBondContact O-N 3.29Å; D442-S444 VanDerWaalsContact O-N 3.15Å; D442-S444 PolarHBondContact OD1-N 3.07Å; D442-S444 PolarHBondContact OD1-OG 3.02Å; D442-S444 VanDerWaalsContact OD1-OG 3.04Å; D442-S445 WeakPolarHBondContact O-CB 3.44Å; D442-S445 PolarHBondContact O-N 3.32Å; D442-S445 VanDerWaalsContact O-N 3.15Å; D442-S445 PolarHBondContact O-OG 3.32Å; D442-R477 IonicContact OD1-CZ 2.7Å; D442-R477 IonicContact OD1-NH1 3.11Å; D442-R477 PolarHBondContact OD1-NH1 2.72Å; D442-R477 IonicContact OD1-NH2 3.38Å; D442-R477 PolarHBondContact OD1-NH2 2.77Å; D442-R477 IonicContact OD2-CZ 3.76Å; D442-R477 IonicContact OD2-NH1 2.99Å; D442-R477 PolarHBondContact OD2-NH1 3.4Å; D442-R477 IonicContact OD2-NH2 3.96Å | ||
| 443 | P | 53.7 | Low | 60.7 | Low | 100 Ų | 100 | 95.1 Ų | 95.1 | 65% | 0.649 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -66.1 | -18.2 | -174.1 | 26.2 | -35.5 | 0 | 0 | 0 | 113.8 | D441 S445 | D441-P443 VanDerWaalsContact O-CD 3.31Å; D441-P443 WeakPolarHBondContact O-CD 3.21Å; P443-S445 PolarHBondContact O-N 2.7Å; P443-S445 VanDerWaalsContact O-N 3.16Å |
| 444 | S | 50.7 | Low | 59.8 | Low | 60 Ų | 60 | 105.5 Ų | 105.5 | 42% | 0.42 | 57% | 0.565 | S | S | . | * | G | 310 helix | trans | -71.4 | -2.2 | 175.6 | 62.7 | 0 | 0 | 0 | 0 | 114 | D442 K446 R477 | D442-S444 PolarHBondContact O-N 3.29Å; D442-S444 VanDerWaalsContact O-N 3.15Å; D442-S444 PolarHBondContact OD1-N 3.07Å; D442-S444 PolarHBondContact OD1-OG 3.02Å; D442-S444 VanDerWaalsContact OD1-OG 3.04Å; S444-K446 PolarHBondContact O-N 3.15Å; S444-R477 PolarHBondContact OG-NH2 2.85Å |
| 445 | S | 46.5 | Very low | 59.4 | Low | 86 Ų | 86 | 104.5 Ų | 104.5 | 60% | 0.601 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -71.1 | -10.3 | 174.7 | 56 | 0 | 0 | 0 | 0 | 114.7 | D442 P443 | D442-S445 WeakPolarHBondContact O-CB 3.44Å; D442-S445 PolarHBondContact O-N 3.32Å; D442-S445 VanDerWaalsContact O-N 3.15Å; D442-S445 PolarHBondContact O-OG 3.32Å; P443-S445 PolarHBondContact O-N 2.7Å; P443-S445 VanDerWaalsContact O-N 3.16Å |
| 446 | K | 47.8 | Very low | 59.4 | Low | 184 Ų | 184 | 110.5 Ų | 110.5 | 80% | 0.8 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -114.5 | 0.3 | -170.8 | -65.8 | -175.6 | 178.6 | 178.7 | 0 | 115.5 | S444 | S444-K446 PolarHBondContact O-N 3.15Š|
| 447 | D | 46.3 | Very low | 59.8 | Low | 92 Ų | 92 | 102.9 Ų | 102.9 | 49% | 0.492 | 55% | 0.552 | S | S | . | * | trans | -117.7 | 102.4 | -172.8 | -168.6 | -20.3 | 0 | 0 | 0 | 111.3 | E449 A450 | D447-E449 VanDerWaalsContact C-N 3.29Å; D447-E449 PolarHBondContact O-N 2.82Å; D447-E449 PolarHBondContact OD1-N 3.43Å; D447-E449 VanDerWaalsContact OD1-N 3.09Å; D447-A450 HydrophobicContact CB-CB 4.11Å; D447-A450 WeakPolarHBondContact O-CB 3.3Å; D447-A450 PolarHBondContact O-N 2.74Å | ||
| 448 | P | 47.4 | Very low | 59.8 | Low | 113 Ų | 113 | 101.6 Ų | 101.6 | 73% | 0.734 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -15.3 | -177.4 | 31 | -35.3 | 0 | 0 | 0 | 113.8 | A450 | P448-A450 VanDerWaalsContact C-N 3.34Š|
| 449 | E | 44.8 | Very low | 60 | Low | 178 Ų | 178 | 96.8 Ų | 96.8 | 83% | 0.832 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -12.7 | 177 | -62 | -160.2 | 146.9 | 0 | 0 | 112.4 | D447 R451 | D447-E449 VanDerWaalsContact C-N 3.29Å; D447-E449 PolarHBondContact O-N 2.82Å; D447-E449 PolarHBondContact OD1-N 3.43Å; D447-E449 VanDerWaalsContact OD1-N 3.09Å; E449-R451 PolarHBondContact O-N 3.04Å |
| 450 | A | 45.6 | Very low | 60.3 | Low | 59 Ų | 59 | 94.6 Ų | 94.6 | 49% | 0.488 | 50% | 0.503 | S | S | . | . | trans | -71.4 | 44.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | D447 P448 A452 | D447-A450 HydrophobicContact CB-CB 4.11Å; D447-A450 WeakPolarHBondContact O-CB 3.3Å; D447-A450 PolarHBondContact O-N 2.74Å; P448-A450 VanDerWaalsContact C-N 3.34Å; A450-A452 PolarHBondContact O-N 2.94Å | ||
| 451 | R | 36.6 | Very low | 61.3 | Low | 235 Ų | 235 | 88.8 Ų | 88.8 | 89% | 0.887 | 47% | 0.465 | S | S | * | . | trans | -70.5 | 42.2 | 172.5 | -68.4 | -174.2 | 173.5 | -171.4 | -2 | 113.1 | E449 | E449-R451 PolarHBondContact O-N 3.04Š| ||
| 452 | A | 45.5 | Very low | 62.7 | Low | 85 Ų | 85 | 81.7 Ų | 81.7 | 70% | 0.702 | 43% | 0.427 | S | S | * | . | trans | -62.2 | 154.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111 | A450 R454 | A450-A452 PolarHBondContact O-N 2.94Å; A452-R454 PolarHBondContact O-N 3.25Å | ||
| 453 | S | 57.6 | Low | 64.1 | Low | 75 Ų | 75 | 81 Ų | 81 | 52% | 0.524 | 42% | 0.424 | S | S | . | . | trans | -58 | 133.8 | -172.1 | 67.4 | 0 | 0 | 0 | 0 | 112.4 | N474 | S453-N474 PolarHBondContact OG-ND2 3.14Š| ||
| 454 | R | 66.7 | Low | 65.6 | Low | 218 Ų | 218 | 76.9 Ų | 76.9 | 82% | 0.823 | 40% | 0.397 | S | S | * | . | trans | -37 | 131.7 | 176.3 | -69.3 | -177.9 | 178.5 | 175.4 | 0.3 | 111.4 | A452 N474 | A452-R454 PolarHBondContact O-N 3.25Å; R454-N474 PolarHBondContact O-ND2 3.46Å | ||
| 455 | P | 73.5 | Confident | 67.2 | Low | 42 Ų | 42 | 77.3 Ų | 77.3 | 27% | 0.273 | 40% | 0.395 | S | S | . | . | trans | -63.8 | 139.4 | -176 | 27.1 | -35.1 | 0 | 0 | 0 | 110.8 | V435 N474 | V435-P455 HydrophobicContact CG1-CB 4.12Å; P455-N474 WeakPolarHBondContact CA-OD1 3.24Å | ||
| 456 | R | 80.5 | Confident | 69.3 | Low | 130 Ų | 130 | 74 Ų | 74 | 49% | 0.491 | 37% | 0.37 | S | S | . | . | trans | -138 | 121.9 | -177.5 | -68.1 | -166.1 | -166.2 | -159.2 | 3.5 | 108.4 | G416 R458 C473 N474 | G416-R456 VanDerWaalsContact CA-CB 3.47Å; G416-R456 CarbonylContact O-C 3.57Å; G416-R456 WeakPolarHBondContact O-CA 3.44Å; R456-R458 PolarHBondContact O-N 3.03Å; R456-C473 CarbonylContact O-C 3.58Å; R456-C473 WeakPolarHBondContact O-CA 3.42Å; R456-N474 HydrophobicContact CB-CB 4.31Å; R456-N474 PolarHBondContact N-OD1 2.8Å; R456-N474 PolarHBondContact O-N 2.82Å; R456-N474 PolarHBondContact O-OD1 3.21Å | ||
| 457 | V | 83.1 | Confident | 71.4 | Confident | 5 Ų | 5 | 67.4 Ų | 67.4 | 3% | 0.03 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 125 | 167.2 | 177 | 0 | 0 | 0 | 0 | 108.3 | G416 A418 V435 A460 A471 L472 | G416-V457 PolarHBondContact O-N 3.3Å; A418-V457 HydrophobicContact CB-CB 4.29Å; A418-V457 HydrophobicContact CB-CG1 4.04Å; A418-V457 HydrophobicContact CB-CG2 4.21Å; V435-V457 HydrophobicContact CG1-CG2 3.92Å; V435-V457 HydrophobicContact CG2-CG2 3.76Å; V457-A460 HydrophobicContact CG1-CB 4.08Å; V457-A471 HydrophobicContact CG1-CB 4.14Å; V457-A471 HydrophobicContact CG2-CB 4.1Å; V457-L472 CarbonylContact C-O 3.49Å; V457-L472 WeakPolarHBondContact CA-O 3.34Å |
| 458 | R | 79.2 | Confident | 73.6 | Confident | 34 Ų | 34 | 64.1 Ų | 64.1 | 13% | 0.128 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -37.5 | 171.6 | -75.2 | -166.4 | -66 | 130.3 | 4.1 | 111.5 | R456 L472 C473 N474 V498 D499 N842 | R456-R458 PolarHBondContact O-N 3.03Å; R458-L472 PolarHBondContact N-O 3.05Å; R458-C473 PolarHBondContact NE-O 3.31Å; R458-C473 PolarHBondContact NH2-O 3.35Å; R458-C473 VanDerWaalsContact NH2-O 3.13Å; R458-N474 HydrophobicContact CG-CB 4.31Å; R458-V498 PolarHBondContact NH1-O 3.39Å; R458-V498 PolarHBondContact NH2-O 3.07Å; R458-D499 IonicContact NH1-OD1 3.61Å; R458-N842 VanDerWaalsContact CA-ND2 3.28Å; R458-N842 WeakPolarHBondContact CA-ND2 3.3Å; R458-N842 WeakPolarHBondContact CB-ND2 3.45Å; R458-N842 PolarHBondContact O-ND2 3.16Å |
| 459 | F | 80.9 | Confident | 75.8 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.009 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 150.6 | 178.4 | 178 | -120.9 | 0 | 0 | 0 | 109.7 | I461 A471 L472 N500 R839 A840 | F459-I461 HydrophobicContact CD1-CG2 4.35Å; F459-I461 HydrophobicContact CE1-CG2 3.26Å; F459-I461 HydrophobicContact CE2-CG2 4.47Å; F459-I461 HydrophobicContact CZ-CG2 3.31Å; F459-A471 CarbonylContact O-C 3.53Å; F459-A471 WeakPolarHBondContact O-CA 3.25Å; F459-L472 PolarHBondContact N-O 2.89Å; F459-L472 PolarHBondContact O-N 3.04Å; F459-N500 WeakPolarHBondContact CD1-OD1 3.37Å; F459-N500 WeakPolarHBondContact CE1-OD1 3.39Å; F459-R839 HydrophobicContact CE1-CG 4.24Å; F459-R839 VanDerWaalsContact CZ-CA 3.42Å; F459-A840 HydrophobicContact CD2-CB 4Å; F459-A840 VanDerWaalsContact CD2-O 3.32Å; F459-A840 WeakPolarHBondContact CD2-O 3.02Å; F459-A840 HydrophobicContact CE2-CB 3.6Å; F459-A840 WeakPolarHBondContact CG-O 3.34Å; F459-A840 HydrophobicContact CZ-CB 4.43Å |
| 460 | A | 87.3 | Confident | 78 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 145.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L410 V457 I469 V470 A471 | L410-A460 HydrophobicContact CD1-CB 4.37Å; L410-A460 HydrophobicContact CD2-CB 3.86Å; L410-A460 HydrophobicContact CG-CB 4.31Å; V457-A460 HydrophobicContact CG1-CB 4.08Å; A460-I469 HydrophobicContact CB-CG2 4.38Å; A460-V470 WeakPolarHBondContact CA-O 3.27Å; A460-A471 HydrophobicContact CB-CB 3.95Å |
| 461 | I | 90.2 | Very high | 80.1 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 158.6 | -177.7 | 57.8 | 166 | 0 | 0 | 0 | 112 | L410 F459 I469 V470 V501 P503 V511 T838 | L410-I461 VanDerWaalsContact CD2-C 3.47Å; F459-I461 HydrophobicContact CD1-CG2 4.35Å; F459-I461 HydrophobicContact CE1-CG2 3.26Å; F459-I461 HydrophobicContact CE2-CG2 4.47Å; F459-I461 HydrophobicContact CZ-CG2 3.31Å; I461-I469 CarbonylContact O-C 3.45Å; I461-I469 VanDerWaalsContact O-CA 3.24Å; I461-I469 WeakPolarHBondContact O-CA 3.35Å; I461-V470 HydrophobicContact CD1-CB 3.98Å; I461-V470 HydrophobicContact CD1-CG2 4.42Å; I461-V470 HydrophobicContact CG1-CB 3.67Å; I461-V470 HydrophobicContact CG1-CG2 4.38Å; I461-V470 WeakPolarHBondContact CG1-O 3.14Å; I461-V470 PolarHBondContact N-O 3.11Å; I461-V470 PolarHBondContact O-N 3.03Å; I461-V501 HydrophobicContact CD1-CB 3.87Å; I461-V501 HydrophobicContact CD1-CG1 3.53Å; I461-V501 HydrophobicContact CG1-CB 4.37Å; I461-V501 HydrophobicContact CG1-CG1 4.41Å; I461-V501 HydrophobicContact CG2-CB 4.46Å; I461-P503 HydrophobicContact CD1-CB 4.04Å; I461-P503 HydrophobicContact CD1-CG 4.08Å; I461-V511 HydrophobicContact CD1-CG1 4.25Å; I461-T838 WeakPolarHBondContact CG2-O 3.01Å |
| 462 | W | 91.5 | Very high | 82.6 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 153.8 | 154.3 | -56.9 | 99.6 | 0 | 0 | 0 | 110.1 | A401 W402 N408 L410 I420 D466 I469 P503 T838 | A401-W462 PolarHBondContact O-NE1 2.69Å; A401-W462 VanDerWaalsContact O-NE1 3.07Å; W402-W462 PolarHBondContact O-NE1 3.39Å; N408-W462 HydrophobicContact CB-CH2 3.66Å; N408-W462 HydrophobicContact CB-CZ2 3.68Å; L410-W462 HydrophobicContact CB-CZ2 3.99Å; I420-W462 HydrophobicContact CG2-CH2 3.72Å; I420-W462 HydrophobicContact CG2-CZ2 4.17Å; W462-D466 HydrophobicContact CE3-CB 3.86Å; W462-D466 HydrophobicContact CZ3-CB 4.21Å; W462-I469 HydrophobicContact CD2-CG1 4.48Å; W462-I469 HydrophobicContact CE3-CD1 4.34Å; W462-I469 HydrophobicContact CE3-CG1 3.93Å; W462-I469 HydrophobicContact CH2-CD1 4.35Å; W462-I469 HydrophobicContact CZ3-CD1 4.05Å; W462-I469 HydrophobicContact CZ3-CG1 4.12Å; W462-P503 WeakPolarHBondContact O-CG 3.27Å; W462-T838 PolarHBondContact N-OG1 3.4Å |
| 463 | N | 90.8 | Very high | 84.5 | Confident | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.011 | 16% | 0.157 | C | C | . | . | trans | -83.6 | 166.1 | 157.3 | 69.3 | -14 | 0 | 0 | 0 | 110.5 | N404 N465 D466 S467 L468 P508 | N404-N463 PolarHBondContact ND2-O 2.99Å; N463-N465 PolarHBondContact ND2-OD1 2.8Å; N463-N465 PolarHBondContact O-N 2.77Å; N463-N465 PolarHBondContact OD1-OD1 3.46Å; N463-D466 PolarHBondContact O-N 3.02Å; N463-D466 PolarHBondContact OD1-N 3.32Å; N463-S467 PolarHBondContact ND2-OG 2.82Å; N463-S467 PolarHBondContact OD1-N 2.74Å; N463-S467 PolarHBondContact OD1-OG 3.41Å; N463-L468 HydrophobicContact CB-CB 4.4Å; N463-L468 PolarHBondContact N-O 3.25Å; N463-L468 WeakPolarHBondContact ND2-CB 3.48Å; N463-L468 PolarHBondContact OD1-N 3.13Å; N463-L468 PolarHBondContact OD1-O 3.29Å; N463-P508 WeakPolarHBondContact ND2-CB 3.44Å; N463-P508 PolarHBondContact ND2-O 3.46Å | ||
| 464 | C | 84.4 | Confident | 85.7 | Confident | 13 Ų | 13 | 29.9 Ų | 29.9 | 9% | 0.088 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 3.4 | -169.8 | 73.3 | 0 | 0 | 0 | 0 | 116.5 | H504 | C464-H504 WeakPolarHBondContact CB-O 3.46Å; C464-H504 PolarHBondContact SG-O 3.48Å |
| 465 | N | 85.5 | Confident | 86.3 | Confident | 69 Ų | 69 | 21.7 Ų | 21.7 | 37% | 0.369 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -136.9 | 18.7 | 173.6 | 74.5 | -5.3 | 0 | 0 | 0 | 113.6 | N463 S467 P508 | N463-N465 PolarHBondContact ND2-OD1 2.8Å; N463-N465 PolarHBondContact O-N 2.77Å; N463-N465 PolarHBondContact OD1-OD1 3.46Å; N465-S467 PolarHBondContact O-N 3.19Å; N465-S467 WeakPolarHBondContact OD1-CB 3.39Å; N465-S467 PolarHBondContact OD1-N 3.01Å; N465-S467 PolarHBondContact OD1-OG 3.35Å; N465-P508 WeakPolarHBondContact OD1-CB 3.4Å |
| 466 | D | 89.7 | Confident | 86.7 | Confident | 17 Ų | 17 | 21.9 Ų | 21.9 | 9% | 0.091 | 11% | 0.112 | C | C | . | . | S | Bend | trans | 55.4 | 12.9 | 176.8 | -51.9 | -35.3 | 0 | 0 | 0 | 116.6 | N404 F405 W462 N463 S483 | N404-D466 WeakPolarHBondContact CA-OD2 3.37Å; N404-D466 WeakPolarHBondContact CB-OD1 3.41Å; N404-D466 VanDerWaalsContact CG-OD1 3.3Å; N404-D466 VanDerWaalsContact N-CG 3.29Å; N404-D466 PolarHBondContact N-OD1 3Å; N404-D466 PolarHBondContact N-OD2 2.99Å; N404-D466 PolarHBondContact ND2-OD1 2.75Å; F405-D466 PolarHBondContact N-OD2 3.29Å; W462-D466 HydrophobicContact CE3-CB 3.86Å; W462-D466 HydrophobicContact CZ3-CB 4.21Å; N463-D466 PolarHBondContact O-N 3.02Å; N463-D466 PolarHBondContact OD1-N 3.32Å; D466-S483 VanDerWaalsContact O-CB 3.22Å; D466-S483 WeakPolarHBondContact O-CB 3.35Å; D466-S483 PolarHBondContact O-OG 2.76Å |
| 467 | S | 92.1 | Very high | 86.9 | Confident | 44 Ų | 44 | 17.1 Ų | 17.1 | 31% | 0.308 | 9% | 0.094 | S | C | . | . | S | Bend | trans | -74.2 | -30.6 | 178.7 | 58.5 | 0 | 0 | 0 | 0 | 112.6 | N463 N465 S483 | N463-S467 PolarHBondContact ND2-OG 2.82Å; N463-S467 PolarHBondContact OD1-N 2.74Å; N463-S467 PolarHBondContact OD1-OG 3.41Å; N465-S467 PolarHBondContact O-N 3.19Å; N465-S467 WeakPolarHBondContact OD1-CB 3.39Å; N465-S467 PolarHBondContact OD1-N 3.01Å; N465-S467 PolarHBondContact OD1-OG 3.35Å; S467-S483 PolarHBondContact O-N 2.94Å; S467-S483 VanDerWaalsContact O-N 3.08Å; S467-S483 PolarHBondContact O-OG 2.75Å |
| 468 | L | 93.2 | Very high | 87.2 | Confident | 24 Ų | 24 | 16.9 Ų | 16.9 | 13% | 0.126 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 146.5 | -176.4 | -57.1 | 175.9 | 0 | 0 | 0 | 111.3 | N463 I480 F481 L489 I525 | N463-L468 HydrophobicContact CB-CB 4.4Å; N463-L468 PolarHBondContact N-O 3.25Å; N463-L468 WeakPolarHBondContact ND2-CB 3.48Å; N463-L468 PolarHBondContact OD1-N 3.13Å; N463-L468 PolarHBondContact OD1-O 3.29Å; L468-I480 HydrophobicContact CB-CG2 4.37Å; L468-I480 HydrophobicContact CD1-CG2 4.14Å; L468-I480 HydrophobicContact CD2-CG2 4.2Å; L468-I480 HydrophobicContact CG-CG2 4.49Å; L468-F481 WeakPolarHBondContact CA-O 3.41Å; L468-L489 HydrophobicContact CD2-CD1 3.56Å; L468-I525 HydrophobicContact CD1-CD1 3.66Å; L468-I525 HydrophobicContact CD1-CG1 4.36Å |
| 469 | I | 92.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 125.4 | 167.1 | -67.1 | 165.2 | 0 | 0 | 0 | 108.5 | L410 I420 L433 A460 I461 W462 I480 F481 | L410-I469 HydrophobicContact CD1-CD1 4.31Å; L410-I469 HydrophobicContact CD1-CG2 4.11Å; L410-I469 HydrophobicContact CD2-CG1 4.47Å; L410-I469 HydrophobicContact CD2-CG2 3.82Å; I420-I469 HydrophobicContact CD1-CD1 3.41Å; I420-I469 VanDerWaalsContact CD1-CD1 3.41Å; I420-I469 HydrophobicContact CG1-CD1 3.5Å; L433-I469 HydrophobicContact CD1-CD1 4.23Å; L433-I469 HydrophobicContact CD1-CG2 3.8Å; L433-I469 HydrophobicContact CD2-CD1 4.45Å; A460-I469 HydrophobicContact CB-CG2 4.38Å; I461-I469 CarbonylContact O-C 3.45Å; I461-I469 VanDerWaalsContact O-CA 3.24Å; I461-I469 WeakPolarHBondContact O-CA 3.35Å; W462-I469 HydrophobicContact CD2-CG1 4.48Å; W462-I469 HydrophobicContact CE3-CD1 4.34Å; W462-I469 HydrophobicContact CE3-CG1 3.93Å; W462-I469 HydrophobicContact CH2-CD1 4.35Å; W462-I469 HydrophobicContact CZ3-CD1 4.05Å; W462-I469 HydrophobicContact CZ3-CG1 4.12Å; I469-I480 WeakPolarHBondContact O-CA 3.44Å; I469-F481 HydrophobicContact CB-CB 4.49Å; I469-F481 PolarHBondContact N-O 3.47Å; I469-F481 PolarHBondContact O-N 2.85Å |
| 470 | V | 91.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 115.8 | -177.6 | -172.7 | 0 | 0 | 0 | 0 | 108.7 | A460 I461 I478 I480 V511 I525 | A460-V470 WeakPolarHBondContact CA-O 3.27Å; I461-V470 HydrophobicContact CD1-CB 3.98Å; I461-V470 HydrophobicContact CD1-CG2 4.42Å; I461-V470 HydrophobicContact CG1-CB 3.67Å; I461-V470 HydrophobicContact CG1-CG2 4.38Å; I461-V470 WeakPolarHBondContact CG1-O 3.14Å; I461-V470 PolarHBondContact N-O 3.11Å; I461-V470 PolarHBondContact O-N 3.03Å; V470-I478 HydrophobicContact CG1-CG2 3.38Å; V470-I480 HydrophobicContact CG1-CG1 4.24Å; V470-I480 HydrophobicContact CG2-CG1 4.35Å; V470-V511 HydrophobicContact CG2-CG1 4.27Å; V470-I525 HydrophobicContact CG2-CD1 3.71Å |
| 471 | A | 90.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 117.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V457 F459 A460 I478 R479 F481 | V457-A471 HydrophobicContact CG1-CB 4.14Å; V457-A471 HydrophobicContact CG2-CB 4.1Å; F459-A471 CarbonylContact O-C 3.53Å; F459-A471 WeakPolarHBondContact O-CA 3.25Å; A460-A471 HydrophobicContact CB-CB 3.95Å; A471-I478 WeakPolarHBondContact O-CA 3.42Å; A471-R479 PolarHBondContact N-O 2.91Å; A471-R479 PolarHBondContact O-N 2.94Å; A471-F481 HydrophobicContact CB-CE2 4.19Å |
| 472 | L | 87.7 | Confident | 88.7 | Confident | 4 Ų | 4 | 18 Ų | 18 | 2% | 0.021 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 137.9 | 165.5 | -77.4 | 169.7 | 0 | 0 | 0 | 110 | V457 R458 F459 I478 V498 V501 | V457-L472 CarbonylContact C-O 3.49Å; V457-L472 WeakPolarHBondContact CA-O 3.34Å; R458-L472 PolarHBondContact N-O 3.05Å; F459-L472 PolarHBondContact N-O 2.89Å; F459-L472 PolarHBondContact O-N 3.04Å; L472-I478 HydrophobicContact CD2-CG1 3.86Å; L472-V498 HydrophobicContact CD1-CG1 3.66Å; L472-V498 HydrophobicContact CD2-CB 4.04Å; L472-V498 HydrophobicContact CD2-CG1 3.67Å; L472-V498 HydrophobicContact CG-CG1 4.32Å; L472-V501 HydrophobicContact CD1-CG2 3.38Å; L472-V501 HydrophobicContact CD2-CG2 4.07Å; L472-V501 HydrophobicContact CG-CG2 3.37Å |
| 473 | C | 86.4 | Confident | 88.7 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 172.9 | 177 | -63.4 | 0 | 0 | 0 | 0 | 112.4 | R456 R458 D475 R477 R479 | R456-C473 CarbonylContact O-C 3.58Å; R456-C473 WeakPolarHBondContact O-CA 3.42Å; R458-C473 PolarHBondContact NE-O 3.31Å; R458-C473 PolarHBondContact NH2-O 3.35Å; R458-C473 VanDerWaalsContact NH2-O 3.13Å; C473-D475 WeakPolarHBondContact CB-OD1 3.07Å; C473-R477 WeakPolarHBondContact CB-O 3.43Å; C473-R477 PolarHBondContact N-O 3.35Å; C473-R479 PolarHBondContact SG-NH1 3.34Å |
| 474 | N | 82.6 | Confident | 88.7 | Confident | 22 Ų | 22 | 25.9 Ų | 25.9 | 12% | 0.118 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -78.4 | -15.5 | 175.7 | 66.6 | -33.7 | 0 | 0 | 0 | 114.1 | S453 R454 P455 R456 R458 C476 | S453-N474 PolarHBondContact OG-ND2 3.14Å; R454-N474 PolarHBondContact O-ND2 3.46Å; P455-N474 WeakPolarHBondContact CA-OD1 3.24Å; R456-N474 HydrophobicContact CB-CB 4.31Å; R456-N474 PolarHBondContact N-OD1 2.8Å; R456-N474 PolarHBondContact O-N 2.82Å; R456-N474 PolarHBondContact O-OD1 3.21Å; R458-N474 HydrophobicContact CG-CB 4.31Å; N474-C476 VanDerWaalsContact C-N 3.28Å; N474-C476 PolarHBondContact O-N 2.75Å |
| 475 | D | 79.5 | Confident | 89 | Confident | 46 Ų | 46 | 29 Ų | 29 | 25% | 0.246 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -93.6 | 27.6 | -179.9 | 63.4 | -17 | 0 | 0 | 0 | 112.2 | C473 R477 R479 | C473-D475 WeakPolarHBondContact CB-OD1 3.07Å; D475-R477 PolarHBondContact O-N 3.48Å; D475-R477 WeakPolarHBondContact OD2-CD 3.33Å; D475-R479 VanDerWaalsContact CG-NH1 3.31Å; D475-R479 IonicContact OD1-CZ 3.88Å; D475-R479 IonicContact OD1-NH1 2.73Å; D475-R479 PolarHBondContact OD1-NH1 3.03Å; D475-R479 IonicContact OD2-CZ 3.09Å; D475-R479 VanDerWaalsContact OD2-CZ 3.26Å; D475-R479 IonicContact OD2-NH1 2.67Å; D475-R479 PolarHBondContact OD2-NH1 2.98Å; D475-R479 IonicContact OD2-NH2 3.67Å; D475-R479 PolarHBondContact OD2-NH2 2.92Å |
| 476 | C | 81.1 | Confident | 89.2 | Confident | 46 Ų | 46 | 30 Ų | 30 | 31% | 0.311 | 15% | 0.152 | S | C | . | . | S | Bend | trans | 53.9 | 19.6 | -177.9 | -64.2 | 0 | 0 | 0 | 0 | 115.2 | N474 V494 | N474-C476 VanDerWaalsContact C-N 3.28Å; N474-C476 PolarHBondContact O-N 2.75Å; C476-V494 WeakPolarHBondContact CB-O 3.34Å; C476-V494 WeakPolarHBondContact O-CA 3.4Å; C476-V494 WeakPolarHBondContact O-CB 3.11Å; C476-V494 PolarHBondContact O-N 2.95Å; C476-V494 VanDerWaalsContact O-O 3.13Å |
| 477 | R | 85.7 | Confident | 89.3 | Confident | 30 Ų | 30 | 35.6 Ų | 35.6 | 11% | 0.113 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 142.9 | 177 | -74.8 | 164.4 | 166.7 | -136.2 | 5.9 | 112 | D442 S444 C473 D475 I492 I493 | D442-R477 IonicContact OD1-CZ 2.7Å; D442-R477 IonicContact OD1-NH1 3.11Å; D442-R477 PolarHBondContact OD1-NH1 2.72Å; D442-R477 IonicContact OD1-NH2 3.38Å; D442-R477 PolarHBondContact OD1-NH2 2.77Å; D442-R477 IonicContact OD2-CZ 3.76Å; D442-R477 IonicContact OD2-NH1 2.99Å; D442-R477 PolarHBondContact OD2-NH1 3.4Å; D442-R477 IonicContact OD2-NH2 3.96Å; S444-R477 PolarHBondContact OG-NH2 2.85Å; C473-R477 WeakPolarHBondContact CB-O 3.43Å; C473-R477 PolarHBondContact N-O 3.35Å; D475-R477 PolarHBondContact O-N 3.48Å; D475-R477 WeakPolarHBondContact OD2-CD 3.33Å; R477-I492 WeakPolarHBondContact CA-O 3.38Å; R477-I493 HydrophobicContact CG-CG1 4.29Å |
| 478 | I | 89.1 | Confident | 89.2 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 132.4 | 159.2 | -59.3 | 161.6 | 0 | 0 | 0 | 107.1 | V470 A471 L472 I480 C491 I492 V494 T513 | V470-I478 HydrophobicContact CG1-CG2 3.38Å; A471-I478 WeakPolarHBondContact O-CA 3.42Å; L472-I478 HydrophobicContact CD2-CG1 3.86Å; I478-I480 HydrophobicContact CG2-CG1 4.23Å; I478-C491 CarbonylContact O-C 3.51Å; I478-C491 WeakPolarHBondContact O-CA 3.42Å; I478-C491 PolarHBondContact O-SG 3.01Å; I478-C491 VanDerWaalsContact O-SG 3.36Å; I478-I492 HydrophobicContact CB-CB 4.28Å; I478-I492 PolarHBondContact N-O 3.38Å; I478-I492 PolarHBondContact O-N 2.66Å; I478-V494 HydrophobicContact CD1-CG2 3.59Å; I478-V494 HydrophobicContact CG1-CG2 3.75Å; I478-T513 HydrophobicContact CD1-CG2 4.01Å |
| 479 | R | 90.6 | Very high | 89 | Confident | 14 Ų | 14 | 37.3 Ų | 37.3 | 5% | 0.053 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 128.3 | 173 | -73.4 | 178.9 | 174.4 | 73.3 | 2.1 | 109.2 | V435 A471 C473 D475 F481 L488 | V435-R479 PolarHBondContact O-NE 2.92Å; A471-R479 PolarHBondContact N-O 2.91Å; A471-R479 PolarHBondContact O-N 2.94Å; C473-R479 PolarHBondContact SG-NH1 3.34Å; D475-R479 VanDerWaalsContact CG-NH1 3.31Å; D475-R479 IonicContact OD1-CZ 3.88Å; D475-R479 IonicContact OD1-NH1 2.73Å; D475-R479 PolarHBondContact OD1-NH1 3.03Å; D475-R479 IonicContact OD2-CZ 3.09Å; D475-R479 VanDerWaalsContact OD2-CZ 3.26Å; D475-R479 IonicContact OD2-NH1 2.67Å; D475-R479 PolarHBondContact OD2-NH1 2.98Å; D475-R479 IonicContact OD2-NH2 3.67Å; D475-R479 PolarHBondContact OD2-NH2 2.92Å; R479-F481 HydrophobicContact CB-CD2 4.38Å; R479-F481 HydrophobicContact CB-CE2 3.59Å; R479-F481 HydrophobicContact CB-CZ 4Å; R479-L488 HydrophobicContact CB-CD1 3.69Å; R479-L488 HydrophobicContact CG-CD1 4Å |
| 480 | I | 93.4 | Very high | 88.8 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.015 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 115.1 | -176.9 | -63.3 | 141.7 | 0 | 0 | 0 | 108.1 | L468 I469 V470 I478 L489 R490 I492 I525 | L468-I480 HydrophobicContact CB-CG2 4.37Å; L468-I480 HydrophobicContact CD1-CG2 4.14Å; L468-I480 HydrophobicContact CD2-CG2 4.2Å; L468-I480 HydrophobicContact CG-CG2 4.49Å; I469-I480 WeakPolarHBondContact O-CA 3.44Å; V470-I480 HydrophobicContact CG1-CG1 4.24Å; V470-I480 HydrophobicContact CG2-CG1 4.35Å; I478-I480 HydrophobicContact CG2-CG1 4.23Å; I480-L489 PolarHBondContact O-N 3.13Å; I480-R490 HydrophobicContact CB-CB 4.37Å; I480-R490 HydrophobicContact CD1-CB 3.9Å; I480-R490 HydrophobicContact CD1-CG 4.16Å; I480-R490 PolarHBondContact N-O 2.93Å; I480-R490 PolarHBondContact O-N 3.18Å; I480-I492 HydrophobicContact CD1-CD1 3.69Å; I480-I492 HydrophobicContact CD1-CG1 4.03Å; I480-I525 HydrophobicContact CD1-CB 3.75Å; I480-I525 HydrophobicContact CD1-CG2 4.08Å; I480-I525 HydrophobicContact CG1-CB 4.29Å |
| 481 | F | 93.1 | Very high | 88.6 | Confident | 1 Ų | 1 | 43 Ų | 43 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 141.6 | -178.8 | -60.5 | -92 | 0 | 0 | 0 | 110.8 | L433 L468 I469 A471 R479 S483 K487 L488 | L433-F481 HydrophobicContact CD1-CD2 4.45Å; L433-F481 HydrophobicContact CD2-CB 4.27Å; L433-F481 HydrophobicContact CD2-CG 4.32Å; L468-F481 WeakPolarHBondContact CA-O 3.41Å; I469-F481 HydrophobicContact CB-CB 4.49Å; I469-F481 PolarHBondContact N-O 3.47Å; I469-F481 PolarHBondContact O-N 2.85Å; A471-F481 HydrophobicContact CB-CE2 4.19Å; R479-F481 HydrophobicContact CB-CD2 4.38Å; R479-F481 HydrophobicContact CB-CE2 3.59Å; R479-F481 HydrophobicContact CB-CZ 4Å; F481-S483 PolarHBondContact O-N 3Å; F481-K487 WeakPolarHBondContact CA-O 3.21Å; F481-L488 HydrophobicContact CD1-CB 4.17Å; F481-L488 HydrophobicContact CD1-CD1 4.35Å; F481-L488 HydrophobicContact CE1-CB 4.03Å; F481-L488 HydrophobicContact CE1-CD1 4.07Å; F481-L488 HydrophobicContact CE2-CD1 4.44Å; F481-L488 HydrophobicContact CZ-CD1 4.12Å |
| 482 | D | 92.7 | Very high | 88.5 | Confident | 42 Ų | 42 | 43.4 Ų | 43.4 | 23% | 0.225 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 124.5 | 165.4 | 175.5 | -87.7 | 0 | 0 | 0 | 109.5 | K484 T485 R486 K487 L489 | D482-K484 VanDerWaalsContact C-N 3.26Å; D482-K484 PolarHBondContact O-N 3.17Å; D482-K484 PolarHBondContact OD1-N 3.38Å; D482-K484 VanDerWaalsContact OD1-N 3.14Å; D482-T485 WeakPolarHBondContact CB-OG1 3.49Å; D482-T485 VanDerWaalsContact CG-OG1 3.24Å; D482-T485 WeakPolarHBondContact OD1-CB 3.41Å; D482-T485 WeakPolarHBondContact OD1-CG2 3.27Å; D482-T485 PolarHBondContact OD1-N 3.29Å; D482-T485 PolarHBondContact OD1-OG1 2.9Å; D482-R486 VanDerWaalsContact O-CA 3.23Å; D482-R486 WeakPolarHBondContact O-CA 3.3Å; D482-R486 PolarHBondContact O-N 3.31Å; D482-K487 PolarHBondContact N-O 3.5Å; D482-L489 HydrophobicContact CB-CD1 3.98Å; D482-L489 HydrophobicContact CB-CD2 4.07Å; D482-L489 HydrophobicContact CB-CG 3.99Å |
| 483 | S | 91.2 | Very high | 88.3 | Confident | 4 Ų | 4 | 48.7 Ų | 48.7 | 3% | 0.028 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -21.5 | -171.2 | 71.3 | 0 | 0 | 0 | 0 | 114 | I420 R422 D466 S467 F481 | I420-S483 WeakPolarHBondContact CD1-O 3.21Å; R422-S483 PolarHBondContact NH2-O 2.88Å; D466-S483 VanDerWaalsContact O-CB 3.22Å; D466-S483 WeakPolarHBondContact O-CB 3.35Å; D466-S483 PolarHBondContact O-OG 2.76Å; S467-S483 PolarHBondContact O-N 2.94Å; S467-S483 VanDerWaalsContact O-N 3.08Å; S467-S483 PolarHBondContact O-OG 2.75Å; F481-S483 PolarHBondContact O-N 3Å |
| 484 | K | 89.9 | Confident | 87.9 | Confident | 164 Ų | 164 | 49.1 Ų | 49.1 | 71% | 0.713 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -46.1 | -175.6 | -63.6 | -173.4 | 179 | -175.9 | 0 | 111.7 | D482 | D482-K484 VanDerWaalsContact C-N 3.26Å; D482-K484 PolarHBondContact O-N 3.17Å; D482-K484 PolarHBondContact OD1-N 3.38Å; D482-K484 VanDerWaalsContact OD1-N 3.14Å |
| 485 | T | 90.8 | Very high | 87 | Confident | 80 Ų | 80 | 52.4 Ų | 52.4 | 49% | 0.491 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -18.6 | -177 | 66.1 | 0 | 0 | 0 | 0 | 113.7 | D482 K487 | D482-T485 WeakPolarHBondContact CB-OG1 3.49Å; D482-T485 VanDerWaalsContact CG-OG1 3.24Å; D482-T485 WeakPolarHBondContact OD1-CB 3.41Å; D482-T485 WeakPolarHBondContact OD1-CG2 3.27Å; D482-T485 PolarHBondContact OD1-N 3.29Å; D482-T485 PolarHBondContact OD1-OG1 2.9Å; T485-K487 PolarHBondContact O-N 3.42Å |
| 486 | R | 90.9 | Very high | 86.3 | Confident | 88 Ų | 88 | 52.1 Ų | 52.1 | 33% | 0.332 | 26% | 0.263 | S | S | . | . | trans | 63.5 | 22.4 | 179.3 | -49.3 | 168.9 | -61.9 | 140.2 | -9.6 | 113.7 | I420 L432 L433 Q437 D482 | I420-R486 HydrophobicContact CD1-CG 4.32Å; L432-R486 PolarHBondContact O-NH1 3.41Å; L432-R486 VanDerWaalsContact O-NH1 3.12Å; L433-R486 HydrophobicContact CD2-CB 4.12Å; L433-R486 HydrophobicContact CD2-CG 4.24Å; Q437-R486 PolarHBondContact NE2-O 3.4Å; D482-R486 VanDerWaalsContact O-CA 3.23Å; D482-R486 WeakPolarHBondContact O-CA 3.3Å; D482-R486 PolarHBondContact O-N 3.31Å | ||
| 487 | K | 90.3 | Very high | 85.6 | Confident | 136 Ų | 136 | 53.8 Ų | 53.8 | 59% | 0.591 | 27% | 0.272 | S | S | * | . | trans | -84.4 | 136.8 | 173.1 | -67.2 | -175.1 | 175.7 | -172.6 | 0 | 109.8 | F481 D482 T485 L489 | F481-K487 WeakPolarHBondContact CA-O 3.21Å; D482-K487 PolarHBondContact N-O 3.5Å; T485-K487 PolarHBondContact O-N 3.42Å; K487-L489 PolarHBondContact O-N 3.48Å | ||
| 488 | L | 90.3 | Very high | 85.1 | Confident | 14 Ų | 14 | 52.4 Ų | 52.4 | 7% | 0.073 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 120.9 | 165.6 | -177 | 68.4 | 0 | 0 | 0 | 108.5 | Q437 L439 R479 F481 R490 | Q437-L488 HydrophobicContact CB-CB 3.99Å; Q437-L488 HydrophobicContact CB-CD2 4.35Å; Q437-L488 WeakPolarHBondContact O-CD2 3.23Å; L439-L488 HydrophobicContact CD1-CD2 4.49Å; L439-L488 HydrophobicContact CD2-CD2 4.32Å; L439-L488 HydrophobicContact CD2-CG 4.19Å; L439-L488 WeakPolarHBondContact CD2-O 3.48Å; L439-L488 HydrophobicContact CG-CD2 3.97Å; L439-L488 HydrophobicContact CG-CG 4.29Å; R479-L488 HydrophobicContact CB-CD1 3.69Å; R479-L488 HydrophobicContact CG-CD1 4Å; F481-L488 HydrophobicContact CD1-CB 4.17Å; F481-L488 HydrophobicContact CD1-CD1 4.35Å; F481-L488 HydrophobicContact CE1-CB 4.03Å; F481-L488 HydrophobicContact CE1-CD1 4.07Å; F481-L488 HydrophobicContact CE2-CD1 4.44Å; F481-L488 HydrophobicContact CZ-CD1 4.12Å; L488-R490 WeakPolarHBondContact CD1-O 3.26Å |
| 489 | L | 89.7 | Confident | 84.5 | Confident | 90 Ų | 90 | 55.4 Ų | 55.4 | 47% | 0.471 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | -42.6 | 176.6 | -62.2 | -174.4 | 0 | 0 | 0 | 111.8 | L468 I480 D482 K487 | L468-L489 HydrophobicContact CD2-CD1 3.56Å; I480-L489 PolarHBondContact O-N 3.13Å; D482-L489 HydrophobicContact CB-CD1 3.98Å; D482-L489 HydrophobicContact CB-CD2 4.07Å; D482-L489 HydrophobicContact CB-CG 3.99Å; K487-L489 PolarHBondContact O-N 3.48Å |
| 490 | R | 88.5 | Confident | 84 | Confident | 90 Ų | 90 | 55.8 Ų | 55.8 | 34% | 0.34 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 145.8 | -177.3 | -174.8 | 175.2 | -67.1 | -76 | 5.1 | 110.8 | I480 L488 I492 I525 A526 E527 | I480-R490 HydrophobicContact CB-CB 4.37Å; I480-R490 HydrophobicContact CD1-CB 3.9Å; I480-R490 HydrophobicContact CD1-CG 4.16Å; I480-R490 PolarHBondContact N-O 2.93Å; I480-R490 PolarHBondContact O-N 3.18Å; L488-R490 WeakPolarHBondContact CD1-O 3.26Å; R490-I492 HydrophobicContact CG-CG1 4.1Å; R490-I525 WeakPolarHBondContact CD-O 3.41Å; R490-A526 VanDerWaalsContact CZ-O 3.24Å; R490-A526 PolarHBondContact NE-O 3.17Å; R490-A526 PolarHBondContact NH2-O 3.45Å; R490-E527 PolarHBondContact NH1-O 3.18Å; R490-E527 PolarHBondContact NH2-O 3.12Å |
| 491 | C | 87.8 | Confident | 83.8 | Confident | 28 Ų | 28 | 55.7 Ų | 55.7 | 19% | 0.189 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 136.7 | 164.2 | -168.1 | 0 | 0 | 0 | 0 | 108.8 | L439 I478 | L439-C491 HydrophobicContact CD1-CB 4.3Å; I478-C491 CarbonylContact O-C 3.51Å; I478-C491 WeakPolarHBondContact O-CA 3.42Å; I478-C491 PolarHBondContact O-SG 3.01Å; I478-C491 VanDerWaalsContact O-SG 3.36Å |
| 492 | I | 87.7 | Confident | 83.6 | Confident | 9 Ų | 9 | 55.7 Ų | 55.7 | 5% | 0.046 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 127.3 | 177.8 | -55.2 | 175.5 | 0 | 0 | 0 | 107.3 | R477 I478 I480 R490 W523 I525 | R477-I492 WeakPolarHBondContact CA-O 3.38Å; I478-I492 HydrophobicContact CB-CB 4.28Å; I478-I492 PolarHBondContact N-O 3.38Å; I478-I492 PolarHBondContact O-N 2.66Å; I480-I492 HydrophobicContact CD1-CD1 3.69Å; I480-I492 HydrophobicContact CD1-CG1 4.03Å; R490-I492 HydrophobicContact CG-CG1 4.1Å; I492-W523 HydrophobicContact CG2-CE3 3.73Å; I492-W523 HydrophobicContact CG2-CH2 4.04Å; I492-W523 HydrophobicContact CG2-CZ3 3.45Å; I492-W523 VanDerWaalsContact CG2-CZ3 3.45Å; I492-I525 HydrophobicContact CD1-CG2 4.32Å |
| 493 | I | 83.6 | Confident | 83.5 | Confident | 116 Ų | 116 | 53.8 Ų | 53.8 | 60% | 0.595 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 127.8 | 175.9 | -58.1 | 174.7 | 0 | 0 | 0 | 108.4 | R477 | R477-I493 HydrophobicContact CG-CG1 4.29Å |
| 494 | V | 76.9 | Confident | 83.4 | Confident | 9 Ų | 9 | 53.6 Ų | 53.6 | 6% | 0.055 | 27% | 0.274 | C | S | . | . | trans | -106.9 | 151.2 | 169.2 | -165 | 0 | 0 | 0 | 0 | 108.3 | C476 I478 T496 V498 W523 | C476-V494 WeakPolarHBondContact CB-O 3.34Å; C476-V494 WeakPolarHBondContact O-CA 3.4Å; C476-V494 WeakPolarHBondContact O-CB 3.11Å; C476-V494 PolarHBondContact O-N 2.95Å; C476-V494 VanDerWaalsContact O-O 3.13Å; I478-V494 HydrophobicContact CD1-CG2 3.59Å; I478-V494 HydrophobicContact CG1-CG2 3.75Å; V494-T496 VanDerWaalsContact C-N 3.27Å; V494-T496 PolarHBondContact O-N 2.77Å; V494-V498 HydrophobicContact CG1-CG2 3.68Å; V494-W523 HydrophobicContact CG1-CZ2 4.11Å; V494-W523 HydrophobicContact CG2-CH2 4.28Å; V494-W523 HydrophobicContact CG2-CZ2 3.94Å | ||
| 495 | S | 64.6 | Low | 83.1 | Confident | 91 Ų | 91 | 46.4 Ų | 46.4 | 64% | 0.636 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -76.5 | -13.5 | -173.3 | 23 | 0 | 0 | 0 | 0 | 114.1 | ||
| 496 | T | 64.9 | Low | 82.5 | Confident | 39 Ų | 39 | 45 Ų | 45 | 24% | 0.239 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -159.6 | 172.2 | -145.1 | 35.5 | 0 | 0 | 0 | 0 | 113.5 | V494 V498 D517 | V494-T496 VanDerWaalsContact C-N 3.27Å; V494-T496 PolarHBondContact O-N 2.77Å; T496-V498 VanDerWaalsContact C-N 3.28Å; T496-V498 PolarHBondContact O-N 2.81Å; T496-D517 VanDerWaalsContact CB-CB 3.41Å; T496-D517 VanDerWaalsContact CB-OD2 3.24Å; T496-D517 WeakPolarHBondContact CB-OD2 3.46Å; T496-D517 HydrophobicContact CG2-CB 3.81Å; T496-D517 PolarHBondContact OG1-OD2 3.44Å |
| 497 | T | 66.9 | Low | 82.3 | Confident | 81 Ų | 81 | 41 Ų | 41 | 50% | 0.497 | 22% | 0.221 | S | C | . | . | trans | -76 | 70.5 | 177.2 | 44.3 | 0 | 0 | 0 | 0 | 112.7 | G516 | T497-G516 PolarHBondContact O-N 3.49Š| ||
| 498 | V | 75.3 | Confident | 82.2 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 134.2 | 160.9 | 172.7 | 0 | 0 | 0 | 0 | 108.9 | R458 L472 V494 T496 T513 H514 | R458-V498 PolarHBondContact NH1-O 3.39Å; R458-V498 PolarHBondContact NH2-O 3.07Å; L472-V498 HydrophobicContact CD1-CG1 3.66Å; L472-V498 HydrophobicContact CD2-CB 4.04Å; L472-V498 HydrophobicContact CD2-CG1 3.67Å; L472-V498 HydrophobicContact CG-CG1 4.32Å; V494-V498 HydrophobicContact CG1-CG2 3.68Å; T496-V498 VanDerWaalsContact C-N 3.28Å; T496-V498 PolarHBondContact O-N 2.81Å; V498-T513 HydrophobicContact CG1-CG2 4.11Å; V498-H514 WeakPolarHBondContact CG1-O 3.48Å |
| 499 | D | 74.5 | Confident | 82.2 | Confident | 63 Ų | 63 | 38.5 Ų | 38.5 | 34% | 0.337 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | -19.5 | -179.4 | -65.7 | -51.8 | 0 | 0 | 0 | 113.2 | R458 H514 G515 G516 | R458-D499 IonicContact NH1-OD1 3.61Å; D499-H514 PolarHBondContact N-O 3.33Å; D499-G515 VanDerWaalsContact OD2-CA 3.29Å; D499-G515 WeakPolarHBondContact OD2-CA 3.35Å; D499-G516 PolarHBondContact OD2-N 3.02Å |
| 500 | N | 81.5 | Confident | 82.3 | Confident | 23 Ų | 23 | 34.2 Ų | 34.2 | 12% | 0.123 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 150 | -170.8 | -138.6 | -24.4 | 0 | 0 | 0 | 114.1 | F459 H514 R839 | F459-N500 WeakPolarHBondContact CD1-OD1 3.37Å; F459-N500 WeakPolarHBondContact CE1-OD1 3.39Å; N500-H514 PolarHBondContact N-O 3.33Å; N500-H514 PolarHBondContact O-N 3.32Å; N500-R839 VanDerWaalsContact C-NH2 3.26Å; N500-R839 VanDerWaalsContact CG-NE 3.25Å; N500-R839 PolarHBondContact O-NH2 2.98Å; N500-R839 VanDerWaalsContact OD1-CD 3.22Å; N500-R839 WeakPolarHBondContact OD1-CD 3.48Å; N500-R839 WeakPolarHBondContact OD1-CG 3.48Å; N500-R839 PolarHBondContact OD1-NE 2.8Å; N500-R839 VanDerWaalsContact OD1-NE 3.16Å |
| 501 | V | 87.9 | Confident | 82.4 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 133.6 | 175.6 | -162.3 | 0 | 0 | 0 | 0 | 111.1 | I461 L472 V511 M512 T513 R839 | I461-V501 HydrophobicContact CD1-CB 3.87Å; I461-V501 HydrophobicContact CD1-CG1 3.53Å; I461-V501 HydrophobicContact CG1-CB 4.37Å; I461-V501 HydrophobicContact CG1-CG1 4.41Å; I461-V501 HydrophobicContact CG2-CB 4.46Å; L472-V501 HydrophobicContact CD1-CG2 3.38Å; L472-V501 HydrophobicContact CD2-CG2 4.07Å; L472-V501 HydrophobicContact CG-CG2 3.37Å; V501-V511 HydrophobicContact CG1-CB 3.76Å; V501-V511 HydrophobicContact CG1-CG1 4.41Å; V501-V511 HydrophobicContact CG1-CG2 3.81Å; V501-M512 CarbonylContact C-O 3.58Å; V501-M512 VanDerWaalsContact CA-O 3.27Å; V501-M512 WeakPolarHBondContact CA-O 3.39Å; V501-M512 WeakPolarHBondContact CG1-O 3.42Å; V501-T513 HydrophobicContact CG1-CG2 4.18Å; V501-T513 HydrophobicContact CG2-CG2 4.28Å; V501-R839 WeakPolarHBondContact O-CG 3.49Å; V501-R839 PolarHBondContact O-NE 3.28Å |
| 502 | V | 89 | Confident | 82.6 | Confident | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.012 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 123.4 | 171.4 | 132 | 0 | 0 | 0 | 0 | 107.9 | V511 M512 L550 F551 V837 R839 | V502-V511 CarbonylContact O-C 3.56Å; V502-V511 WeakPolarHBondContact O-CA 3.47Å; V502-M512 HydrophobicContact CB-CB 4.26Å; V502-M512 HydrophobicContact CB-CE 4.02Å; V502-M512 HydrophobicContact CG1-CB 4.05Å; V502-M512 HydrophobicContact CG1-CE 3.53Å; V502-M512 PolarHBondContact N-O 3.15Å; V502-M512 PolarHBondContact O-N 2.94Å; V502-L550 HydrophobicContact CG2-CD2 4.29Å; V502-F551 HydrophobicContact CG1-CD2 3.56Å; V502-F551 HydrophobicContact CG1-CE2 3.64Å; V502-V837 HydrophobicContact CB-CG1 4.29Å; V502-V837 HydrophobicContact CG1-CG1 4.05Å; V502-V837 HydrophobicContact CG2-CG1 3.69Å; V502-R839 VanDerWaalsContact CG2-CD 3.5Å; V502-R839 HydrophobicContact CG2-CG 3.87Å; V502-R839 VanDerWaalsContact CG2-NH1 3.31Å |
| 503 | P | 90.9 | Very high | 82.8 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 152.5 | 167.8 | 29.1 | -33.6 | 0 | 0 | 0 | 111 | I461 W462 V837 | I461-P503 HydrophobicContact CD1-CB 4.04Å; I461-P503 HydrophobicContact CD1-CG 4.08Å; W462-P503 WeakPolarHBondContact O-CG 3.27Å; P503-V837 HydrophobicContact CG-CB 4.09Å; P503-V837 HydrophobicContact CG-CG1 3.93Å; P503-V837 HydrophobicContact CG-CG2 4.05Å; P503-V837 WeakPolarHBondContact O-CG2 3.38Å |
| 504 | H | 89.8 | Confident | 83 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -76.4 | 134.9 | 174.5 | 179.5 | -88 | 0 | 0 | 0 | 110.6 | M195 C464 V506 D507 V510 F551 G555 | M195-H504 VanDerWaalsContact CG-CE1 3.5Å; M195-H504 WeakPolarHBondContact CG-CE1 3.37Å; C464-H504 WeakPolarHBondContact CB-O 3.46Å; C464-H504 PolarHBondContact SG-O 3.48Å; H504-V506 PolarHBondContact ND1-N 3.17Å; H504-V506 PolarHBondContact O-N 3.23Å; H504-V506 VanDerWaalsContact O-N 3.09Å; H504-D507 HydrophobicContact CB-CB 4.4Å; H504-D507 VanDerWaalsContact ND1-CB 3.25Å; H504-D507 WeakPolarHBondContact ND1-CB 3.49Å; H504-D507 PolarHBondContact ND1-N 3.11Å; H504-V510 HydrophobicContact CB-CB 3.68Å; H504-V510 HydrophobicContact CB-CG1 3.73Å; H504-V510 WeakPolarHBondContact CB-O 3.25Å; H504-V510 PolarHBondContact N-O 3.03Å; H504-F551 HydrophobicContact CB-CE2 4.01Å; H504-F551 HydrophobicContact CB-CZ 4.23Å; H504-F551 AromaticContact CD2-CD1 3.91Å; H504-F551 AromaticContact CD2-CE1 3.62Å; H504-F551 AromaticContact CD2-CZ 3.69Å; H504-G555 VanDerWaalsContact NE2-CA 3.31Å; H504-G555 WeakPolarHBondContact NE2-CA 3.48Å; H504-G555 PolarHBondContact NE2-O 2.98Å | ||
| 505 | P | 82.7 | Confident | 82.8 | Confident | 13 Ų | 13 | 22.5 Ų | 22.5 | 8% | 0.084 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -63.4 | -23.3 | -168.3 | 21.7 | -33 | 0 | 0 | 0 | 115 | F551 T835 V837 | P505-F551 HydrophobicContact CG-CB 4.14Å; P505-T835 HydrophobicContact CB-CG2 3.92Å; P505-V837 HydrophobicContact CB-CG2 4.36Å |
| 506 | V | 78.6 | Confident | 83.1 | Confident | 52 Ų | 52 | 19.9 Ų | 19.9 | 32% | 0.315 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -120.8 | -11.9 | -173.3 | -169.9 | 0 | 0 | 0 | 0 | 113.4 | A191 Q192 H504 | A191-V506 HydrophobicContact CB-CG1 3.87Å; Q192-V506 WeakPolarHBondContact CG-O 3.35Å; H504-V506 PolarHBondContact ND1-N 3.17Å; H504-V506 PolarHBondContact O-N 3.23Å; H504-V506 VanDerWaalsContact O-N 3.09Å |
| 507 | D | 86.1 | Confident | 83.4 | Confident | 4 Ų | 4 | 18.8 Ų | 18.8 | 2% | 0.021 | 11% | 0.113 | C | C | . | . | trans | -127.2 | 106.4 | -170 | -166.7 | -28.1 | 0 | 0 | 0 | 110.4 | M195 H504 E509 V510 | M195-D507 HydrophobicContact CG-CB 4.48Å; H504-D507 HydrophobicContact CB-CB 4.4Å; H504-D507 VanDerWaalsContact ND1-CB 3.25Å; H504-D507 WeakPolarHBondContact ND1-CB 3.49Å; H504-D507 PolarHBondContact ND1-N 3.11Å; D507-E509 PolarHBondContact O-N 2.87Å; D507-E509 PolarHBondContact OD1-N 2.92Å; D507-V510 HydrophobicContact CB-CB 4.18Å; D507-V510 HydrophobicContact CB-CG2 4Å; D507-V510 PolarHBondContact O-N 2.95Å | ||
| 508 | P | 88.8 | Confident | 83.8 | Confident | 14 Ų | 14 | 16.4 Ų | 16.4 | 9% | 0.091 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -8 | -173.6 | 31.8 | -36.7 | 0 | 0 | 0 | 113.2 | N463 N465 | N463-P508 WeakPolarHBondContact ND2-CB 3.44Å; N463-P508 PolarHBondContact ND2-O 3.46Å; N465-P508 WeakPolarHBondContact OD1-CB 3.4Å |
| 509 | E | 90.5 | Very high | 84.3 | Confident | 82 Ų | 82 | 18.8 Ų | 18.8 | 38% | 0.383 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 7.3 | 178 | -59.3 | -172.8 | 171.4 | 0 | 0 | 112.7 | K196 D507 D524 I525 A526 | K196-E509 WeakPolarHBondContact CE-OE2 3.39Å; K196-E509 IonicContact NZ-OE2 3.53Å; K196-E509 PolarHBondContact NZ-OE2 3.39Å; D507-E509 PolarHBondContact O-N 2.87Å; D507-E509 PolarHBondContact OD1-N 2.92Å; E509-D524 CarbonylContact O-C 3.54Å; E509-D524 WeakPolarHBondContact O-CA 3.32Å; E509-I525 WeakPolarHBondContact O-CG1 3.03Å; E509-I525 PolarHBondContact O-N 2.81Å; E509-A526 HydrophobicContact CB-CB 4.09Å; E509-A526 VanDerWaalsContact CD-CB 3.47Å; E509-A526 HydrophobicContact CG-CB 3.92Å; E509-A526 WeakPolarHBondContact OE2-CB 3.38Å |
| 510 | V | 91 | Very high | 85 | Confident | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.006 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 132.1 | -179.5 | 178.5 | 0 | 0 | 0 | 0 | 112 | K196 I199 H504 D507 W523 L531 | K196-V510 HydrophobicContact CG-CG2 4.06Å; I199-V510 HydrophobicContact CD1-CG1 3.76Å; I199-V510 HydrophobicContact CD1-CG2 4.26Å; H504-V510 HydrophobicContact CB-CB 3.68Å; H504-V510 HydrophobicContact CB-CG1 3.73Å; H504-V510 WeakPolarHBondContact CB-O 3.25Å; H504-V510 PolarHBondContact N-O 3.03Å; D507-V510 HydrophobicContact CB-CB 4.18Å; D507-V510 HydrophobicContact CB-CG2 4Å; D507-V510 PolarHBondContact O-N 2.95Å; V510-W523 WeakPolarHBondContact CA-O 3.29Å; V510-L531 HydrophobicContact CG1-CD1 4.36Å; V510-L531 HydrophobicContact CG2-CD1 3.78Å |
| 511 | V | 91.9 | Very high | 85.5 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 148.9 | 170.7 | -50.1 | 0 | 0 | 0 | 0 | 112.6 | I461 V470 V501 V502 L522 W523 I525 | I461-V511 HydrophobicContact CD1-CG1 4.25Å; V470-V511 HydrophobicContact CG2-CG1 4.27Å; V501-V511 HydrophobicContact CG1-CB 3.76Å; V501-V511 HydrophobicContact CG1-CG1 4.41Å; V501-V511 HydrophobicContact CG1-CG2 3.81Å; V502-V511 CarbonylContact O-C 3.56Å; V502-V511 WeakPolarHBondContact O-CA 3.47Å; V511-L522 WeakPolarHBondContact O-CA 3.12Å; V511-W523 HydrophobicContact CG2-CB 4.2Å; V511-W523 PolarHBondContact N-O 3.37Å; V511-W523 VanDerWaalsContact N-O 3.17Å; V511-W523 PolarHBondContact O-N 3.49Å; V511-I525 HydrophobicContact CB-CG2 4.45Å; V511-I525 HydrophobicContact CG1-CD1 4.11Å; V511-I525 HydrophobicContact CG1-CG2 4.07Å; V511-I525 HydrophobicContact CG2-CG2 3.63Å |
| 512 | M | 92.2 | Very high | 85.8 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 135.9 | 171.5 | 178 | 164.4 | 48.3 | 0 | 0 | 111.4 | V501 V502 L520 V521 L522 A549 F551 L558 | V501-M512 CarbonylContact C-O 3.58Å; V501-M512 VanDerWaalsContact CA-O 3.27Å; V501-M512 WeakPolarHBondContact CA-O 3.39Å; V501-M512 WeakPolarHBondContact CG1-O 3.42Å; V502-M512 HydrophobicContact CB-CB 4.26Å; V502-M512 HydrophobicContact CB-CE 4.02Å; V502-M512 HydrophobicContact CG1-CB 4.05Å; V502-M512 HydrophobicContact CG1-CE 3.53Å; V502-M512 PolarHBondContact N-O 3.15Å; V502-M512 PolarHBondContact O-N 2.94Å; M512-L520 HydrophobicContact CG-CD2 4.27Å; M512-L520 HydrophobicContact CG-CG 4.27Å; M512-L520 HydrophobicContact SD-CD1 3.77Å; M512-L520 HydrophobicContact SD-CD2 3.83Å; M512-L520 HydrophobicContact SD-CG 3.82Å; M512-V521 CarbonylContact C-O 3.57Å; M512-V521 WeakPolarHBondContact CA-O 3.35Å; M512-L522 HydrophobicContact CB-CD2 3.39Å; M512-L522 HydrophobicContact CG-CD2 3.65Å; M512-L522 HydrophobicContact SD-CD2 4.1Å; M512-A549 HydrophobicContact CE-CB 3.94Å; M512-A549 VanDerWaalsContact CE-O 3.28Å; M512-A549 WeakPolarHBondContact CE-O 3.47Å; M512-A549 HydrophobicContact SD-CB 3.95Å; M512-F551 HydrophobicContact CB-CE2 4.03Å; M512-F551 HydrophobicContact CB-CZ 4.2Å; M512-F551 HydrophobicContact CE-CD2 4.32Å; M512-F551 HydrophobicContact CE-CE2 4.26Å; M512-L558 HydrophobicContact SD-CD1 4.28Å; M512-L558 HydrophobicContact SD-CD2 3.86Å |
| 513 | T | 90.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 145.2 | 169.6 | 60.3 | 0 | 0 | 0 | 0 | 112.1 | I478 V498 V501 V521 W523 | I478-T513 HydrophobicContact CD1-CG2 4.01Å; V498-T513 HydrophobicContact CG1-CG2 4.11Å; V501-T513 HydrophobicContact CG1-CG2 4.18Å; V501-T513 HydrophobicContact CG2-CG2 4.28Å; T513-V521 PolarHBondContact N-O 2.79Å; T513-V521 PolarHBondContact O-N 2.68Å; T513-W523 PolarHBondContact OG1-NE1 3.39Å |
| 514 | H | 87.6 | Confident | 86 | Confident | 4 Ų | 4 | 15.8 Ų | 15.8 | 2% | 0.019 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 163.3 | 168.4 | 57.9 | 64.4 | 0 | 0 | 0 | 111.5 | V498 D499 N500 F519 I546 A549 R839 | V498-H514 WeakPolarHBondContact CG1-O 3.48Å; D499-H514 PolarHBondContact N-O 3.33Å; N500-H514 PolarHBondContact N-O 3.33Å; N500-H514 PolarHBondContact O-N 3.32Å; H514-F519 WeakPolarHBondContact CA-O 3.46Å; H514-F519 WeakPolarHBondContact CB-O 3.19Å; H514-I546 HydrophobicContact CB-CB 4.13Å; H514-I546 HydrophobicContact CB-CD1 3.73Å; H514-I546 HydrophobicContact CB-CG2 4Å; H514-I546 VanDerWaalsContact CG-CG2 3.49Å; H514-A549 PolarHBondContact NE2-N 2.92Å; H514-R839 PolarHBondContact CD2-NH2 2.76Å; H514-R839 VanDerWaalsContact NE2-CZ 3.27Å; H514-R839 PolarHBondContact NE2-NH1 3.19Å; H514-R839 PolarHBondContact NE2-NH2 3.35Å; H514-R839 VanDerWaalsContact NE2-NH2 3.1Å |
| 515 | G | 73.9 | Confident | 86.1 | Confident | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.2 | -155.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D499 D517 | D499-G515 VanDerWaalsContact OD2-CA 3.29Å; D499-G515 WeakPolarHBondContact OD2-CA 3.35Å; G515-D517 PolarHBondContact N-OD1 3.15Å; G515-D517 PolarHBondContact O-N 2.85Å |
| 516 | G | 69.6 | Low | 86.3 | Confident | 36 Ų | 36 | 17.2 Ų | 17.2 | 37% | 0.371 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | 37.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | T497 D499 | T497-G516 PolarHBondContact O-N 3.49Å; D499-G516 PolarHBondContact OD2-N 3.02Å |
| 517 | D | 71.2 | Confident | 86.6 | Confident | 16 Ų | 16 | 18.8 Ų | 18.8 | 9% | 0.086 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | 11.6 | 180 | 75 | -31.7 | 0 | 0 | 0 | 113.8 | T496 G515 F519 | T496-D517 VanDerWaalsContact CB-CB 3.41Å; T496-D517 VanDerWaalsContact CB-OD2 3.24Å; T496-D517 WeakPolarHBondContact CB-OD2 3.46Å; T496-D517 HydrophobicContact CG2-CB 3.81Å; T496-D517 PolarHBondContact OG1-OD2 3.44Å; G515-D517 PolarHBondContact N-OD1 3.15Å; G515-D517 PolarHBondContact O-N 2.85Å; D517-F519 WeakPolarHBondContact O-CD2 3.21Å; D517-F519 PolarHBondContact O-N 2.88Å; D517-F519 VanDerWaalsContact O-N 3.09Å |
| 518 | D | 76.1 | Confident | 86.6 | Confident | 32 Ų | 32 | 19.7 Ų | 19.7 | 17% | 0.171 | 12% | 0.116 | C | C | . | . | S | Bend | trans | 56.8 | 19 | 178.3 | -51.1 | -5.6 | 0 | 0 | 0 | 114.8 | K535 L536 N537 | D518-K535 CarbonylContact O-C 3.54Å; D518-K535 WeakPolarHBondContact O-CA 3.49Å; D518-L536 HydrophobicContact CB-CD1 4.43Å; D518-L536 PolarHBondContact O-N 3.19Å; D518-N537 PolarHBondContact OD2-ND2 3.35Å |
| 519 | F | 85.4 | Confident | 86.7 | Confident | 50 Ų | 50 | 23 Ų | 23 | 22% | 0.219 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 144.2 | -179.1 | -70.4 | -62.1 | 0 | 0 | 0 | 113.8 | H514 D517 V521 K533 S534 K535 | H514-F519 WeakPolarHBondContact CA-O 3.46Å; H514-F519 WeakPolarHBondContact CB-O 3.19Å; D517-F519 WeakPolarHBondContact O-CD2 3.21Å; D517-F519 PolarHBondContact O-N 2.88Å; D517-F519 VanDerWaalsContact O-N 3.09Å; F519-V521 HydrophobicContact CB-CG2 4.13Å; F519-K533 HydrophobicContact CD1-CD 4.35Å; F519-K533 HydrophobicContact CD1-CG 4.3Å; F519-K533 VanDerWaalsContact CG-CE 3.43Å; F519-S534 WeakPolarHBondContact CA-O 3.23Å; F519-K535 HydrophobicContact CD1-CB 3.93Å; F519-K535 HydrophobicContact CD1-CG 3.97Å; F519-K535 HydrophobicContact CE1-CB 3.78Å; F519-K535 HydrophobicContact CE1-CD 4.2Å; F519-K535 HydrophobicContact CE1-CG 3.67Å; F519-K535 HydrophobicContact CZ-CG 4.39Å |
| 520 | L | 90 | Very high | 86.7 | Confident | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 122.1 | 162.2 | -169.2 | 151.8 | 0 | 0 | 0 | 108 | M512 L522 F532 K533 S534 I546 A549 L558 A560 F570 | M512-L520 HydrophobicContact CG-CD2 4.27Å; M512-L520 HydrophobicContact CG-CG 4.27Å; M512-L520 HydrophobicContact SD-CD1 3.77Å; M512-L520 HydrophobicContact SD-CD2 3.83Å; M512-L520 HydrophobicContact SD-CG 3.82Å; L520-L522 HydrophobicContact CD2-CD2 4.22Å; L520-L522 HydrophobicContact CD2-CG 4.39Å; L520-F532 HydrophobicContact CD2-CD1 4.41Å; L520-F532 HydrophobicContact CD2-CE1 4.26Å; L520-K533 WeakPolarHBondContact O-CA 3.21Å; L520-S534 PolarHBondContact N-O 3.24Å; L520-S534 PolarHBondContact O-N 3.08Å; L520-I546 HydrophobicContact CB-CD1 3.85Å; L520-I546 HydrophobicContact CD1-CD1 4.25Å; L520-I546 HydrophobicContact CG-CD1 4.5Å; L520-A549 HydrophobicContact CD1-CB 4.01Å; L520-L558 HydrophobicContact CD1-CD1 3.69Å; L520-L558 HydrophobicContact CD2-CD1 4.12Å; L520-L558 HydrophobicContact CD2-CD2 4.08Å; L520-A560 HydrophobicContact CD1-CB 3.77Å; L520-F570 HydrophobicContact CD1-CE2 4.42Å |
| 521 | V | 91.6 | Very high | 86.7 | Confident | 5 Ų | 5 | 23.1 Ų | 23.1 | 3% | 0.03 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 131 | -175.8 | -165.3 | 0 | 0 | 0 | 0 | 110.3 | M512 T513 F519 W523 V530 K533 | M512-V521 CarbonylContact C-O 3.57Å; M512-V521 WeakPolarHBondContact CA-O 3.35Å; T513-V521 PolarHBondContact N-O 2.79Å; T513-V521 PolarHBondContact O-N 2.68Å; F519-V521 HydrophobicContact CB-CG2 4.13Å; V521-W523 HydrophobicContact CB-CZ2 4.29Å; V521-W523 HydrophobicContact CG1-CD2 4.07Å; V521-W523 HydrophobicContact CG1-CG 4.44Å; V521-W523 HydrophobicContact CG1-CZ2 3.8Å; V521-V530 HydrophobicContact CG1-CG1 3.84Å; V521-V530 HydrophobicContact CG1-CG2 4.01Å; V521-K533 HydrophobicContact CG1-CB 4.32Å; V521-K533 HydrophobicContact CG2-CD 4.01Å; V521-K533 HydrophobicContact CG2-CG 4.06Å |
| 522 | L | 93.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 125.2 | 170.7 | -55.2 | -176.2 | 0 | 0 | 0 | 108.9 | I199 F202 V511 M512 L520 L531 F532 F551 L558 | I199-L522 HydrophobicContact CG2-CB 4.1Å; I199-L522 HydrophobicContact CG2-CD1 3.54Å; I199-L522 HydrophobicContact CG2-CG 4.46Å; F202-L522 HydrophobicContact CD2-CD1 3.78Å; F202-L522 HydrophobicContact CE2-CD1 3.89Å; V511-L522 WeakPolarHBondContact O-CA 3.12Å; M512-L522 HydrophobicContact CB-CD2 3.39Å; M512-L522 HydrophobicContact CG-CD2 3.65Å; M512-L522 HydrophobicContact SD-CD2 4.1Å; L520-L522 HydrophobicContact CD2-CD2 4.22Å; L520-L522 HydrophobicContact CD2-CG 4.39Å; L522-L531 PolarHBondContact O-N 3.36Å; L522-F532 HydrophobicContact CB-CB 4.12Å; L522-F532 HydrophobicContact CD1-CB 4.12Å; L522-F532 HydrophobicContact CD1-CD1 4.07Å; L522-F532 HydrophobicContact CD1-CG 4.47Å; L522-F532 HydrophobicContact CG-CB 4.24Å; L522-F532 HydrophobicContact CG-CD1 4.11Å; L522-F532 PolarHBondContact N-O 3.09Å; L522-F532 PolarHBondContact O-N 2.7Å; L522-F551 HydrophobicContact CD1-CE1 4.25Å; L522-F551 HydrophobicContact CD1-CZ 4.39Å; L522-F551 HydrophobicContact CD2-CE1 4.28Å; L522-F551 HydrophobicContact CD2-CZ 3.73Å; L522-L558 HydrophobicContact CD1-CD2 3.84Å; L522-L558 HydrophobicContact CD2-CD2 3.96Å; L522-L558 HydrophobicContact CG-CD2 4.35Å |
| 523 | W | 92.7 | Very high | 86.6 | Confident | 21 Ų | 21 | 28.8 Ų | 28.8 | 8% | 0.08 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 142.3 | -174.5 | -56.6 | 86.4 | 0 | 0 | 0 | 111.3 | I492 V494 V510 V511 T513 V521 I525 N529 V530 | I492-W523 HydrophobicContact CG2-CE3 3.73Å; I492-W523 HydrophobicContact CG2-CH2 4.04Å; I492-W523 HydrophobicContact CG2-CZ3 3.45Å; I492-W523 VanDerWaalsContact CG2-CZ3 3.45Å; V494-W523 HydrophobicContact CG1-CZ2 4.11Å; V494-W523 HydrophobicContact CG2-CH2 4.28Å; V494-W523 HydrophobicContact CG2-CZ2 3.94Å; V510-W523 WeakPolarHBondContact CA-O 3.29Å; V511-W523 HydrophobicContact CG2-CB 4.2Å; V511-W523 PolarHBondContact N-O 3.37Å; V511-W523 VanDerWaalsContact N-O 3.17Å; V511-W523 PolarHBondContact O-N 3.49Å; T513-W523 PolarHBondContact OG1-NE1 3.39Å; V521-W523 HydrophobicContact CB-CZ2 4.29Å; V521-W523 HydrophobicContact CG1-CD2 4.07Å; V521-W523 HydrophobicContact CG1-CG 4.44Å; V521-W523 HydrophobicContact CG1-CZ2 3.8Å; W523-I525 HydrophobicContact CB-CG2 4.36Å; W523-N529 WeakPolarHBondContact CA-O 3.4Å; W523-V530 HydrophobicContact CD2-CG2 4.39Å; W523-V530 HydrophobicContact CE3-CG2 3.72Å; W523-V530 HydrophobicContact CH2-CG2 4Å; W523-V530 HydrophobicContact CZ3-CG2 3.5Å; W523-V530 VanDerWaalsContact CZ3-CG2 3.5Å |
| 524 | D | 92.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 106.3 | 156.8 | -169.4 | -39.9 | 0 | 0 | 0 | 108 | K196 E509 A526 E527 G528 N529 L531 | K196-D524 VanDerWaalsContact CD-OD2 3.27Å; K196-D524 WeakPolarHBondContact CD-OD2 3Å; K196-D524 VanDerWaalsContact CE-OD2 3.26Å; K196-D524 WeakPolarHBondContact CE-OD2 3.45Å; K196-D524 IonicContact NZ-OD1 2.76Å; K196-D524 PolarHBondContact NZ-OD1 2.87Å; K196-D524 VanDerWaalsContact NZ-OD1 3.13Å; K196-D524 IonicContact NZ-OD2 2.99Å; K196-D524 PolarHBondContact NZ-OD2 3.27Å; E509-D524 CarbonylContact O-C 3.54Å; E509-D524 WeakPolarHBondContact O-CA 3.32Å; D524-A526 VanDerWaalsContact C-N 3.32Å; D524-A526 WeakPolarHBondContact OD1-CB 3.24Å; D524-A526 PolarHBondContact OD1-N 3.46Å; D524-E527 HydrophobicContact CB-CB 4.16Å; D524-E527 PolarHBondContact OD1-N 3.11Å; D524-E527 VanDerWaalsContact OD2-CD 3.31Å; D524-E527 WeakPolarHBondContact OD2-CG 3.48Å; D524-G528 CarbonylContact O-C 3.59Å; D524-G528 WeakPolarHBondContact O-CA 3.48Å; D524-G528 PolarHBondContact O-N 2.92Å; D524-N529 HydrophobicContact CB-CB 4.36Å; D524-N529 PolarHBondContact N-O 3.46Å; D524-N529 PolarHBondContact O-N 3.45Å; D524-L531 HydrophobicContact CB-CD1 3.98Å; D524-L531 HydrophobicContact CB-CD2 4.03Å; D524-L531 HydrophobicContact CB-CG 3.87Å |
| 525 | I | 91.5 | Very high | 86.3 | Confident | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.015 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -14.2 | -179.1 | 60.3 | 166.4 | 0 | 0 | 0 | 113.2 | L468 V470 I480 R490 I492 E509 V511 W523 | L468-I525 HydrophobicContact CD1-CD1 3.66Å; L468-I525 HydrophobicContact CD1-CG1 4.36Å; V470-I525 HydrophobicContact CG2-CD1 3.71Å; I480-I525 HydrophobicContact CD1-CB 3.75Å; I480-I525 HydrophobicContact CD1-CG2 4.08Å; I480-I525 HydrophobicContact CG1-CB 4.29Å; R490-I525 WeakPolarHBondContact CD-O 3.41Å; I492-I525 HydrophobicContact CD1-CG2 4.32Å; E509-I525 WeakPolarHBondContact O-CG1 3.03Å; E509-I525 PolarHBondContact O-N 2.81Å; V511-I525 HydrophobicContact CB-CG2 4.45Å; V511-I525 HydrophobicContact CG1-CD1 4.11Å; V511-I525 HydrophobicContact CG1-CG2 4.07Å; V511-I525 HydrophobicContact CG2-CG2 3.63Å; W523-I525 HydrophobicContact CB-CG2 4.36Å |
| 526 | A | 87.7 | Confident | 86.3 | Confident | 39 Ų | 39 | 31.7 Ų | 31.7 | 32% | 0.322 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -46.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | R490 E509 D524 | R490-A526 VanDerWaalsContact CZ-O 3.24Å; R490-A526 PolarHBondContact NE-O 3.17Å; R490-A526 PolarHBondContact NH2-O 3.45Å; E509-A526 HydrophobicContact CB-CB 4.09Å; E509-A526 VanDerWaalsContact CD-CB 3.47Å; E509-A526 HydrophobicContact CG-CB 3.92Å; E509-A526 WeakPolarHBondContact OE2-CB 3.38Å; D524-A526 VanDerWaalsContact C-N 3.32Å; D524-A526 WeakPolarHBondContact OD1-CB 3.24Å; D524-A526 PolarHBondContact OD1-N 3.46Å |
| 527 | E | 85.2 | Confident | 86 | Confident | 86 Ų | 86 | 30.5 Ų | 30.5 | 40% | 0.402 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -35.2 | 175.4 | -63.8 | -179.5 | 176.1 | 0 | 0 | 112.4 | R200 R490 D524 N529 | R200-E527 IonicContact NH2-OE1 3.55Å; R200-E527 IonicContact NH2-OE2 3.19Å; R200-E527 PolarHBondContact NH2-OE2 3.01Å; R490-E527 PolarHBondContact NH1-O 3.18Å; R490-E527 PolarHBondContact NH2-O 3.12Å; D524-E527 HydrophobicContact CB-CB 4.16Å; D524-E527 PolarHBondContact OD1-N 3.11Å; D524-E527 VanDerWaalsContact OD2-CD 3.31Å; D524-E527 WeakPolarHBondContact OD2-CG 3.48Å; E527-N529 HydrophobicContact CB-CB 4.13Å; E527-N529 WeakPolarHBondContact CB-ND2 3.39Å; E527-N529 PolarHBondContact OE2-ND2 3.01Å |
| 528 | G | 85.7 | Confident | 85.1 | Confident | 22 Ų | 22 | 34.3 Ų | 34.3 | 23% | 0.227 | 18% | 0.183 | C | C | . | . | trans | 88.2 | 9.8 | -167.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | D524 | D524-G528 CarbonylContact O-C 3.59Å; D524-G528 WeakPolarHBondContact O-CA 3.48Å; D524-G528 PolarHBondContact O-N 2.92Å | ||
| 529 | N | 89.6 | Confident | 83.8 | Confident | 85 Ų | 85 | 36.9 Ų | 36.9 | 46% | 0.455 | 20% | 0.197 | S | C | . | . | trans | -93.2 | 154.1 | -172.6 | -74.6 | -31.4 | 0 | 0 | 0 | 112.5 | W523 D524 E527 | W523-N529 WeakPolarHBondContact CA-O 3.4Å; D524-N529 HydrophobicContact CB-CB 4.36Å; D524-N529 PolarHBondContact N-O 3.46Å; D524-N529 PolarHBondContact O-N 3.45Å; E527-N529 HydrophobicContact CB-CB 4.13Å; E527-N529 WeakPolarHBondContact CB-ND2 3.39Å; E527-N529 PolarHBondContact OE2-ND2 3.01Å | ||
| 530 | V | 91 | Very high | 81.7 | Confident | 71 Ų | 71 | 35.5 Ų | 35.5 | 43% | 0.43 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 126.5 | 166.3 | 175.1 | 0 | 0 | 0 | 0 | 108.9 | V521 W523 F532 K533 | V521-V530 HydrophobicContact CG1-CG1 3.84Å; V521-V530 HydrophobicContact CG1-CG2 4.01Å; W523-V530 HydrophobicContact CD2-CG2 4.39Å; W523-V530 HydrophobicContact CE3-CG2 3.72Å; W523-V530 HydrophobicContact CH2-CG2 4Å; W523-V530 HydrophobicContact CZ3-CG2 3.5Å; W523-V530 VanDerWaalsContact CZ3-CG2 3.5Å; V530-F532 WeakPolarHBondContact CG1-O 3.24Å; V530-K533 HydrophobicContact CG1-CB 3.95Å |
| 531 | L | 91.2 | Very high | 79.8 | Confident | 13 Ų | 13 | 36.4 Ų | 36.4 | 7% | 0.068 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -37.9 | 174.4 | -65.2 | 170.7 | 0 | 0 | 0 | 111.9 | K196 I199 R200 V510 L522 D524 | K196-L531 HydrophobicContact CB-CD1 4.44Å; K196-L531 HydrophobicContact CB-CD2 4.2Å; K196-L531 HydrophobicContact CG-CD1 4.15Å; I199-L531 HydrophobicContact CG2-CB 3.79Å; I199-L531 HydrophobicContact CG2-CD1 4.4Å; R200-L531 HydrophobicContact CG-CB 4.39Å; R200-L531 HydrophobicContact CG-CD2 3.93Å; V510-L531 HydrophobicContact CG1-CD1 4.36Å; V510-L531 HydrophobicContact CG2-CD1 3.78Å; L522-L531 PolarHBondContact O-N 3.36Å; D524-L531 HydrophobicContact CB-CD1 3.98Å; D524-L531 HydrophobicContact CB-CD2 4.03Å; D524-L531 HydrophobicContact CB-CG 3.87Å |
| 532 | F | 91.4 | Very high | 78 | Confident | 27 Ų | 27 | 39.6 Ų | 39.6 | 12% | 0.118 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 144 | 177.1 | 172.3 | -100.8 | 0 | 0 | 0 | 109.6 | I199 F202 L520 L522 V530 F570 | I199-F532 HydrophobicContact CG2-CB 4.22Å; F202-F532 HydrophobicContact CB-CD1 4.49Å; F202-F532 HydrophobicContact CB-CD2 3.76Å; F202-F532 HydrophobicContact CB-CE2 3.95Å; F202-F532 HydrophobicContact CB-CG 4.06Å; F202-F532 HydrophobicContact CB-CZ 4.38Å; F202-F532 WeakPolarHBondContact O-CD2 3.46Å; F202-F532 WeakPolarHBondContact O-CE2 3.43Å; L520-F532 HydrophobicContact CD2-CD1 4.41Å; L520-F532 HydrophobicContact CD2-CE1 4.26Å; L522-F532 HydrophobicContact CB-CB 4.12Å; L522-F532 HydrophobicContact CD1-CB 4.12Å; L522-F532 HydrophobicContact CD1-CD1 4.07Å; L522-F532 HydrophobicContact CD1-CG 4.47Å; L522-F532 HydrophobicContact CG-CB 4.24Å; L522-F532 HydrophobicContact CG-CD1 4.11Å; L522-F532 PolarHBondContact N-O 3.09Å; L522-F532 PolarHBondContact O-N 2.7Å; V530-F532 WeakPolarHBondContact CG1-O 3.24Å; F532-F570 HydrophobicContact CE1-CD1 4.02Å; F532-F570 HydrophobicContact CE1-CE1 4.27Å; F532-F570 AromaticContact CZ-CD1 3.72Å; F532-F570 HydrophobicContact CZ-CD1 3.72Å; F532-F570 HydrophobicContact CZ-CE1 4Å |
| 533 | K | 90.4 | Very high | 76.8 | Confident | 93 Ų | 93 | 41 Ų | 41 | 40% | 0.404 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 129.1 | 173 | 176.1 | 162.2 | -177.6 | 173.9 | 0 | 109.5 | F519 L520 V521 V530 | F519-K533 HydrophobicContact CD1-CD 4.35Å; F519-K533 HydrophobicContact CD1-CG 4.3Å; F519-K533 VanDerWaalsContact CG-CE 3.43Å; L520-K533 WeakPolarHBondContact O-CA 3.21Å; V521-K533 HydrophobicContact CG1-CB 4.32Å; V521-K533 HydrophobicContact CG2-CD 4.01Å; V521-K533 HydrophobicContact CG2-CG 4.06Å; V530-K533 HydrophobicContact CG1-CB 3.95Å |
| 534 | S | 88.1 | Confident | 75.9 | Confident | 15 Ų | 15 | 40.5 Ų | 40.5 | 11% | 0.105 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 144 | 172.4 | 169.6 | 0 | 0 | 0 | 0 | 109.6 | F519 L520 F570 | F519-S534 WeakPolarHBondContact CA-O 3.23Å; L520-S534 PolarHBondContact N-O 3.24Å; L520-S534 PolarHBondContact O-N 3.08Å; S534-F570 VanDerWaalsContact OG-CE1 3.3Å; S534-F570 WeakPolarHBondContact OG-CE1 3.12Å |
| 535 | K | 84.2 | Confident | 75.4 | Confident | 46 Ų | 46 | 42.4 Ų | 42.4 | 20% | 0.2 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 155 | 167.2 | -160.9 | -172.8 | 173.8 | -149.7 | 0 | 108.9 | D518 F519 N537 | D518-K535 CarbonylContact O-C 3.54Å; D518-K535 WeakPolarHBondContact O-CA 3.49Å; F519-K535 HydrophobicContact CD1-CB 3.93Å; F519-K535 HydrophobicContact CD1-CG 3.97Å; F519-K535 HydrophobicContact CE1-CB 3.78Å; F519-K535 HydrophobicContact CE1-CD 4.2Å; F519-K535 HydrophobicContact CE1-CG 3.67Å; F519-K535 HydrophobicContact CZ-CG 4.39Å; K535-N537 PolarHBondContact NZ-O 3.06Å; K535-N537 VanDerWaalsContact NZ-O 3.13Å |
| 536 | L | 74.8 | Confident | 75.2 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -83.2 | -39.6 | 172.9 | -63.4 | 165.8 | 0 | 0 | 0 | 112.1 | D518 D538 A544 I546 T562 R568 | D518-L536 HydrophobicContact CB-CD1 4.43Å; D518-L536 PolarHBondContact O-N 3.19Å; L536-D538 VanDerWaalsContact C-N 3.34Å; L536-D538 PolarHBondContact O-N 3.2Å; L536-A544 HydrophobicContact CB-CB 4.49Å; L536-A544 WeakPolarHBondContact CD1-O 3.47Å; L536-I546 HydrophobicContact CD1-CB 4.42Å; L536-I546 HydrophobicContact CD1-CD1 3.77Å; L536-I546 HydrophobicContact CD1-CG1 3.56Å; L536-I546 HydrophobicContact CD2-CD1 3.97Å; L536-I546 HydrophobicContact CD2-CG1 3.82Å; L536-I546 HydrophobicContact CG-CD1 4.09Å; L536-I546 HydrophobicContact CG-CG1 4.16Å; L536-T562 HydrophobicContact CD2-CG2 4.16Å; L536-R568 VanDerWaalsContact O-CZ 3.26Å; L536-R568 PolarHBondContact O-NH1 3.27Å; L536-R568 PolarHBondContact O-NH2 2.87Å; L536-R568 VanDerWaalsContact O-NH2 3.08Å |
| 537 | N | 62 | Low | 75.2 | Confident | 12 Ų | 12 | 43.6 Ų | 43.6 | 6% | 0.064 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 78.1 | -172.1 | -45.4 | -3 | 0 | 0 | 0 | 109.6 | D518 K535 P889 | D518-N537 PolarHBondContact OD2-ND2 3.35Å; K535-N537 PolarHBondContact NZ-O 3.06Å; K535-N537 VanDerWaalsContact NZ-O 3.13Å; N537-P889 WeakPolarHBondContact O-CD 3.19Å; N537-P889 WeakPolarHBondContact O-CG 3.42Å |
| 538 | D | 52.8 | Low | 75.2 | Confident | 95 Ų | 95 | 40.6 Ų | 40.6 | 51% | 0.508 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | -36 | 157.2 | -53 | -47.5 | 0 | 0 | 0 | 109.7 | L536 G540 R568 | L536-D538 VanDerWaalsContact C-N 3.34Å; L536-D538 PolarHBondContact O-N 3.2Å; D538-G540 PolarHBondContact O-N 2.84Å; D538-R568 IonicContact OD2-NH2 3.62Å; D538-R568 PolarHBondContact OD2-NH2 2.96Å |
| 539 | D | 48.3 | Very low | 75.5 | Confident | 86 Ų | 86 | 39.6 Ų | 39.6 | 46% | 0.46 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -92.6 | 34.8 | -172.8 | -42.8 | -60.8 | 0 | 0 | 0 | 114.9 | A541 R566 | D539-A541 PolarHBondContact O-N 3.24Å; D539-R566 IonicContact OD2-NH1 3.74Å; D539-R566 PolarHBondContact OD2-NH1 3.38Å; D539-R566 VanDerWaalsContact OD2-NH1 3.11Å |
| 540 | G | 41.9 | Very low | 75.5 | Confident | 21 Ų | 21 | 36 Ų | 36 | 22% | 0.216 | 20% | 0.199 | C | C | . | . | trans | 74.9 | -48.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | D538 R542 S891 | D538-G540 PolarHBondContact O-N 2.84Å; G540-R542 PolarHBondContact O-N 3.36Å; G540-S891 WeakPolarHBondContact O-CA 3.24Å; G540-S891 PolarHBondContact O-N 3.49Å | ||
| 541 | A | 49.2 | Very low | 75.3 | Confident | 20 Ų | 20 | 33.3 Ų | 33.3 | 17% | 0.165 | 18% | 0.182 | C | C | . | . | trans | -47 | 124.3 | -166.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | D539 G543 L564 D892 | D539-A541 PolarHBondContact O-N 3.24Å; A541-G543 PolarHBondContact O-N 2.58Å; A541-L564 HydrophobicContact CB-CD1 4.3Å; A541-D892 WeakPolarHBondContact CA-OD2 3.13Å | ||
| 542 | R | 55.3 | Low | 74.9 | Confident | 73 Ų | 73 | 32.9 Ų | 32.9 | 28% | 0.275 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 117.9 | -178.9 | -170.5 | 178.5 | -73.6 | -148.7 | 0.5 | 111.6 | G540 S891 D892 H894 | G540-R542 PolarHBondContact O-N 3.36Å; R542-S891 WeakPolarHBondContact CG-OG 3.46Å; R542-S891 VanDerWaalsContact CZ-OG 3.3Å; R542-S891 VanDerWaalsContact NE-C 3.26Å; R542-S891 PolarHBondContact NE-O 2.91Å; R542-S891 PolarHBondContact NE-OG 3.48Å; R542-S891 PolarHBondContact NH2-O 3.5Å; R542-S891 PolarHBondContact NH2-OG 2.71Å; R542-D892 HydrophobicContact CB-CB 4.33Å; R542-D892 PolarHBondContact N-OD2 2.85Å; R542-H894 PolarHBondContact NH1-CD2 3.26Å; R542-H894 PolarHBondContact NH1-NE2 2.65Å; R542-H894 PolarHBondContact NH2-CD2 2.68Å; R542-H894 VanDerWaalsContact NH2-CD2 3.3Å; R542-H894 PolarHBondContact NH2-CE1 3.4Å; R542-H894 PolarHBondContact NH2-ND1 2.65Å; R542-H894 VanDerWaalsContact NH2-ND1 3.13Å; R542-H894 PolarHBondContact NH2-NE2 2.74Å |
| 543 | G | 67.3 | Low | 74 | Confident | 30 Ų | 30 | 33.7 Ų | 33.7 | 31% | 0.309 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93 | 30.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | A541 V545 N563 | A541-G543 PolarHBondContact O-N 2.58Å; G543-V545 PolarHBondContact O-N 3.29Å; G543-N563 PolarHBondContact O-ND2 3.09Å; G543-N563 PolarHBondContact O-OD1 2.91Å |
| 544 | A | 74.3 | Confident | 72.9 | Confident | 9 Ų | 9 | 32.9 Ų | 32.9 | 7% | 0.074 | 19% | 0.188 | C | C | . | . | trans | -74.5 | 106.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | L536 N563 L564 | L536-A544 HydrophobicContact CB-CB 4.49Å; L536-A544 WeakPolarHBondContact CD1-O 3.47Å; A544-N563 WeakPolarHBondContact CA-OD1 3.43Å; A544-L564 HydrophobicContact CB-CD1 3.63Å; A544-L564 HydrophobicContact CB-CG 4.28Å | ||
| 545 | V | 82.5 | Confident | 72.5 | Confident | 40 Ų | 40 | 32.2 Ų | 32.2 | 24% | 0.242 | 18% | 0.183 | C | C | . | . | trans | -108 | 138.3 | -177.5 | 173.6 | 0 | 0 | 0 | 0 | 110 | G543 K547 T562 N563 | G543-V545 PolarHBondContact O-N 3.29Å; V545-K547 PolarHBondContact O-N 2.85Å; V545-T562 VanDerWaalsContact O-CA 3.26Å; V545-T562 WeakPolarHBondContact O-CA 3.44Å; V545-N563 PolarHBondContact N-OD1 3.02Å; V545-N563 PolarHBondContact O-N 2.9Å; V545-N563 VanDerWaalsContact O-N 3.1Å; V545-N563 PolarHBondContact O-OD1 3.13Å | ||
| 546 | I | 87.5 | Confident | 72.2 | Confident | 8 Ų | 8 | 30.8 Ų | 30.8 | 4% | 0.041 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 124.5 | 170.9 | -75.3 | 147.5 | 0 | 0 | 0 | 109.8 | H514 L520 L536 A549 A560 T561 | H514-I546 HydrophobicContact CB-CB 4.13Å; H514-I546 HydrophobicContact CB-CD1 3.73Å; H514-I546 HydrophobicContact CB-CG2 4Å; H514-I546 VanDerWaalsContact CG-CG2 3.49Å; L520-I546 HydrophobicContact CB-CD1 3.85Å; L520-I546 HydrophobicContact CD1-CD1 4.25Å; L520-I546 HydrophobicContact CG-CD1 4.5Å; L536-I546 HydrophobicContact CD1-CB 4.42Å; L536-I546 HydrophobicContact CD1-CD1 3.77Å; L536-I546 HydrophobicContact CD1-CG1 3.56Å; L536-I546 HydrophobicContact CD2-CD1 3.97Å; L536-I546 HydrophobicContact CD2-CG1 3.82Å; L536-I546 HydrophobicContact CG-CD1 4.09Å; L536-I546 HydrophobicContact CG-CG1 4.16Å; I546-A549 HydrophobicContact CG2-CB 4.19Å; I546-A560 HydrophobicContact CG1-CB 4.35Å; I546-T561 WeakPolarHBondContact CA-O 3.45Å |
| 547 | K | 86.3 | Confident | 72.7 | Confident | 60 Ų | 60 | 32.8 Ų | 32.8 | 26% | 0.261 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -55.3 | 173.8 | -80.3 | -68.3 | -156.3 | 110.9 | 0 | 110.8 | S214 V215 D232 V545 T561 N563 | S214-K547 WeakPolarHBondContact OG-CE 2.99Å; S214-K547 PolarHBondContact OG-NZ 2.8Å; V215-K547 WeakPolarHBondContact O-CB 3.35Å; D232-K547 IonicContact OD2-NZ 2.94Å; V545-K547 PolarHBondContact O-N 2.85Å; K547-T561 PolarHBondContact N-O 3.32Å; K547-N563 HydrophobicContact CG-CB 4.35Å |
| 548 | S | 86.5 | Confident | 74.1 | Confident | 23 Ų | 23 | 32.2 Ų | 32.2 | 16% | 0.161 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 153.2 | 173.5 | -173.2 | 0 | 0 | 0 | 0 | 110.5 | A560 T561 | S548-A560 CarbonylContact O-C 3.52Å; S548-A560 WeakPolarHBondContact O-CA 3.13Å; S548-T561 PolarHBondContact N-OG1 2.72Å; S548-T561 PolarHBondContact O-N 2.86Å; S548-T561 PolarHBondContact O-OG1 3.17Å |
| 549 | A | 90.6 | Very high | 75.9 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 138.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | M512 H514 L520 I546 C559 A560 R839 | M512-A549 HydrophobicContact CE-CB 3.94Å; M512-A549 VanDerWaalsContact CE-O 3.28Å; M512-A549 WeakPolarHBondContact CE-O 3.47Å; M512-A549 HydrophobicContact SD-CB 3.95Å; H514-A549 PolarHBondContact NE2-N 2.92Å; L520-A549 HydrophobicContact CD1-CB 4.01Å; I546-A549 HydrophobicContact CG2-CB 4.19Å; A549-C559 CarbonylContact C-O 3.57Å; A549-C559 WeakPolarHBondContact CA-O 3.32Å; A549-C559 WeakPolarHBondContact CB-O 2.92Å; A549-A560 HydrophobicContact CB-CB 3.63Å; A549-R839 PolarHBondContact O-NH1 3.2Å |
| 550 | L | 90.1 | Very high | 78 | Confident | 11 Ų | 11 | 23.6 Ų | 23.6 | 6% | 0.058 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 145.8 | -172.8 | -64.3 | -179.8 | 0 | 0 | 0 | 111.4 | L218 V220 V502 L558 C559 L831 | L218-L550 HydrophobicContact CB-CD1 4.38Å; L218-L550 HydrophobicContact CD2-CB 4Å; L218-L550 HydrophobicContact CD2-CD1 4.16Å; L218-L550 HydrophobicContact CD2-CG 3.99Å; L218-L550 HydrophobicContact CG-CD1 4.06Å; L218-L550 HydrophobicContact CG-CG 4.43Å; L218-L550 WeakPolarHBondContact O-CD1 3.36Å; V220-L550 HydrophobicContact CG2-CB 4.3Å; V220-L550 HydrophobicContact CG2-CD1 4.03Å; V502-L550 HydrophobicContact CG2-CD2 4.29Å; L550-L558 CarbonylContact O-C 3.58Å; L550-L558 WeakPolarHBondContact O-CA 3.44Å; L550-L558 VanDerWaalsContact O-CB 3.24Å; L550-L558 WeakPolarHBondContact O-CB 3.42Å; L550-C559 PolarHBondContact N-O 2.82Å; L550-C559 PolarHBondContact O-N 3.08Å; L550-L831 HydrophobicContact CD1-CD1 3.66Å; L550-L831 HydrophobicContact CD1-CD2 4.15Å; L550-L831 HydrophobicContact CD1-CG 4.05Å; L550-L831 HydrophobicContact CD2-CD1 3.34Å; L550-L831 HydrophobicContact CD2-CG 4.35Å; L550-L831 HydrophobicContact CG-CD1 4.12Å |
| 551 | F | 87.5 | Confident | 80.4 | Confident | 14 Ų | 14 | 22.6 Ų | 22.6 | 6% | 0.061 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 156.9 | 165.3 | -69.5 | -76.8 | 0 | 0 | 0 | 110.9 | F202 V502 H504 P505 M512 L522 R557 L558 | F202-F551 HydrophobicContact CE2-CE1 4.4Å; V502-F551 HydrophobicContact CG1-CD2 3.56Å; V502-F551 HydrophobicContact CG1-CE2 3.64Å; H504-F551 HydrophobicContact CB-CE2 4.01Å; H504-F551 HydrophobicContact CB-CZ 4.23Å; H504-F551 AromaticContact CD2-CD1 3.91Å; H504-F551 AromaticContact CD2-CE1 3.62Å; H504-F551 AromaticContact CD2-CZ 3.69Å; P505-F551 HydrophobicContact CG-CB 4.14Å; M512-F551 HydrophobicContact CB-CE2 4.03Å; M512-F551 HydrophobicContact CB-CZ 4.2Å; M512-F551 HydrophobicContact CE-CD2 4.32Å; M512-F551 HydrophobicContact CE-CE2 4.26Å; L522-F551 HydrophobicContact CD1-CE1 4.25Å; L522-F551 HydrophobicContact CD1-CZ 4.39Å; L522-F551 HydrophobicContact CD2-CE1 4.28Å; L522-F551 HydrophobicContact CD2-CZ 3.73Å; F551-R557 WeakPolarHBondContact CA-O 3.46Å; F551-L558 HydrophobicContact CD1-CB 3.86Å; F551-L558 HydrophobicContact CD1-CD2 4.11Å; F551-L558 HydrophobicContact CE1-CB 4.34Å; F551-L558 HydrophobicContact CE1-CD2 3.71Å; F551-L558 HydrophobicContact CG-CB 4.39Å; F551-L558 HydrophobicContact CZ-CD2 4.32Å |
| 552 | S | 81.4 | Confident | 82.3 | Confident | 3 Ų | 3 | 21.8 Ų | 21.8 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | trans | -67.3 | 154.9 | 155 | 47.7 | 0 | 0 | 0 | 0 | 110 | D554 G555 R557 | S552-D554 VanDerWaalsContact CB-OD1 3.3Å; S552-D554 WeakPolarHBondContact CB-OD1 3.18Å; S552-D554 PolarHBondContact O-N 3.14Å; S552-D554 VanDerWaalsContact O-N 3.09Å; S552-D554 PolarHBondContact OG-OD1 3.42Å; S552-G555 WeakPolarHBondContact O-CA 3.15Å; S552-G555 PolarHBondContact O-N 2.94Å; S552-R557 PolarHBondContact N-O 3.13Å; S552-R557 PolarHBondContact OG-N 2.74Å; S552-R557 PolarHBondContact OG-O 3.4Å | ||
| 553 | P | 72.2 | Confident | 83.9 | Confident | 45 Ų | 45 | 20.7 Ų | 20.7 | 29% | 0.292 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -27.7 | -178.1 | -28.2 | 35.4 | 0 | 0 | 0 | 115 | G555 | P553-G555 VanDerWaalsContact C-N 3.31Š|
| 554 | D | 69.1 | Low | 84.8 | Confident | 76 Ų | 76 | 22.1 Ų | 22.1 | 41% | 0.406 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -10.4 | 175.5 | 74.2 | -20.3 | 0 | 0 | 0 | 114.2 | M195 S552 T556 | M195-D554 WeakPolarHBondContact CE-O 3.41Å; S552-D554 VanDerWaalsContact CB-OD1 3.3Å; S552-D554 WeakPolarHBondContact CB-OD1 3.18Å; S552-D554 PolarHBondContact O-N 3.14Å; S552-D554 VanDerWaalsContact O-N 3.09Å; S552-D554 PolarHBondContact OG-OD1 3.42Å; D554-T556 HydrophobicContact CB-CG2 4.36Å; D554-T556 VanDerWaalsContact CG-OG1 3.32Å; D554-T556 PolarHBondContact O-N 2.88Å; D554-T556 PolarHBondContact OD1-N 2.88Å; D554-T556 PolarHBondContact OD1-OG1 2.84Å; D554-T556 WeakPolarHBondContact OD2-CB 3.44Å; D554-T556 WeakPolarHBondContact OD2-CG2 3.48Å; D554-T556 PolarHBondContact OD2-OG1 2.82Å |
| 555 | G | 78.3 | Confident | 85.5 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | S | Bend | trans | 73.8 | -3.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | H504 S552 P553 R557 | H504-G555 VanDerWaalsContact NE2-CA 3.31Å; H504-G555 WeakPolarHBondContact NE2-CA 3.48Å; H504-G555 PolarHBondContact NE2-O 2.98Å; S552-G555 WeakPolarHBondContact O-CA 3.15Å; S552-G555 PolarHBondContact O-N 2.94Å; P553-G555 VanDerWaalsContact C-N 3.31Å; G555-R557 VanDerWaalsContact C-N 3.31Å; G555-R557 PolarHBondContact O-N 2.98Å |
| 556 | T | 79.5 | Confident | 85.9 | Confident | 17 Ų | 17 | 23.3 Ų | 23.3 | 10% | 0.104 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -81.6 | -10.3 | -171.7 | 76.2 | 0 | 0 | 0 | 0 | 114.2 | F161 M195 F202 D554 | F161-T556 HydrophobicContact CE1-CG2 4.39Å; M195-T556 HydrophobicContact CE-CG2 4.44Å; F202-T556 VanDerWaalsContact CE1-O 3.25Å; F202-T556 WeakPolarHBondContact CE1-O 3.45Å; F202-T556 WeakPolarHBondContact CZ-O 3.34Å; D554-T556 HydrophobicContact CB-CG2 4.36Å; D554-T556 VanDerWaalsContact CG-OG1 3.32Å; D554-T556 PolarHBondContact O-N 2.88Å; D554-T556 PolarHBondContact OD1-N 2.88Å; D554-T556 PolarHBondContact OD1-OG1 2.84Å; D554-T556 WeakPolarHBondContact OD2-CB 3.44Å; D554-T556 WeakPolarHBondContact OD2-CG2 3.48Å; D554-T556 PolarHBondContact OD2-OG1 2.82Å |
| 557 | R | 84.9 | Confident | 86.1 | Confident | 45 Ų | 45 | 23.3 Ų | 23.3 | 17% | 0.17 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 164.6 | 176.2 | -54.4 | -174.2 | -163.7 | -151.9 | 3.8 | 110.4 | V241 F551 S552 G555 F570 | V241-R557 PolarHBondContact O-NH1 3.38Å; F551-R557 WeakPolarHBondContact CA-O 3.46Å; S552-R557 PolarHBondContact N-O 3.13Å; S552-R557 PolarHBondContact OG-N 2.74Å; S552-R557 PolarHBondContact OG-O 3.4Å; G555-R557 VanDerWaalsContact C-N 3.31Å; G555-R557 PolarHBondContact O-N 2.98Å; R557-F570 CarbonylContact C-O 3.53Å; R557-F570 VanDerWaalsContact CA-O 3.22Å; R557-F570 WeakPolarHBondContact CA-O 3.28Å; R557-F570 VanDerWaalsContact CB-O 3.3Å; R557-F570 WeakPolarHBondContact CB-O 3.39Å |
| 558 | L | 90.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 155.8 | 165 | 67.3 | 84.9 | 0 | 0 | 0 | 111.2 | F202 M512 L520 L522 L550 F551 F570 | F202-L558 HydrophobicContact CD2-CD2 4.35Å; F202-L558 HydrophobicContact CE2-CD2 4.05Å; F202-L558 HydrophobicContact CE2-CG 4.43Å; M512-L558 HydrophobicContact SD-CD1 4.28Å; M512-L558 HydrophobicContact SD-CD2 3.86Å; L520-L558 HydrophobicContact CD1-CD1 3.69Å; L520-L558 HydrophobicContact CD2-CD1 4.12Å; L520-L558 HydrophobicContact CD2-CD2 4.08Å; L522-L558 HydrophobicContact CD1-CD2 3.84Å; L522-L558 HydrophobicContact CD2-CD2 3.96Å; L522-L558 HydrophobicContact CG-CD2 4.35Å; L550-L558 CarbonylContact O-C 3.58Å; L550-L558 WeakPolarHBondContact O-CA 3.44Å; L550-L558 VanDerWaalsContact O-CB 3.24Å; L550-L558 WeakPolarHBondContact O-CB 3.42Å; F551-L558 HydrophobicContact CD1-CB 3.86Å; F551-L558 HydrophobicContact CD1-CD2 4.11Å; F551-L558 HydrophobicContact CE1-CB 4.34Å; F551-L558 HydrophobicContact CE1-CD2 3.71Å; F551-L558 HydrophobicContact CG-CB 4.39Å; F551-L558 HydrophobicContact CZ-CD2 4.32Å; L558-F570 HydrophobicContact CD1-CB 3.97Å; L558-F570 HydrophobicContact CD1-CD2 3.47Å; L558-F570 VanDerWaalsContact CD1-CD2 3.47Å; L558-F570 HydrophobicContact CD1-CE2 4.19Å; L558-F570 HydrophobicContact CD1-CG 3.99Å; L558-F570 HydrophobicContact CG-CB 4.01Å; L558-F570 HydrophobicContact CG-CD2 4.43Å; L558-F570 PolarHBondContact N-O 3.18Å; L558-F570 PolarHBondContact O-N 2.8Å |
| 559 | C | 91.5 | Very high | 86.5 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 143.5 | 174.2 | 179.2 | 0 | 0 | 0 | 0 | 109.9 | L218 F227 A549 L550 M567 R568 | L218-C559 HydrophobicContact CD2-CB 4.07Å; F227-C559 HydrophobicContact CD1-CB 3.86Å; F227-C559 HydrophobicContact CD2-CB 3.67Å; F227-C559 HydrophobicContact CE1-CB 3.58Å; F227-C559 HydrophobicContact CE2-CB 3.41Å; F227-C559 VanDerWaalsContact CE2-CB 3.41Å; F227-C559 HydrophobicContact CG-CB 3.92Å; F227-C559 HydrophobicContact CZ-CB 3.37Å; A549-C559 CarbonylContact C-O 3.57Å; A549-C559 WeakPolarHBondContact CA-O 3.32Å; A549-C559 WeakPolarHBondContact CB-O 2.92Å; L550-C559 PolarHBondContact N-O 2.82Å; L550-C559 PolarHBondContact O-N 3.08Å; C559-M567 WeakPolarHBondContact SG-CG 3.5Å; C559-R568 CarbonylContact C-O 3.48Å; C559-R568 WeakPolarHBondContact CA-O 3.13Å |
| 560 | A | 91.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 131.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L520 I546 S548 A549 M567 R568 F570 | L520-A560 HydrophobicContact CD1-CB 3.77Å; I546-A560 HydrophobicContact CG1-CB 4.35Å; S548-A560 CarbonylContact O-C 3.52Å; S548-A560 WeakPolarHBondContact O-CA 3.13Å; A549-A560 HydrophobicContact CB-CB 3.63Å; A560-M567 CarbonylContact O-C 3.43Å; A560-M567 WeakPolarHBondContact O-CA 3.43Å; A560-R568 PolarHBondContact N-O 2.87Å; A560-R568 PolarHBondContact O-N 3.3Å; A560-F570 HydrophobicContact CB-CE2 4.34Å |
| 561 | T | 91.6 | Very high | 86.5 | Confident | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.006 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 156.1 | 175.8 | 66 | 0 | 0 | 0 | 0 | 111 | V215 L218 T229 I546 K547 S548 | V215-T561 HydrophobicContact CB-CG2 4.35Å; V215-T561 HydrophobicContact CG1-CG2 3.62Å; V215-T561 WeakPolarHBondContact O-CB 3.37Å; V215-T561 PolarHBondContact O-OG1 2.89Å; L218-T561 HydrophobicContact CB-CG2 4.01Å; L218-T561 HydrophobicContact CD1-CG2 3.97Å; L218-T561 HydrophobicContact CD2-CG2 4.26Å; L218-T561 HydrophobicContact CG-CG2 4.3Å; T229-T561 HydrophobicContact CG2-CG2 3.88Å; I546-T561 WeakPolarHBondContact CA-O 3.45Å; K547-T561 PolarHBondContact N-O 3.32Å; S548-T561 PolarHBondContact N-OG1 2.72Å; S548-T561 PolarHBondContact O-N 2.86Å; S548-T561 PolarHBondContact O-OG1 3.17Å |
| 562 | T | 89.4 | Confident | 86.1 | Confident | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.012 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 165.2 | -176.4 | 60.5 | 0 | 0 | 0 | 0 | 112.7 | V215 L536 V545 L564 R566 | V215-T562 PolarHBondContact N-O 2.84Å; L536-T562 HydrophobicContact CD2-CG2 4.16Å; V545-T562 VanDerWaalsContact O-CA 3.26Å; V545-T562 WeakPolarHBondContact O-CA 3.44Å; T562-L564 PolarHBondContact O-N 2.63Å; T562-L564 PolarHBondContact OG1-N 2.73Å; T562-R566 PolarHBondContact N-O 3.15Å; T562-R566 WeakPolarHBondContact OG1-CB 3.26Å; T562-R566 PolarHBondContact OG1-N 3.24Å; T562-R566 VanDerWaalsContact OG1-N 3.16Å; T562-R566 PolarHBondContact OG1-O 2.83Å |
| 563 | N | 88.7 | Confident | 85.6 | Confident | 50 Ų | 50 | 19.5 Ų | 19.5 | 27% | 0.267 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -4.7 | 168.6 | 66.7 | -34.7 | 0 | 0 | 0 | 114.4 | S214 G543 A544 V545 K547 | S214-N563 WeakPolarHBondContact CA-O 3.29Å; S214-N563 WeakPolarHBondContact CB-O 3.45Å; G543-N563 PolarHBondContact O-ND2 3.09Å; G543-N563 PolarHBondContact O-OD1 2.91Å; A544-N563 WeakPolarHBondContact CA-OD1 3.43Å; V545-N563 PolarHBondContact N-OD1 3.02Å; V545-N563 PolarHBondContact O-N 2.9Å; V545-N563 VanDerWaalsContact O-N 3.1Å; V545-N563 PolarHBondContact O-OD1 3.13Å; K547-N563 HydrophobicContact CG-CB 4.35Å |
| 564 | L | 87.7 | Confident | 85.7 | Confident | 61 Ų | 61 | 26.2 Ų | 26.2 | 32% | 0.319 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | 29.9 | -178 | -55.3 | -175.6 | 0 | 0 | 0 | 112.9 | F209 A541 A544 T562 R566 | F209-L564 WeakPolarHBondContact CE2-O 3.47Å; A541-L564 HydrophobicContact CB-CD1 4.3Å; A544-L564 HydrophobicContact CB-CD1 3.63Å; A544-L564 HydrophobicContact CB-CG 4.28Å; T562-L564 PolarHBondContact O-N 2.63Å; T562-L564 PolarHBondContact OG1-N 2.73Å; L564-R566 WeakPolarHBondContact O-CG 3.27Å; L564-R566 PolarHBondContact O-N 2.81Å |
| 565 | G | 88.7 | Confident | 86.1 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | S | Bend | trans | 69.5 | 0.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | G210 H211 S213 | G210-G565 PolarHBondContact N-O 3.26Å; H211-G565 PolarHBondContact N-O 2.81Å; H211-G565 VanDerWaalsContact O-CA 3.3Å; H211-G565 WeakPolarHBondContact O-CA 3.44Å; S213-G565 WeakPolarHBondContact O-CA 3.47Å; S213-G565 PolarHBondContact O-N 2.7Å; S213-G565 VanDerWaalsContact O-N 3.13Å |
| 566 | R | 90.2 | Very high | 85.6 | Confident | 73 Ų | 73 | 30.2 Ų | 30.2 | 28% | 0.275 | 14% | 0.141 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 133.9 | -176.3 | -57.5 | -179.5 | -170.7 | -174.8 | 4.5 | 111.7 | V207 I208 F209 D539 T562 L564 | V207-R566 HydrophobicContact CG1-CB 4.33Å; I208-R566 CarbonylContact O-C 3.47Å; I208-R566 WeakPolarHBondContact O-CA 3.36Å; F209-R566 HydrophobicContact CB-CG 4.33Å; F209-R566 HydrophobicContact CD2-CG 3.94Å; F209-R566 HydrophobicContact CG-CG 4.43Å; D539-R566 IonicContact OD2-NH1 3.74Å; D539-R566 PolarHBondContact OD2-NH1 3.38Å; D539-R566 VanDerWaalsContact OD2-NH1 3.11Å; T562-R566 PolarHBondContact N-O 3.15Å; T562-R566 WeakPolarHBondContact OG1-CB 3.26Å; T562-R566 PolarHBondContact OG1-N 3.24Å; T562-R566 VanDerWaalsContact OG1-N 3.16Å; T562-R566 PolarHBondContact OG1-O 2.83Å; L564-R566 WeakPolarHBondContact O-CG 3.27Å; L564-R566 PolarHBondContact O-N 2.81Å |
| 567 | M | 91.3 | Very high | 85.1 | Confident | 7 Ų | 7 | 31.3 Ų | 31.3 | 3% | 0.034 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 133.8 | 170.6 | -172.7 | 177.8 | 65.3 | 0 | 0 | 109.8 | V207 I208 T229 W239 C559 A560 I569 | V207-M567 WeakPolarHBondContact CA-O 3.5Å; I208-M567 HydrophobicContact CD1-CE 3.64Å; I208-M567 HydrophobicContact CG1-CE 4.34Å; I208-M567 PolarHBondContact N-O 3.08Å; I208-M567 PolarHBondContact O-N 2.97Å; T229-M567 HydrophobicContact CG2-SD 3.84Å; W239-M567 HydrophobicContact CB-CE 4.02Å; W239-M567 HydrophobicContact CD2-CE 3.56Å; W239-M567 HydrophobicContact CD2-SD 4.47Å; W239-M567 HydrophobicContact CE3-CE 3.94Å; W239-M567 HydrophobicContact CG-CE 3.61Å; W239-M567 HydrophobicContact CG-SD 4.17Å; C559-M567 WeakPolarHBondContact SG-CG 3.5Å; A560-M567 CarbonylContact O-C 3.43Å; A560-M567 WeakPolarHBondContact O-CA 3.43Å; M567-I569 HydrophobicContact CE-CD1 4.25Å; M567-I569 HydrophobicContact CE-CG1 4.5Å |
| 568 | R | 91.1 | Very high | 84.5 | Confident | 5 Ų | 5 | 32.5 Ų | 32.5 | 2% | 0.019 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 119.3 | -178.6 | -56.8 | -177.4 | 94.1 | 113.9 | -10.8 | 110 | L204 K206 V207 L536 D538 C559 A560 F570 | L204-R568 HydrophobicContact CD1-CB 4.04Å; K206-R568 WeakPolarHBondContact O-CA 3.36Å; V207-R568 HydrophobicContact CG1-CG 4.28Å; V207-R568 HydrophobicContact CG2-CG 4.18Å; L536-R568 VanDerWaalsContact O-CZ 3.26Å; L536-R568 PolarHBondContact O-NH1 3.27Å; L536-R568 PolarHBondContact O-NH2 2.87Å; L536-R568 VanDerWaalsContact O-NH2 3.08Å; D538-R568 IonicContact OD2-NH2 3.62Å; D538-R568 PolarHBondContact OD2-NH2 2.96Å; C559-R568 CarbonylContact C-O 3.48Å; C559-R568 WeakPolarHBondContact CA-O 3.13Å; A560-R568 PolarHBondContact N-O 2.87Å; A560-R568 PolarHBondContact O-N 3.3Å; R568-F570 HydrophobicContact CB-CD2 4.36Å; R568-F570 HydrophobicContact CB-CE2 3.57Å; R568-F570 HydrophobicContact CB-CZ 4.06Å |
| 569 | I | 91.2 | Very high | 84 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 129.9 | 178.8 | -58.6 | 173.4 | 0 | 0 | 0 | 109 | Q205 K206 I208 A244 M567 | Q205-I569 WeakPolarHBondContact CB-O 3.48Å; Q205-I569 PolarHBondContact N-O 2.87Å; K206-I569 PolarHBondContact N-O 3.06Å; K206-I569 PolarHBondContact O-N 3Å; I208-I569 HydrophobicContact CD1-CD1 4.35Å; A244-I569 HydrophobicContact CB-CD1 4.03Å; M567-I569 HydrophobicContact CE-CD1 4.25Å; M567-I569 HydrophobicContact CE-CG1 4.5Å |
| 570 | F | 91.7 | Very high | 83.9 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 151.9 | 180 | -59.4 | -97.7 | 0 | 0 | 0 | 110.8 | N203 L204 L520 F532 S534 R557 L558 A560 R568 | N203-F570 WeakPolarHBondContact O-CA 3.4Å; L204-F570 HydrophobicContact CB-CD1 4.06Å; L204-F570 HydrophobicContact CB-CE1 3.91Å; L204-F570 HydrophobicContact CD1-CD1 4.08Å; L204-F570 HydrophobicContact CD1-CE1 3.71Å; L204-F570 HydrophobicContact CD1-CE2 4.27Å; L204-F570 HydrophobicContact CD1-CZ 3.83Å; L204-F570 HydrophobicContact CG-CE1 4.35Å; L520-F570 HydrophobicContact CD1-CE2 4.42Å; F532-F570 HydrophobicContact CE1-CD1 4.02Å; F532-F570 HydrophobicContact CE1-CE1 4.27Å; F532-F570 AromaticContact CZ-CD1 3.72Å; F532-F570 HydrophobicContact CZ-CD1 3.72Å; F532-F570 HydrophobicContact CZ-CE1 4Å; S534-F570 VanDerWaalsContact OG-CE1 3.3Å; S534-F570 WeakPolarHBondContact OG-CE1 3.12Å; R557-F570 CarbonylContact C-O 3.53Å; R557-F570 VanDerWaalsContact CA-O 3.22Å; R557-F570 WeakPolarHBondContact CA-O 3.28Å; R557-F570 VanDerWaalsContact CB-O 3.3Å; R557-F570 WeakPolarHBondContact CB-O 3.39Å; L558-F570 HydrophobicContact CD1-CB 3.97Å; L558-F570 HydrophobicContact CD1-CD2 3.47Å; L558-F570 VanDerWaalsContact CD1-CD2 3.47Å; L558-F570 HydrophobicContact CD1-CE2 4.19Å; L558-F570 HydrophobicContact CD1-CG 3.99Å; L558-F570 HydrophobicContact CG-CB 4.01Å; L558-F570 HydrophobicContact CG-CD2 4.43Å; L558-F570 PolarHBondContact N-O 3.18Å; L558-F570 PolarHBondContact O-N 2.8Å; A560-F570 HydrophobicContact CB-CE2 4.34Å; R568-F570 HydrophobicContact CB-CD2 4.36Å; R568-F570 HydrophobicContact CB-CE2 3.57Å; R568-F570 HydrophobicContact CB-CZ 4.06Å |
| 571 | G | 87.7 | Confident | 83.7 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165.4 | -172.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | N203 | N203-G571 PolarHBondContact N-O 3.19Å; N203-G571 PolarHBondContact O-N 3.09Å; N203-G571 VanDerWaalsContact O-N 3.15Å; N203-G571 PolarHBondContact OD1-O 2.97Å |
| 572 | V | 79.6 | Confident | 83.8 | Confident | 12 Ų | 12 | 43.6 Ų | 43.6 | 7% | 0.073 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 122.1 | -178.5 | -174 | 0 | 0 | 0 | 0 | 112.1 | N159 F161 I198 R201 F202 Q205 | N159-V572 HydrophobicContact CB-CG1 4.44Å; N159-V572 VanDerWaalsContact O-CG1 3.29Å; N159-V572 WeakPolarHBondContact O-CG1 3.41Å; F161-V572 HydrophobicContact CE2-CB 4.4Å; I198-V572 HydrophobicContact CG2-CG2 3.57Å; I198-V572 WeakPolarHBondContact O-CG2 3.29Å; R201-V572 HydrophobicContact CB-CG1 4.18Å; R201-V572 HydrophobicContact CB-CG2 4.2Å; F202-V572 HydrophobicContact CD1-CG2 3.82Å; F202-V572 HydrophobicContact CE1-CG2 4.16Å; Q205-V572 PolarHBondContact NE2-O 3.38Å |
| 573 | G | 72.2 | Confident | 84 | Confident | 13 Ų | 13 | 43.6 Ų | 43.6 | 13% | 0.134 | 22% | 0.217 | C | C | . | . | S | Bend | trans | 84.5 | -159.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | N203 Q205 | N203-G573 PolarHBondContact ND2-O 3.11Å; N203-G573 WeakPolarHBondContact OD1-CA 3.18Å; N203-G573 PolarHBondContact OD1-N 3.01Å; N203-G573 PolarHBondContact OD1-O 3.38Å; Q205-G573 WeakPolarHBondContact CG-O 3.42Å; Q205-G573 PolarHBondContact NE2-O 3.36Å |
| 574 | K | 73.6 | Confident | 84.2 | Confident | 185 Ų | 185 | 41.5 Ų | 41.5 | 80% | 0.804 | 21% | 0.206 | S | C | * | . | trans | -102.2 | 144.7 | -179 | -62.2 | -172.5 | 178.7 | -173.6 | 0 | 111.5 | N159 | N159-K574 PolarHBondContact ND2-N 3.3Š| ||
| 575 | L | 77 | Confident | 84.4 | Confident | 20 Ų | 20 | 38.8 Ų | 38.8 | 11% | 0.105 | 19% | 0.191 | C | C | . | . | trans | -63.8 | 151.3 | 172.1 | -58.5 | 174.6 | 0 | 0 | 0 | 111.1 | Q205 K206 A244 P578 | Q205-L575 HydrophobicContact CB-CD1 4.47Å; Q205-L575 HydrophobicContact CB-CD2 4.29Å; Q205-L575 HydrophobicContact CB-CG 4.09Å; K206-L575 HydrophobicContact CB-CD1 3.8Å; K206-L575 HydrophobicContact CG-CD1 4.47Å; A244-L575 HydrophobicContact CB-CD1 3.47Å; A244-L575 VanDerWaalsContact CB-CD1 3.47Å; L575-P578 HydrophobicContact CB-CB 4.44Å; L575-P578 HydrophobicContact CD1-CB 4.29Å | ||
| 576 | K | 68.2 | Low | 84.2 | Confident | 141 Ų | 141 | 38.9 Ų | 38.9 | 61% | 0.613 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -66.8 | -40.1 | -175 | -71.7 | 179.9 | 179.1 | 165.3 | 0 | 113.7 | E242 | E242-K576 HydrophobicContact CG-CD 4.47Å; E242-K576 VanDerWaalsContact OE1-CD 3.26Å; E242-K576 WeakPolarHBondContact OE1-CD 3.43Å; E242-K576 WeakPolarHBondContact OE1-CE 3.47Å; E242-K576 IonicContact OE1-NZ 3.2Å; E242-K576 PolarHBondContact OE1-NZ 3.28Å |
| 577 | A | 68.6 | Low | 84.1 | Confident | 40 Ų | 40 | 35.7 Ų | 35.7 | 33% | 0.331 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -158.5 | 74.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 578 | P | 72.6 | Confident | 83.9 | Confident | 69 Ų | 69 | 35.5 Ų | 35.5 | 45% | 0.448 | 18% | 0.179 | S | C | . | . | trans | -65 | 140.6 | -177.4 | 27.9 | -34.6 | 0 | 0 | 0 | 111.9 | K206 H243 L575 | K206-P578 HydrophobicContact CD-CB 4.34Å; H243-P578 WeakPolarHBondContact O-CA 3.37Å; L575-P578 HydrophobicContact CB-CB 4.44Å; L575-P578 HydrophobicContact CD1-CB 4.29Å | ||
| 579 | G | 79.5 | Confident | 83.6 | Confident | 7 Ų | 7 | 37.4 Ų | 37.4 | 7% | 0.072 | 19% | 0.188 | C | C | . | . | trans | -69.3 | -176.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | K206 A244 | K206-G579 PolarHBondContact NZ-O 3.43Å; A244-G579 PolarHBondContact O-N 3.14Å | ||
| 580 | P | 89.2 | Confident | 83.2 | Confident | 15 Ų | 15 | 38 Ų | 38 | 10% | 0.097 | 19% | 0.192 | C | C | . | . | trans | -60.5 | 167.8 | 175.1 | 20.9 | -28.3 | 0 | 0 | 0 | 112.9 | K206 E582 Q583 L617 Y625 M629 | K206-P580 VanDerWaalsContact CE-O 3.27Å; K206-P580 WeakPolarHBondContact CE-O 3.43Å; K206-P580 PolarHBondContact NZ-O 3.04Å; P580-E582 VanDerWaalsContact C-N 3.29Å; P580-E582 WeakPolarHBondContact CG-O 3.41Å; P580-Q583 HydrophobicContact CG-CG 3.99Å; P580-Q583 PolarHBondContact O-NE2 2.86Å; P580-L617 HydrophobicContact CG-CD2 3.76Å; P580-Y625 HydrophobicContact CB-CD1 4.48Å; P580-Y625 HydrophobicContact CB-CD2 4.46Å; P580-Y625 HydrophobicContact CB-CE1 3.91Å; P580-Y625 HydrophobicContact CB-CE2 3.84Å; P580-Y625 HydrophobicContact CG-CD2 3.98Å; P580-Y625 HydrophobicContact CG-CE1 4.45Å; P580-Y625 HydrophobicContact CG-CE2 3.64Å; P580-Y625 HydrophobicContact CG-CG 4.49Å; P580-M629 HydrophobicContact CB-SD 4.25Å; P580-M629 HydrophobicContact CG-SD 4.39Å | ||
| 581 | K | 88.4 | Confident | 82.3 | Confident | 157 Ų | 157 | 39 Ų | 39 | 68% | 0.683 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -66.9 | -32.7 | 178.2 | -81.3 | -170.9 | 178.7 | -177 | 0 | 111.9 | I208 F209 | I208-K581 CarbonylContact C-O 3.59Å; I208-K581 VanDerWaalsContact CA-O 3.31Å; I208-K581 WeakPolarHBondContact CA-O 3.19Å; F209-K581 PolarHBondContact N-O 3.47Å |
| 582 | E | 92.6 | Very high | 82 | Confident | 55 Ų | 55 | 39.6 Ų | 39.6 | 26% | 0.257 | 21% | 0.205 | S | C | . | . | B | Isolated β-bridge | trans | -115.7 | 137.5 | -179.5 | -56.7 | 166.5 | -152.3 | 0 | 0 | 107.7 | F209 P580 F584 N619 N620 Y625 | F209-E582 HydrophobicContact CB-CG 4.17Å; F209-E582 HydrophobicContact CD1-CG 4.09Å; F209-E582 CarbonylContact O-C 3.59Å; F209-E582 VanDerWaalsContact O-CA 3.28Å; F209-E582 WeakPolarHBondContact O-CA 3.22Å; P580-E582 VanDerWaalsContact C-N 3.29Å; P580-E582 WeakPolarHBondContact CG-O 3.41Å; E582-F584 HydrophobicContact CB-CE2 4.48Å; E582-N619 HydrophobicContact CB-CB 4.28Å; E582-N619 VanDerWaalsContact OE2-CB 3.3Å; E582-N619 WeakPolarHBondContact OE2-CB 3.35Å; E582-N619 PolarHBondContact OE2-ND2 3.25Å; E582-N619 VanDerWaalsContact OE2-ND2 3.15Å; E582-N620 WeakPolarHBondContact OE2-CB 3.21Å; E582-N620 PolarHBondContact OE2-N 2.75Å; E582-Y625 WeakPolarHBondContact O-CE2 3.44Å; E582-Y625 PolarHBondContact O-OH 3.2Å |
| 583 | Q | 94 | Very high | 81.9 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 1% | 0.014 | 22% | 0.219 | C | C | . | . | trans | -144.9 | 92.3 | -172.8 | -70.1 | -174.9 | 42.6 | 0 | 0 | 110.9 | I208 F209 W239 A244 R245 L246 P580 | I208-Q583 HydrophobicContact CG2-CB 3.98Å; I208-Q583 HydrophobicContact CG2-CG 4.01Å; F209-Q583 PolarHBondContact O-N 3.33Å; W239-Q583 HydrophobicContact CH2-CB 4.05Å; W239-Q583 HydrophobicContact CZ3-CB 3.83Å; A244-Q583 PolarHBondContact O-NE2 3.09Å; A244-Q583 PolarHBondContact O-OE1 3.47Å; R245-Q583 VanDerWaalsContact CA-OE1 3.28Å; L246-Q583 HydrophobicContact CB-CB 4.35Å; P580-Q583 HydrophobicContact CG-CG 3.99Å; P580-Q583 PolarHBondContact O-NE2 2.86Å | ||
| 584 | F | 93.4 | Very high | 82.2 | Confident | 5 Ų | 5 | 46 Ų | 46 | 2% | 0.022 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 158.5 | 173.6 | -61.4 | -91.3 | 0 | 0 | 0 | 109.7 | F209 G210 L212 E582 D588 F589 L617 V618 N620 | F209-F584 HydrophobicContact CD1-CE2 4.32Å; G210-F584 VanDerWaalsContact C-CE1 3.42Å; L212-F584 HydrophobicContact CD2-CE1 3.86Å; L212-F584 HydrophobicContact CD2-CZ 3.87Å; L212-F584 HydrophobicContact CG-CE1 4.1Å; E582-F584 HydrophobicContact CB-CE2 4.48Å; F584-D588 WeakPolarHBondContact CA-OD2 3.34Å; F584-F589 HydrophobicContact CD1-CE2 4.41Å; F584-L617 WeakPolarHBondContact O-CA 3.36Å; F584-V618 HydrophobicContact CB-CG2 3.88Å; F584-V618 PolarHBondContact N-O 3.31Å; F584-V618 VanDerWaalsContact N-O 3.09Å; F584-V618 PolarHBondContact O-N 3.49Å; F584-N620 HydrophobicContact CE2-CB 4.15Å |
| 585 | F | 91.8 | Very high | 82.2 | Confident | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 139.1 | 165.8 | -65.2 | -38.9 | 0 | 0 | 0 | 108.7 | L246 T249 T587 D588 P615 L617 V633 | L246-F585 HydrophobicContact CB-CZ 4.33Å; L246-F585 HydrophobicContact CD2-CD1 4.03Å; L246-F585 HydrophobicContact CD2-CD2 3.72Å; L246-F585 HydrophobicContact CD2-CE1 3.91Å; L246-F585 HydrophobicContact CD2-CE2 3.61Å; L246-F585 HydrophobicContact CD2-CG 3.93Å; L246-F585 HydrophobicContact CD2-CZ 3.71Å; L246-F585 HydrophobicContact CG-CD2 4.31Å; L246-F585 HydrophobicContact CG-CE1 4.23Å; L246-F585 HydrophobicContact CG-CE2 3.69Å; L246-F585 HydrophobicContact CG-CZ 3.65Å; T249-F585 WeakPolarHBondContact OG1-CD2 3.38Å; F585-T587 PolarHBondContact O-N 2.86Å; F585-D588 PolarHBondContact N-OD2 2.98Å; F585-D588 WeakPolarHBondContact O-CB 3.49Å; F585-D588 PolarHBondContact O-N 2.84Å; F585-P615 HydrophobicContact CB-CB 3.93Å; F585-P615 HydrophobicContact CB-CG 3.72Å; F585-P615 HydrophobicContact CD1-CB 4.43Å; F585-P615 HydrophobicContact CD1-CG 3.77Å; F585-P615 HydrophobicContact CD2-CG 3.77Å; F585-P615 HydrophobicContact CE1-CG 4.27Å; F585-P615 HydrophobicContact CE2-CG 4.26Å; F585-P615 HydrophobicContact CG-CB 4.2Å; F585-P615 HydrophobicContact CG-CG 3.49Å; F585-P615 VanDerWaalsContact CG-CG 3.49Å; F585-P615 HydrophobicContact CZ-CG 4.49Å; F585-L617 HydrophobicContact CD1-CD1 4.19Å; F585-L617 HydrophobicContact CE1-CD1 4.06Å; F585-V633 HydrophobicContact CE1-CG1 3.87Å; F585-V633 HydrophobicContact CE1-CG2 4.09Å; F585-V633 HydrophobicContact CZ-CG1 4.22Å |
| 586 | H | 84.9 | Confident | 82 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.019 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -20.8 | 179.5 | 73.6 | -78.7 | 0 | 0 | 0 | 113.7 | F616 V618 | H586-F616 AromaticContact CE1-CD2 3.7Å; H586-F616 PolarHBondContact CE1-N 3.38Å; H586-F616 PolarHBondContact N-O 2.91Å; H586-F616 PolarHBondContact ND1-N 3.47Å; H586-F616 PolarHBondContact ND1-O 3.35Å; H586-V618 HydrophobicContact CB-CG1 4.05Å; H586-V618 HydrophobicContact CB-CG2 4.45Å |
| 587 | T | 87 | Confident | 82.2 | Confident | 5 Ų | 5 | 42.9 Ų | 42.9 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -7.9 | 174.7 | 53.8 | 0 | 0 | 0 | 0 | 114.3 | R251 F585 F589 V590 P615 | R251-T587 WeakPolarHBondContact CD-O 3.36Å; R251-T587 PolarHBondContact NH1-O 3.24Å; F585-T587 PolarHBondContact O-N 2.86Å; T587-F589 PolarHBondContact O-N 3.35Å; T587-F589 VanDerWaalsContact O-N 3.08Å; T587-V590 HydrophobicContact CG2-CG2 4.5Å; T587-V590 WeakPolarHBondContact O-CB 3.46Å; T587-V590 PolarHBondContact O-N 3.05Å; T587-P615 HydrophobicContact CG2-CB 4.16Å; T587-P615 WeakPolarHBondContact OG1-CB 3.34Å |
| 588 | D | 88.1 | Confident | 82 | Confident | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | -42.2 | -175.1 | -82.4 | -25 | 0 | 0 | 0 | 112.3 | L235 K237 T249 R251 F584 F585 | L235-D588 HydrophobicContact CD1-CB 3.89Å; L235-D588 WeakPolarHBondContact CD2-O 3.19Å; K237-D588 IonicContact NZ-OD1 3.18Å; K237-D588 PolarHBondContact NZ-OD1 3.29Å; K237-D588 IonicContact NZ-OD2 3.27Å; K237-D588 PolarHBondContact NZ-OD2 2.79Å; T249-D588 WeakPolarHBondContact CB-OD1 3.25Å; T249-D588 VanDerWaalsContact CG2-OD1 3.3Å; T249-D588 WeakPolarHBondContact CG2-OD1 3.22Å; T249-D588 PolarHBondContact OG1-OD1 2.58Å; R251-D588 WeakPolarHBondContact CD-O 3.24Å; F584-D588 WeakPolarHBondContact CA-OD2 3.34Å; F585-D588 PolarHBondContact N-OD2 2.98Å; F585-D588 WeakPolarHBondContact O-CB 3.49Å; F585-D588 PolarHBondContact O-N 2.84Å |
| 589 | F | 85 | Confident | 81.9 | Confident | 45 Ų | 45 | 43.5 Ų | 43.5 | 20% | 0.197 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 11.4 | -177.3 | -54 | -76.2 | 0 | 0 | 0 | 114 | L212 L235 F584 T587 L655 V662 | L212-F589 HydrophobicContact CB-CZ 4.42Å; L212-F589 HydrophobicContact CD1-CD2 4.31Å; L212-F589 HydrophobicContact CD1-CE1 3.94Å; L212-F589 HydrophobicContact CD1-CE2 3.58Å; L212-F589 HydrophobicContact CD1-CZ 3.37Å; L212-F589 HydrophobicContact CG-CE1 4.44Å; L212-F589 HydrophobicContact CG-CE2 4.02Å; L212-F589 HydrophobicContact CG-CZ 3.62Å; L235-F589 HydrophobicContact CD1-CD1 4.46Å; L235-F589 HydrophobicContact CD1-CE1 3.67Å; L235-F589 HydrophobicContact CD1-CE2 4.35Å; L235-F589 HydrophobicContact CD1-CZ 3.59Å; L235-F589 HydrophobicContact CG-CE1 4.25Å; F584-F589 HydrophobicContact CD1-CE2 4.41Å; T587-F589 PolarHBondContact O-N 3.35Å; T587-F589 VanDerWaalsContact O-N 3.08Å; F589-L655 HydrophobicContact CB-CD2 3.7Å; F589-L655 HydrophobicContact CD1-CD2 4.09Å; F589-L655 HydrophobicContact CG-CD2 3.9Å; F589-V662 HydrophobicContact CB-CG2 4.27Å; F589-V662 HydrophobicContact CD2-CG1 4.42Å; F589-V662 HydrophobicContact CD2-CG2 3.85Å; F589-V662 HydrophobicContact CG-CG2 4.24Å |
| 590 | V | 81.6 | Confident | 81.7 | Confident | 14 Ų | 14 | 47.9 Ų | 47.9 | 9% | 0.085 | 26% | 0.259 | C | S | . | . | trans | -68.9 | 130.2 | 167.3 | 172 | 0 | 0 | 0 | 0 | 108.6 | R251 T587 D602 E603 E604 I664 | R251-V590 PolarHBondContact NH1-O 3.14Å; T587-V590 HydrophobicContact CG2-CG2 4.5Å; T587-V590 WeakPolarHBondContact O-CB 3.46Å; T587-V590 PolarHBondContact O-N 3.05Å; V590-D602 WeakPolarHBondContact CG1-OD1 3.41Å; V590-E603 HydrophobicContact CG1-CB 4.38Å; V590-E604 HydrophobicContact CG1-CB 4.22Å; V590-I664 HydrophobicContact CG2-CD1 3.84Å; V590-I664 HydrophobicContact CG2-CG2 3.69Å | ||
| 591 | G | 73.2 | Confident | 81.3 | Confident | 23 Ų | 23 | 48.2 Ų | 48.2 | 24% | 0.237 | 26% | 0.26 | C | S | . | . | trans | -64 | 155 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E603 | G591-E603 WeakPolarHBondContact O-CB 3.48Å; G591-E603 PolarHBondContact O-N 2.75Å | ||
| 592 | L | 82 | Confident | 81 | Confident | 11 Ų | 11 | 40.8 Ų | 40.8 | 6% | 0.058 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 136.9 | 163.8 | -53 | -166.7 | 0 | 0 | 0 | 110 | R254 W600 L601 D602 P609 | R254-L592 PolarHBondContact NH2-O 2.81Å; L592-W600 HydrophobicContact CB-CE3 3.89Å; L592-W600 HydrophobicContact CD1-CB 4.27Å; L592-L601 CarbonylContact C-O 3.55Å; L592-L601 WeakPolarHBondContact CA-O 3.3Å; L592-D602 HydrophobicContact CD2-CB 4.48Å; L592-P609 HydrophobicContact CD1-CG 3.7Å; L592-P609 HydrophobicContact CD2-CG 3.52Å; L592-P609 HydrophobicContact CG-CG 4.3Å |
| 593 | V | 77.8 | Confident | 80.3 | Confident | 58 Ų | 58 | 42.3 Ų | 42.3 | 35% | 0.352 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 139.5 | 178.5 | 177.8 | 0 | 0 | 0 | 0 | 108.3 | L601 E603 | V593-L601 PolarHBondContact N-O 2.8Å; V593-L601 PolarHBondContact O-N 3.39Å; V593-E603 HydrophobicContact CG2-CB 3.86Å; V593-E603 HydrophobicContact CG2-CG 3.8Å |
| 594 | Q | 77.9 | Confident | 79.1 | Confident | 103 Ų | 103 | 43.3 Ų | 43.3 | 48% | 0.481 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 134.3 | 176.9 | -155.8 | 171 | 16.6 | 0 | 0 | 109.9 | G598 D599 W600 | Q594-G598 WeakPolarHBondContact CG-O 3.4Å; Q594-G598 PolarHBondContact NE2-O 3.33Å; Q594-D599 VanDerWaalsContact CA-O 3.29Å; Q594-D599 WeakPolarHBondContact CA-O 3.44Å; Q594-W600 HydrophobicContact CB-CE3 4.43Å; Q594-W600 HydrophobicContact CB-CH2 4.46Å; Q594-W600 HydrophobicContact CB-CZ3 4.37Å |
| 595 | N | 74.4 | Confident | 77.9 | Confident | 43 Ų | 43 | 45.7 Ų | 45.7 | 23% | 0.23 | 25% | 0.248 | C | C | . | . | trans | -78 | -176.3 | 173.5 | 70.7 | -3.6 | 0 | 0 | 0 | 111.6 | D597 G598 D599 L601 | N595-D597 PolarHBondContact ND2-OD2 3.19Å; N595-D597 PolarHBondContact O-N 3.29Å; N595-D597 WeakPolarHBondContact OD1-CA 3.28Å; N595-D597 PolarHBondContact OD1-N 3.29Å; N595-G598 PolarHBondContact OD1-N 3.11Å; N595-D599 PolarHBondContact N-O 3.01Å; N595-D599 PolarHBondContact ND2-OD2 2.88Å; N595-D599 PolarHBondContact OD1-N 3.38Å; N595-D599 PolarHBondContact OD1-O 2.67Å; N595-L601 HydrophobicContact CB-CD1 3.86Å; N595-L601 HydrophobicContact CB-CG 4.28Å | ||
| 596 | S | 71.5 | Confident | 77.2 | Confident | 114 Ų | 114 | 50.5 Ų | 50.5 | 80% | 0.797 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -24.6 | 173.1 | 43.2 | 0 | 0 | 0 | 0 | 114 | ||
| 597 | D | 72.2 | Confident | 76.7 | Confident | 122 Ų | 122 | 54.2 Ų | 54.2 | 65% | 0.652 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -9 | -164 | -40.5 | -34.5 | 0 | 0 | 0 | 111.4 | N595 | N595-D597 PolarHBondContact ND2-OD2 3.19Å; N595-D597 PolarHBondContact O-N 3.29Å; N595-D597 WeakPolarHBondContact OD1-CA 3.28Å; N595-D597 PolarHBondContact OD1-N 3.29Å |
| 598 | G | 65.9 | Low | 76.3 | Confident | 33 Ų | 33 | 55.4 Ų | 55.4 | 34% | 0.34 | 29% | 0.292 | S | S | . | . | S | Bend | trans | 104.9 | -8.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q594 N595 | Q594-G598 WeakPolarHBondContact CG-O 3.4Å; Q594-G598 PolarHBondContact NE2-O 3.33Å; N595-G598 PolarHBondContact OD1-N 3.11Å |
| 599 | D | 70.1 | Confident | 76 | Confident | 89 Ų | 89 | 56.3 Ų | 56.3 | 48% | 0.476 | 30% | 0.299 | S | S | . | . | trans | -71.1 | 141.3 | -179.8 | -62.1 | -59.4 | 0 | 0 | 0 | 112.7 | Q594 N595 L601 | Q594-D599 VanDerWaalsContact CA-O 3.29Å; Q594-D599 WeakPolarHBondContact CA-O 3.44Å; N595-D599 PolarHBondContact N-O 3.01Å; N595-D599 PolarHBondContact ND2-OD2 2.88Å; N595-D599 PolarHBondContact OD1-N 3.38Å; N595-D599 PolarHBondContact OD1-O 2.67Å; D599-L601 HydrophobicContact CB-CD2 4.24Å; D599-L601 PolarHBondContact O-N 3.43Å | ||
| 600 | W | 75.9 | Confident | 75.8 | Confident | 99 Ų | 99 | 55.8 Ų | 55.8 | 38% | 0.375 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 103.6 | 172.2 | -69.5 | 90.9 | 0 | 0 | 0 | 110.6 | L592 Q594 P608 P609 | L592-W600 HydrophobicContact CB-CE3 3.89Å; L592-W600 HydrophobicContact CD1-CB 4.27Å; Q594-W600 HydrophobicContact CB-CE3 4.43Å; Q594-W600 HydrophobicContact CB-CH2 4.46Å; Q594-W600 HydrophobicContact CB-CZ3 4.37Å; W600-P608 WeakPolarHBondContact O-CA 3.31Å; W600-P609 WeakPolarHBondContact O-CD 3.3Å |
| 601 | L | 80.7 | Confident | 75.5 | Confident | 23 Ų | 23 | 57.5 Ų | 57.5 | 12% | 0.12 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 149.3 | 175 | -52.2 | -174.8 | 0 | 0 | 0 | 110.8 | L592 V593 N595 D599 P608 | L592-L601 CarbonylContact C-O 3.55Å; L592-L601 WeakPolarHBondContact CA-O 3.3Å; V593-L601 PolarHBondContact N-O 2.8Å; V593-L601 PolarHBondContact O-N 3.39Å; N595-L601 HydrophobicContact CB-CD1 3.86Å; N595-L601 HydrophobicContact CB-CG 4.28Å; D599-L601 HydrophobicContact CB-CD2 4.24Å; D599-L601 PolarHBondContact O-N 3.43Å; L601-P608 HydrophobicContact CD2-CG 3.99Å |
| 602 | D | 81.5 | Confident | 75.7 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 130.4 | 163.2 | -175 | -75.5 | 0 | 0 | 0 | 110.4 | R251 V590 L592 E604 W605 Q606 R607 V612 | R251-D602 IonicContact CZ-OD2 3.72Å; R251-D602 IonicContact NH1-OD2 3.92Å; R251-D602 PolarHBondContact NH1-OD2 3.49Å; R251-D602 IonicContact NH2-OD2 3.81Å; R251-D602 PolarHBondContact NH2-OD2 3.2Å; V590-D602 WeakPolarHBondContact CG1-OD1 3.41Å; L592-D602 HydrophobicContact CD2-CB 4.48Å; D602-E604 PolarHBondContact O-N 3.02Å; D602-E604 WeakPolarHBondContact OD1-CB 3.5Å; D602-E604 PolarHBondContact OD1-N 2.66Å; D602-W605 HydrophobicContact CB-CB 4.22Å; D602-W605 PolarHBondContact OD1-N 3.27Å; D602-Q606 WeakPolarHBondContact O-CA 3.31Å; D602-Q606 PolarHBondContact O-N 2.96Å; D602-R607 VanDerWaalsContact CB-O 3.3Å; D602-R607 WeakPolarHBondContact CB-O 3.22Å; D602-R607 PolarHBondContact N-O 3.2Å; D602-V612 HydrophobicContact CB-CG2 3.86Å |
| 603 | E | 78.2 | Confident | 75.2 | Confident | 88 Ų | 88 | 57.8 Ų | 57.8 | 41% | 0.411 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -32.6 | -175.2 | -174.6 | 168.2 | -178.4 | 0 | 0 | 112.7 | V590 G591 V593 Q606 | V590-E603 HydrophobicContact CG1-CB 4.38Å; G591-E603 WeakPolarHBondContact O-CB 3.48Å; G591-E603 PolarHBondContact O-N 2.75Å; V593-E603 HydrophobicContact CG2-CB 3.86Å; V593-E603 HydrophobicContact CG2-CG 3.8Å; E603-Q606 PolarHBondContact O-NE2 3.4Å |
| 604 | E | 68.6 | Low | 75.3 | Confident | 24 Ų | 24 | 55.2 Ų | 55.2 | 11% | 0.112 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -43.7 | -177.5 | 176.3 | 173.7 | -99 | 0 | 0 | 112.3 | V590 D602 P667 | V590-E604 HydrophobicContact CG1-CB 4.22Å; D602-E604 PolarHBondContact O-N 3.02Å; D602-E604 WeakPolarHBondContact OD1-CB 3.5Å; D602-E604 PolarHBondContact OD1-N 2.66Å; E604-P667 HydrophobicContact CG-CG 4.27Å; E604-P667 WeakPolarHBondContact OE1-CD 3.47Å; E604-P667 WeakPolarHBondContact OE2-CD 3.2Å |
| 605 | W | 68.3 | Low | 75.7 | Confident | 55 Ų | 55 | 50.5 Ų | 50.5 | 21% | 0.208 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -11.8 | -173.8 | -69.3 | 75.9 | 0 | 0 | 0 | 114.3 | D602 R607 V612 E613 P667 | D602-W605 HydrophobicContact CB-CB 4.22Å; D602-W605 PolarHBondContact OD1-N 3.27Å; W605-R607 PolarHBondContact O-N 3.46Å; W605-V612 HydrophobicContact CB-CG1 4.3Å; W605-V612 HydrophobicContact CB-CG2 3.98Å; W605-V612 HydrophobicContact CD2-CG1 3.84Å; W605-V612 HydrophobicContact CE3-CG1 4.46Å; W605-V612 HydrophobicContact CG-CG1 3.71Å; W605-V612 HydrophobicContact CG-CG2 4.28Å; W605-E613 HydrophobicContact CH2-CB 4.08Å; W605-E613 HydrophobicContact CH2-CG 4.24Å; W605-E613 HydrophobicContact CZ3-CB 4.15Å; W605-E613 HydrophobicContact CZ3-CG 3.88Å; W605-P667 HydrophobicContact CH2-CG 4.14Å; W605-P667 HydrophobicContact CZ2-CB 4.35Å; W605-P667 HydrophobicContact CZ2-CG 3.44Å; W605-P667 VanDerWaalsContact CZ2-CG 3.44Å |
| 606 | Q | 76.4 | Confident | 76.4 | Confident | 104 Ų | 104 | 49 Ų | 49 | 49% | 0.486 | 25% | 0.254 | S | S | . | . | S | Bend | trans | 51.4 | 39.9 | -177.1 | -60.8 | -66.1 | -54.6 | 0 | 0 | 112.3 | D602 E603 | D602-Q606 WeakPolarHBondContact O-CA 3.31Å; D602-Q606 PolarHBondContact O-N 2.96Å; E603-Q606 PolarHBondContact O-NE2 3.4Å |
| 607 | R | 74.7 | Confident | 77.3 | Confident | 83 Ų | 83 | 43.8 Ų | 43.8 | 31% | 0.313 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -141.8 | 150.2 | -179 | -73.2 | 179.2 | -176.3 | 179.4 | 3.9 | 110.4 | D602 W605 V612 | D602-R607 VanDerWaalsContact CB-O 3.3Å; D602-R607 WeakPolarHBondContact CB-O 3.22Å; D602-R607 PolarHBondContact N-O 3.2Å; W605-R607 PolarHBondContact O-N 3.46Å; R607-V612 HydrophobicContact CB-CG2 4.44Å |
| 608 | P | 79.3 | Confident | 78.2 | Confident | 29 Ų | 29 | 38.1 Ų | 38.1 | 19% | 0.188 | 19% | 0.187 | C | C | . | . | trans | -53.1 | 141.2 | 171.6 | -25.1 | 34.1 | 0 | 0 | 0 | 112 | W600 L601 H610 L611 V612 | W600-P608 WeakPolarHBondContact O-CA 3.31Å; L601-P608 HydrophobicContact CD2-CG 3.99Å; P608-H610 VanDerWaalsContact CB-CE1 3.42Å; P608-H610 WeakPolarHBondContact CB-CE1 3.36Å; P608-H610 PolarHBondContact O-N 2.95Å; P608-L611 HydrophobicContact CB-CD1 4.35Å; P608-L611 HydrophobicContact CB-CG 4.24Å; P608-L611 HydrophobicContact CG-CD1 4.04Å; P608-L611 HydrophobicContact CG-CG 4.47Å; P608-L611 WeakPolarHBondContact O-CA 3.42Å; P608-L611 WeakPolarHBondContact O-CB 3.46Å; P608-L611 PolarHBondContact O-N 3.37Å; P608-V612 PolarHBondContact O-N 3.29Å | ||
| 609 | P | 81.6 | Confident | 79.3 | Confident | 23 Ų | 23 | 37.2 Ų | 37.2 | 15% | 0.149 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -54.8 | -29 | -172.6 | -33.6 | 38.1 | 0 | 0 | 0 | 116.8 | L592 W600 L611 | L592-P609 HydrophobicContact CD1-CG 3.7Å; L592-P609 HydrophobicContact CD2-CG 3.52Å; L592-P609 HydrophobicContact CG-CG 4.3Å; W600-P609 WeakPolarHBondContact O-CD 3.3Å; P609-L611 VanDerWaalsContact C-N 3.29Å |
| 610 | H | 79.3 | Confident | 80.1 | Confident | 34 Ų | 34 | 34.1 Ų | 34.1 | 16% | 0.157 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -77.1 | -13.1 | 176.7 | 59.8 | -83 | 0 | 0 | 0 | 113.4 | F248 D284 P608 | F248-H610 HydrophobicContact CZ-CB 4.39Å; D284-H610 WeakPolarHBondContact O-CB 3.22Å; P608-H610 VanDerWaalsContact CB-CE1 3.42Å; P608-H610 WeakPolarHBondContact CB-CE1 3.36Å; P608-H610 PolarHBondContact O-N 2.95Å |
| 611 | L | 76.8 | Confident | 80.4 | Confident | 50 Ų | 50 | 33.7 Ų | 33.7 | 26% | 0.262 | 16% | 0.163 | S | C | . | . | G | 310 helix | trans | -103.6 | -0.2 | 178.2 | -52.6 | -171.5 | 0 | 0 | 0 | 113.3 | P608 P609 L687 | P608-L611 HydrophobicContact CB-CD1 4.35Å; P608-L611 HydrophobicContact CB-CG 4.24Å; P608-L611 HydrophobicContact CG-CD1 4.04Å; P608-L611 HydrophobicContact CG-CG 4.47Å; P608-L611 WeakPolarHBondContact O-CA 3.42Å; P608-L611 WeakPolarHBondContact O-CB 3.46Å; P608-L611 PolarHBondContact O-N 3.37Å; P609-L611 VanDerWaalsContact C-N 3.29Å; L611-L687 HydrophobicContact CD2-CD1 4.07Å; L611-L687 HydrophobicContact CD2-CD2 3.44Å; L611-L687 VanDerWaalsContact CD2-CD2 3.44Å; L611-L687 HydrophobicContact CD2-CG 3.81Å |
| 612 | V | 76 | Confident | 80.4 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.012 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -74.5 | 147.4 | 174.2 | 179.8 | 0 | 0 | 0 | 0 | 109.7 | D602 W605 R607 P608 C684 | D602-V612 HydrophobicContact CB-CG2 3.86Å; W605-V612 HydrophobicContact CB-CG1 4.3Å; W605-V612 HydrophobicContact CB-CG2 3.98Å; W605-V612 HydrophobicContact CD2-CG1 3.84Å; W605-V612 HydrophobicContact CE3-CG1 4.46Å; W605-V612 HydrophobicContact CG-CG1 3.71Å; W605-V612 HydrophobicContact CG-CG2 4.28Å; R607-V612 HydrophobicContact CB-CG2 4.44Å; P608-V612 PolarHBondContact O-N 3.29Å; V612-C684 PolarHBondContact O-SG 3.06Å |
| 613 | E | 72.4 | Confident | 80.5 | Confident | 38 Ų | 38 | 39 Ų | 39 | 18% | 0.178 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -63.6 | 148.4 | 178.5 | -66.4 | 179.7 | -161.1 | 0 | 0 | 111.4 | W605 P615 | W605-E613 HydrophobicContact CH2-CB 4.08Å; W605-E613 HydrophobicContact CH2-CG 4.24Å; W605-E613 HydrophobicContact CZ3-CB 4.15Å; W605-E613 HydrophobicContact CZ3-CG 3.88Å; E613-P615 VanDerWaalsContact O-N 3.16Å |
| 614 | P | 80.6 | Confident | 80.9 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -52.2 | 122.5 | -176.3 | -28.1 | 34 | 0 | 0 | 0 | 112.3 | R636 | P614-R636 HydrophobicContact CB-CG 4.15Å; P614-R636 PolarHBondContact O-NE 3.18Å; P614-R636 PolarHBondContact O-NH2 3.32Å |
| 615 | P | 86.4 | Confident | 81.9 | Confident | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.019 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -71.3 | 156.1 | -172.9 | 28.8 | -35.1 | 0 | 0 | 0 | 112 | F585 T587 E613 R636 W686 | F585-P615 HydrophobicContact CB-CB 3.93Å; F585-P615 HydrophobicContact CB-CG 3.72Å; F585-P615 HydrophobicContact CD1-CB 4.43Å; F585-P615 HydrophobicContact CD1-CG 3.77Å; F585-P615 HydrophobicContact CD2-CG 3.77Å; F585-P615 HydrophobicContact CE1-CG 4.27Å; F585-P615 HydrophobicContact CE2-CG 4.26Å; F585-P615 HydrophobicContact CG-CB 4.2Å; F585-P615 HydrophobicContact CG-CG 3.49Å; F585-P615 VanDerWaalsContact CG-CG 3.49Å; F585-P615 HydrophobicContact CZ-CG 4.49Å; T587-P615 HydrophobicContact CG2-CB 4.16Å; T587-P615 WeakPolarHBondContact OG1-CB 3.34Å; E613-P615 VanDerWaalsContact O-N 3.16Å; P615-R636 PolarHBondContact O-NE 3.31Å; P615-W686 VanDerWaalsContact CD-CH2 3.5Å; P615-W686 HydrophobicContact CG-CH2 4.07Å; P615-W686 HydrophobicContact CG-CZ2 4.14Å |
| 616 | F | 88.1 | Confident | 82.9 | Confident | 11 Ų | 11 | 38.6 Ų | 38.6 | 5% | 0.048 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -68.4 | 140.8 | 165.6 | -60.7 | -82.4 | 0 | 0 | 0 | 111 | H586 L624 P646 Y665 | H586-F616 AromaticContact CE1-CD2 3.7Å; H586-F616 PolarHBondContact CE1-N 3.38Å; H586-F616 PolarHBondContact N-O 2.91Å; H586-F616 PolarHBondContact ND1-N 3.47Å; H586-F616 PolarHBondContact ND1-O 3.35Å; F616-L624 HydrophobicContact CB-CD2 3.43Å; F616-L624 VanDerWaalsContact CB-CD2 3.43Å; F616-L624 HydrophobicContact CD1-CD2 4.26Å; F616-L624 HydrophobicContact CD2-CD2 4.48Å; F616-L624 HydrophobicContact CG-CD2 3.84Å; F616-P646 HydrophobicContact CD2-CB 4.45Å; F616-P646 HydrophobicContact CE1-CB 4.47Å; F616-P646 HydrophobicContact CE1-CG 4.45Å; F616-P646 HydrophobicContact CE2-CB 3.76Å; F616-P646 HydrophobicContact CE2-CG 4.27Å; F616-P646 HydrophobicContact CZ-CB 3.77Å; F616-P646 HydrophobicContact CZ-CG 4.2Å; F616-Y665 HydrophobicContact CD2-CD1 4.45Å; F616-Y665 HydrophobicContact CE2-CD1 4.05Å; F616-Y665 HydrophobicContact CE2-CE1 4.21Å; F616-Y665 HydrophobicContact CE2-CG 4.37Å |
| 617 | L | 91.3 | Very high | 83.3 | Confident | 5 Ų | 5 | 34.9 Ų | 34.9 | 3% | 0.026 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 131.2 | 171.4 | -167.3 | 75.2 | 0 | 0 | 0 | 109.9 | P580 F584 F585 Y625 Q630 V633 | P580-L617 HydrophobicContact CG-CD2 3.76Å; F584-L617 WeakPolarHBondContact O-CA 3.36Å; F585-L617 HydrophobicContact CD1-CD1 4.19Å; F585-L617 HydrophobicContact CE1-CD1 4.06Å; L617-Y625 HydrophobicContact CB-CD2 4.44Å; L617-Y625 HydrophobicContact CD2-CD2 3.87Å; L617-Y625 HydrophobicContact CD2-CE2 4.48Å; L617-Y625 HydrophobicContact CG-CD2 3.9Å; L617-Y625 HydrophobicContact CG-CE2 4.46Å; L617-Y625 PolarHBondContact O-N 2.85Å; L617-Q630 PolarHBondContact O-NE2 2.95Å; L617-V633 HydrophobicContact CB-CG2 3.72Å; L617-V633 HydrophobicContact CD1-CG2 4.46Å |
| 618 | V | 90.5 | Very high | 83.7 | Confident | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 161.1 | 179.5 | -62.1 | 0 | 0 | 0 | 0 | 111.5 | F584 H586 G622 Q623 L624 | F584-V618 HydrophobicContact CB-CG2 3.88Å; F584-V618 PolarHBondContact N-O 3.31Å; F584-V618 VanDerWaalsContact N-O 3.09Å; F584-V618 PolarHBondContact O-N 3.49Å; H586-V618 HydrophobicContact CB-CG1 4.05Å; H586-V618 HydrophobicContact CB-CG2 4.45Å; V618-G622 WeakPolarHBondContact CG1-O 3.48Å; V618-Q623 CarbonylContact C-O 3.37Å; V618-Q623 WeakPolarHBondContact CA-O 3.32Å; V618-Q623 WeakPolarHBondContact CB-O 3.18Å; V618-L624 HydrophobicContact CG1-CD2 3.94Å; V618-L624 HydrophobicContact CG1-CG 4.31Å |
| 619 | N | 89.3 | Confident | 84.1 | Confident | 14 Ų | 14 | 37 Ų | 37 | 8% | 0.075 | 20% | 0.2 | C | C | . | . | trans | -79.5 | -175.5 | 169 | 94.4 | -49.8 | 0 | 0 | 0 | 111 | E582 D621 G622 Q623 Y625 | E582-N619 HydrophobicContact CB-CB 4.28Å; E582-N619 VanDerWaalsContact OE2-CB 3.3Å; E582-N619 WeakPolarHBondContact OE2-CB 3.35Å; E582-N619 PolarHBondContact OE2-ND2 3.25Å; E582-N619 VanDerWaalsContact OE2-ND2 3.15Å; N619-D621 PolarHBondContact ND2-OD2 3.36Å; N619-D621 PolarHBondContact O-N 3.01Å; N619-D621 PolarHBondContact OD1-N 3.19Å; N619-D621 VanDerWaalsContact OD1-N 3.1Å; N619-G622 PolarHBondContact O-N 3.3Å; N619-G622 PolarHBondContact OD1-N 3.23Å; N619-Q623 PolarHBondContact N-O 3.28Å; N619-Q623 WeakPolarHBondContact OD1-CA 3.26Å; N619-Q623 VanDerWaalsContact OD1-CB 3.22Å; N619-Q623 WeakPolarHBondContact OD1-CB 3.46Å; N619-Q623 PolarHBondContact OD1-N 2.94Å; N619-Y625 HydrophobicContact CB-CE1 4.47Å; N619-Y625 HydrophobicContact CB-CE2 4.08Å; N619-Y625 WeakPolarHBondContact CB-OH 3.27Å | ||
| 620 | N | 86 | Confident | 84.4 | Confident | 25 Ų | 25 | 36 Ų | 36 | 13% | 0.134 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -39.9 | 177 | 174.1 | 85.9 | 0 | 0 | 0 | 113.3 | F209 L212 E582 F584 G622 | F209-N620 HydrophobicContact CD1-CB 4.21Å; F209-N620 HydrophobicContact CE1-CB 3.81Å; F209-N620 WeakPolarHBondContact CE1-OD1 3.16Å; L212-N620 VanDerWaalsContact CD2-OD1 3.22Å; L212-N620 WeakPolarHBondContact CD2-OD1 3.47Å; E582-N620 WeakPolarHBondContact OE2-CB 3.21Å; E582-N620 PolarHBondContact OE2-N 2.75Å; F584-N620 HydrophobicContact CE2-CB 4.15Å; N620-G622 PolarHBondContact O-N 3.36Å |
| 621 | D | 83 | Confident | 84.6 | Confident | 90 Ų | 90 | 38.2 Ų | 38.2 | 48% | 0.481 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 5.3 | -171.8 | -38.2 | -50.6 | 0 | 0 | 0 | 112.3 | N619 Q623 | N619-D621 PolarHBondContact ND2-OD2 3.36Å; N619-D621 PolarHBondContact O-N 3.01Å; N619-D621 PolarHBondContact OD1-N 3.19Å; N619-D621 VanDerWaalsContact OD1-N 3.1Å; D621-Q623 VanDerWaalsContact C-N 3.29Å; D621-Q623 PolarHBondContact O-N 2.89Å |
| 622 | G | 80.3 | Confident | 85 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | trans | 75.2 | 11.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | V618 N619 N620 M650 | V618-G622 WeakPolarHBondContact CG1-O 3.48Å; N619-G622 PolarHBondContact O-N 3.3Å; N619-G622 PolarHBondContact OD1-N 3.23Å; N620-G622 PolarHBondContact O-N 3.36Å; G622-M650 WeakPolarHBondContact O-CE 2.98Å | ||
| 623 | Q | 83.5 | Confident | 85.5 | Confident | 132 Ų | 132 | 37.4 Ų | 37.4 | 62% | 0.617 | 20% | 0.196 | S | C | * | . | P | Polyproline II helix | trans | -70.1 | 131 | 173.9 | -167.3 | -178.3 | 16.2 | 0 | 0 | 110.5 | V618 N619 D621 | V618-Q623 CarbonylContact C-O 3.37Å; V618-Q623 WeakPolarHBondContact CA-O 3.32Å; V618-Q623 WeakPolarHBondContact CB-O 3.18Å; N619-Q623 PolarHBondContact N-O 3.28Å; N619-Q623 WeakPolarHBondContact OD1-CA 3.26Å; N619-Q623 VanDerWaalsContact OD1-CB 3.22Å; N619-Q623 WeakPolarHBondContact OD1-CB 3.46Å; N619-Q623 PolarHBondContact OD1-N 2.94Å; D621-Q623 VanDerWaalsContact C-N 3.29Å; D621-Q623 PolarHBondContact O-N 2.89Å |
| 624 | L | 86.8 | Confident | 85.9 | Confident | 48 Ų | 48 | 36.7 Ų | 36.7 | 25% | 0.251 | 20% | 0.195 | S | C | . | . | B | Isolated β-bridge | trans | -68.9 | 131.5 | 178.2 | -66.9 | 153.6 | 0 | 0 | 0 | 111.4 | F616 V618 P646 M650 | F616-L624 HydrophobicContact CB-CD2 3.43Å; F616-L624 VanDerWaalsContact CB-CD2 3.43Å; F616-L624 HydrophobicContact CD1-CD2 4.26Å; F616-L624 HydrophobicContact CD2-CD2 4.48Å; F616-L624 HydrophobicContact CG-CD2 3.84Å; V618-L624 HydrophobicContact CG1-CD2 3.94Å; V618-L624 HydrophobicContact CG1-CG 4.31Å; L624-P646 HydrophobicContact CD1-CG 3.36Å; L624-P646 HydrophobicContact CD2-CG 4.26Å; L624-P646 HydrophobicContact CG-CG 4.45Å; L624-M650 HydrophobicContact CD1-CE 3.56Å; L624-M650 HydrophobicContact CD1-CG 4.43Å; L624-M650 HydrophobicContact CD1-SD 3.72Å; L624-M650 HydrophobicContact CD2-SD 4.12Å; L624-M650 HydrophobicContact CG-CE 3.66Å; L624-M650 HydrophobicContact CG-SD 3.7Å |
| 625 | Y | 89.9 | Confident | 85.6 | Confident | 44 Ų | 44 | 37 Ų | 37 | 17% | 0.173 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -72.3 | 153.2 | 166.4 | -73.6 | -63.4 | 0 | 0 | 0 | 111.6 | P580 E582 L617 N619 M629 Q630 | P580-Y625 HydrophobicContact CB-CD1 4.48Å; P580-Y625 HydrophobicContact CB-CD2 4.46Å; P580-Y625 HydrophobicContact CB-CE1 3.91Å; P580-Y625 HydrophobicContact CB-CE2 3.84Å; P580-Y625 HydrophobicContact CG-CD2 3.98Å; P580-Y625 HydrophobicContact CG-CE1 4.45Å; P580-Y625 HydrophobicContact CG-CE2 3.64Å; P580-Y625 HydrophobicContact CG-CG 4.49Å; E582-Y625 WeakPolarHBondContact O-CE2 3.44Å; E582-Y625 PolarHBondContact O-OH 3.2Å; L617-Y625 HydrophobicContact CB-CD2 4.44Å; L617-Y625 HydrophobicContact CD2-CD2 3.87Å; L617-Y625 HydrophobicContact CD2-CE2 4.48Å; L617-Y625 HydrophobicContact CG-CD2 3.9Å; L617-Y625 HydrophobicContact CG-CE2 4.46Å; L617-Y625 PolarHBondContact O-N 2.85Å; N619-Y625 HydrophobicContact CB-CE1 4.47Å; N619-Y625 HydrophobicContact CB-CE2 4.08Å; N619-Y625 WeakPolarHBondContact CB-OH 3.27Å; Y625-M629 HydrophobicContact CD1-SD 3.61Å; Y625-M629 HydrophobicContact CE1-SD 4.29Å; Y625-M629 HydrophobicContact CG-CB 4.48Å; Y625-M629 HydrophobicContact CG-SD 3.96Å; Y625-Q630 WeakPolarHBondContact O-CG 3.5Å; Y625-Q630 PolarHBondContact O-NE2 2.94Å |
| 626 | P | 88.5 | Confident | 85.1 | Confident | 67 Ų | 67 | 37.4 Ų | 37.4 | 44% | 0.435 | 20% | 0.199 | S | C | . | . | P | Polyproline II helix | trans | -65.7 | 162.7 | -177.7 | 26.6 | -35.8 | 0 | 0 | 0 | 113 | S628 M629 Q630 | P626-S628 PolarHBondContact O-N 2.93Å; P626-M629 HydrophobicContact CG-CG 4.36Å; P626-M629 WeakPolarHBondContact O-CA 3.49Å; P626-M629 PolarHBondContact O-N 3.1Å; P626-Q630 PolarHBondContact O-N 3.27Å |
| 627 | P | 84.1 | Confident | 84.5 | Confident | 26 Ų | 26 | 39.5 Ų | 39.5 | 17% | 0.169 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -50.3 | -37.1 | -175.7 | -32.2 | 37.6 | 0 | 0 | 0 | 115.2 | M629 Q630 R631 E641 L644 T645 | P627-M629 PolarHBondContact O-N 3.03Å; P627-Q630 PolarHBondContact O-N 3.34Å; P627-R631 WeakPolarHBondContact O-CG 3.23Å; P627-R631 PolarHBondContact O-N 3.28Å; P627-R631 VanDerWaalsContact O-N 3.15Å; P627-E641 HydrophobicContact CB-CG 4.13Å; P627-E641 HydrophobicContact CG-CG 4.27Å; P627-L644 HydrophobicContact CB-CB 3.84Å; P627-L644 HydrophobicContact CB-CD1 4.04Å; P627-L644 HydrophobicContact CG-CB 4.33Å; P627-T645 HydrophobicContact CG-CG2 4.18Å |
| 628 | S | 84.4 | Confident | 83.6 | Confident | 87 Ų | 87 | 43.4 Ų | 43.4 | 61% | 0.608 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -59 | -30.6 | 175.6 | 56.6 | 0 | 0 | 0 | 0 | 114 | P626 | P626-S628 PolarHBondContact O-N 2.93Å |
| 629 | M | 86.7 | Confident | 82.3 | Confident | 69 Ų | 69 | 43.8 Ų | 43.8 | 34% | 0.34 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -92.7 | -27.9 | 174.1 | -66 | -168.4 | -166.4 | 0 | 0 | 112.8 | P580 Y625 P626 P627 R631 L632 | P580-M629 HydrophobicContact CB-SD 4.25Å; P580-M629 HydrophobicContact CG-SD 4.39Å; Y625-M629 HydrophobicContact CD1-SD 3.61Å; Y625-M629 HydrophobicContact CE1-SD 4.29Å; Y625-M629 HydrophobicContact CG-CB 4.48Å; Y625-M629 HydrophobicContact CG-SD 3.96Å; P626-M629 HydrophobicContact CG-CG 4.36Å; P626-M629 WeakPolarHBondContact O-CA 3.49Å; P626-M629 PolarHBondContact O-N 3.1Å; P627-M629 PolarHBondContact O-N 3.03Å; M629-R631 PolarHBondContact O-N 3.27Å; M629-L632 HydrophobicContact CB-CD1 4.21Å; M629-L632 HydrophobicContact CG-CD1 4.49Å; M629-L632 WeakPolarHBondContact O-CB 3.21Å; M629-L632 WeakPolarHBondContact O-CG 3.11Å; M629-L632 PolarHBondContact O-N 3.38Å |
| 630 | Q | 88.5 | Confident | 81.2 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61 | -30.6 | 172.2 | -62.8 | -62.5 | -18.1 | 0 | 0 | 111.7 | L617 Y625 P626 P627 L632 V633 R636 L644 | L617-Q630 PolarHBondContact O-NE2 2.95Å; Y625-Q630 WeakPolarHBondContact O-CG 3.5Å; Y625-Q630 PolarHBondContact O-NE2 2.94Å; P626-Q630 PolarHBondContact O-N 3.27Å; P627-Q630 PolarHBondContact O-N 3.34Å; Q630-L632 PolarHBondContact O-N 2.74Å; Q630-V633 PolarHBondContact O-N 2.76Å; Q630-V633 VanDerWaalsContact O-N 3.15Å; Q630-R636 VanDerWaalsContact O-CB 3.24Å; Q630-R636 WeakPolarHBondContact O-CB 3.28Å; Q630-L644 HydrophobicContact CB-CB 4.25Å; Q630-L644 HydrophobicContact CB-CD2 3.96Å |
| 631 | R | 84.5 | Confident | 80.4 | Confident | 81 Ų | 81 | 50.8 Ų | 50.8 | 31% | 0.306 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -1.8 | 169 | -66.8 | -178.6 | -169.7 | -69.6 | -8 | 115.1 | P627 M629 E637 C639 L644 | P627-R631 WeakPolarHBondContact O-CG 3.23Å; P627-R631 PolarHBondContact O-N 3.28Å; P627-R631 VanDerWaalsContact O-N 3.15Å; M629-R631 PolarHBondContact O-N 3.27Å; R631-E637 PolarHBondContact NH1-O 3.49Å; R631-C639 VanDerWaalsContact CZ-O 3.3Å; R631-C639 PolarHBondContact NH1-O 3.29Å; R631-C639 PolarHBondContact NH2-O 2.92Å; R631-L644 HydrophobicContact CG-CD1 3.61Å |
| 632 | L | 84.5 | Confident | 79.7 | Confident | 35 Ų | 35 | 52.4 Ų | 52.4 | 18% | 0.183 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -20.5 | 172.7 | -58.6 | 171.9 | 0 | 0 | 0 | 113 | R245 M629 Q630 | R245-L632 VanDerWaalsContact CZ-CD2 3.47Å; M629-L632 HydrophobicContact CB-CD1 4.21Å; M629-L632 HydrophobicContact CG-CD1 4.49Å; M629-L632 WeakPolarHBondContact O-CB 3.21Å; M629-L632 WeakPolarHBondContact O-CG 3.11Å; M629-L632 PolarHBondContact O-N 3.38Å; Q630-L632 PolarHBondContact O-N 2.74Å |
| 633 | V | 86.2 | Confident | 79 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -74.7 | 133.6 | 179.7 | -175.4 | 0 | 0 | 0 | 0 | 110.2 | F585 L617 Q630 G635 R636 | F585-V633 HydrophobicContact CE1-CG1 3.87Å; F585-V633 HydrophobicContact CE1-CG2 4.09Å; F585-V633 HydrophobicContact CZ-CG1 4.22Å; L617-V633 HydrophobicContact CB-CG2 3.72Å; L617-V633 HydrophobicContact CD1-CG2 4.46Å; Q630-V633 PolarHBondContact O-N 2.76Å; Q630-V633 VanDerWaalsContact O-N 3.15Å; V633-G635 PolarHBondContact O-N 3.31Å; V633-G635 VanDerWaalsContact O-N 3.07Å; V633-R636 HydrophobicContact CB-CB 4.23Å; V633-R636 HydrophobicContact CB-CG 4.33Å; V633-R636 PolarHBondContact O-N 2.74Å |
| 634 | P | 81.3 | Confident | 78.6 | Confident | 23 Ų | 23 | 48.6 Ų | 48.6 | 15% | 0.149 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | 115 | 173.4 | -29.3 | 37.8 | 0 | 0 | 0 | 112.6 | L247 E637 W686 | L247-P634 HydrophobicContact CB-CG 4.19Å; L247-P634 HydrophobicContact CD2-CG 3.73Å; P634-E637 WeakPolarHBondContact CA-OE1 3.37Å; P634-W686 PolarHBondContact O-NE1 2.92Å; P634-W686 VanDerWaalsContact O-NE1 3.1Å |
| 635 | G | 73 | Confident | 77.8 | Confident | 9 Ų | 9 | 49.6 Ų | 49.6 | 9% | 0.093 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 104.6 | -19.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | V633 E637 C685 | V633-G635 PolarHBondContact O-N 3.31Å; V633-G635 VanDerWaalsContact O-N 3.07Å; G635-E637 PolarHBondContact N-OE1 2.63Å; G635-E637 PolarHBondContact N-OE2 2.73Å; G635-C685 WeakPolarHBondContact CA-SG 3.27Å |
| 636 | R | 77.1 | Confident | 76.8 | Confident | 13 Ų | 13 | 48.9 Ų | 48.9 | 5% | 0.049 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -3.9 | 179.8 | -72.2 | -175.7 | 169.6 | -85.4 | -4.5 | 114 | P614 P615 Q630 V633 N638 C639 L643 L644 | P614-R636 HydrophobicContact CB-CG 4.15Å; P614-R636 PolarHBondContact O-NE 3.18Å; P614-R636 PolarHBondContact O-NH2 3.32Å; P615-R636 PolarHBondContact O-NE 3.31Å; Q630-R636 VanDerWaalsContact O-CB 3.24Å; Q630-R636 WeakPolarHBondContact O-CB 3.28Å; V633-R636 HydrophobicContact CB-CB 4.23Å; V633-R636 HydrophobicContact CB-CG 4.33Å; V633-R636 PolarHBondContact O-N 2.74Å; R636-N638 VanDerWaalsContact C-N 3.35Å; R636-N638 PolarHBondContact O-N 2.73Å; R636-C639 PolarHBondContact O-N 2.87Å; R636-L643 PolarHBondContact NH1-O 2.83Å; R636-L644 HydrophobicContact CB-CD2 3.87Å; R636-L644 HydrophobicContact CG-CD2 4.3Å |
| 637 | E | 75.3 | Confident | 75.2 | Confident | 54 Ų | 54 | 50.8 Ų | 50.8 | 25% | 0.252 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -42.7 | -170.1 | -42.3 | 83.3 | 178.8 | 0 | 0 | 112.4 | R631 P634 G635 R689 | R631-E637 PolarHBondContact NH1-O 3.49Å; P634-E637 WeakPolarHBondContact CA-OE1 3.37Å; G635-E637 PolarHBondContact N-OE1 2.63Å; G635-E637 PolarHBondContact N-OE2 2.73Å; E637-R689 IonicContact OE1-CZ 2.69Å; E637-R689 IonicContact OE1-NH1 3.85Å; E637-R689 PolarHBondContact OE1-NH1 3.28Å; E637-R689 IonicContact OE1-NH2 2.67Å; E637-R689 IonicContact OE2-CZ 3.86Å; E637-R689 IonicContact OE2-NH1 3.4Å; E637-R689 PolarHBondContact OE2-NH1 3.13Å; E637-R689 IonicContact OE2-NH2 3.52Å; E637-R689 PolarHBondContact OE2-NH2 2.98Å |
| 638 | N | 71.2 | Confident | 73.7 | Confident | 88 Ų | 88 | 53.9 Ų | 53.9 | 47% | 0.471 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 4 | -175.7 | -73.3 | -37.8 | 0 | 0 | 0 | 114 | N120 R636 | N120-N638 PolarHBondContact O-ND2 2.9Å; R636-N638 VanDerWaalsContact C-N 3.35Å; R636-N638 PolarHBondContact O-N 2.73Å |
| 639 | C | 63.9 | Low | 71.8 | Confident | 11 Ų | 11 | 55.2 Ų | 55.2 | 7% | 0.074 | 29% | 0.29 | C | S | . | . | trans | -64.1 | 143.3 | -178.6 | -75.7 | 0 | 0 | 0 | 0 | 111.7 | R631 R636 L643 L644 | R631-C639 VanDerWaalsContact CZ-O 3.3Å; R631-C639 PolarHBondContact NH1-O 3.29Å; R631-C639 PolarHBondContact NH2-O 2.92Å; R636-C639 PolarHBondContact O-N 2.87Å; C639-L643 HydrophobicContact CB-CB 4.44Å; C639-L644 HydrophobicContact CB-CD2 3.76Å; C639-L644 HydrophobicContact CB-CG 4.05Å | ||
| 640 | P | 65.7 | Low | 70.1 | Confident | 62 Ų | 62 | 53.8 Ų | 53.8 | 40% | 0.403 | 28% | 0.283 | S | S | . | . | trans | -62.6 | 151.5 | 166 | 30.3 | -35.7 | 0 | 0 | 0 | 109.7 | H642 L643 | P640-H642 VanDerWaalsContact C-N 3.3Å; P640-H642 PolarHBondContact O-N 2.98Å; P640-L643 HydrophobicContact CG-CD1 3.78Å; P640-L643 HydrophobicContact CG-CG 4.03Å; P640-L643 PolarHBondContact O-N 2.93Å | ||
| 641 | E | 69.9 | Low | 68.2 | Low | 124 Ų | 124 | 59.1 Ų | 59.1 | 58% | 0.579 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -63.3 | -32.3 | -165.4 | -171 | 149.8 | -147.3 | 0 | 0 | 114.1 | P627 L643 L644 | P627-E641 HydrophobicContact CB-CG 4.13Å; P627-E641 HydrophobicContact CG-CG 4.27Å; E641-L643 PolarHBondContact O-N 2.98Å; E641-L644 WeakPolarHBondContact O-CB 3.33Å; E641-L644 PolarHBondContact O-N 3Å |
| 642 | H | 67.6 | Low | 66.5 | Low | 123 Ų | 123 | 63.6 Ų | 63.6 | 57% | 0.569 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -62.7 | -22.3 | 175.3 | 63.6 | -98.4 | 0 | 0 | 0 | 114 | P640 T645 | P640-H642 VanDerWaalsContact C-N 3.3Å; P640-H642 PolarHBondContact O-N 2.98Å; H642-T645 PolarHBondContact O-OG1 3.28Å |
| 643 | L | 66.5 | Low | 64.9 | Low | 51 Ų | 51 | 65.8 Ų | 65.8 | 27% | 0.267 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -91.1 | -1.5 | 174.7 | -58.4 | 179.9 | 0 | 0 | 0 | 113.2 | R636 C639 P640 E641 L682 | R636-L643 PolarHBondContact NH1-O 2.83Å; C639-L643 HydrophobicContact CB-CB 4.44Å; P640-L643 HydrophobicContact CG-CD1 3.78Å; P640-L643 HydrophobicContact CG-CG 4.03Å; P640-L643 PolarHBondContact O-N 2.93Å; E641-L643 PolarHBondContact O-N 2.98Å; L643-L682 HydrophobicContact CB-CD1 4.48Å; L643-L682 HydrophobicContact CD1-CD1 4.26Å; L643-L682 HydrophobicContact CD1-CD2 3.68Å; L643-L682 HydrophobicContact CD1-CG 3.91Å |
| 644 | L | 75.3 | Confident | 63 | Low | 3 Ų | 3 | 71.8 Ų | 71.8 | 2% | 0.016 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -9.8 | 174.2 | -62.4 | 179.4 | 0 | 0 | 0 | 112.9 | P627 Q630 R631 R636 C639 E641 | P627-L644 HydrophobicContact CB-CB 3.84Å; P627-L644 HydrophobicContact CB-CD1 4.04Å; P627-L644 HydrophobicContact CG-CB 4.33Å; Q630-L644 HydrophobicContact CB-CB 4.25Å; Q630-L644 HydrophobicContact CB-CD2 3.96Å; R631-L644 HydrophobicContact CG-CD1 3.61Å; R636-L644 HydrophobicContact CB-CD2 3.87Å; R636-L644 HydrophobicContact CG-CD2 4.3Å; C639-L644 HydrophobicContact CB-CD2 3.76Å; C639-L644 HydrophobicContact CB-CG 4.05Å; E641-L644 WeakPolarHBondContact O-CB 3.33Å; E641-L644 PolarHBondContact O-N 3Å |
| 645 | T | 70.6 | Confident | 61.3 | Low | 69 Ų | 69 | 72.6 Ų | 72.6 | 42% | 0.423 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -103.8 | 132.8 | 164.6 | 46.3 | 0 | 0 | 0 | 0 | 109.2 | P627 H642 | P627-T645 HydrophobicContact CG-CG2 4.18Å; H642-T645 PolarHBondContact O-OG1 3.28Å |
| 646 | P | 67.3 | Low | 59.7 | Low | 30 Ų | 30 | 78.8 Ų | 78.8 | 20% | 0.195 | 38% | 0.383 | C | S | . | . | trans | -70.3 | 137.7 | 170 | 20.4 | -23.1 | 0 | 0 | 0 | 111.7 | F616 L624 F648 Y665 | F616-P646 HydrophobicContact CD2-CB 4.45Å; F616-P646 HydrophobicContact CE1-CB 4.47Å; F616-P646 HydrophobicContact CE1-CG 4.45Å; F616-P646 HydrophobicContact CE2-CB 3.76Å; F616-P646 HydrophobicContact CE2-CG 4.27Å; F616-P646 HydrophobicContact CZ-CB 3.77Å; F616-P646 HydrophobicContact CZ-CG 4.2Å; L624-P646 HydrophobicContact CD1-CG 3.36Å; L624-P646 HydrophobicContact CD2-CG 4.26Å; L624-P646 HydrophobicContact CG-CG 4.45Å; P646-F648 PolarHBondContact O-N 3.42Å; P646-Y665 HydrophobicContact CB-CD2 3.36Å; P646-Y665 HydrophobicContact CB-CE2 3.33Å; P646-Y665 HydrophobicContact CB-CG 4.06Å; P646-Y665 HydrophobicContact CG-CD2 4.33Å | ||
| 647 | D | 55.1 | Low | 58 | Low | 107 Ų | 107 | 85.6 Ų | 85.6 | 57% | 0.572 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -67.7 | -13.9 | -179 | -67.5 | -37.9 | 0 | 0 | 0 | 114.1 | ||
| 648 | F | 52.2 | Low | 56.4 | Low | 91 Ų | 91 | 84.4 Ų | 84.4 | 40% | 0.399 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -138.7 | 148.8 | -170.7 | -62.6 | -76.5 | 0 | 0 | 0 | 112.3 | P646 Y665 N668 | P646-F648 PolarHBondContact O-N 3.42Å; F648-Y665 HydrophobicContact CB-CE2 4.01Å; F648-Y665 WeakPolarHBondContact O-CD2 3.26Å; F648-N668 WeakPolarHBondContact CE1-ND2 3.48Å; F648-N668 WeakPolarHBondContact CE2-ND2 3.41Å; F648-N668 WeakPolarHBondContact CZ-ND2 3.21Å |
| 649 | P | 46.2 | Very low | 55.1 | Low | 115 Ų | 115 | 83.5 Ų | 83.5 | 75% | 0.747 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 142.3 | 178.5 | 28.6 | -35.4 | 0 | 0 | 0 | 112 | ||
| 650 | M | 50.5 | Low | 54 | Low | 38 Ų | 38 | 85.7 Ų | 85.7 | 19% | 0.187 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 134.6 | 178.1 | -57.7 | -179.4 | -72 | 0 | 0 | 111.1 | G622 L624 L663 I664 | G622-M650 WeakPolarHBondContact O-CE 2.98Å; L624-M650 HydrophobicContact CD1-CE 3.56Å; L624-M650 HydrophobicContact CD1-CG 4.43Å; L624-M650 HydrophobicContact CD1-SD 3.72Å; L624-M650 HydrophobicContact CD2-SD 4.12Å; L624-M650 HydrophobicContact CG-CE 3.66Å; L624-M650 HydrophobicContact CG-SD 3.7Å; M650-L663 HydrophobicContact CB-CB 3.88Å; M650-L663 HydrophobicContact CB-CD2 4.21Å; M650-L663 HydrophobicContact CE-CB 3.95Å; M650-L663 HydrophobicContact CE-CD1 4.06Å; M650-L663 HydrophobicContact SD-CB 4.05Å; M650-I664 CarbonylContact C-O 3.37Å; M650-I664 VanDerWaalsContact CA-O 3.24Å; M650-I664 WeakPolarHBondContact CA-O 3.28Å; M650-I664 WeakPolarHBondContact CB-O 3.44Å |
| 651 | R | 48.5 | Very low | 53 | Low | 113 Ų | 113 | 87.2 Ų | 87.2 | 43% | 0.426 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 137.8 | 170.9 | -73.8 | -169.2 | 170.8 | -178.1 | -12.3 | 109.3 | I653 I664 V666 E1427 | R651-I653 PolarHBondContact O-N 3.32Å; R651-I664 PolarHBondContact N-O 2.87Å; R651-I664 PolarHBondContact O-N 2.81Å; R651-V666 HydrophobicContact CB-CG2 3.86Å; R651-V666 HydrophobicContact CG-CG2 3.78Å; R651-E1427 IonicContact NH2-OE1 3.16Å; R651-E1427 PolarHBondContact NH2-OE1 2.92Å; R651-E1427 VanDerWaalsContact NH2-OE1 3.1Å; R651-E1427 IonicContact NH2-OE2 3.52Å |
| 652 | R | 48.5 | Very low | 51.9 | Low | 175 Ų | 175 | 82 Ų | 82 | 66% | 0.66 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 126.1 | 163.3 | -81 | -172.8 | 171.3 | 178.2 | -4.1 | 109.5 | F661 V662 L663 | R652-F661 HydrophobicContact CB-CB 4.09Å; R652-F661 HydrophobicContact CB-CD1 4.1Å; R652-F661 HydrophobicContact CB-CG 4.4Å; R652-F661 HydrophobicContact CG-CB 4.02Å; R652-V662 WeakPolarHBondContact CA-O 3.35Å; R652-L663 HydrophobicContact CG-CD2 3.58Å; R652-L663 HydrophobicContact CG-CG 4.35Å |
| 653 | I | 51.1 | Low | 50.8 | Low | 81 Ų | 81 | 78 Ų | 78 | 42% | 0.415 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 128 | 170.3 | -72.8 | 174.1 | 0 | 0 | 0 | 107.8 | R651 F661 V662 I664 | R651-I653 PolarHBondContact O-N 3.32Å; I653-F661 CarbonylContact O-C 3.45Å; I653-F661 WeakPolarHBondContact O-CA 3.45Å; I653-V662 PolarHBondContact N-O 2.87Å; I653-V662 PolarHBondContact O-N 2.87Å; I653-I664 HydrophobicContact CB-CD1 3.99Å; I653-I664 HydrophobicContact CB-CG1 4.47Å; I653-I664 HydrophobicContact CD1-CB 4.19Å; I653-I664 HydrophobicContact CD1-CD1 3.96Å; I653-I664 HydrophobicContact CD1-CG1 4.45Å; I653-I664 HydrophobicContact CD1-CG2 4.49Å; I653-I664 HydrophobicContact CG1-CD1 4.46Å; I653-I664 HydrophobicContact CG2-CD1 4.27Å |
| 654 | R | 46.9 | Very low | 50 | Low | 127 Ų | 127 | 75.7 Ų | 75.7 | 48% | 0.479 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 130.8 | -178.8 | -163.6 | 179.5 | -173.9 | 158.5 | 1.5 | 109.9 | G658 D659 D660 F661 | R654-G658 WeakPolarHBondContact CG-O 3.42Å; R654-G658 PolarHBondContact NE-O 2.87Å; R654-D659 IonicContact CZ-OD1 3.55Å; R654-D659 IonicContact NE-OD1 3.21Å; R654-D659 IonicContact NH2-OD1 3.1Å; R654-D659 PolarHBondContact NH2-OD1 2.95Å; R654-D660 CarbonylContact C-O 3.57Å; R654-D660 WeakPolarHBondContact CA-O 3.42Å; R654-F661 HydrophobicContact CB-CD1 3.9Å; R654-F661 HydrophobicContact CB-CE1 3.86Å; R654-F661 HydrophobicContact CG-CD1 4.27Å; R654-F661 HydrophobicContact CG-CE1 4.02Å; R654-F661 HydrophobicContact CG-CZ 4.4Å |
| 655 | L | 45.6 | Very low | 48.6 | Very low | 41 Ų | 41 | 76.8 Ų | 76.8 | 22% | 0.215 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 153.7 | 170.7 | -64.5 | -179.1 | 0 | 0 | 0 | 110.1 | L212 F589 D660 V662 | L212-L655 HydrophobicContact CD1-CD1 3.73Å; F589-L655 HydrophobicContact CB-CD2 3.7Å; F589-L655 HydrophobicContact CD1-CD2 4.09Å; F589-L655 HydrophobicContact CG-CD2 3.9Å; L655-D660 HydrophobicContact CB-CB 4.41Å; L655-D660 HydrophobicContact CD1-CB 3.86Å; L655-D660 HydrophobicContact CG-CB 4.29Å; L655-D660 PolarHBondContact N-O 2.83Å; L655-V662 HydrophobicContact CD1-CG2 4.17Å; L655-V662 HydrophobicContact CD2-CG2 3.79Å; L655-V662 HydrophobicContact CG-CG2 4Å |
| 656 | Q | 38.7 | Very low | 47.4 | Very low | 139 Ų | 139 | 75.4 Ų | 75.4 | 65% | 0.65 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | 139.6 | 175 | -67.9 | -174.9 | -12.5 | 0 | 0 | 109.6 | G658 | Q656-G658 VanDerWaalsContact C-N 3.33Å; Q656-G658 PolarHBondContact O-N 3.47Å |
| 657 | D | 42.5 | Very low | 46.2 | Very low | 156 Ų | 156 | 75 Ų | 75 | 83% | 0.834 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 27.6 | 178.8 | -53.5 | -28.8 | 0 | 0 | 0 | 117 | ||
| 658 | G | 41.6 | Very low | 45.2 | Very low | 29 Ų | 29 | 74.3 Ų | 74.3 | 30% | 0.299 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -147.7 | 176.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | R654 Q656 D660 | R654-G658 WeakPolarHBondContact CG-O 3.42Å; R654-G658 PolarHBondContact NE-O 2.87Å; Q656-G658 VanDerWaalsContact C-N 3.33Å; Q656-G658 PolarHBondContact O-N 3.47Å; G658-D660 VanDerWaalsContact C-N 3.31Å |
| 659 | D | 43.3 | Very low | 44.5 | Very low | 69 Ų | 69 | 76.2 Ų | 76.2 | 37% | 0.369 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -92.4 | 4.8 | 168.3 | -73.8 | 3.5 | 0 | 0 | 0 | 112.1 | R654 F661 K1479 | R654-D659 IonicContact CZ-OD1 3.55Å; R654-D659 IonicContact NE-OD1 3.21Å; R654-D659 IonicContact NH2-OD1 3.1Å; R654-D659 PolarHBondContact NH2-OD1 2.95Å; D659-F661 WeakPolarHBondContact O-CD2 3.25Å; D659-F661 WeakPolarHBondContact O-CE2 3.38Å; D659-K1479 WeakPolarHBondContact OD2-CE 3.36Å; D659-K1479 IonicContact OD2-NZ 2.82Å; D659-K1479 PolarHBondContact OD2-NZ 3.28Å |
| 660 | D | 40.9 | Very low | 43.8 | Very low | 57 Ų | 57 | 76 Ų | 76 | 31% | 0.305 | 38% | 0.376 | S | S | . | . | trans | -71.7 | 128.9 | 177.2 | -86.3 | -30.1 | 0 | 0 | 0 | 112.1 | R654 L655 G658 R1482 | R654-D660 CarbonylContact C-O 3.57Å; R654-D660 WeakPolarHBondContact CA-O 3.42Å; L655-D660 HydrophobicContact CB-CB 4.41Å; L655-D660 HydrophobicContact CD1-CB 3.86Å; L655-D660 HydrophobicContact CG-CB 4.29Å; L655-D660 PolarHBondContact N-O 2.83Å; G658-D660 VanDerWaalsContact C-N 3.31Å; D660-R1482 IonicContact OD1-CZ 3.5Å; D660-R1482 IonicContact OD1-NH1 3.42Å; D660-R1482 PolarHBondContact OD1-NH1 3.06Å; D660-R1482 IonicContact OD1-NH2 2.74Å; D660-R1482 PolarHBondContact OD1-NH2 2.82Å; D660-R1482 IonicContact OD2-CZ 3.54Å; D660-R1482 IonicContact OD2-NH1 2.73Å; D660-R1482 IonicContact OD2-NH2 3.49Å; D660-R1482 PolarHBondContact OD2-NH2 2.76Å | ||
| 661 | F | 44.5 | Very low | 42.8 | Very low | 93 Ų | 93 | 81.9 Ų | 81.9 | 41% | 0.408 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 123.9 | 173.7 | -60.2 | -90.6 | 0 | 0 | 0 | 110 | R652 I653 R654 D659 | R652-F661 HydrophobicContact CB-CB 4.09Å; R652-F661 HydrophobicContact CB-CD1 4.1Å; R652-F661 HydrophobicContact CB-CG 4.4Å; R652-F661 HydrophobicContact CG-CB 4.02Å; I653-F661 CarbonylContact O-C 3.45Å; I653-F661 WeakPolarHBondContact O-CA 3.45Å; R654-F661 HydrophobicContact CB-CD1 3.9Å; R654-F661 HydrophobicContact CB-CE1 3.86Å; R654-F661 HydrophobicContact CG-CD1 4.27Å; R654-F661 HydrophobicContact CG-CE1 4.02Å; R654-F661 HydrophobicContact CG-CZ 4.4Å; D659-F661 WeakPolarHBondContact O-CD2 3.25Å; D659-F661 WeakPolarHBondContact O-CE2 3.38Å |
| 662 | V | 46.5 | Very low | 41.9 | Very low | 15 Ų | 15 | 86.8 Ų | 86.8 | 9% | 0.091 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 135.7 | 168.3 | -179.1 | 0 | 0 | 0 | 0 | 108.7 | F589 R652 I653 L655 I664 | F589-V662 HydrophobicContact CB-CG2 4.27Å; F589-V662 HydrophobicContact CD2-CG1 4.42Å; F589-V662 HydrophobicContact CD2-CG2 3.85Å; F589-V662 HydrophobicContact CG-CG2 4.24Å; R652-V662 WeakPolarHBondContact CA-O 3.35Å; I653-V662 PolarHBondContact N-O 2.87Å; I653-V662 PolarHBondContact O-N 2.87Å; L655-V662 HydrophobicContact CD1-CG2 4.17Å; L655-V662 HydrophobicContact CD2-CG2 3.79Å; L655-V662 HydrophobicContact CG-CG2 4Å; V662-I664 HydrophobicContact CB-CG1 4.23Å; V662-I664 HydrophobicContact CG1-CD1 4.36Å; V662-I664 HydrophobicContact CG1-CG1 3.8Å; V662-I664 PolarHBondContact O-N 3.41Å |
| 663 | L | 45.6 | Very low | 41.1 | Very low | 39 Ų | 39 | 84.6 Ų | 84.6 | 20% | 0.204 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 110.6 | 166.8 | -72 | 168.3 | 0 | 0 | 0 | 109.2 | M650 R652 | M650-L663 HydrophobicContact CB-CB 3.88Å; M650-L663 HydrophobicContact CB-CD2 4.21Å; M650-L663 HydrophobicContact CE-CB 3.95Å; M650-L663 HydrophobicContact CE-CD1 4.06Å; M650-L663 HydrophobicContact SD-CB 4.05Å; R652-L663 HydrophobicContact CG-CD2 3.58Å; R652-L663 HydrophobicContact CG-CG 4.35Å |
| 664 | I | 47.8 | Very low | 40 | Very low | 3 Ų | 3 | 84.1 Ų | 84.1 | 2% | 0.015 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 120.1 | 179.6 | -60 | -172.7 | 0 | 0 | 0 | 107.7 | V590 M650 R651 I653 V662 V666 | V590-I664 HydrophobicContact CG2-CD1 3.84Å; V590-I664 HydrophobicContact CG2-CG2 3.69Å; M650-I664 CarbonylContact C-O 3.37Å; M650-I664 VanDerWaalsContact CA-O 3.24Å; M650-I664 WeakPolarHBondContact CA-O 3.28Å; M650-I664 WeakPolarHBondContact CB-O 3.44Å; R651-I664 PolarHBondContact N-O 2.87Å; R651-I664 PolarHBondContact O-N 2.81Å; I653-I664 HydrophobicContact CB-CD1 3.99Å; I653-I664 HydrophobicContact CB-CG1 4.47Å; I653-I664 HydrophobicContact CD1-CB 4.19Å; I653-I664 HydrophobicContact CD1-CD1 3.96Å; I653-I664 HydrophobicContact CD1-CG1 4.45Å; I653-I664 HydrophobicContact CD1-CG2 4.49Å; I653-I664 HydrophobicContact CG1-CD1 4.46Å; I653-I664 HydrophobicContact CG2-CD1 4.27Å; V662-I664 HydrophobicContact CB-CG1 4.23Å; V662-I664 HydrophobicContact CG1-CD1 4.36Å; V662-I664 HydrophobicContact CG1-CG1 3.8Å; V662-I664 PolarHBondContact O-N 3.41Å; I664-V666 PolarHBondContact O-N 3.33Å |
| 665 | Y | 46 | Very low | 39.4 | Very low | 25 Ų | 25 | 83.2 Ų | 83.2 | 10% | 0.098 | 43% | 0.428 | C | S | . | . | trans | -61.2 | 129.1 | 170.7 | 168.4 | -112.8 | 0 | 0 | 0 | 109.1 | F616 P646 F648 P667 | F616-Y665 HydrophobicContact CD2-CD1 4.45Å; F616-Y665 HydrophobicContact CE2-CD1 4.05Å; F616-Y665 HydrophobicContact CE2-CE1 4.21Å; F616-Y665 HydrophobicContact CE2-CG 4.37Å; P646-Y665 HydrophobicContact CB-CD2 3.36Å; P646-Y665 HydrophobicContact CB-CE2 3.33Å; P646-Y665 HydrophobicContact CB-CG 4.06Å; P646-Y665 HydrophobicContact CG-CD2 4.33Å; F648-Y665 HydrophobicContact CB-CE2 4.01Å; F648-Y665 WeakPolarHBondContact O-CD2 3.26Å; Y665-P667 HydrophobicContact CD1-CG 4.1Å; Y665-P667 HydrophobicContact CE1-CB 4.22Å; Y665-P667 HydrophobicContact CE1-CG 3.81Å; Y665-P667 WeakPolarHBondContact O-CD 3.47Å | ||
| 666 | V | 46.5 | Very low | 38.6 | Very low | 41 Ų | 41 | 89.2 Ų | 89.2 | 25% | 0.248 | 45% | 0.454 | C | S | . | . | trans | -108.4 | 104.4 | -179.8 | 179.8 | 0 | 0 | 0 | 0 | 109.3 | R651 I664 | R651-V666 HydrophobicContact CB-CG2 3.86Å; R651-V666 HydrophobicContact CG-CG2 3.78Å; I664-V666 PolarHBondContact O-N 3.33Å | ||
| 667 | P | 41.2 | Very low | 38.4 | Very low | 22 Ų | 22 | 83.6 Ų | 83.6 | 14% | 0.143 | 43% | 0.43 | C | S | . | . | trans | -63.8 | 142.3 | 168.9 | -10.8 | 25 | 0 | 0 | 0 | 109.7 | E604 W605 Y665 L669 | E604-P667 HydrophobicContact CG-CG 4.27Å; E604-P667 WeakPolarHBondContact OE1-CD 3.47Å; E604-P667 WeakPolarHBondContact OE2-CD 3.2Å; W605-P667 HydrophobicContact CH2-CG 4.14Å; W605-P667 HydrophobicContact CZ2-CB 4.35Å; W605-P667 HydrophobicContact CZ2-CG 3.44Å; W605-P667 VanDerWaalsContact CZ2-CG 3.44Å; Y665-P667 HydrophobicContact CD1-CG 4.1Å; Y665-P667 HydrophobicContact CE1-CB 4.22Å; Y665-P667 HydrophobicContact CE1-CG 3.81Å; Y665-P667 WeakPolarHBondContact O-CD 3.47Å; P667-L669 PolarHBondContact O-N 3.44Å | ||
| 668 | N | 35.8 | Very low | 38 | Very low | 92 Ų | 92 | 85.2 Ų | 85.2 | 49% | 0.492 | 43% | 0.425 | S | S | . | . | trans | -68.9 | 101.7 | 171.5 | -94.2 | -66.3 | 0 | 0 | 0 | 110.6 | F648 V670 | F648-N668 WeakPolarHBondContact CE1-ND2 3.48Å; F648-N668 WeakPolarHBondContact CE2-ND2 3.41Å; F648-N668 WeakPolarHBondContact CZ-ND2 3.21Å; N668-V670 PolarHBondContact O-N 3.12Å | ||
| 669 | L | 36.2 | Very low | 37.5 | Very low | 130 Ų | 130 | 90.7 Ų | 90.7 | 68% | 0.681 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 5.4 | 166.6 | -85.8 | 148.3 | 0 | 0 | 0 | 114.2 | P667 | P667-L669 PolarHBondContact O-N 3.44Š|
| 670 | V | 31.1 | Very low | 37.1 | Very low | 111 Ų | 111 | 90 Ų | 90 | 67% | 0.673 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.2 | 40.2 | -179.6 | -158.1 | 0 | 0 | 0 | 0 | 111.9 | N668 | N668-V670 PolarHBondContact O-N 3.12Š|
| 671 | R | 30.5 | Very low | 37 | Very low | 161 Ų | 161 | 93.8 Ų | 93.8 | 61% | 0.608 | 46% | 0.462 | S | S | * | . | trans | -89 | 88.3 | 146.9 | -75.3 | -167.1 | -177.3 | 178.2 | 6.5 | 108.4 | ||||
| 672 | R | 28.4 | Very low | 36.8 | Very low | 216 Ų | 216 | 91.3 Ų | 91.3 | 82% | 0.815 | 45% | 0.453 | S | S | * | . | trans | -55.3 | 140.6 | 159.7 | -72.4 | -180 | 173.8 | 170.1 | -2.1 | 107.9 | T674 | R672-T674 VanDerWaalsContact C-N 3.31Å; R672-T674 PolarHBondContact O-N 3.26Å | ||
| 673 | D | 31.7 | Very low | 36.4 | Very low | 129 Ų | 129 | 95.6 Ų | 95.6 | 69% | 0.69 | 48% | 0.481 | S | S | * | . | trans | -63.9 | 83.4 | -177.7 | -66.6 | -84.6 | 0 | 0 | 0 | 113 | ||||
| 674 | T | 29.6 | Very low | 36.3 | Very low | 71 Ų | 71 | 94.7 Ų | 94.7 | 44% | 0.436 | 48% | 0.478 | S | S | . | . | trans | -80.3 | 140.1 | 157 | 58.7 | 0 | 0 | 0 | 0 | 108.4 | R672 E676 S677 | R672-T674 VanDerWaalsContact C-N 3.31Å; R672-T674 PolarHBondContact O-N 3.26Å; T674-E676 PolarHBondContact O-N 3.46Å; T674-S677 WeakPolarHBondContact O-CB 3.33Å; T674-S677 PolarHBondContact O-N 2.78Å; T674-S677 PolarHBondContact O-OG 3.36Å | ||
| 675 | P | 32.9 | Very low | 36.1 | Very low | 109 Ų | 109 | 95.6 Ų | 95.6 | 71% | 0.708 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -59.5 | -34.3 | -177.3 | 22.4 | -32.5 | 0 | 0 | 0 | 112.3 | S677 R678 | P675-S677 PolarHBondContact O-N 3.33Å; P675-S677 VanDerWaalsContact O-N 3.16Å; P675-R678 PolarHBondContact O-N 3.1Å |
| 676 | E | 30.5 | Very low | 36.5 | Very low | 166 Ų | 166 | 95.7 Ų | 95.7 | 78% | 0.776 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -59.3 | -20.3 | 175.2 | -60.5 | 166.8 | 166 | 0 | 0 | 113.7 | T674 R678 | T674-E676 PolarHBondContact O-N 3.46Å; E676-R678 VanDerWaalsContact C-N 3.31Å; E676-R678 PolarHBondContact O-N 3.37Å |
| 677 | S | 34.1 | Very low | 36.4 | Very low | 21 Ų | 21 | 99.7 Ų | 99.7 | 15% | 0.147 | 50% | 0.504 | C | S | . | . | G | 310 helix | trans | -80.5 | -7.3 | -178 | 71.6 | 0 | 0 | 0 | 0 | 114.7 | T674 P675 | T674-S677 WeakPolarHBondContact O-CB 3.33Å; T674-S677 PolarHBondContact O-N 2.78Å; T674-S677 PolarHBondContact O-OG 3.36Å; P675-S677 PolarHBondContact O-N 3.33Å; P675-S677 VanDerWaalsContact O-N 3.16Å |
| 678 | R | 33.5 | Very low | 36.7 | Very low | 190 Ų | 190 | 102.8 Ų | 102.8 | 72% | 0.717 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -76.4 | -32 | -173.6 | -74.3 | -174.6 | 167.7 | -165.6 | -4.1 | 114.5 | P675 E676 G680 | P675-R678 PolarHBondContact O-N 3.1Å; E676-R678 VanDerWaalsContact C-N 3.31Å; E676-R678 PolarHBondContact O-N 3.37Å; R678-G680 PolarHBondContact O-N 3.38Å |
| 679 | E | 31.6 | Very low | 37.8 | Very low | 145 Ų | 145 | 103 Ų | 103 | 68% | 0.678 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -14.9 | -172.8 | -61.1 | -175.1 | 132.8 | 0 | 0 | 113.6 | N72 | N72-E679 PolarHBondContact ND2-OE1 2.99Å; N72-E679 PolarHBondContact OD1-OE1 2.83Å |
| 680 | G | 34.4 | Very low | 39.3 | Very low | 55 Ų | 55 | 100.7 Ų | 100.7 | 57% | 0.567 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | 9.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | R678 | R678-G680 PolarHBondContact O-N 3.38Š|
| 681 | R | 38.5 | Very low | 41.7 | Very low | 135 Ų | 135 | 96.6 Ų | 96.6 | 51% | 0.509 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -86 | 133.6 | 175.4 | -81.4 | -173.7 | 175.4 | 144.8 | 6.2 | 111 | ||
| 682 | L | 41 | Very low | 44.2 | Very low | 41 Ų | 41 | 88.9 Ų | 88.9 | 22% | 0.215 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 133.8 | 163.7 | -75.7 | 170.8 | 0 | 0 | 0 | 108.9 | L643 C684 | L643-L682 HydrophobicContact CB-CD1 4.48Å; L643-L682 HydrophobicContact CD1-CD1 4.26Å; L643-L682 HydrophobicContact CD1-CD2 3.68Å; L643-L682 HydrophobicContact CD1-CG 3.91Å; L682-C684 PolarHBondContact O-N 2.84Å |
| 683 | P | 38.1 | Very low | 46.3 | Very low | 105 Ų | 105 | 82.7 Ų | 82.7 | 68% | 0.682 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 125.7 | 165 | 26.6 | -32.1 | 0 | 0 | 0 | 107.7 | C685 | P683-C685 VanDerWaalsContact C-N 3.29Å; P683-C685 PolarHBondContact O-N 2.65Å |
| 684 | C | 44 | Very low | 48.2 | Very low | 20 Ų | 20 | 79.6 Ų | 79.6 | 14% | 0.135 | 42% | 0.422 | C | S | . | . | trans | -65.2 | 92 | 179.3 | -179.3 | 0 | 0 | 0 | 0 | 108.9 | V612 L682 W686 L687 | V612-C684 PolarHBondContact O-SG 3.06Å; L682-C684 PolarHBondContact O-N 2.84Å; C684-W686 PolarHBondContact O-N 3.16Å; C684-W686 VanDerWaalsContact O-N 3.15Å; C684-L687 HydrophobicContact CB-CD1 4.43Å; C684-L687 VanDerWaalsContact O-CB 3.32Å; C684-L687 WeakPolarHBondContact O-CB 3.43Å; C684-L687 PolarHBondContact O-N 2.75Å | ||
| 685 | C | 43.5 | Very low | 50.7 | Low | 22 Ų | 22 | 77 Ų | 77 | 15% | 0.149 | 41% | 0.406 | C | S | . | . | G | 310 helix | trans | -77.1 | -1.3 | -166.9 | 32.6 | 0 | 0 | 0 | 0 | 113.8 | G635 P683 L687 S688 R689 | G635-C685 WeakPolarHBondContact CA-SG 3.27Å; P683-C685 VanDerWaalsContact C-N 3.29Å; P683-C685 PolarHBondContact O-N 2.65Å; C685-L687 VanDerWaalsContact C-N 3.31Å; C685-S688 VanDerWaalsContact CA-OG 3.24Å; C685-S688 WeakPolarHBondContact CA-OG 3.46Å; C685-S688 WeakPolarHBondContact CB-OG 3.38Å; C685-S688 PolarHBondContact O-N 3Å; C685-S688 VanDerWaalsContact O-N 3.17Å; C685-S688 PolarHBondContact O-OG 2.84Å; C685-R689 PolarHBondContact O-N 3.05Å |
| 686 | W | 52.8 | Low | 52.8 | Low | 27 Ų | 27 | 79.2 Ų | 79.2 | 10% | 0.102 | 41% | 0.407 | C | S | . | . | G | 310 helix | trans | -66.5 | -33 | 163 | -68.2 | 6.8 | 0 | 0 | 0 | 111 | F248 P615 P634 C684 S688 | F248-W686 HydrophobicContact CD2-CD2 4.4Å; F248-W686 HydrophobicContact CD2-CE3 4.04Å; F248-W686 AromaticContact CD2-CH2 3.77Å; F248-W686 HydrophobicContact CD2-CH2 3.77Å; F248-W686 HydrophobicContact CD2-CZ2 4.17Å; F248-W686 AromaticContact CD2-CZ3 3.72Å; F248-W686 HydrophobicContact CD2-CZ3 3.72Å; F248-W686 HydrophobicContact CE2-CD2 4.3Å; F248-W686 AromaticContact CE2-CE3 3.58Å; F248-W686 HydrophobicContact CE2-CE3 3.58Å; F248-W686 AromaticContact CE2-CH2 3.92Å; F248-W686 HydrophobicContact CE2-CH2 3.92Å; F248-W686 AromaticContact CE2-CZ3 3.37Å; F248-W686 HydrophobicContact CE2-CZ3 3.37Å; F248-W686 HydrophobicContact CZ-CZ3 4.32Å; P615-W686 VanDerWaalsContact CD-CH2 3.5Å; P615-W686 HydrophobicContact CG-CH2 4.07Å; P615-W686 HydrophobicContact CG-CZ2 4.14Å; P634-W686 PolarHBondContact O-NE1 2.92Å; P634-W686 VanDerWaalsContact O-NE1 3.1Å; C684-W686 PolarHBondContact O-N 3.16Å; C684-W686 VanDerWaalsContact O-N 3.15Å; W686-S688 PolarHBondContact O-N 2.98Å |
| 687 | L | 45.3 | Very low | 55.1 | Low | 126 Ų | 126 | 78.8 Ų | 78.8 | 66% | 0.66 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -68.7 | -6.3 | 168.4 | -77.2 | 168.2 | 0 | 0 | 0 | 114.4 | L611 C684 C685 | L611-L687 HydrophobicContact CD2-CD1 4.07Å; L611-L687 HydrophobicContact CD2-CD2 3.44Å; L611-L687 VanDerWaalsContact CD2-CD2 3.44Å; L611-L687 HydrophobicContact CD2-CG 3.81Å; C684-L687 HydrophobicContact CB-CD1 4.43Å; C684-L687 VanDerWaalsContact O-CB 3.32Å; C684-L687 WeakPolarHBondContact O-CB 3.43Å; C684-L687 PolarHBondContact O-N 2.75Å; C685-L687 VanDerWaalsContact C-N 3.31Å |
| 688 | S | 46.7 | Very low | 57 | Low | 86 Ų | 86 | 79.8 Ų | 79.8 | 60% | 0.601 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -120.4 | 10.3 | -174.4 | 68.6 | 0 | 0 | 0 | 0 | 114.3 | C685 W686 | C685-S688 VanDerWaalsContact CA-OG 3.24Å; C685-S688 WeakPolarHBondContact CA-OG 3.46Å; C685-S688 WeakPolarHBondContact CB-OG 3.38Å; C685-S688 PolarHBondContact O-N 3Å; C685-S688 VanDerWaalsContact O-N 3.17Å; C685-S688 PolarHBondContact O-OG 2.84Å; W686-S688 PolarHBondContact O-N 2.98Å |
| 689 | R | 60 | Low | 59 | Low | 96 Ų | 96 | 74.7 Ų | 74.7 | 36% | 0.362 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -153.3 | 135.4 | -174.3 | -65.3 | -176.2 | -176.7 | -178.8 | 6.3 | 111.7 | E637 C685 I691 | E637-R689 IonicContact OE1-CZ 2.69Å; E637-R689 IonicContact OE1-NH1 3.85Å; E637-R689 PolarHBondContact OE1-NH1 3.28Å; E637-R689 IonicContact OE1-NH2 2.67Å; E637-R689 IonicContact OE2-CZ 3.86Å; E637-R689 IonicContact OE2-NH1 3.4Å; E637-R689 PolarHBondContact OE2-NH1 3.13Å; E637-R689 IonicContact OE2-NH2 3.52Å; E637-R689 PolarHBondContact OE2-NH2 2.98Å; C685-R689 PolarHBondContact O-N 3.05Å; R689-I691 PolarHBondContact O-N 3.06Å |
| 690 | D | 68.2 | Low | 61.3 | Low | 83 Ų | 83 | 69.1 Ų | 69.1 | 44% | 0.444 | 38% | 0.379 | S | S | . | . | trans | -68.3 | 129.2 | 165.1 | -38.5 | -72.1 | 0 | 0 | 0 | 110.2 | Q283 V692 L693 | Q283-D690 HydrophobicContact CB-CB 4.47Å; Q283-D690 CarbonylContact O-C 3.57Å; Q283-D690 WeakPolarHBondContact O-CA 3.41Å; D690-V692 WeakPolarHBondContact CB-O 3.48Å; D690-L693 HydrophobicContact CB-CD2 4.38Å | ||
| 691 | I | 80.8 | Confident | 63.5 | Low | 24 Ų | 24 | 72.5 Ų | 72.5 | 12% | 0.123 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -64.2 | -46.9 | 172.7 | -62.1 | 159.5 | 0 | 0 | 0 | 109.3 | V238 L247 F248 Q283 R689 | V238-I691 HydrophobicContact CG1-CG2 4.39Å; L247-I691 HydrophobicContact CB-CG2 4.44Å; F248-I691 HydrophobicContact CB-CD1 4.15Å; F248-I691 HydrophobicContact CB-CG1 4.35Å; F248-I691 HydrophobicContact CB-CG2 3.62Å; F248-I691 HydrophobicContact CD1-CD1 4.08Å; F248-I691 HydrophobicContact CD2-CD1 3.45Å; F248-I691 VanDerWaalsContact CD2-CD1 3.45Å; F248-I691 HydrophobicContact CD2-CG1 4.05Å; F248-I691 HydrophobicContact CE1-CD1 4.31Å; F248-I691 HydrophobicContact CE2-CD1 3.7Å; F248-I691 HydrophobicContact CG-CD1 3.65Å; F248-I691 HydrophobicContact CG-CG1 4.31Å; F248-I691 HydrophobicContact CG-CG2 4.33Å; F248-I691 HydrophobicContact CZ-CD1 4.13Å; Q283-I691 WeakPolarHBondContact O-CB 3.47Å; Q283-I691 WeakPolarHBondContact O-CG1 3.45Å; Q283-I691 PolarHBondContact O-N 3.23Å; R689-I691 PolarHBondContact O-N 3.06Å |
| 692 | V | 81.9 | Confident | 65.3 | Low | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -120.6 | 123.5 | 167.8 | 176.1 | 0 | 0 | 0 | 0 | 107.3 | Y226 V238 N266 L282 D690 | Y226-V692 HydrophobicContact CD1-CG2 4.28Å; Y226-V692 HydrophobicContact CD2-CB 4.43Å; Y226-V692 HydrophobicContact CD2-CG1 3.77Å; Y226-V692 HydrophobicContact CD2-CG2 4.11Å; Y226-V692 HydrophobicContact CE2-CB 4.36Å; Y226-V692 HydrophobicContact CE2-CG1 3.79Å; Y226-V692 HydrophobicContact CE2-CG2 4.4Å; Y226-V692 HydrophobicContact CG-CG2 4.05Å; V238-V692 HydrophobicContact CG1-CG2 3.86Å; N266-V692 WeakPolarHBondContact ND2-CG1 3.4Å; L282-V692 HydrophobicContact CD1-CG2 4.17Å; L282-V692 HydrophobicContact CD2-CB 4.1Å; L282-V692 HydrophobicContact CD2-CG1 3.93Å; L282-V692 HydrophobicContact CD2-CG2 4.15Å; L282-V692 HydrophobicContact CG-CB 3.83Å; L282-V692 HydrophobicContact CG-CG1 4.23Å; L282-V692 HydrophobicContact CG-CG2 3.78Å; L282-V692 PolarHBondContact O-N 3.43Å; D690-V692 WeakPolarHBondContact CB-O 3.48Å |
| 693 | L | 73.8 | Confident | 67 | Low | 86 Ų | 86 | 68.3 Ų | 68.3 | 45% | 0.45 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 137.3 | 175.6 | -68.1 | 167.2 | 0 | 0 | 0 | 110.1 | D690 | D690-L693 HydrophobicContact CB-CD2 4.38Š|
| 694 | P | 72.1 | Confident | 69.2 | Low | 63 Ų | 63 | 65.8 Ų | 65.8 | 41% | 0.409 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 159.1 | 170.9 | 27 | -34.6 | 0 | 0 | 0 | 111 | ||
| 695 | L | 80.6 | Confident | 71.2 | Confident | 16 Ų | 16 | 67.5 Ų | 67.5 | 8% | 0.084 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 145.1 | 166.7 | -76.5 | 168.2 | 0 | 0 | 0 | 109.6 | C222 T223 Q264 N266 M699 I700 | C222-L695 HydrophobicContact CB-CD1 4.04Å; T223-L695 HydrophobicContact CG2-CD2 3.75Å; T223-L695 HydrophobicContact CG2-CG 4.45Å; Q264-L695 WeakPolarHBondContact O-CD1 3.28Å; N266-L695 HydrophobicContact CB-CD1 3.94Å; N266-L695 HydrophobicContact CB-CG 3.86Å; L695-M699 HydrophobicContact CD2-CB 4.38Å; L695-M699 HydrophobicContact CD2-CG 3.85Å; L695-I700 HydrophobicContact CB-CD1 3.98Å; L695-I700 HydrophobicContact CB-CG1 3.48Å; L695-I700 VanDerWaalsContact CB-CG1 3.48Å; L695-I700 HydrophobicContact CD1-CG1 4.11Å; L695-I700 HydrophobicContact CG-CG1 4.45Å |
| 696 | E | 78.3 | Confident | 73 | Confident | 156 Ų | 156 | 70.3 Ų | 70.3 | 73% | 0.729 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 140.7 | 167.7 | -67.8 | 171.5 | -169.1 | 0 | 0 | 108.8 | G698 M699 I700 | E696-G698 PolarHBondContact O-N 3.17Å; E696-M699 HydrophobicContact CB-CB 4.47Å; E696-M699 WeakPolarHBondContact O-CA 3.39Å; E696-M699 WeakPolarHBondContact O-CB 3.33Å; E696-M699 PolarHBondContact O-N 2.88Å; E696-I700 PolarHBondContact O-N 3.48Å; E696-I700 VanDerWaalsContact O-N 3.16Å |
| 697 | E | 78 | Confident | 74.5 | Confident | 157 Ų | 157 | 69.1 Ų | 69.1 | 73% | 0.734 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -53.8 | -48.6 | -170.6 | -168.7 | 164.9 | -148.4 | 0 | 0 | 112.5 | M699 I700 E701 | E697-M699 PolarHBondContact O-N 3.1Å; E697-M699 VanDerWaalsContact O-N 3.12Å; E697-I700 WeakPolarHBondContact O-CA 3.38Å; E697-I700 WeakPolarHBondContact O-CB 3.39Å; E697-I700 PolarHBondContact O-N 3.25Å; E697-E701 WeakPolarHBondContact O-CG 3.45Å; E697-E701 PolarHBondContact O-N 2.84Å |
| 698 | G | 74.3 | Confident | 76.6 | Confident | 43 Ų | 43 | 65.2 Ų | 65.2 | 44% | 0.443 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63 | -17.1 | 174 | 0 | 0 | 0 | 0 | 0 | 115.4 | E696 E701 L702 | E696-G698 PolarHBondContact O-N 3.17Å; G698-E701 WeakPolarHBondContact CA-OE2 3.34Å; G698-L702 WeakPolarHBondContact O-CB 2.96Å; G698-L702 PolarHBondContact O-N 2.73Å |
| 699 | M | 74.4 | Confident | 78.5 | Confident | 83 Ų | 83 | 62.7 Ų | 62.7 | 41% | 0.409 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -81.8 | -33.2 | 170.4 | -165.7 | 67.6 | 66 | 0 | 0 | 111.6 | L695 E696 E697 L702 N703 | L695-M699 HydrophobicContact CD2-CB 4.38Å; L695-M699 HydrophobicContact CD2-CG 3.85Å; E696-M699 HydrophobicContact CB-CB 4.47Å; E696-M699 WeakPolarHBondContact O-CA 3.39Å; E696-M699 WeakPolarHBondContact O-CB 3.33Å; E696-M699 PolarHBondContact O-N 2.88Å; E697-M699 PolarHBondContact O-N 3.1Å; E697-M699 VanDerWaalsContact O-N 3.12Å; M699-L702 HydrophobicContact SD-CD2 4.29Å; M699-N703 WeakPolarHBondContact O-CB 3.35Å; M699-N703 PolarHBondContact O-N 2.8Å; M699-N703 PolarHBondContact O-ND2 2.85Å |
| 700 | I | 79.5 | Confident | 79.7 | Confident | 28 Ų | 28 | 58.8 Ų | 58.8 | 14% | 0.144 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.3 | -50.3 | 171.4 | -59.9 | 176.5 | 0 | 0 | 0 | 109.1 | D265 L695 E696 E697 L702 N703 R704 | D265-I700 HydrophobicContact CB-CG2 4.5Å; L695-I700 HydrophobicContact CB-CD1 3.98Å; L695-I700 HydrophobicContact CB-CG1 3.48Å; L695-I700 VanDerWaalsContact CB-CG1 3.48Å; L695-I700 HydrophobicContact CD1-CG1 4.11Å; L695-I700 HydrophobicContact CG-CG1 4.45Å; E696-I700 PolarHBondContact O-N 3.48Å; E696-I700 VanDerWaalsContact O-N 3.16Å; E697-I700 WeakPolarHBondContact O-CA 3.38Å; E697-I700 WeakPolarHBondContact O-CB 3.39Å; E697-I700 PolarHBondContact O-N 3.25Å; I700-L702 PolarHBondContact O-N 2.87Å; I700-N703 PolarHBondContact O-N 2.87Å; I700-N703 VanDerWaalsContact O-N 3.1Å; I700-R704 HydrophobicContact CG2-CG 4.37Å; I700-R704 VanDerWaalsContact CG2-NE 3.3Å; I700-R704 WeakPolarHBondContact O-CG 3.23Å; I700-R704 PolarHBondContact O-N 3.03Å |
| 701 | E | 81.5 | Confident | 80.6 | Confident | 125 Ų | 125 | 54.9 Ų | 54.9 | 58% | 0.584 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -54.7 | -49.8 | 174 | -66.2 | 178.1 | 143.6 | 0 | 0 | 111.6 | E697 G698 N703 R704 S705 | E697-E701 WeakPolarHBondContact O-CG 3.45Å; E697-E701 PolarHBondContact O-N 2.84Å; G698-E701 WeakPolarHBondContact CA-OE2 3.34Å; E701-N703 VanDerWaalsContact C-N 3.27Å; E701-N703 PolarHBondContact O-N 2.92Å; E701-R704 PolarHBondContact O-N 3.31Å; E701-S705 WeakPolarHBondContact O-CB 3.41Å; E701-S705 PolarHBondContact O-N 3.15Å |
| 702 | L | 76.8 | Confident | 81 | Confident | 72 Ų | 72 | 58.9 Ų | 58.9 | 38% | 0.377 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.9 | -28.3 | 178 | 178.7 | 61.9 | 0 | 0 | 0 | 113.1 | G698 M699 I700 K706 | G698-L702 WeakPolarHBondContact O-CB 2.96Å; G698-L702 PolarHBondContact O-N 2.73Å; M699-L702 HydrophobicContact SD-CD2 4.29Å; I700-L702 PolarHBondContact O-N 2.87Å; L702-K706 WeakPolarHBondContact O-CD 3.03Å; L702-K706 WeakPolarHBondContact O-CE 3.12Å; L702-K706 VanDerWaalsContact O-CG 3.24Å; L702-K706 WeakPolarHBondContact O-CG 3.39Å; L702-K706 PolarHBondContact O-N 3.3Å |
| 703 | N | 76.8 | Confident | 81.2 | Confident | 16 Ų | 16 | 64.7 Ų | 64.7 | 9% | 0.086 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -77.4 | -47.2 | 174.4 | -77.2 | -12.3 | 0 | 0 | 0 | 111.7 | M699 I700 E701 S705 K706 V707 L834 | M699-N703 WeakPolarHBondContact O-CB 3.35Å; M699-N703 PolarHBondContact O-N 2.8Å; M699-N703 PolarHBondContact O-ND2 2.85Å; I700-N703 PolarHBondContact O-N 2.87Å; I700-N703 VanDerWaalsContact O-N 3.1Å; E701-N703 VanDerWaalsContact C-N 3.27Å; E701-N703 PolarHBondContact O-N 2.92Å; N703-S705 VanDerWaalsContact C-N 3.3Å; N703-S705 PolarHBondContact O-N 2.81Å; N703-K706 PolarHBondContact O-N 2.9Å; N703-K706 PolarHBondContact OD1-NZ 2.84Å; N703-V707 WeakPolarHBondContact O-CG2 3.21Å; N703-V707 PolarHBondContact O-N 3.09Å; N703-L834 HydrophobicContact CB-CD1 3.92Å |
| 704 | R | 84.2 | Confident | 81.9 | Confident | 52 Ų | 52 | 60.6 Ų | 60.6 | 20% | 0.196 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.1 | -39.6 | 174.7 | -68.4 | 169.9 | 176.4 | -156.8 | -0.5 | 111.9 | D265 E309 I700 E701 V707 N708 | D265-R704 IonicContact OD1-NE 3.95Å; D265-R704 IonicContact OD2-CZ 2.82Å; D265-R704 IonicContact OD2-NE 2.67Å; D265-R704 PolarHBondContact OD2-NE 2.95Å; D265-R704 IonicContact OD2-NH2 3.01Å; D265-R704 PolarHBondContact OD2-NH2 3.37Å; E309-R704 IonicContact OE1-CZ 3.73Å; E309-R704 IonicContact OE1-NH1 3.58Å; E309-R704 PolarHBondContact OE1-NH1 2.85Å; E309-R704 IonicContact OE1-NH2 3.43Å; E309-R704 PolarHBondContact OE1-NH2 3.19Å; I700-R704 HydrophobicContact CG2-CG 4.37Å; I700-R704 VanDerWaalsContact CG2-NE 3.3Å; I700-R704 WeakPolarHBondContact O-CG 3.23Å; I700-R704 PolarHBondContact O-N 3.03Å; E701-R704 PolarHBondContact O-N 3.31Å; R704-V707 PolarHBondContact O-N 2.95Å; R704-N708 PolarHBondContact O-N 2.98Å |
| 705 | S | 84.8 | Confident | 82.6 | Confident | 56 Ų | 56 | 59.5 Ų | 59.5 | 39% | 0.392 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -54.7 | -52.6 | 171.5 | 168.9 | 0 | 0 | 0 | 0 | 111.3 | E701 N703 V707 N708 D709 | E701-S705 WeakPolarHBondContact O-CB 3.41Å; E701-S705 PolarHBondContact O-N 3.15Å; N703-S705 VanDerWaalsContact C-N 3.3Å; N703-S705 PolarHBondContact O-N 2.81Å; S705-V707 VanDerWaalsContact C-N 3.3Å; S705-V707 PolarHBondContact O-N 3.03Å; S705-N708 WeakPolarHBondContact O-CB 3.45Å; S705-N708 PolarHBondContact O-N 3.17Å; S705-N708 VanDerWaalsContact O-N 3.15Å; S705-D709 WeakPolarHBondContact O-CB 3.22Å; S705-D709 PolarHBondContact O-N 2.95Å |
| 706 | K | 82 | Confident | 83 | Confident | 82 Ų | 82 | 61.7 Ų | 61.7 | 36% | 0.357 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.9 | -37.8 | 176.3 | -64.8 | 159.2 | -158.4 | 152.2 | 0 | 112.8 | L702 N703 D709 Q710 I747 | L702-K706 WeakPolarHBondContact O-CD 3.03Å; L702-K706 WeakPolarHBondContact O-CE 3.12Å; L702-K706 VanDerWaalsContact O-CG 3.24Å; L702-K706 WeakPolarHBondContact O-CG 3.39Å; L702-K706 PolarHBondContact O-N 3.3Å; N703-K706 PolarHBondContact O-N 2.9Å; N703-K706 PolarHBondContact OD1-NZ 2.84Å; K706-D709 WeakPolarHBondContact O-CB 3.33Å; K706-Q710 VanDerWaalsContact O-CB 3.29Å; K706-Q710 WeakPolarHBondContact O-CB 3.48Å; K706-Q710 PolarHBondContact O-N 2.99Å; K706-Q710 VanDerWaalsContact O-N 3.07Å; K706-I747 HydrophobicContact CG-CD1 4.22Å |
| 707 | V | 85.3 | Confident | 83.3 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.012 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.9 | -41.4 | 176.9 | 174.5 | 0 | 0 | 0 | 0 | 110.4 | P305 W307 N703 R704 S705 Q710 A711 L834 | P305-V707 HydrophobicContact CB-CG1 3.83Å; P305-V707 HydrophobicContact CB-CG2 4.1Å; W307-V707 HydrophobicContact CB-CG1 4.5Å; N703-V707 WeakPolarHBondContact O-CG2 3.21Å; N703-V707 PolarHBondContact O-N 3.09Å; R704-V707 PolarHBondContact O-N 2.95Å; S705-V707 VanDerWaalsContact C-N 3.3Å; S705-V707 PolarHBondContact O-N 3.03Å; V707-Q710 PolarHBondContact O-N 3.4Å; V707-A711 VanDerWaalsContact O-CB 3.24Å; V707-A711 WeakPolarHBondContact O-CB 3.05Å; V707-A711 PolarHBondContact O-N 3.35Å; V707-L834 HydrophobicContact CG2-CD2 3.98Å |
| 708 | N | 89.1 | Confident | 83.8 | Confident | 43 Ų | 43 | 50.9 Ų | 50.9 | 23% | 0.23 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.4 | -50 | 173 | -172.5 | 70.3 | 0 | 0 | 0 | 111.8 | W307 R704 S705 Q710 A711 E712 | W307-N708 HydrophobicContact CB-CB 3.78Å; W307-N708 HydrophobicContact CG-CB 4.05Å; R704-N708 PolarHBondContact O-N 2.98Å; S705-N708 WeakPolarHBondContact O-CB 3.45Å; S705-N708 PolarHBondContact O-N 3.17Å; S705-N708 VanDerWaalsContact O-N 3.15Å; N708-Q710 PolarHBondContact O-N 3.31Å; N708-Q710 VanDerWaalsContact O-N 3.09Å; N708-A711 WeakPolarHBondContact O-CB 3.24Å; N708-A711 PolarHBondContact O-N 2.99Å; N708-E712 PolarHBondContact ND2-OE1 3.45Å; N708-E712 PolarHBondContact O-N 3.46Å |
| 709 | D | 85.8 | Confident | 84.4 | Confident | 34 Ų | 34 | 52.8 Ų | 52.8 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -49.6 | -37.5 | 175.5 | -131.9 | 49 | 0 | 0 | 0 | 112.2 | S705 K706 R713 I747 | S705-D709 WeakPolarHBondContact O-CB 3.22Å; S705-D709 PolarHBondContact O-N 2.95Å; K706-D709 WeakPolarHBondContact O-CB 3.33Å; D709-R713 WeakPolarHBondContact O-CD 3.18Å; D709-R713 WeakPolarHBondContact O-CG 3.11Å; D709-R713 PolarHBondContact O-NE 3.18Å; D709-R713 IonicContact OD1-NH2 2.7Å; D709-R713 IonicContact OD2-CZ 3.62Å; D709-R713 IonicContact OD2-NH1 3.86Å; D709-R713 PolarHBondContact OD2-NH1 2.9Å; D709-R713 IonicContact OD2-NH2 3.61Å; D709-R713 PolarHBondContact OD2-NH2 3.44Å; D709-I747 WeakPolarHBondContact OD2-CD1 3.33Å |
| 710 | Q | 85 | Confident | 84.9 | Confident | 14 Ų | 14 | 53.2 Ų | 53.2 | 7% | 0.065 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -88.2 | -32.6 | -179.3 | -175.3 | 45.9 | 40.4 | 0 | 0 | 112.5 | T360 G406 K706 V707 N708 R713 E714 | T360-Q710 WeakPolarHBondContact OG1-CG 3.48Å; T360-Q710 PolarHBondContact OG1-NE2 2.99Å; G406-Q710 VanDerWaalsContact N-NE2 3.14Å; K706-Q710 VanDerWaalsContact O-CB 3.29Å; K706-Q710 WeakPolarHBondContact O-CB 3.48Å; K706-Q710 PolarHBondContact O-N 2.99Å; K706-Q710 VanDerWaalsContact O-N 3.07Å; V707-Q710 PolarHBondContact O-N 3.4Å; N708-Q710 PolarHBondContact O-N 3.31Å; N708-Q710 VanDerWaalsContact O-N 3.09Å; Q710-R713 PolarHBondContact O-N 2.98Å; Q710-E714 PolarHBondContact NE2-OE1 3.04Å; Q710-E714 WeakPolarHBondContact O-CB 3.11Å; Q710-E714 VanDerWaalsContact O-CG 3.31Å; Q710-E714 WeakPolarHBondContact O-CG 3.36Å; Q710-E714 PolarHBondContact O-N 3.07Å |
| 711 | A | 87.6 | Confident | 85 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.7 | -47.6 | 171 | 0 | 0 | 0 | 0 | 0 | 111.6 | G361 Q363 V707 N708 R713 E714 L715 | G361-A711 WeakPolarHBondContact O-CB 3.32Å; Q363-A711 HydrophobicContact CG-CB 3.77Å; V707-A711 VanDerWaalsContact O-CB 3.24Å; V707-A711 WeakPolarHBondContact O-CB 3.05Å; V707-A711 PolarHBondContact O-N 3.35Å; N708-A711 WeakPolarHBondContact O-CB 3.24Å; N708-A711 PolarHBondContact O-N 2.99Å; A711-R713 VanDerWaalsContact C-N 3.31Å; A711-R713 PolarHBondContact O-N 3.31Å; A711-E714 WeakPolarHBondContact O-CB 3.3Å; A711-E714 PolarHBondContact O-N 2.93Å; A711-E714 VanDerWaalsContact O-N 3.17Å; A711-L715 WeakPolarHBondContact O-CB 3.47Å; A711-L715 VanDerWaalsContact O-CG 3.25Å; A711-L715 WeakPolarHBondContact O-CG 3.22Å; A711-L715 PolarHBondContact O-N 3.18Å |
| 712 | E | 89.3 | Confident | 85.1 | Confident | 109 Ų | 109 | 48.9 Ų | 48.9 | 51% | 0.509 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.6 | -41.2 | 175.8 | -73.2 | -176.8 | -165.1 | 0 | 0 | 111.7 | N708 L715 A716 | N708-E712 PolarHBondContact ND2-OE1 3.45Å; N708-E712 PolarHBondContact O-N 3.46Å; E712-L715 PolarHBondContact O-N 3.29Å; E712-A716 WeakPolarHBondContact O-CB 3.39Å; E712-A716 PolarHBondContact O-N 2.91Å |
| 713 | R | 86.6 | Confident | 85 | Confident | 122 Ų | 122 | 47.6 Ų | 47.6 | 46% | 0.46 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.7 | -38.2 | 175.2 | -73 | 168.4 | -172.4 | 136.1 | 13.3 | 112.7 | D709 Q710 A711 Y717 | D709-R713 WeakPolarHBondContact O-CD 3.18Å; D709-R713 WeakPolarHBondContact O-CG 3.11Å; D709-R713 PolarHBondContact O-NE 3.18Å; D709-R713 IonicContact OD1-NH2 2.7Å; D709-R713 IonicContact OD2-CZ 3.62Å; D709-R713 IonicContact OD2-NH1 3.86Å; D709-R713 PolarHBondContact OD2-NH1 2.9Å; D709-R713 IonicContact OD2-NH2 3.61Å; D709-R713 PolarHBondContact OD2-NH2 3.44Å; Q710-R713 PolarHBondContact O-N 2.98Å; A711-R713 VanDerWaalsContact C-N 3.31Å; A711-R713 PolarHBondContact O-N 3.31Å; R713-Y717 VanDerWaalsContact O-CB 3.28Å; R713-Y717 WeakPolarHBondContact O-CB 3.36Å; R713-Y717 PolarHBondContact O-N 2.83Å; R713-Y717 VanDerWaalsContact O-N 3.07Å |
| 714 | E | 87.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66 | -44.4 | 173.6 | -79 | 165 | -160.2 | 0 | 0 | 111.6 | S359 T360 G361 F364 I407 Q710 A711 F718 | S359-E714 WeakPolarHBondContact CB-OE2 3.47Å; S359-E714 PolarHBondContact OG-OE2 2.91Å; T360-E714 PolarHBondContact N-OE1 3.39Å; T360-E714 PolarHBondContact OG1-OE1 2.95Å; G361-E714 WeakPolarHBondContact CA-OE2 3.11Å; G361-E714 PolarHBondContact N-OE1 2.82Å; G361-E714 PolarHBondContact N-OE2 2.8Å; F364-E714 HydrophobicContact CE2-CB 4.27Å; I407-E714 VanDerWaalsContact CD1-O 3.32Å; I407-E714 WeakPolarHBondContact CD1-O 3.47Å; Q710-E714 PolarHBondContact NE2-OE1 3.04Å; Q710-E714 WeakPolarHBondContact O-CB 3.11Å; Q710-E714 VanDerWaalsContact O-CG 3.31Å; Q710-E714 WeakPolarHBondContact O-CG 3.36Å; Q710-E714 PolarHBondContact O-N 3.07Å; A711-E714 WeakPolarHBondContact O-CB 3.3Å; A711-E714 PolarHBondContact O-N 2.93Å; A711-E714 VanDerWaalsContact O-N 3.17Å; E714-F718 WeakPolarHBondContact O-CB 3.4Å; E714-F718 PolarHBondContact O-N 2.6Å |
| 715 | L | 87.8 | Confident | 82.8 | Confident | 39 Ų | 39 | 58.9 Ų | 58.9 | 20% | 0.204 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66 | -52.3 | 177.8 | -66.7 | 167.8 | 0 | 0 | 0 | 111.3 | Q363 R380 A711 E712 Y717 F718 D719 | Q363-L715 HydrophobicContact CG-CD1 4.36Å; Q363-L715 HydrophobicContact CG-CD2 4.28Å; Q363-L715 HydrophobicContact CG-CG 4.11Å; R380-L715 HydrophobicContact CG-CD2 3.73Å; A711-L715 WeakPolarHBondContact O-CB 3.47Å; A711-L715 VanDerWaalsContact O-CG 3.25Å; A711-L715 WeakPolarHBondContact O-CG 3.22Å; A711-L715 PolarHBondContact O-N 3.18Å; E712-L715 PolarHBondContact O-N 3.29Å; L715-Y717 VanDerWaalsContact C-N 3.3Å; L715-Y717 PolarHBondContact O-N 3.26Å; L715-F718 PolarHBondContact O-N 2.87Å; L715-F718 VanDerWaalsContact O-N 3.12Å; L715-D719 WeakPolarHBondContact O-CB 3.43Å; L715-D719 VanDerWaalsContact O-CG 3.25Å; L715-D719 PolarHBondContact O-N 3.15Å |
| 716 | A | 87.1 | Confident | 81.1 | Confident | 63 Ų | 63 | 61.9 Ų | 61.9 | 52% | 0.521 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.7 | -38 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E712 L720 | E712-A716 WeakPolarHBondContact O-CB 3.39Å; E712-A716 PolarHBondContact O-N 2.91Å; A716-L720 WeakPolarHBondContact O-CB 3.5Å; A716-L720 PolarHBondContact O-N 2.92Å; A716-L720 VanDerWaalsContact O-N 3.08Å |
| 717 | Y | 86.3 | Confident | 79.5 | Confident | 77 Ų | 77 | 62.1 Ų | 62.1 | 30% | 0.302 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -70.8 | -41.5 | 174.7 | -173.1 | -106.8 | 0 | 0 | 0 | 112.4 | I407 Y423 R713 L715 E721 | I407-Y717 HydrophobicContact CB-CD1 4.02Å; I407-Y717 HydrophobicContact CB-CE1 4.36Å; I407-Y717 HydrophobicContact CD1-CD1 3.81Å; I407-Y717 HydrophobicContact CG1-CD1 3.86Å; Y423-Y717 PolarHBondContact O-OH 3.05Å; R713-Y717 VanDerWaalsContact O-CB 3.28Å; R713-Y717 WeakPolarHBondContact O-CB 3.36Å; R713-Y717 PolarHBondContact O-N 2.83Å; R713-Y717 VanDerWaalsContact O-N 3.07Å; L715-Y717 VanDerWaalsContact C-N 3.3Å; L715-Y717 PolarHBondContact O-N 3.26Å; Y717-E721 HydrophobicContact CD1-CG 4.47Å; Y717-E721 HydrophobicContact CD2-CG 4.37Å; Y717-E721 HydrophobicContact CE1-CG 3.95Å; Y717-E721 HydrophobicContact CE2-CG 3.79Å; Y717-E721 WeakPolarHBondContact O-CB 3.38Å; Y717-E721 WeakPolarHBondContact O-CG 3.04Å; Y717-E721 PolarHBondContact O-N 3.27Å; Y717-E721 VanDerWaalsContact O-N 3.07Å; Y717-E721 PolarHBondContact OH-OE1 3.34Å |
| 718 | F | 88 | Confident | 77.7 | Confident | 8 Ų | 8 | 67.6 Ų | 67.6 | 4% | 0.035 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.6 | -49 | 176.4 | -170.2 | -84.6 | 0 | 0 | 0 | 111 | F364 Q387 I407 Y423 E714 L715 E721 T722 | F364-F718 AromaticContact CE1-CD2 3.83Å; F364-F718 HydrophobicContact CE1-CD2 3.83Å; F364-F718 AromaticContact CE1-CE2 3.88Å; F364-F718 HydrophobicContact CE1-CE2 3.88Å; F364-F718 HydrophobicContact CZ-CB 4.23Å; F364-F718 AromaticContact CZ-CD2 3.52Å; F364-F718 HydrophobicContact CZ-CD2 3.52Å; F364-F718 HydrophobicContact CZ-CE2 4.07Å; F364-F718 HydrophobicContact CZ-CG 4.05Å; Q387-F718 HydrophobicContact CG-CE2 4.43Å; Q387-F718 HydrophobicContact CG-CZ 4.31Å; I407-F718 HydrophobicContact CD1-CB 3.48Å; I407-F718 VanDerWaalsContact CD1-CB 3.48Å; I407-F718 HydrophobicContact CD1-CD2 3.91Å; I407-F718 HydrophobicContact CD1-CG 4.2Å; Y423-F718 AromaticContact CD1-CD2 3.86Å; Y423-F718 HydrophobicContact CD1-CD2 3.86Å; Y423-F718 HydrophobicContact CD1-CE2 4.12Å; Y423-F718 HydrophobicContact CD1-CG 4.35Å; Y423-F718 HydrophobicContact CD2-CD2 4.45Å; Y423-F718 HydrophobicContact CD2-CE2 4.05Å; Y423-F718 HydrophobicContact CE1-CD1 4.3Å; Y423-F718 AromaticContact CE1-CD2 3.79Å; Y423-F718 HydrophobicContact CE1-CD2 3.79Å; Y423-F718 HydrophobicContact CE1-CE1 4.3Å; Y423-F718 AromaticContact CE1-CE2 3.78Å; Y423-F718 HydrophobicContact CE1-CE2 3.78Å; Y423-F718 HydrophobicContact CE1-CG 4.09Å; Y423-F718 HydrophobicContact CE1-CZ 4.06Å; Y423-F718 HydrophobicContact CE2-CD2 4.37Å; Y423-F718 AromaticContact CE2-CE2 3.67Å; Y423-F718 HydrophobicContact CE2-CE2 3.67Å; Y423-F718 HydrophobicContact CE2-CZ 4.02Å; Y423-F718 HydrophobicContact CG-CD2 4.19Å; Y423-F718 HydrophobicContact CG-CE2 4.24Å; Y423-F718 AromaticContact CZ-CE2 3.52Å; Y423-F718 AromaticContact CZ-CZ 3.58Å; Y423-F718 WeakPolarHBondContact OH-CZ 3.42Å; E714-F718 WeakPolarHBondContact O-CB 3.4Å; E714-F718 PolarHBondContact O-N 2.6Å; L715-F718 PolarHBondContact O-N 2.87Å; L715-F718 VanDerWaalsContact O-N 3.12Å; F718-E721 CarbonylContact O-C 3.54Å; F718-E721 PolarHBondContact O-N 2.6Å; F718-T722 WeakPolarHBondContact CD1-OG1 3.38Å; F718-T722 HydrophobicContact CE1-CG2 4.35Å; F718-T722 WeakPolarHBondContact CE1-OG1 3.39Å; F718-T722 WeakPolarHBondContact O-CB 3.03Å; F718-T722 PolarHBondContact O-N 2.74Å; F718-T722 PolarHBondContact O-OG1 2.82Å |
| 719 | D | 86.7 | Confident | 75.1 | Confident | 84 Ų | 84 | 74 Ų | 74 | 45% | 0.449 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -73.2 | -32.7 | -170.9 | -63.5 | -12.9 | 0 | 0 | 0 | 110.7 | R380 L715 T722 S723 | R380-D719 IonicContact CZ-OD1 2.96Å; R380-D719 IonicContact NH1-OD1 2.75Å; R380-D719 PolarHBondContact NH1-OD1 2.84Å; R380-D719 IonicContact NH1-OD2 3.32Å; L715-D719 WeakPolarHBondContact O-CB 3.43Å; L715-D719 VanDerWaalsContact O-CG 3.25Å; L715-D719 PolarHBondContact O-N 3.15Å; D719-T722 CarbonylContact O-C 3.55Å; D719-T722 PolarHBondContact O-N 2.75Å; D719-S723 PolarHBondContact O-N 2.96Å |
| 720 | L | 84 | Confident | 72.8 | Confident | 92 Ų | 92 | 78 Ų | 78 | 48% | 0.482 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.9 | -52.5 | 167.6 | 179.6 | 66.2 | 0 | 0 | 0 | 112 | A716 T722 S723 L727 | A716-L720 WeakPolarHBondContact O-CB 3.5Å; A716-L720 PolarHBondContact O-N 2.92Å; A716-L720 VanDerWaalsContact O-N 3.08Å; L720-T722 PolarHBondContact O-N 2.99Å; L720-S723 PolarHBondContact O-N 3.38Å; L720-S723 VanDerWaalsContact O-N 3.15Å; L720-L727 HydrophobicContact CD1-CD2 3.99Å; L720-L727 HydrophobicContact CD2-CD2 4.05Å; L720-L727 HydrophobicContact CG-CD2 4Å |
| 721 | E | 83.4 | Confident | 70.3 | Confident | 21 Ų | 21 | 82.7 Ų | 82.7 | 10% | 0.098 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -68.5 | -13.2 | 176.2 | -68.3 | -76.7 | -171.9 | 0 | 0 | 112.5 | Y423 E424 R425 R426 Y717 F718 | Y423-E721 HydrophobicContact CD1-CB 3.76Å; Y423-E721 HydrophobicContact CE1-CB 3.97Å; E424-E721 WeakPolarHBondContact CA-OE2 3.27Å; R425-E721 CarbonylContact C-O 3.5Å; R425-E721 VanDerWaalsContact CA-O 3.31Å; R425-E721 WeakPolarHBondContact CA-O 3.43Å; R425-E721 PolarHBondContact N-OE2 2.81Å; R426-E721 PolarHBondContact N-O 2.76Å; Y717-E721 HydrophobicContact CD1-CG 4.47Å; Y717-E721 HydrophobicContact CD2-CG 4.37Å; Y717-E721 HydrophobicContact CE1-CG 3.95Å; Y717-E721 HydrophobicContact CE2-CG 3.79Å; Y717-E721 WeakPolarHBondContact O-CB 3.38Å; Y717-E721 WeakPolarHBondContact O-CG 3.04Å; Y717-E721 PolarHBondContact O-N 3.27Å; Y717-E721 VanDerWaalsContact O-N 3.07Å; Y717-E721 PolarHBondContact OH-OE1 3.34Å; F718-E721 CarbonylContact O-C 3.54Å; F718-E721 PolarHBondContact O-N 2.6Å |
| 722 | T | 82.8 | Confident | 67.6 | Low | 40 Ų | 40 | 87.9 Ų | 87.9 | 25% | 0.245 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -93.9 | -11.8 | 174.3 | -57.2 | 0 | 0 | 0 | 0 | 112.9 | Y423 R426 F718 D719 L720 | Y423-T722 WeakPolarHBondContact CE1-OG1 3.24Å; Y423-T722 PolarHBondContact OH-OG1 3.35Å; R426-T722 PolarHBondContact NE-O 3.41Å; R426-T722 PolarHBondContact NH2-O 3.11Å; F718-T722 WeakPolarHBondContact CD1-OG1 3.38Å; F718-T722 HydrophobicContact CE1-CG2 4.35Å; F718-T722 WeakPolarHBondContact CE1-OG1 3.39Å; F718-T722 WeakPolarHBondContact O-CB 3.03Å; F718-T722 PolarHBondContact O-N 2.74Å; F718-T722 PolarHBondContact O-OG1 2.82Å; D719-T722 CarbonylContact O-C 3.55Å; D719-T722 PolarHBondContact O-N 2.75Å; L720-T722 PolarHBondContact O-N 2.99Å |
| 723 | S | 75.5 | Confident | 64.9 | Low | 46 Ų | 46 | 89 Ų | 89 | 32% | 0.322 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -65.2 | 172.4 | 177 | -164 | 0 | 0 | 0 | 0 | 112.4 | R426 D719 L720 D725 | R426-S723 PolarHBondContact NE-O 3.09Å; R426-S723 VanDerWaalsContact NE-O 3.07Å; D719-S723 PolarHBondContact O-N 2.96Å; L720-S723 PolarHBondContact O-N 3.38Å; L720-S723 VanDerWaalsContact O-N 3.15Å; S723-D725 PolarHBondContact OG-N 3.3Å; S723-D725 PolarHBondContact OG-OD2 2.65Å |
| 724 | K | 56.5 | Low | 62.2 | Low | 180 Ų | 180 | 86.3 Ų | 86.3 | 78% | 0.783 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -93.7 | -15.7 | 163.2 | -70.9 | -171.2 | 179.1 | 178 | 0 | 112.4 | ||
| 725 | D | 57.6 | Low | 59.3 | Low | 124 Ų | 124 | 98.3 Ų | 98.3 | 66% | 0.663 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -70.5 | 141.5 | -170.9 | -51.8 | -53.9 | 0 | 0 | 0 | 111.5 | S723 L727 | S723-D725 PolarHBondContact OG-N 3.3Å; S723-D725 PolarHBondContact OG-OD2 2.65Å; D725-L727 PolarHBondContact O-N 3.36Å |
| 726 | P | 48.5 | Very low | 56.5 | Low | 120 Ų | 120 | 107.5 Ų | 107.5 | 78% | 0.779 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 130.5 | 172.9 | 28.2 | -33.1 | 0 | 0 | 0 | 109.8 | ||
| 727 | L | 49.7 | Very low | 53.6 | Low | 87 Ų | 87 | 115.7 Ų | 115.7 | 46% | 0.455 | 61% | 0.61 | S | S | . | * | P | Polyproline II helix | trans | -51.6 | 131.8 | 170.8 | -72.3 | 167 | 0 | 0 | 0 | 109.7 | L720 D725 E729 | L720-L727 HydrophobicContact CD1-CD2 3.99Å; L720-L727 HydrophobicContact CD2-CD2 4.05Å; L720-L727 HydrophobicContact CG-CD2 4Å; D725-L727 PolarHBondContact O-N 3.36Å; L727-E729 PolarHBondContact O-N 3.36Å |
| 728 | P | 47.5 | Very low | 50.8 | Low | 117 Ų | 117 | 118 Ų | 118 | 76% | 0.76 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 128.8 | 179.6 | 25.4 | -33.7 | 0 | 0 | 0 | 110 | ||
| 729 | E | 33.9 | Very low | 47.9 | Very low | 178 Ų | 178 | 122 Ų | 122 | 83% | 0.832 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 136 | 177.7 | -68.4 | -161.2 | 144.1 | 0 | 0 | 110.6 | L727 | L727-E729 PolarHBondContact O-N 3.36Š|
| 730 | P | 36.4 | Very low | 45.1 | Very low | 116 Ų | 116 | 130.3 Ų | 130.3 | 75% | 0.753 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 129.3 | 177.4 | 26.2 | -33.4 | 0 | 0 | 0 | 109.6 | A732 | P730-A732 PolarHBondContact O-N 3.33Š|
| 731 | P | 34.3 | Very low | 42.3 | Very low | 113 Ų | 113 | 134.7 Ų | 134.7 | 73% | 0.734 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 122.3 | -165.2 | 21.8 | -33.4 | 0 | 0 | 0 | 112.5 | T733 | P731-T733 VanDerWaalsContact C-N 3.27Å; P731-T733 PolarHBondContact O-N 3.01Å |
| 732 | A | 29.7 | Very low | 39.6 | Very low | 109 Ų | 109 | 139.1 Ų | 139.1 | 90% | 0.901 | 75% | 0.748 | S | S | * | * | trans | -72.3 | 68.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | P730 | P730-A732 PolarHBondContact O-N 3.33Š| ||
| 733 | T | 33.7 | Very low | 36.9 | Very low | 132 Ų | 132 | 144.1 Ų | 144.1 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | trans | -135.5 | 162 | 174 | 67.5 | 0 | 0 | 0 | 0 | 110 | P731 | P731-T733 VanDerWaalsContact C-N 3.27Å; P731-T733 PolarHBondContact O-N 3.01Å | ||
| 734 | G | 29.3 | Very low | 34.5 | Very low | 67 Ų | 67 | 146 Ų | 146 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | cis | 172 | 138.9 | -2.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | R736 | G734-R736 PolarHBondContact O-N 2.99Š| ||
| 735 | R | 27.5 | Very low | 32.9 | Very low | 252 Ų | 252 | 143.2 Ų | 143.2 | 95% | 0.951 | 80% | 0.795 | S | S | * | * | trans | -76.9 | 103.2 | -172.6 | -77.3 | -179.4 | 172.2 | 172.4 | -0.7 | 113.6 | ||||
| 736 | R | 28.9 | Very low | 31.4 | Very low | 231 Ų | 231 | 142.9 Ų | 142.9 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | trans | -166.2 | 124.2 | 146.5 | -101.2 | 148.2 | -169 | -130.5 | 4.9 | 108.9 | G734 | G734-R736 PolarHBondContact O-N 2.99Š| ||
| 737 | R | 26.2 | Very low | 30.4 | Very low | 236 Ų | 236 | 141.1 Ų | 141.1 | 89% | 0.891 | 78% | 0.78 | S | S | * | * | 66.5 | 124 | 94.3 | -78.9 | -167.1 | 174.6 | -172.4 | -1 | 114.7 | |||||
| 738 | S | 27.1 | Very low | 29.3 | Very low | 124 Ų | 124 | 144.1 Ų | 144.1 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | 53.8 | 68.2 | 155.8 | 55.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 739 | A | 25.9 | Very low | 28.2 | Very low | 94 Ų | 94 | 142.7 Ų | 142.7 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | trans | -156.4 | 139.9 | 145.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 740 | R | 27.9 | Very low | 27.8 | Very low | 257 Ų | 257 | 143 Ų | 143 | 97% | 0.97 | 80% | 0.801 | S | S | * | * | trans | -153.3 | 53.9 | 165.5 | -99 | -165 | 175.3 | -172.3 | -5.1 | 110.9 | ||||
| 741 | Q | 26.6 | Very low | 27.4 | Very low | 185 Ų | 185 | 144.8 Ų | 144.8 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | -105.5 | 160.4 | 156 | -73.9 | 169.1 | -45.1 | 0 | 0 | 107.9 | ||||
| 742 | S | 25.4 | Very low | 27.2 | Very low | 113 Ų | 113 | 143.8 Ų | 143.8 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | 54.4 | 142.2 | -165.9 | 67.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 743 | V | 26.5 | Very low | 27.1 | Very low | 146 Ų | 146 | 146 Ų | 146 | 89% | 0.885 | 81% | 0.808 | S | S | * | * | S | Bend | cis | -117.4 | 111.9 | 21.5 | -179.7 | 0 | 0 | 0 | 0 | 110.5 | ||
| 744 | A | 25.5 | Very low | 26.9 | Very low | 84 Ų | 84 | 147.6 Ų | 147.6 | 69% | 0.694 | 81% | 0.811 | S | S | * | * | trans | -166.8 | 53.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 745 | T | 24.1 | Very low | 26.9 | Very low | 123 Ų | 123 | 149.5 Ų | 149.5 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | -142.9 | 155.1 | -175.2 | -36.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 746 | V | 24.6 | Very low | 27 | Very low | 117 Ų | 117 | 141 Ų | 141 | 71% | 0.709 | 80% | 0.799 | S | S | * | * | S | Bend | trans | 70.5 | 117.7 | -160.5 | -167.8 | 0 | 0 | 0 | 0 | 110.2 | ||
| 747 | I | 27.7 | Very low | 27 | Very low | 82 Ų | 82 | 138 Ų | 138 | 42% | 0.421 | 80% | 0.801 | S | S | . | * | S | Bend | cis | -115.7 | 109.1 | 12.6 | -51.5 | 163.6 | 0 | 0 | 0 | 110.7 | K706 D709 | K706-I747 HydrophobicContact CG-CD1 4.22Å; D709-I747 WeakPolarHBondContact OD2-CD1 3.33Å |
| 748 | V | 26.1 | Very low | 27.3 | Very low | 151 Ų | 151 | 132.4 Ų | 132.4 | 92% | 0.915 | 80% | 0.798 | S | S | * | * | trans | -152.4 | 77.3 | 158.7 | -172.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 749 | A | 25.3 | Very low | 27.5 | Very low | 86 Ų | 86 | 134.1 Ų | 134.1 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | -152.2 | 167.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 750 | E | 25.1 | Very low | 28 | Very low | 184 Ų | 184 | 137.9 Ų | 137.9 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 70.6 | 56.2 | 175.5 | -56.8 | -177.1 | 165.6 | 0 | 0 | 117.6 | ||
| 751 | V | 28.9 | Very low | 28.2 | Very low | 154 Ų | 154 | 134.7 Ų | 134.7 | 93% | 0.933 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -151 | 72.8 | 131 | -170.8 | 0 | 0 | 0 | 0 | 107.6 | ||
| 752 | A | 29.2 | Very low | 28.5 | Very low | 93 Ų | 93 | 137 Ų | 137 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -146.6 | 1.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 753 | D | 27.1 | Very low | 29 | Very low | 156 Ų | 156 | 138 Ų | 138 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | trans | -76.8 | 166.2 | 166.1 | -65.8 | -54.1 | 0 | 0 | 0 | 111 | ||||
| 754 | L | 29.4 | Very low | 29.3 | Very low | 165 Ų | 165 | 136.9 Ų | 136.9 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | S | Bend | trans | 74.4 | 57.3 | -176.1 | -49.6 | 176.1 | 0 | 0 | 0 | 117.1 | ||
| 755 | T | 30.5 | Very low | 29.5 | Very low | 107 Ų | 107 | 139.6 Ų | 139.6 | 66% | 0.656 | 80% | 0.798 | S | S | * | * | -158.2 | 117.5 | 126 | 28.9 | 0 | 0 | 0 | 0 | 109.3 | R172 | R172-T755 PolarHBondContact NH1-OG1 2.96Š| |||
| 756 | G | 28.3 | Very low | 30 | Very low | 73 Ų | 73 | 144.4 Ų | 144.4 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | -91.3 | 179.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 757 | D | 29.2 | Very low | 30.5 | Very low | 168 Ų | 168 | 145.2 Ų | 145.2 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | trans | 50 | 92.5 | 163 | -57.4 | -3.7 | 0 | 0 | 0 | 119 | ||||
| 758 | S | 32.3 | Very low | 30.6 | Very low | 118 Ų | 118 | 150.2 Ų | 150.2 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | -166 | 119.4 | 124.2 | 62.3 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 759 | D | 31.7 | Very low | 31 | Very low | 160 Ų | 160 | 150 Ų | 150 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | trans | -68.3 | 144.3 | 169.1 | -53.9 | -75.2 | 0 | 0 | 0 | 111.4 | ||||
| 760 | D | 36.8 | Very low | 31.3 | Very low | 174 Ų | 174 | 150.8 Ų | 150.8 | 93% | 0.93 | 83% | 0.825 | S | S | * | * | trans | -165.2 | 139.1 | 146.9 | -109.7 | -28.1 | 0 | 0 | 0 | 110.1 | ||||
| 761 | E | 31.9 | Very low | 31.7 | Very low | 190 Ų | 190 | 147 Ų | 147 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | trans | -107.2 | 128 | -163.9 | -177 | 177.1 | -149.8 | 0 | 0 | 111.9 | ||||
| 762 | Y | 33.2 | Very low | 31.7 | Very low | 233 Ų | 233 | 145.5 Ų | 145.5 | 91% | 0.914 | 81% | 0.81 | S | S | * | * | trans | -152.2 | 140 | 169.2 | -150.6 | -102.6 | 0 | 0 | 0 | 115.1 | ||||
| 763 | D | 36.3 | Very low | 31.8 | Very low | 135 Ų | 135 | 150.7 Ų | 150.7 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | trans | -99.2 | 147.9 | -163.7 | -163.6 | 36.8 | 0 | 0 | 0 | 112.8 | ||||
| 764 | P | 31.4 | Very low | 32 | Very low | 121 Ų | 121 | 148.3 Ų | 148.3 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | trans | -109.6 | 81.4 | -168.5 | 38.9 | -28.2 | 0 | 0 | 0 | 114 | ||||
| 765 | D | 30 | Very low | 32 | Very low | 142 Ų | 142 | 144 Ų | 144 | 76% | 0.759 | 81% | 0.807 | S | S | * | * | trans | -145.6 | 116.1 | 167.8 | -147.2 | -8.4 | 0 | 0 | 0 | 112.9 | ||||
| 766 | Y | 34.1 | Very low | 32 | Very low | 223 Ų | 223 | 151.3 Ų | 151.3 | 88% | 0.875 | 82% | 0.822 | S | S | * | * | trans | 179.5 | 105.2 | 155.7 | -110.6 | -67.1 | 0 | 0 | 0 | 112.5 | ||||
| 767 | T | 36.6 | Very low | 32 | Very low | 134 Ų | 134 | 158.2 Ų | 158.2 | 82% | 0.822 | 83% | 0.826 | S | S | * | * | 153.2 | 112.1 | 126.7 | 41.9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 768 | Q | 29.5 | Very low | 32.1 | Very low | 187 Ų | 187 | 162.3 Ų | 162.3 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | trans | -112.6 | 147.6 | 157.5 | -65.9 | -172.3 | 20.8 | 0 | 0 | 109.2 | ||||
| 769 | D | 35 | Very low | 31.9 | Very low | 147 Ų | 147 | 166.6 Ų | 166.6 | 79% | 0.786 | 83% | 0.826 | S | S | * | * | trans | -179.3 | 119.2 | 130.9 | -102.6 | -33.8 | 0 | 0 | 0 | 108.2 | ||||
| 770 | S | 31.2 | Very low | 31.8 | Very low | 103 Ų | 103 | 165.3 Ų | 165.3 | 72% | 0.72 | 82% | 0.818 | S | S | * | * | 82.3 | 145.4 | 81.5 | 90.2 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 771 | S | 33.2 | Very low | 31.4 | Very low | 105 Ų | 105 | 168.1 Ų | 168.1 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | cis | -150.3 | 164.4 | 5.9 | 56.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 772 | T | 29 | Very low | 31.4 | Very low | 121 Ų | 121 | 165.3 Ų | 165.3 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | trans | 0.1 | 134.7 | 162.1 | 52.2 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 773 | F | 31.1 | Very low | 31.2 | Very low | 202 Ų | 202 | 166 Ų | 166 | 89% | 0.886 | 81% | 0.813 | S | S | * | * | -155.8 | 175.1 | 98 | -138.2 | -104.8 | 0 | 0 | 0 | 113.5 | |||||
| 774 | S | 30.5 | Very low | 30.9 | Very low | 107 Ų | 107 | 169.8 Ų | 169.8 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | trans | -111.7 | 158.9 | -160.8 | 76.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 775 | G | 30.8 | Very low | 31.1 | Very low | 74 Ų | 74 | 170.1 Ų | 170.1 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | trans | -168.2 | 48.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 776 | R | 30.8 | Very low | 31.2 | Very low | 261 Ų | 261 | 169.8 Ų | 169.8 | 99% | 0.985 | 81% | 0.81 | S | S | * | * | trans | 60.9 | 130.5 | 166.6 | -68.8 | -174.9 | 171.5 | -169.7 | -1.8 | 120.1 | ||||
| 777 | R | 26.6 | Very low | 31.1 | Very low | 218 Ų | 218 | 165.7 Ų | 165.7 | 82% | 0.823 | 80% | 0.803 | S | S | * | * | trans | -133.5 | 146.6 | 167.2 | -141.5 | -175.8 | -166.7 | 172.3 | 7.1 | 108 | ||||
| 778 | R | 33 | Very low | 30.8 | Very low | 254 Ų | 254 | 166.6 Ų | 166.6 | 96% | 0.958 | 80% | 0.803 | S | S | * | * | trans | -135.6 | 152.6 | 156.1 | -87.4 | -168.8 | 172.3 | 176.6 | -2.4 | 110.2 | ||||
| 779 | R | 26.5 | Very low | 31 | Very low | 207 Ų | 207 | 160.8 Ų | 160.8 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | trans | -169.5 | 178.7 | -167.6 | -160.3 | -177.3 | -167.5 | -166 | 5.4 | 107.1 | ||||
| 780 | I | 30.6 | Very low | 30.8 | Very low | 134 Ų | 134 | 159.5 Ų | 159.5 | 69% | 0.687 | 79% | 0.79 | S | S | * | * | trans | 81.1 | 140 | 168.7 | -52.1 | 160.8 | 0 | 0 | 0 | 111.2 | ||||
| 781 | R | 29.2 | Very low | 30.7 | Very low | 232 Ų | 232 | 161.5 Ų | 161.5 | 88% | 0.875 | 79% | 0.793 | S | S | * | * | cis | -140.5 | 173.7 | 12.5 | -139.8 | 146.2 | -144 | 156.9 | 1.3 | 112 | ||||
| 782 | T | 30.5 | Very low | 30.8 | Very low | 132 Ų | 132 | 162.9 Ų | 162.9 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -113.4 | 155.8 | 166.1 | 49.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 783 | R | 30.3 | Very low | 30.8 | Very low | 246 Ų | 246 | 163.5 Ų | 163.5 | 93% | 0.928 | 80% | 0.796 | S | S | * | * | trans | -154 | 165.9 | 153.3 | -124.4 | 177.3 | 179.1 | 168.7 | -2.2 | 110.1 | ||||
| 784 | R | 28.3 | Very low | 31 | Very low | 216 Ų | 216 | 159.8 Ų | 159.8 | 82% | 0.815 | 79% | 0.785 | S | S | * | * | trans | -100.7 | 168.9 | 176.7 | -65.4 | 172.9 | 175.6 | 165.7 | -8.2 | 109.1 | ||||
| 785 | D | 35.6 | Very low | 31 | Very low | 127 Ų | 127 | 161.9 Ų | 161.9 | 68% | 0.679 | 78% | 0.784 | S | S | * | * | 169.9 | 126.2 | 99.3 | -76 | -42.7 | 0 | 0 | 0 | 110.7 | |||||
| 786 | D | 32.7 | Very low | 30.9 | Very low | 135 Ų | 135 | 164.5 Ų | 164.5 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | trans | 58 | 124.4 | 136.1 | -60.7 | -1.6 | 0 | 0 | 0 | 126.7 | ||||
| 787 | L | 33.2 | Very low | 31.3 | Very low | 137 Ų | 137 | 160.4 Ų | 160.4 | 72% | 0.717 | 78% | 0.778 | S | S | * | * | trans | 80.2 | 121.6 | 130 | -65.2 | 169.2 | 0 | 0 | 0 | 125 | ||||
| 788 | N | 28.9 | Very low | 31.6 | Very low | 154 Ų | 154 | 153.8 Ų | 153.8 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | trans | 68.3 | 145 | 134.8 | -64.8 | 2.1 | 0 | 0 | 0 | 123.8 | ||||
| 789 | G | 33.7 | Very low | 31.6 | Very low | 65 Ų | 65 | 148.8 Ų | 148.8 | 67% | 0.67 | 76% | 0.762 | S | S | * | * | trans | 131.8 | 65.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 790 | T | 30.3 | Very low | 32 | Very low | 119 Ų | 119 | 145.7 Ų | 145.7 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | 61.3 | 112.5 | 88.2 | 64.5 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 791 | D | 30.2 | Very low | 32.1 | Very low | 146 Ų | 146 | 144.3 Ų | 144.3 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | trans | 51.4 | 111 | 136.5 | -43.6 | -28.5 | 0 | 0 | 0 | 121.4 | ||||
| 792 | T | 35.5 | Very low | 32.1 | Very low | 134 Ų | 134 | 139.6 Ų | 139.6 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | -170.1 | 128.8 | 108.7 | 21.8 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 793 | N | 29.3 | Very low | 32.2 | Very low | 133 Ų | 133 | 136.3 Ų | 136.3 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | 82.5 | 151.3 | 60 | -129.3 | 71.5 | 0 | 0 | 0 | 113.3 | |||||
| 794 | D | 33.6 | Very low | 32.2 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 66% | 0.663 | 73% | 0.729 | S | S | * | * | trans | 68.4 | 154.8 | 171.8 | -44.2 | -25.9 | 0 | 0 | 0 | 117.2 | ||||
| 795 | Q | 30.5 | Very low | 32.5 | Very low | 152 Ų | 152 | 127.7 Ų | 127.7 | 71% | 0.71 | 73% | 0.728 | S | S | * | * | -156.2 | 173.7 | -56.1 | -126.7 | 174.5 | -94.1 | 0 | 0 | 108.9 | |||||
| 796 | D | 30.3 | Very low | 32.4 | Very low | 128 Ų | 128 | 128.6 Ų | 128.6 | 68% | 0.684 | 73% | 0.733 | S | S | * | * | trans | 6.2 | 123.6 | 155 | -43.6 | -33 | 0 | 0 | 0 | 119.2 | ||||
| 797 | D | 37.7 | Very low | 32.2 | Very low | 176 Ų | 176 | 128.3 Ų | 128.3 | 94% | 0.941 | 73% | 0.731 | S | S | * | * | trans | -141.7 | 132.9 | 138.9 | -104.7 | -35 | 0 | 0 | 0 | 107.7 | ||||
| 798 | A | 32.8 | Very low | 32.1 | Very low | 79 Ų | 79 | 128.8 Ų | 128.8 | 65% | 0.653 | 74% | 0.735 | S | S | * | * | trans | -123.6 | -169.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 799 | D | 33.8 | Very low | 32 | Very low | 149 Ų | 149 | 126 Ų | 126 | 80% | 0.797 | 72% | 0.723 | S | S | * | * | trans | 57.8 | 104.5 | 160.4 | -54.4 | -20.5 | 0 | 0 | 0 | 118.4 | ||||
| 800 | D | 35.2 | Very low | 31.6 | Very low | 142 Ų | 142 | 127.5 Ų | 127.5 | 76% | 0.759 | 72% | 0.724 | S | S | * | * | 173.3 | 142.5 | 125.7 | -104.4 | 31.8 | 0 | 0 | 0 | 111.6 | |||||
| 801 | N | 32.1 | Very low | 31.4 | Very low | 105 Ų | 105 | 127.4 Ų | 127.4 | 56% | 0.561 | 73% | 0.728 | S | S | * | * | cis | -165.4 | 144.3 | -18.3 | -131.8 | -23.9 | 0 | 0 | 0 | 111.1 | ||||
| 802 | N | 29.3 | Very low | 31.2 | Very low | 132 Ų | 132 | 125.2 Ų | 125.2 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | trans | 54.8 | 164.7 | 153.1 | -53.8 | -38 | 0 | 0 | 0 | 122 | ||||
| 803 | G | 32.6 | Very low | 30.6 | Very low | 64 Ų | 64 | 122.3 Ų | 122.3 | 66% | 0.66 | 70% | 0.701 | S | S | * | * | trans | 92 | 61 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 804 | D | 30.4 | Very low | 30.4 | Very low | 130 Ų | 130 | 119.5 Ų | 119.5 | 70% | 0.695 | 69% | 0.692 | S | S | * | * | 72.6 | 144.7 | 65.7 | -56 | -50.3 | 0 | 0 | 0 | 113.7 | |||||
| 805 | D | 35.2 | Very low | 30 | Very low | 150 Ų | 150 | 119 Ų | 119 | 80% | 0.802 | 69% | 0.687 | S | S | * | * | trans | 64.8 | 131.1 | 170 | -53.6 | -10 | 0 | 0 | 0 | 118.8 | ||||
| 806 | D | 32.4 | Very low | 29.9 | Very low | 146 Ų | 146 | 116.5 Ų | 116.5 | 78% | 0.781 | 68% | 0.677 | S | S | * | * | cis | -162.1 | -178.8 | -20.1 | -142 | -10.6 | 0 | 0 | 0 | 111.5 | ||||
| 807 | D | 29.5 | Very low | 29.6 | Very low | 129 Ų | 129 | 118.7 Ų | 118.7 | 69% | 0.69 | 68% | 0.683 | S | S | * | * | trans | -53.7 | 141.1 | 176.8 | -88.3 | -43.1 | 0 | 0 | 0 | 116.6 | ||||
| 808 | D | 30.7 | Very low | 29 | Very low | 147 Ų | 147 | 115.1 Ų | 115.1 | 79% | 0.786 | 67% | 0.668 | S | S | * | * | -177.7 | 95 | 117.5 | -106.2 | -25.8 | 0 | 0 | 0 | 110.6 | |||||
| 809 | T | 27 | Very low | 28.7 | Very low | 96 Ų | 96 | 116.8 Ų | 116.8 | 59% | 0.589 | 67% | 0.666 | S | S | * | * | 82.1 | 120.9 | 82 | 68 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 810 | S | 25.6 | Very low | 28.2 | Very low | 97 Ų | 97 | 113 Ų | 113 | 68% | 0.678 | 65% | 0.651 | S | S | * | * | trans | 74.8 | 98.5 | 150.4 | 71.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 811 | S | 26 | Very low | 27.8 | Very low | 117 Ų | 117 | 110.2 Ų | 110.2 | 82% | 0.818 | 63% | 0.633 | S | S | * | * | 73.3 | -168.4 | 124.2 | -57 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 812 | L | 25.9 | Very low | 27.4 | Very low | 99 Ų | 99 | 111.6 Ų | 111.6 | 52% | 0.518 | 64% | 0.636 | S | S | . | * | trans | 77.7 | 86.2 | 170 | -51.6 | 162.1 | 0 | 0 | 0 | 115.1 | P852 | L812-P852 WeakPolarHBondContact CD1-O 2.98Š| ||
| 813 | S | 22.8 | Very low | 27.2 | Very low | 73 Ų | 73 | 111.3 Ų | 111.3 | 51% | 0.51 | 63% | 0.631 | S | S | . | * | cis | 79.7 | 154 | 32.8 | 99.2 | 0 | 0 | 0 | 0 | 116.2 | S850 I851 P852 | S813-S850 VanDerWaalsContact O-CB 3.27Å; S813-S850 WeakPolarHBondContact O-CB 3.5Å; S813-I851 CarbonylContact O-C 3.59Å; S813-I851 PolarHBondContact O-N 2.76Å; S813-P852 WeakPolarHBondContact O-CD 2.74Å | ||
| 814 | S | 24.7 | Very low | 26.7 | Very low | 75 Ų | 75 | 113.9 Ų | 113.9 | 52% | 0.524 | 63% | 0.629 | S | S | . | * | trans | -41.7 | 142.9 | -162.1 | 51.1 | 0 | 0 | 0 | 0 | 116.7 | I851 | S814-I851 CarbonylContact C-O 3.57Š| ||
| 815 | M | 26.2 | Very low | 26.4 | Very low | 113 Ų | 113 | 110.3 Ų | 110.3 | 56% | 0.557 | 61% | 0.613 | S | S | * | * | cis | -112.1 | 178.5 | 39.8 | -36.7 | 82.4 | -161.1 | 0 | 0 | 113.7 | S850 I851 | M815-S850 VanDerWaalsContact O-CA 3.28Å; M815-S850 WeakPolarHBondContact O-CA 3.29Å; M815-I851 PolarHBondContact N-O 3.03Å; M815-I851 PolarHBondContact O-N 3.39Å | ||
| 816 | I | 27 | Very low | 25.9 | Very low | 100 Ų | 100 | 103.3 Ų | 103.3 | 51% | 0.513 | 58% | 0.576 | S | S | . | * | cis | 84.3 | 113.5 | 7 | -58.2 | 173.8 | 0 | 0 | 0 | 117.7 | H849 | I816-H849 VanDerWaalsContact CG1-ND1 3.33Å; I816-H849 WeakPolarHBondContact CG1-ND1 3.21Å | ||
| 817 | E | 25.8 | Very low | 25.5 | Very low | 174 Ų | 174 | 99.3 Ų | 99.3 | 81% | 0.813 | 56% | 0.56 | S | S | * | * | trans | 178.8 | 119.3 | 147.9 | -98.6 | 156 | -139.9 | 0 | 0 | 107.5 | ||||
| 818 | T | 24.3 | Very low | 25.3 | Very low | 101 Ų | 101 | 93.4 Ų | 93.4 | 62% | 0.62 | 53% | 0.529 | S | S | * | . | 67.7 | 92.1 | 54.4 | 68.2 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 819 | D | 25.2 | Very low | 25.2 | Very low | 113 Ų | 113 | 90.1 Ų | 90.1 | 60% | 0.604 | 52% | 0.518 | S | S | * | . | -155 | 162.9 | 99 | -93.6 | -20.1 | 0 | 0 | 0 | 112 | R1473 | D819-R1473 IonicContact OD2-CZ 3.11Å; D819-R1473 IonicContact OD2-NH1 3.05Å; D819-R1473 PolarHBondContact OD2-NH1 2.79Å | |||
| 820 | S | 25 | Very low | 25.1 | Very low | 69 Ų | 69 | 86 Ų | 86 | 48% | 0.483 | 49% | 0.493 | S | S | . | . | cis | 151.1 | 65.7 | -25.8 | -79 | 0 | 0 | 0 | 0 | 108.1 | R1475 | S820-R1475 PolarHBondContact O-NE 2.7Å; S820-R1475 PolarHBondContact O-NH2 3.24Å | ||
| 821 | E | 25.1 | Very low | 25.2 | Very low | 84 Ų | 84 | 84.2 Ų | 84.2 | 39% | 0.393 | 48% | 0.476 | S | S | . | . | trans | -135.7 | 147.7 | 166 | -70.1 | -131.3 | -151.3 | 0 | 0 | 110.4 | R1475 | E821-R1475 HydrophobicContact CG-CG 4.31Å; E821-R1475 VanDerWaalsContact OE1-CB 3.28Å; E821-R1475 WeakPolarHBondContact OE1-CB 3.41Å; E821-R1475 VanDerWaalsContact OE1-CG 3.26Å; E821-R1475 WeakPolarHBondContact OE1-CG 3.41Å; E821-R1475 VanDerWaalsContact OE2-CD 3.27Å; E821-R1475 WeakPolarHBondContact OE2-CD 2.92Å; E821-R1475 IonicContact OE2-NE 3.21Å | ||
| 822 | E | 25.4 | Very low | 25.1 | Very low | 134 Ų | 134 | 80.9 Ų | 80.9 | 63% | 0.626 | 45% | 0.448 | S | S | * | . | trans | -123.9 | 108.2 | -152.4 | -67.9 | 157 | 105.1 | 0 | 0 | 112.9 | R1475 | E822-R1475 IonicContact OE2-CZ 3.77Å; E822-R1475 IonicContact OE2-NH1 2.66Å; E822-R1475 PolarHBondContact OE2-NH1 3.46Å; E822-R1475 IonicContact OE2-NH2 3.98Å; E822-R1475 PolarHBondContact OE2-NH2 2.89Å | ||
| 823 | E | 23.8 | Very low | 25.1 | Very low | 127 Ų | 127 | 77.9 Ų | 77.9 | 59% | 0.593 | 44% | 0.435 | S | S | * | . | trans | -126 | 72.5 | 169.1 | -76.9 | -179.8 | 168.3 | 0 | 0 | 111 | S825 | E823-S825 PolarHBondContact O-N 2.75Å; E823-S825 PolarHBondContact O-OG 2.96Å; E823-S825 VanDerWaalsContact O-OG 3.09Å | ||
| 824 | I | 22.8 | Very low | 25.2 | Very low | 118 Ų | 118 | 77.4 Ų | 77.4 | 61% | 0.605 | 43% | 0.427 | S | S | * | . | 13 | 59.6 | 121.2 | -20.5 | 171.5 | 0 | 0 | 0 | 115.4 | R256 | R256-I824 VanDerWaalsContact CD-CG2 3.45Å; R256-I824 WeakPolarHBondContact CD-O 3.3Å; R256-I824 HydrophobicContact CG-CG2 4.4Å; R256-I824 VanDerWaalsContact NE-CG2 3.26Å | |||
| 825 | S | 23.9 | Very low | 25.3 | Very low | 54 Ų | 54 | 76.3 Ų | 76.3 | 38% | 0.378 | 42% | 0.417 | S | S | . | . | trans | -112.3 | 114.1 | 174.7 | 46.9 | 0 | 0 | 0 | 0 | 109.6 | R256 E823 | R256-S825 PolarHBondContact NH1-O 2.95Å; E823-S825 PolarHBondContact O-N 2.75Å; E823-S825 PolarHBondContact O-OG 2.96Å; E823-S825 VanDerWaalsContact O-OG 3.09Å | ||
| 826 | S | 24 | Very low | 25.2 | Very low | 3 Ų | 3 | 72.4 Ų | 72.4 | 2% | 0.021 | 40% | 0.401 | C | S | . | . | trans | -94.1 | 160.7 | -173.5 | 46.7 | 0 | 0 | 0 | 0 | 111.8 | P216 D232 R256 I257 N258 | P216-S826 WeakPolarHBondContact CB-O 3.46Å; D232-S826 PolarHBondContact OD1-N 3.37Å; D232-S826 PolarHBondContact OD1-OG 2.78Å; R256-S826 WeakPolarHBondContact CB-OG 3.45Å; R256-S826 WeakPolarHBondContact CD-OG 3.48Å; R256-S826 VanDerWaalsContact CG-OG 3.23Å; R256-S826 WeakPolarHBondContact CG-OG 3.29Å; I257-S826 VanDerWaalsContact C-OG 3.22Å; I257-S826 PolarHBondContact O-OG 3.41Å; N258-S826 WeakPolarHBondContact OD1-CB 3.48Å | ||
| 827 | S | 25.6 | Very low | 25.2 | Very low | 63 Ų | 63 | 69 Ų | 69 | 44% | 0.441 | 38% | 0.384 | S | S | . | . | trans | -172 | 89.6 | 166.2 | 57.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 828 | G | 25 | Very low | 25.2 | Very low | 4 Ų | 4 | 61.5 Ų | 61.5 | 4% | 0.041 | 35% | 0.351 | C | S | . | . | trans | -72.8 | -173.5 | 158.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | N258 D259 Q299 | N258-G828 WeakPolarHBondContact O-CA 3.24Å; N258-G828 PolarHBondContact O-N 3.48Å; D259-G828 VanDerWaalsContact CG-C 3.42Å; D259-G828 VanDerWaalsContact CG-CA 3.47Å; D259-G828 VanDerWaalsContact OD1-C 3.23Å; D259-G828 VanDerWaalsContact OD2-C 3.3Å; D259-G828 VanDerWaalsContact OD2-CA 3.3Å; D259-G828 WeakPolarHBondContact OD2-CA 3.22Å; Q299-G828 VanDerWaalsContact O-CA 3.23Å; Q299-G828 WeakPolarHBondContact O-CA 3.28Å | ||
| 829 | S | 27.7 | Very low | 25.3 | Very low | 79 Ų | 79 | 59 Ų | 59 | 55% | 0.552 | 33% | 0.33 | S | S | * | . | trans | -153.3 | 68 | 178.7 | -65.2 | 0 | 0 | 0 | 0 | 111.4 | D259 L831 | D259-S829 WeakPolarHBondContact OD1-CA 3.46Å; D259-S829 PolarHBondContact OD1-N 3.23Å; D259-S829 PolarHBondContact OD2-N 2.84Å; S829-L831 PolarHBondContact O-N 2.98Å; S829-L831 VanDerWaalsContact O-N 3.07Å | ||
| 830 | S | 25.7 | Very low | 25.4 | Very low | 8 Ų | 8 | 54 Ų | 54 | 6% | 0.056 | 30% | 0.304 | C | S | . | . | trans | -71.4 | 87.9 | 173.9 | -74.9 | 0 | 0 | 0 | 0 | 110.5 | D259 V260 V301 | D259-S830 WeakPolarHBondContact CB-OG 3.47Å; D259-S830 VanDerWaalsContact CG-CB 3.48Å; D259-S830 WeakPolarHBondContact OD1-CB 3.46Å; D259-S830 PolarHBondContact OD1-N 2.84Å; D259-S830 PolarHBondContact OD1-OG 2.93Å; D259-S830 PolarHBondContact OD2-N 3.23Å; D259-S830 PolarHBondContact OD2-OG 3.11Å; V260-S830 VanDerWaalsContact C-CB 3.43Å; V260-S830 WeakPolarHBondContact O-CB 3.24Å; V301-S830 WeakPolarHBondContact CG1-OG 3.3Å; V301-S830 WeakPolarHBondContact O-CB 3.42Å; V301-S830 PolarHBondContact O-OG 2.88Å | ||
| 831 | L | 26.7 | Very low | 25.4 | Very low | 61 Ų | 61 | 52.9 Ų | 52.9 | 32% | 0.319 | 30% | 0.3 | S | S | . | . | trans | -130.4 | 88.4 | 155.3 | -86.4 | -164.7 | 0 | 0 | 0 | 111.1 | L550 S829 | L550-L831 HydrophobicContact CD1-CD1 3.66Å; L550-L831 HydrophobicContact CD1-CD2 4.15Å; L550-L831 HydrophobicContact CD1-CG 4.05Å; L550-L831 HydrophobicContact CD2-CD1 3.34Å; L550-L831 HydrophobicContact CD2-CG 4.35Å; L550-L831 HydrophobicContact CG-CD1 4.12Å; S829-L831 PolarHBondContact O-N 2.98Å; S829-L831 VanDerWaalsContact O-N 3.07Å | ||
| 832 | L | 24.1 | Very low | 25.4 | Very low | 46 Ų | 46 | 50.7 Ų | 50.7 | 24% | 0.241 | 29% | 0.29 | C | S | . | . | trans | -121.5 | 80.2 | 150.5 | -69.1 | 169.6 | 0 | 0 | 0 | 106.2 | C302 C358 | C302-L832 HydrophobicContact CB-CB 3.99Å; C302-L832 HydrophobicContact CB-CD1 3.52Å; C302-L832 HydrophobicContact CB-CG 4.14Å; C358-L832 HydrophobicContact CB-CD1 3.97Å; C358-L832 VanDerWaalsContact SG-CD1 3.5Å; C358-L832 VanDerWaalsContact SG-CD2 3.6Å | ||
| 833 | S | 25.6 | Very low | 25.4 | Very low | 36 Ų | 36 | 52.5 Ų | 52.5 | 25% | 0.252 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -132.7 | 155 | 167.3 | 175 | 0 | 0 | 0 | 0 | 106.2 | T835 | S833-T835 VanDerWaalsContact C-N 3.32Å; S833-T835 PolarHBondContact O-N 2.87Å |
| 834 | L | 25.3 | Very low | 25.4 | Very low | 64 Ų | 64 | 54.8 Ų | 54.8 | 34% | 0.335 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -69.6 | 69 | -156.9 | -72.2 | 161 | 0 | 0 | 0 | 115.5 | Q264 N703 V707 | Q264-L834 HydrophobicContact CB-CD1 4.08Å; N703-L834 HydrophobicContact CB-CD1 3.92Å; V707-L834 HydrophobicContact CG2-CD2 3.98Å |
| 835 | T | 26.9 | Very low | 25.5 | Very low | 52 Ų | 52 | 55.2 Ų | 55.2 | 32% | 0.319 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -168.3 | 88.9 | 153.4 | 8.6 | 0 | 0 | 0 | 0 | 111.7 | P505 S833 V837 | P505-T835 HydrophobicContact CB-CG2 3.92Å; S833-T835 VanDerWaalsContact C-N 3.32Å; S833-T835 PolarHBondContact O-N 2.87Å; T835-V837 VanDerWaalsContact C-N 3.33Å; T835-V837 WeakPolarHBondContact O-CB 3.1Å; T835-V837 WeakPolarHBondContact O-CG2 3.4Å; T835-V837 PolarHBondContact O-N 2.98Å |
| 836 | S | 24.6 | Very low | 25.5 | Very low | 30 Ų | 30 | 61.5 Ų | 61.5 | 21% | 0.21 | 31% | 0.312 | C | S | . | . | trans | 42.9 | 33.9 | 130.3 | 58 | 0 | 0 | 0 | 0 | 121.4 | N404 | N404-S836 PolarHBondContact ND2-O 2.91Å; N404-S836 WeakPolarHBondContact OD1-CA 3.39Å; N404-S836 WeakPolarHBondContact OD1-CB 3.43Å; N404-S836 PolarHBondContact OD1-O 3Å; N404-S836 VanDerWaalsContact OD1-O 3.09Å | ||
| 837 | V | 26.8 | Very low | 25.5 | Very low | 28 Ų | 28 | 71 Ų | 71 | 17% | 0.17 | 35% | 0.347 | C | S | . | . | trans | -136.4 | 101.3 | -166.6 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | V502 P503 P505 T835 | V502-V837 HydrophobicContact CB-CG1 4.29Å; V502-V837 HydrophobicContact CG1-CG1 4.05Å; V502-V837 HydrophobicContact CG2-CG1 3.69Å; P503-V837 HydrophobicContact CG-CB 4.09Å; P503-V837 HydrophobicContact CG-CG1 3.93Å; P503-V837 HydrophobicContact CG-CG2 4.05Å; P503-V837 WeakPolarHBondContact O-CG2 3.38Å; P505-V837 HydrophobicContact CB-CG2 4.36Å; T835-V837 VanDerWaalsContact C-N 3.33Å; T835-V837 WeakPolarHBondContact O-CB 3.1Å; T835-V837 WeakPolarHBondContact O-CG2 3.4Å; T835-V837 PolarHBondContact O-N 2.98Å | ||
| 838 | T | 26 | Very low | 25.5 | Very low | 17 Ų | 17 | 70.4 Ų | 70.4 | 10% | 0.104 | 35% | 0.351 | C | S | . | . | trans | -91.7 | 141 | -170.9 | 43.9 | 0 | 0 | 0 | 0 | 113.7 | A401 I461 W462 | A401-T838 HydrophobicContact CB-CG2 3.78Å; I461-T838 WeakPolarHBondContact CG2-O 3.01Å; W462-T838 PolarHBondContact N-OG1 3.4Å | ||
| 839 | R | 26.1 | Very low | 25.6 | Very low | 48 Ų | 48 | 76.8 Ų | 76.8 | 18% | 0.181 | 38% | 0.38 | C | S | . | . | trans | -147.6 | 142.5 | 171.9 | -91.6 | -163.9 | 160.2 | 157.4 | -12.2 | 113.2 | F459 N500 V501 V502 H514 A549 | F459-R839 HydrophobicContact CE1-CG 4.24Å; F459-R839 VanDerWaalsContact CZ-CA 3.42Å; N500-R839 VanDerWaalsContact C-NH2 3.26Å; N500-R839 VanDerWaalsContact CG-NE 3.25Å; N500-R839 PolarHBondContact O-NH2 2.98Å; N500-R839 VanDerWaalsContact OD1-CD 3.22Å; N500-R839 WeakPolarHBondContact OD1-CD 3.48Å; N500-R839 WeakPolarHBondContact OD1-CG 3.48Å; N500-R839 PolarHBondContact OD1-NE 2.8Å; N500-R839 VanDerWaalsContact OD1-NE 3.16Å; V501-R839 WeakPolarHBondContact O-CG 3.49Å; V501-R839 PolarHBondContact O-NE 3.28Å; V502-R839 VanDerWaalsContact CG2-CD 3.5Å; V502-R839 HydrophobicContact CG2-CG 3.87Å; V502-R839 VanDerWaalsContact CG2-NH1 3.31Å; H514-R839 PolarHBondContact CD2-NH2 2.76Å; H514-R839 VanDerWaalsContact NE2-CZ 3.27Å; H514-R839 PolarHBondContact NE2-NH1 3.19Å; H514-R839 PolarHBondContact NE2-NH2 3.35Å; H514-R839 VanDerWaalsContact NE2-NH2 3.1Å; A549-R839 PolarHBondContact O-NH1 3.2Å | ||
| 840 | A | 26.2 | Very low | 25.5 | Very low | 9 Ų | 9 | 76 Ų | 76 | 7% | 0.074 | 37% | 0.374 | C | S | . | . | trans | -152 | 157.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | C399 F459 | C399-A840 HydrophobicContact CB-CB 3.85Å; C399-A840 VanDerWaalsContact SG-CB 3.58Å; F459-A840 HydrophobicContact CD2-CB 4Å; F459-A840 VanDerWaalsContact CD2-O 3.32Å; F459-A840 WeakPolarHBondContact CD2-O 3.02Å; F459-A840 HydrophobicContact CE2-CB 3.6Å; F459-A840 WeakPolarHBondContact CG-O 3.34Å; F459-A840 HydrophobicContact CZ-CB 4.43Å | ||
| 841 | A | 25 | Very low | 25.7 | Very low | 46 Ų | 46 | 81.5 Ų | 81.5 | 38% | 0.38 | 40% | 0.402 | S | S | . | . | trans | -88.8 | 147.8 | -165.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q353 Q398 | Q353-A841 PolarHBondContact NE2-O 3.05Å; Q398-A841 PolarHBondContact NE2-O 2.83Å | ||
| 842 | N | 26 | Very low | 25.9 | Very low | 37 Ų | 37 | 81 Ų | 81 | 20% | 0.198 | 40% | 0.402 | C | S | . | . | trans | -132.8 | 87 | 166.5 | -161.3 | -23 | 0 | 0 | 0 | 114 | Q398 R458 R844 | Q398-N842 PolarHBondContact NE2-OD1 3.15Å; R458-N842 VanDerWaalsContact CA-ND2 3.28Å; R458-N842 WeakPolarHBondContact CA-ND2 3.3Å; R458-N842 WeakPolarHBondContact CB-ND2 3.45Å; R458-N842 PolarHBondContact O-ND2 3.16Å; N842-R844 PolarHBondContact O-N 3.33Å | ||
| 843 | R | 24.6 | Very low | 26.2 | Very low | 173 Ų | 173 | 85.7 Ų | 85.7 | 65% | 0.653 | 43% | 0.428 | S | S | * | . | trans | -78.6 | 106 | 161 | -78.7 | -175.3 | 172.1 | -178.3 | -1.2 | 109.8 | R845 | R843-R845 PolarHBondContact O-N 3.17Š| ||
| 844 | R | 25.1 | Very low | 26.6 | Very low | 175 Ų | 175 | 88.9 Ų | 88.9 | 66% | 0.66 | 45% | 0.447 | S | S | * | . | trans | -71.4 | 93.2 | -179.1 | -169.7 | 178.2 | -174.8 | 177.1 | -0.7 | 111.9 | N842 | N842-R844 PolarHBondContact O-N 3.33Š| ||
| 845 | R | 24.7 | Very low | 26.7 | Very low | 126 Ų | 126 | 96.8 Ų | 96.8 | 48% | 0.475 | 47% | 0.473 | S | S | . | . | trans | -65.1 | 141.8 | 171.2 | -80.9 | -179.2 | 163.2 | 158.8 | -1.1 | 112.4 | S351 R843 | S351-R845 VanDerWaalsContact CB-NH2 3.32Å; S351-R845 PolarHBondContact O-NH1 2.94Å; S351-R845 PolarHBondContact O-NH2 2.88Å; S351-R845 PolarHBondContact OG-NH2 3.36Å; R843-R845 PolarHBondContact O-N 3.17Å | ||
| 846 | Q | 24.5 | Very low | 26.7 | Very low | 187 Ų | 187 | 104.1 Ų | 104.1 | 87% | 0.874 | 50% | 0.495 | S | S | * | . | trans | -119.6 | 136.9 | 149.6 | -76.5 | -176.3 | -34.7 | 0 | 0 | 109.1 | ||||
| 847 | R | 23.8 | Very low | 26.8 | Very low | 201 Ų | 201 | 112.1 Ų | 112.1 | 76% | 0.758 | 52% | 0.52 | S | S | * | . | trans | -130.4 | 147.9 | 165.9 | -70.3 | 177 | 168.7 | 175.6 | -5.5 | 105.2 | ||||
| 848 | G | 25.4 | Very low | 26.8 | Very low | 51 Ų | 51 | 117.8 Ų | 117.8 | 53% | 0.526 | 55% | 0.545 | S | S | . | . | cis | 169 | 157.3 | -8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 849 | H | 27.1 | Very low | 26.9 | Very low | 139 Ų | 139 | 124.7 Ų | 124.7 | 64% | 0.644 | 58% | 0.576 | S | S | * | * | trans | 69.8 | 172.7 | 168.3 | -30.8 | -66.3 | 0 | 0 | 0 | 114.6 | I816 | I816-H849 VanDerWaalsContact CG1-ND1 3.33Å; I816-H849 WeakPolarHBondContact CG1-ND1 3.21Å | ||
| 850 | S | 24.8 | Very low | 27 | Very low | 61 Ų | 61 | 128.3 Ų | 128.3 | 43% | 0.427 | 60% | 0.603 | S | S | . | * | cis | -157 | 177.1 | 4.6 | 2.4 | 0 | 0 | 0 | 0 | 112.8 | S813 M815 | S813-S850 VanDerWaalsContact O-CB 3.27Å; S813-S850 WeakPolarHBondContact O-CB 3.5Å; M815-S850 VanDerWaalsContact O-CA 3.28Å; M815-S850 WeakPolarHBondContact O-CA 3.29Å | ||
| 851 | I | 29.6 | Very low | 27.1 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 64% | 0.641 | 63% | 0.626 | S | S | * | * | trans | -150.9 | 127.2 | -173.9 | -56.7 | 167.1 | 0 | 0 | 0 | 108.9 | S813 S814 M815 | S813-I851 CarbonylContact O-C 3.59Å; S813-I851 PolarHBondContact O-N 2.76Å; S814-I851 CarbonylContact C-O 3.57Å; M815-I851 PolarHBondContact N-O 3.03Å; M815-I851 PolarHBondContact O-N 3.39Å | ||
| 852 | P | 31.4 | Very low | 27.4 | Very low | 49 Ų | 49 | 136.2 Ų | 136.2 | 32% | 0.318 | 65% | 0.647 | S | S | . | * | -163.9 | 142.5 | 83.4 | 40.3 | -17.7 | 0 | 0 | 0 | 121.9 | L812 S813 | L812-P852 WeakPolarHBondContact CD1-O 2.98Å; S813-P852 WeakPolarHBondContact O-CD 2.74Å | |||
| 853 | N | 31.1 | Very low | 27.5 | Very low | 146 Ų | 146 | 138.3 Ų | 138.3 | 78% | 0.781 | 67% | 0.669 | S | S | * | * | 34.6 | 156.1 | 129.4 | -100.8 | -25.6 | 0 | 0 | 0 | 124.7 | |||||
| 854 | P | 33.9 | Very low | 27.7 | Very low | 103 Ų | 103 | 141.4 Ų | 141.4 | 67% | 0.669 | 68% | 0.681 | S | S | * | * | cis | -148.6 | 171.3 | 11.4 | 42.6 | -21.6 | 0 | 0 | 0 | 121.5 | ||||
| 855 | R | 27.6 | Very low | 28 | Very low | 229 Ų | 229 | 144 Ų | 144 | 86% | 0.864 | 69% | 0.691 | S | S | * | * | trans | 83.3 | 133.4 | 142.9 | -86.6 | 170.6 | -179.9 | -173.2 | 2.1 | 124.1 | ||||
| 856 | R | 26.5 | Very low | 28.1 | Very low | 207 Ų | 207 | 149.6 Ų | 149.6 | 78% | 0.781 | 71% | 0.712 | S | S | * | * | trans | 77.4 | 121.3 | 151.5 | -81.8 | -173.5 | 173.4 | -170.1 | -0.4 | 117.7 | ||||
| 857 | R | 26.4 | Very low | 28.3 | Very low | 198 Ų | 198 | 152.5 Ų | 152.5 | 75% | 0.747 | 72% | 0.715 | S | S | * | * | 67.9 | 127.4 | 93 | -76 | -173.1 | -179.7 | -169.8 | -0.8 | 111.9 | |||||
| 858 | Q | 28.2 | Very low | 28.5 | Very low | 147 Ų | 147 | 149.1 Ų | 149.1 | 69% | 0.687 | 72% | 0.719 | S | S | * | * | cis | -144 | 161.7 | 28.2 | -105.4 | 145.4 | -79.4 | 0 | 0 | 111.3 | ||||
| 859 | Q | 27.5 | Very low | 28.7 | Very low | 161 Ų | 161 | 151.1 Ų | 151.1 | 75% | 0.752 | 73% | 0.731 | S | S | * | * | 56.6 | 130.5 | 82.3 | -125.3 | 175.8 | 17.6 | 0 | 0 | 111.7 | |||||
| 860 | V | 28.4 | Very low | 28.5 | Very low | 125 Ų | 125 | 149.8 Ų | 149.8 | 76% | 0.758 | 73% | 0.734 | S | S | * | * | -157.1 | 154.4 | 51.7 | 169.5 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 861 | A | 28.8 | Very low | 28.5 | Very low | 67 Ų | 67 | 155.3 Ų | 155.3 | 55% | 0.554 | 76% | 0.759 | S | S | * | * | trans | 13.9 | 146.8 | 158 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 862 | N | 30.3 | Very low | 28.5 | Very low | 154 Ų | 154 | 155.3 Ų | 155.3 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | cis | -149.8 | 135.3 | 47.3 | -73.9 | -79.6 | 0 | 0 | 0 | 111.9 | ||||
| 863 | A | 27 | Very low | 28.3 | Very low | 80 Ų | 80 | 163.9 Ų | 163.9 | 66% | 0.661 | 79% | 0.791 | S | S | * | * | cis | 90.3 | 94.5 | 39.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 864 | R | 30.6 | Very low | 28 | Very low | 239 Ų | 239 | 168.8 Ų | 168.8 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | -164.5 | 114 | 146.7 | -107.7 | 159.3 | -164.2 | -152.1 | 3.7 | 114.4 | ||||
| 865 | R | 30 | Very low | 27.6 | Very low | 228 Ų | 228 | 174.9 Ų | 174.9 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | 44.1 | 107.7 | 143.2 | -61.8 | 177.5 | 178.2 | -176.5 | -2.2 | 118.8 | ||||
| 866 | R | 27.8 | Very low | 27.6 | Very low | 244 Ų | 244 | 170 Ų | 170 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | 81.9 | 99.2 | 75.2 | -83.9 | -171.8 | 172.9 | -169.2 | -1.4 | 115.8 | |||||
| 867 | R | 28.9 | Very low | 27.5 | Very low | 248 Ų | 248 | 171.3 Ų | 171.3 | 94% | 0.936 | 81% | 0.809 | S | S | * | * | -174.8 | 151.8 | 128.1 | -102.4 | 171.9 | 180 | -172.7 | -0.9 | 109.5 | |||||
| 868 | P | 28 | Very low | 27.6 | Very low | 131 Ų | 131 | 168.1 Ų | 168.1 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | trans | -81.9 | 151.9 | -178.2 | 33.4 | -34.5 | 0 | 0 | 0 | 112.4 | ||||
| 869 | A | 28.5 | Very low | 27.4 | Very low | 93 Ų | 93 | 164.7 Ų | 164.7 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -125.3 | 147.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 870 | P | 24.3 | Very low | 27.3 | Very low | 111 Ų | 111 | 163.3 Ų | 163.3 | 72% | 0.721 | 82% | 0.815 | S | S | * | * | trans | -82.2 | 171 | -168.1 | 33.7 | -37.6 | 0 | 0 | 0 | 114.2 | T872 | P870-T872 PolarHBondContact O-N 2.82Š| ||
| 871 | N | 24.4 | Very low | 27.3 | Very low | 176 Ų | 176 | 161.8 Ų | 161.8 | 94% | 0.941 | 81% | 0.81 | S | S | * | * | trans | -58.4 | 96.3 | 170 | -77.7 | -29.4 | 0 | 0 | 0 | 111.9 | ||||
| 872 | T | 29.1 | Very low | 27.3 | Very low | 125 Ų | 125 | 165 Ų | 165 | 77% | 0.767 | 82% | 0.823 | S | S | * | * | trans | -96.3 | 117.7 | 169.1 | 55 | 0 | 0 | 0 | 0 | 110.6 | P870 | P870-T872 PolarHBondContact O-N 2.82Š| ||
| 873 | R | 27 | Very low | 27.3 | Very low | 229 Ų | 229 | 163.4 Ų | 163.4 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | trans | -51.2 | 146.2 | 172.6 | -68.7 | 176.9 | 174.9 | 171.7 | -2.1 | 110.7 | R875 | R873-R875 VanDerWaalsContact C-N 3.31Å; R873-R875 PolarHBondContact O-N 3.4Å | ||
| 874 | R | 24.8 | Very low | 27.5 | Very low | 250 Ų | 250 | 165.9 Ų | 165.9 | 94% | 0.943 | 83% | 0.834 | S | S | * | * | trans | -64.6 | 89 | 170.2 | -119.4 | -177.8 | 177.2 | -175.8 | -2.7 | 109.1 | V876 | R874-V876 PolarHBondContact O-N 2.76Š| ||
| 875 | R | 26.4 | Very low | 27.8 | Very low | 231 Ų | 231 | 156.9 Ų | 156.9 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | trans | -62.3 | 105.7 | 167.9 | -104.3 | -177.6 | 169.2 | 172.2 | -4.2 | 107.9 | R873 R877 | R873-R875 VanDerWaalsContact C-N 3.31Å; R873-R875 PolarHBondContact O-N 3.4Å; R875-R877 PolarHBondContact O-N 3.23Å | ||
| 876 | V | 27.3 | Very low | 27.9 | Very low | 127 Ų | 127 | 151.7 Ų | 151.7 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | trans | -61.2 | 122.4 | 159 | 177.8 | 0 | 0 | 0 | 0 | 106.1 | R874 V878 | R874-V876 PolarHBondContact O-N 2.76Å; V876-V878 PolarHBondContact O-N 2.85Å; V876-V878 VanDerWaalsContact O-N 3.1Å | ||
| 877 | R | 24.1 | Very low | 28.2 | Very low | 234 Ų | 234 | 144.2 Ų | 144.2 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | -72.2 | 103 | 170.4 | -79.9 | -178.6 | 171.3 | 168.4 | -4.1 | 107.3 | R875 A879 | R875-R877 PolarHBondContact O-N 3.23Å; R877-A879 PolarHBondContact O-N 3.07Å | ||
| 878 | V | 28 | Very low | 28.5 | Very low | 131 Ų | 131 | 137 Ų | 137 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | -64.4 | 101 | 163.8 | -179.8 | 0 | 0 | 0 | 0 | 106.7 | V876 | V876-V878 PolarHBondContact O-N 2.85Å; V876-V878 VanDerWaalsContact O-N 3.1Å | ||
| 879 | A | 25.1 | Very low | 29 | Very low | 75 Ų | 75 | 132.7 Ų | 132.7 | 62% | 0.62 | 75% | 0.75 | S | S | * | * | trans | -75.1 | 129.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | R877 S881 | R877-A879 PolarHBondContact O-N 3.07Å; A879-S881 VanDerWaalsContact C-N 3.31Å; A879-S881 PolarHBondContact O-N 2.67Å | ||
| 880 | S | 24.6 | Very low | 29.5 | Very low | 131 Ų | 131 | 129.3 Ų | 129.3 | 92% | 0.916 | 72% | 0.719 | S | S | * | * | trans | -74.8 | 81 | -178.7 | 55.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 881 | S | 28.6 | Very low | 30.4 | Very low | 93 Ų | 93 | 125.6 Ų | 125.6 | 65% | 0.65 | 70% | 0.696 | S | S | * | * | trans | -136 | 102 | 172.4 | 58.6 | 0 | 0 | 0 | 0 | 110.2 | A879 P883 | A879-S881 VanDerWaalsContact C-N 3.31Å; A879-S881 PolarHBondContact O-N 2.67Å; S881-P883 WeakPolarHBondContact O-CD 3.46Å | ||
| 882 | T | 27.8 | Very low | 31.7 | Very low | 135 Ų | 135 | 119.2 Ų | 119.2 | 83% | 0.828 | 66% | 0.662 | S | S | * | * | trans | -58.4 | 119.5 | 177.4 | 45.5 | 0 | 0 | 0 | 0 | 111.4 | S884 | T882-S884 PolarHBondContact O-N 3.17Š| ||
| 883 | P | 30.5 | Very low | 32.9 | Very low | 121 Ų | 121 | 120.7 Ų | 120.7 | 79% | 0.786 | 65% | 0.654 | S | S | * | * | trans | -79.1 | 100.9 | -179.2 | 30.9 | -33 | 0 | 0 | 0 | 110.9 | S881 G885 | S881-P883 WeakPolarHBondContact O-CD 3.46Å; P883-G885 PolarHBondContact O-N 3.08Å | ||
| 884 | S | 30.8 | Very low | 34.6 | Very low | 132 Ų | 132 | 112.6 Ų | 112.6 | 92% | 0.923 | 63% | 0.625 | S | S | * | * | trans | -80.7 | 58.3 | 178.9 | 67 | 0 | 0 | 0 | 0 | 112.6 | T882 | T882-S884 PolarHBondContact O-N 3.17Š| ||
| 885 | G | 36.9 | Very low | 36.9 | Very low | 49 Ų | 49 | 103 Ų | 103 | 51% | 0.505 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -158.5 | 155.1 | -180 | 0 | 0 | 0 | 0 | 0 | 112.2 | P883 | P883-G885 PolarHBondContact O-N 3.08Š|
| 886 | P | 33.9 | Very low | 39.7 | Very low | 120 Ų | 120 | 93 Ų | 93 | 78% | 0.779 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 147.8 | -175 | 26.9 | -35.1 | 0 | 0 | 0 | 112 | T888 | P886-T888 PolarHBondContact O-N 2.81Š|
| 887 | P | 33.8 | Very low | 42.5 | Very low | 86 Ų | 86 | 89.1 Ų | 89.1 | 56% | 0.558 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 129.3 | -178 | 23 | -33.5 | 0 | 0 | 0 | 111.6 | P1138 | P887-P1138 HydrophobicContact CB-CG 3.77Š|
| 888 | T | 35.3 | Very low | 45.3 | Very low | 98 Ų | 98 | 83.6 Ų | 83.6 | 60% | 0.601 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -78.5 | 124.3 | 174.3 | 52 | 0 | 0 | 0 | 0 | 109.8 | P886 | P886-T888 PolarHBondContact O-N 2.81Š|
| 889 | P | 37.1 | Very low | 48.2 | Very low | 39 Ų | 39 | 78.2 Ų | 78.2 | 25% | 0.253 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 143.2 | -173.8 | -30.5 | 36.8 | 0 | 0 | 0 | 114.6 | N537 S891 | N537-P889 WeakPolarHBondContact O-CD 3.19Å; N537-P889 WeakPolarHBondContact O-CG 3.42Å; P889-S891 WeakPolarHBondContact O-CB 3.07Å; P889-S891 PolarHBondContact O-N 2.96Å |
| 890 | V | 39.6 | Very low | 51.3 | Low | 22 Ų | 22 | 74.6 Ų | 74.6 | 13% | 0.133 | 46% | 0.455 | C | S | . | . | trans | -84.5 | 63.4 | -177.4 | -157.7 | 0 | 0 | 0 | 0 | 112.5 | D892 I1134 P1138 A1141 | V890-D892 PolarHBondContact O-N 2.86Å; V890-I1134 HydrophobicContact CB-CG2 3.81Å; V890-I1134 HydrophobicContact CG1-CG2 4.26Å; V890-I1134 HydrophobicContact CG2-CG2 3.65Å; V890-P1138 HydrophobicContact CG2-CB 3.31Å; V890-P1138 WeakPolarHBondContact CG2-O 3.35Å; V890-A1141 HydrophobicContact CG1-CB 4.35Å | ||
| 891 | S | 44 | Very low | 54.4 | Low | 33 Ų | 33 | 71.2 Ų | 71.2 | 23% | 0.231 | 43% | 0.428 | C | S | . | . | 39 | 82.4 | 110.9 | -152.9 | 0 | 0 | 0 | 0 | 113.3 | G540 R542 P889 R893 H894 | G540-S891 WeakPolarHBondContact O-CA 3.24Å; G540-S891 PolarHBondContact O-N 3.49Å; R542-S891 WeakPolarHBondContact CG-OG 3.46Å; R542-S891 VanDerWaalsContact CZ-OG 3.3Å; R542-S891 VanDerWaalsContact NE-C 3.26Å; R542-S891 PolarHBondContact NE-O 2.91Å; R542-S891 PolarHBondContact NE-OG 3.48Å; R542-S891 PolarHBondContact NH2-O 3.5Å; R542-S891 PolarHBondContact NH2-OG 2.71Å; P889-S891 WeakPolarHBondContact O-CB 3.07Å; P889-S891 PolarHBondContact O-N 2.96Å; S891-R893 PolarHBondContact O-N 2.98Å; S891-H894 PolarHBondContact O-N 3.3Å | |||
| 892 | D | 52 | Low | 57.2 | Low | 43 Ų | 43 | 67.3 Ų | 67.3 | 23% | 0.23 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -43.7 | -36.8 | -164.1 | -45.5 | -55 | 0 | 0 | 0 | 119.2 | A541 R542 V890 H894 N895 Y1483 | A541-D892 WeakPolarHBondContact CA-OD2 3.13Å; R542-D892 HydrophobicContact CB-CB 4.33Å; R542-D892 PolarHBondContact N-OD2 2.85Å; V890-D892 PolarHBondContact O-N 2.86Å; D892-H894 PolarHBondContact O-N 2.86Å; D892-H894 VanDerWaalsContact O-N 3.07Å; D892-N895 VanDerWaalsContact O-CB 3.25Å; D892-N895 WeakPolarHBondContact O-CB 3.42Å; D892-N895 PolarHBondContact O-N 2.51Å; D892-Y1483 HydrophobicContact CB-CD2 4.5Å; D892-Y1483 HydrophobicContact CB-CE2 3.65Å; D892-Y1483 PolarHBondContact O-OH 3.49Å |
| 893 | R | 53.6 | Low | 60.2 | Low | 155 Ų | 155 | 63.1 Ų | 63.1 | 59% | 0.585 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -66.4 | -12.1 | -174.2 | -66.5 | 179.5 | -170 | -167.6 | 1.9 | 114.5 | S891 E969 | S891-R893 PolarHBondContact O-N 2.98Å; R893-E969 IonicContact NH1-OE2 2.7Å |
| 894 | H | 61.9 | Low | 62.7 | Low | 59 Ų | 59 | 59 Ų | 59 | 27% | 0.273 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -102.9 | -6.5 | 169.2 | -58.6 | 164 | 0 | 0 | 0 | 112.8 | R542 S891 D892 R971 | R542-H894 PolarHBondContact NH1-CD2 3.26Å; R542-H894 PolarHBondContact NH1-NE2 2.65Å; R542-H894 PolarHBondContact NH2-CD2 2.68Å; R542-H894 VanDerWaalsContact NH2-CD2 3.3Å; R542-H894 PolarHBondContact NH2-CE1 3.4Å; R542-H894 PolarHBondContact NH2-ND1 2.65Å; R542-H894 VanDerWaalsContact NH2-ND1 3.13Å; R542-H894 PolarHBondContact NH2-NE2 2.74Å; S891-H894 PolarHBondContact O-N 3.3Å; D892-H894 PolarHBondContact O-N 2.86Å; D892-H894 VanDerWaalsContact O-N 3.07Å; H894-R971 PolarHBondContact O-NH2 3.31Å |
| 895 | N | 74.4 | Confident | 65 | Low | 50 Ų | 50 | 53.8 Ų | 53.8 | 27% | 0.267 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -63.6 | 160.7 | 177.7 | -156.3 | -1.1 | 0 | 0 | 0 | 110.3 | D892 I1134 | D892-N895 VanDerWaalsContact O-CB 3.25Å; D892-N895 WeakPolarHBondContact O-CB 3.42Å; D892-N895 PolarHBondContact O-N 2.51Å; N895-I1134 WeakPolarHBondContact OD1-CD1 3.37Å |
| 896 | F | 85.5 | Confident | 66.8 | Low | 20 Ų | 20 | 54.5 Ų | 54.5 | 9% | 0.088 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -81 | 130 | 177.8 | -52.8 | -76.5 | 0 | 0 | 0 | 109.4 | T901 R971 I1134 Y1140 A1141 I1144 P1147 | F896-T901 HydrophobicContact CB-CG2 3.68Å; F896-R971 VanDerWaalsContact CD1-CZ 3.41Å; F896-R971 VanDerWaalsContact CE1-CZ 3.45Å; F896-I1134 HydrophobicContact CD2-CD1 3.67Å; F896-I1134 HydrophobicContact CE2-CD1 3.85Å; F896-I1134 HydrophobicContact CE2-CG1 4.44Å; F896-Y1140 HydrophobicContact CE2-CD1 4.24Å; F896-Y1140 HydrophobicContact CZ-CD1 4.15Å; F896-Y1140 HydrophobicContact CZ-CE1 4.31Å; F896-A1141 HydrophobicContact CD2-CB 4.39Å; F896-A1141 HydrophobicContact CE2-CB 3.84Å; F896-A1141 HydrophobicContact CZ-CB 4.06Å; F896-I1144 HydrophobicContact CZ-CG2 4.47Å; F896-P1147 HydrophobicContact CB-CG 4.33Å; F896-P1147 HydrophobicContact CD1-CB 4.35Å; F896-P1147 HydrophobicContact CD1-CG 3.68Å; F896-P1147 HydrophobicContact CD2-CB 4.37Å; F896-P1147 HydrophobicContact CD2-CG 4.12Å; F896-P1147 HydrophobicContact CE1-CB 4.1Å; F896-P1147 HydrophobicContact CE1-CG 3.9Å; F896-P1147 HydrophobicContact CE2-CB 4.13Å; F896-P1147 HydrophobicContact CE2-CG 4.32Å; F896-P1147 HydrophobicContact CG-CB 4.48Å; F896-P1147 HydrophobicContact CG-CG 3.79Å; F896-P1147 HydrophobicContact CZ-CB 3.98Å; F896-P1147 HydrophobicContact CZ-CG 4.22Å |
| 897 | S | 84.4 | Confident | 68.8 | Low | 46 Ų | 46 | 49.4 Ų | 49.4 | 32% | 0.322 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 151 | 177.5 | 53.6 | 0 | 0 | 0 | 0 | 111.2 | W899 I900 T901 | S897-W899 VanDerWaalsContact C-N 3.28Å; S897-W899 PolarHBondContact O-N 2.92Å; S897-I900 WeakPolarHBondContact O-CA 3.49Å; S897-I900 WeakPolarHBondContact O-CB 3.49Å; S897-I900 PolarHBondContact O-N 3.39Å; S897-T901 PolarHBondContact O-N 3.1Å; S897-T901 PolarHBondContact O-OG1 3.16Å |
| 898 | E | 84.4 | Confident | 70.7 | Confident | 117 Ų | 117 | 47.7 Ų | 47.7 | 55% | 0.547 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -52.5 | -44.2 | -178.4 | -163.5 | -152.5 | 137.5 | 0 | 0 | 112.1 | I900 T901 C902 R906 | E898-I900 PolarHBondContact O-N 2.82Å; E898-T901 CarbonylContact O-C 3.59Å; E898-T901 PolarHBondContact O-N 2.99Å; E898-T901 VanDerWaalsContact O-N 3.12Å; E898-T901 PolarHBondContact O-OG1 2.98Å; E898-C902 WeakPolarHBondContact O-CA 3.28Å; E898-C902 VanDerWaalsContact O-CB 3.23Å; E898-C902 WeakPolarHBondContact O-CB 3.45Å; E898-C902 PolarHBondContact O-N 2.94Å; E898-R906 IonicContact OE1-CZ 3.54Å; E898-R906 IonicContact OE1-NE 2.75Å; E898-R906 IonicContact OE1-NH2 2.71Å; E898-R906 PolarHBondContact OE1-NH2 2.86Å; E898-R906 IonicContact OE2-NH2 3.41Å |
| 899 | W | 87.7 | Confident | 73 | Confident | 18 Ų | 18 | 44.9 Ų | 44.9 | 7% | 0.068 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -49.6 | -31.9 | 174.4 | 177.3 | 61.8 | 0 | 0 | 0 | 114.5 | S897 P909 F911 C973 F996 D998 | S897-W899 VanDerWaalsContact C-N 3.28Å; S897-W899 PolarHBondContact O-N 2.92Å; W899-P909 HydrophobicContact CG-CG 4.44Å; W899-F911 AromaticContact NE1-CD2 3.85Å; W899-F911 WeakPolarHBondContact O-CD2 3.5Å; W899-F911 WeakPolarHBondContact O-CE2 3.34Å; W899-C973 HydrophobicContact CH2-CB 3.75Å; W899-C973 HydrophobicContact CZ3-CB 4.18Å; W899-F996 HydrophobicContact CH2-CD2 4.26Å; W899-F996 AromaticContact CH2-CE2 3.66Å; W899-F996 HydrophobicContact CH2-CE2 3.66Å; W899-F996 AromaticContact CH2-CZ 3.87Å; W899-F996 HydrophobicContact CH2-CZ 3.87Å; W899-F996 AromaticContact CZ2-CE2 3.69Å; W899-F996 HydrophobicContact CZ2-CE2 3.69Å; W899-F996 AromaticContact CZ2-CZ 3.92Å; W899-F996 HydrophobicContact CZ2-CZ 3.92Å; W899-D998 HydrophobicContact CB-CB 3.89Å; W899-D998 HydrophobicContact CD2-CB 3.52Å; W899-D998 HydrophobicContact CE3-CB 3.66Å; W899-D998 HydrophobicContact CG-CB 3.64Å; W899-D998 HydrophobicContact CZ3-CB 4.35Å |
| 900 | I | 89.9 | Confident | 75.5 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -88.3 | -37.1 | -178 | -77.2 | 173.4 | 0 | 0 | 0 | 112.2 | S897 E898 F965 R971 Y1146 P1147 R1156 | S897-I900 WeakPolarHBondContact O-CA 3.49Å; S897-I900 WeakPolarHBondContact O-CB 3.49Å; S897-I900 PolarHBondContact O-N 3.39Å; E898-I900 PolarHBondContact O-N 2.82Å; I900-F965 HydrophobicContact CD1-CD1 4.14Å; I900-F965 HydrophobicContact CD1-CE1 4.02Å; I900-F965 HydrophobicContact CG1-CE1 4.07Å; I900-R971 HydrophobicContact CD1-CB 4.24Å; I900-R971 VanDerWaalsContact CD1-CD 3.5Å; I900-R971 HydrophobicContact CD1-CG 3.79Å; I900-Y1146 HydrophobicContact CG2-CD2 3.73Å; I900-Y1146 HydrophobicContact CG2-CE2 3.95Å; I900-P1147 HydrophobicContact CG2-CG 4.29Å; I900-R1156 PolarHBondContact O-NH2 2.91Å |
| 901 | T | 90.6 | Very high | 78 | Confident | 60 Ų | 60 | 43 Ų | 43 | 37% | 0.368 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -85.5 | -7.7 | 175.5 | 49.7 | 0 | 0 | 0 | 0 | 113.5 | F896 S897 E898 T903 P1147 | F896-T901 HydrophobicContact CB-CG2 3.68Å; S897-T901 PolarHBondContact O-N 3.1Å; S897-T901 PolarHBondContact O-OG1 3.16Å; E898-T901 CarbonylContact O-C 3.59Å; E898-T901 PolarHBondContact O-N 2.99Å; E898-T901 VanDerWaalsContact O-N 3.12Å; E898-T901 PolarHBondContact O-OG1 2.98Å; T901-T903 PolarHBondContact O-N 3.28Å; T901-P1147 HydrophobicContact CG2-CG 4.08Å |
| 902 | C | 88.2 | Confident | 80.3 | Confident | 10 Ų | 10 | 41.4 Ų | 41.4 | 7% | 0.068 | 21% | 0.208 | C | C | . | . | trans | -53.9 | 129.8 | -173.6 | -169.6 | 0 | 0 | 0 | 0 | 112.1 | E898 S904 R1156 | E898-C902 WeakPolarHBondContact O-CA 3.28Å; E898-C902 VanDerWaalsContact O-CB 3.23Å; E898-C902 WeakPolarHBondContact O-CB 3.45Å; E898-C902 PolarHBondContact O-N 2.94Å; C902-S904 PolarHBondContact SG-O 3Å; C902-S904 PolarHBondContact SG-OG 2.95Å; C902-S904 VanDerWaalsContact SG-OG 3.35Å; C902-R1156 PolarHBondContact O-NE 2.86Å; C902-R1156 PolarHBondContact O-NH2 3.04Å | ||
| 903 | T | 90.2 | Very high | 82.3 | Confident | 47 Ų | 47 | 39.5 Ų | 39.5 | 29% | 0.288 | 20% | 0.197 | S | C | . | . | trans | -105.3 | -14.9 | 176.7 | 53.4 | 0 | 0 | 0 | 0 | 112.8 | T901 T1152 L1155 R1156 S1159 | T901-T903 PolarHBondContact O-N 3.28Å; T903-T1152 HydrophobicContact CG2-CG2 4.26Å; T903-L1155 HydrophobicContact CG2-CB 3.88Å; T903-L1155 HydrophobicContact CG2-CD1 4.24Å; T903-R1156 HydrophobicContact CG2-CG 4.39Å; T903-S1159 VanDerWaalsContact O-CB 3.3Å; T903-S1159 WeakPolarHBondContact O-CB 3.37Å; T903-S1159 PolarHBondContact O-OG 3.04Å | ||
| 904 | S | 82.4 | Confident | 84.1 | Confident | 34 Ų | 34 | 35.7 Ų | 35.7 | 24% | 0.238 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -88.1 | 144.8 | -179.2 | 58.7 | 0 | 0 | 0 | 0 | 112.3 | C902 R906 F1161 | C902-S904 PolarHBondContact SG-O 3Å; C902-S904 PolarHBondContact SG-OG 2.95Å; C902-S904 VanDerWaalsContact SG-OG 3.35Å; S904-R906 VanDerWaalsContact C-N 3.34Å; S904-R906 PolarHBondContact O-N 3.14Å; S904-F1161 WeakPolarHBondContact O-CD2 3.2Å |
| 905 | N | 78.8 | Confident | 85.5 | Confident | 23 Ų | 23 | 34 Ų | 34 | 12% | 0.123 | 18% | 0.184 | C | C | . | . | trans | -75.6 | 84.9 | 176.5 | -173 | -13.2 | 0 | 0 | 0 | 109.9 | P1089 S1159 R1160 | N905-P1089 VanDerWaalsContact O-CB 3.28Å; N905-P1089 WeakPolarHBondContact O-CB 3.26Å; N905-P1089 WeakPolarHBondContact O-CG 3.48Å; N905-S1159 WeakPolarHBondContact CB-O 3.19Å; N905-R1160 PolarHBondContact ND2-O 3.46Å | ||
| 906 | R | 75.9 | Confident | 86.4 | Confident | 65 Ų | 65 | 31.7 Ų | 31.7 | 25% | 0.245 | 17% | 0.171 | C | C | . | . | trans | -84.9 | 138.3 | 172.1 | -62.9 | 176.9 | 175.2 | -93.2 | 9.6 | 110 | E898 S904 D1032 | E898-R906 IonicContact OE1-CZ 3.54Å; E898-R906 IonicContact OE1-NE 2.75Å; E898-R906 IonicContact OE1-NH2 2.71Å; E898-R906 PolarHBondContact OE1-NH2 2.86Å; E898-R906 IonicContact OE2-NH2 3.41Å; S904-R906 VanDerWaalsContact C-N 3.34Å; S904-R906 PolarHBondContact O-N 3.14Å; R906-D1032 IonicContact CZ-OD1 3.78Å; R906-D1032 IonicContact CZ-OD2 3.06Å; R906-D1032 IonicContact NH1-OD1 3.51Å; R906-D1032 PolarHBondContact NH1-OD1 3.32Å; R906-D1032 IonicContact NH1-OD2 3.49Å; R906-D1032 PolarHBondContact NH1-OD2 3.08Å; R906-D1032 IonicContact NH2-OD2 3.81Å; R906-D1032 PolarHBondContact NH2-OD2 3.24Å | ||
| 907 | S | 76 | Confident | 86.8 | Confident | 13 Ų | 13 | 32.3 Ų | 32.3 | 9% | 0.091 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -77.6 | -30.8 | 174.1 | -55.1 | 0 | 0 | 0 | 0 | 113.1 | P1089 M1090 W1091 | S907-P1089 WeakPolarHBondContact OG-CB 3.46Å; S907-M1090 PolarHBondContact OG-N 3Å; S907-W1091 PolarHBondContact OG-N 3.01Å; S907-W1091 PolarHBondContact OG-O 3.37Å |
| 908 | F | 73.8 | Confident | 87.3 | Confident | 49 Ų | 49 | 30.1 Ų | 30.1 | 22% | 0.215 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -141.9 | 145.4 | -179.7 | -57.2 | -83 | 0 | 0 | 0 | 107.8 | D1004 W1072 M1090 W1091 | F908-D1004 HydrophobicContact CD1-CB 4.49Å; F908-D1004 WeakPolarHBondContact CD1-OD2 3.4Å; F908-W1072 WeakPolarHBondContact CZ-O 3.36Å; F908-M1090 HydrophobicContact CD2-CE 3.74Å; F908-M1090 HydrophobicContact CE2-CE 3.57Å; F908-M1090 HydrophobicContact CE2-SD 3.84Å; F908-W1091 AromaticContact CE2-CD1 3.94Å |
| 909 | P | 82.6 | Confident | 87.9 | Confident | 39 Ų | 39 | 24.6 Ų | 24.6 | 25% | 0.253 | 13% | 0.134 | S | C | . | . | S | Bend | cis | -65.4 | 150.8 | -11.8 | 29.4 | -35.7 | 0 | 0 | 0 | 111.9 | W899 F911 D998 D1004 | W899-P909 HydrophobicContact CG-CG 4.44Å; P909-F911 PolarHBondContact O-N 3.02Å; P909-D998 HydrophobicContact CG-CB 4.42Å; P909-D998 WeakPolarHBondContact CG-OD1 3.41Å; P909-D1004 VanDerWaalsContact CA-OD2 3.3Å; P909-D1004 WeakPolarHBondContact CA-OD2 3.46Å |
| 910 | Y | 90 | Very high | 88.2 | Confident | 8 Ų | 8 | 23.7 Ų | 23.7 | 3% | 0.031 | 13% | 0.13 | C | C | . | . | trans | -63.5 | 107.2 | -173.7 | 168.6 | -113.3 | 0 | 0 | 0 | 112.1 | P912 V918 D1004 I1006 L1008 | Y910-P912 HydrophobicContact CE1-CB 3.69Å; Y910-P912 WeakPolarHBondContact O-CD 3.28Å; Y910-V918 HydrophobicContact CE1-CG1 4.41Å; Y910-V918 HydrophobicContact CE2-CG1 4.43Å; Y910-V918 WeakPolarHBondContact OH-CG1 3.23Å; Y910-D1004 PolarHBondContact N-OD1 3.13Å; Y910-D1004 PolarHBondContact N-OD2 2.83Å; Y910-I1006 WeakPolarHBondContact CB-O 3.46Å; Y910-I1006 HydrophobicContact CD1-CB 3.83Å; Y910-I1006 HydrophobicContact CD1-CG2 3.82Å; Y910-I1006 WeakPolarHBondContact CD1-O 3.4Å; Y910-I1006 HydrophobicContact CE1-CB 3.95Å; Y910-I1006 HydrophobicContact CE1-CG2 3.42Å; Y910-I1006 VanDerWaalsContact CE1-CG2 3.42Å; Y910-L1008 HydrophobicContact CD2-CG 4.17Å; Y910-L1008 HydrophobicContact CE2-CD1 4.4Å; Y910-L1008 HydrophobicContact CE2-CD2 3.89Å; Y910-L1008 HydrophobicContact CE2-CG 3.78Å | ||
| 911 | F | 91.5 | Very high | 88.4 | Confident | 14 Ų | 14 | 23.7 Ų | 23.7 | 6% | 0.061 | 13% | 0.13 | C | C | . | . | trans | -83.4 | 116.9 | 168.5 | -167.3 | -80.9 | 0 | 0 | 0 | 110.6 | W899 P909 Q913 F965 Y1146 F1161 R1163 | W899-F911 AromaticContact NE1-CD2 3.85Å; W899-F911 WeakPolarHBondContact O-CD2 3.5Å; W899-F911 WeakPolarHBondContact O-CE2 3.34Å; P909-F911 PolarHBondContact O-N 3.02Å; F911-Q913 HydrophobicContact CD1-CG 4.36Å; F911-F965 HydrophobicContact CZ-CZ 4.18Å; F911-Y1146 HydrophobicContact CE2-CE2 4.33Å; F911-Y1146 AromaticContact CZ-CE2 3.82Å; F911-Y1146 HydrophobicContact CZ-CE2 3.82Å; F911-Y1146 AromaticContact CZ-CZ 3.92Å; F911-Y1146 VanDerWaalsContact CZ-OH 3.27Å; F911-Y1146 WeakPolarHBondContact CZ-OH 3.26Å; F911-F1161 HydrophobicContact CB-CZ 4.32Å; F911-F1161 HydrophobicContact CD1-CE1 4Å; F911-F1161 HydrophobicContact CD1-CE2 4.43Å; F911-F1161 AromaticContact CD1-CZ 3.46Å; F911-F1161 HydrophobicContact CD1-CZ 3.46Å; F911-F1161 VanDerWaalsContact CD1-CZ 3.46Å; F911-F1161 HydrophobicContact CD2-CZ 4.3Å; F911-F1161 HydrophobicContact CE1-CE1 4.18Å; F911-F1161 AromaticContact CE1-CZ 3.88Å; F911-F1161 HydrophobicContact CE1-CZ 3.88Å; F911-F1161 HydrophobicContact CG-CE2 4.34Å; F911-F1161 AromaticContact CG-CZ 3.73Å; F911-F1161 HydrophobicContact CG-CZ 3.73Å; F911-F1161 HydrophobicContact CZ-CZ 4.47Å; F911-R1163 PolarHBondContact O-NH2 2.69Å | ||
| 912 | P | 93.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -81.1 | 140.8 | -174.2 | 30.7 | -34.1 | 0 | 0 | 0 | 114.2 | Y910 V963 L975 F996 | Y910-P912 HydrophobicContact CE1-CB 3.69Å; Y910-P912 WeakPolarHBondContact O-CD 3.28Å; P912-V963 HydrophobicContact CG-CG1 4.29Å; P912-L975 HydrophobicContact CB-CD1 3.79Å; P912-L975 HydrophobicContact CB-CD2 3.65Å; P912-L975 HydrophobicContact CB-CG 4.34Å; P912-L975 HydrophobicContact CG-CD1 4.21Å; P912-L975 HydrophobicContact CG-CD2 3.73Å; P912-L975 HydrophobicContact CG-CG 4.43Å; P912-F996 HydrophobicContact CG-CZ 4.38Å | ||
| 913 | Q | 92.8 | Very high | 88.7 | Confident | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.009 | 11% | 0.114 | C | C | . | . | trans | -127.1 | 144.8 | 174.8 | -61.2 | 172.3 | 12.1 | 0 | 0 | 111.4 | F911 G915 D916 F1161 A1167 | F911-Q913 HydrophobicContact CD1-CG 4.36Å; Q913-G915 PolarHBondContact O-N 3.22Å; Q913-G915 VanDerWaalsContact O-N 3.17Å; Q913-D916 WeakPolarHBondContact CA-OD2 3.2Å; Q913-D916 WeakPolarHBondContact CB-OD2 3.41Å; Q913-D916 PolarHBondContact N-OD2 2.81Å; Q913-D916 WeakPolarHBondContact O-CB 3.41Å; Q913-D916 PolarHBondContact O-N 2.85Å; Q913-D916 VanDerWaalsContact O-N 3.14Å; Q913-F1161 PolarHBondContact NE2-O 3.13Å; Q913-A1167 HydrophobicContact CB-CB 3.86Å; Q913-A1167 HydrophobicContact CG-CB 4.17Å | ||
| 914 | K | 92 | Very high | 88.8 | Confident | 75 Ų | 75 | 19.1 Ų | 19.1 | 33% | 0.326 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 115.1 | -177 | 179 | -159.2 | 169.1 | -156.6 | 0 | 111.1 | V963 R1164 E1166 M1170 | K914-V963 HydrophobicContact CB-CG2 4.35Å; K914-R1164 WeakPolarHBondContact O-CD 3.46Å; K914-E1166 IonicContact NZ-OE2 2.65Å; K914-E1166 PolarHBondContact NZ-OE2 2.95Å; K914-M1170 HydrophobicContact CB-SD 3.76Å |
| 915 | G | 91.4 | Very high | 89.3 | Confident | 25 Ų | 25 | 17.6 Ų | 17.6 | 26% | 0.258 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 105.2 | 0.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q913 E917 V960 R1164 | Q913-G915 PolarHBondContact O-N 3.22Å; Q913-G915 VanDerWaalsContact O-N 3.17Å; G915-E917 PolarHBondContact O-N 2.6Å; G915-V960 WeakPolarHBondContact CA-O 3.25Å; G915-V960 PolarHBondContact N-O 3.11Å; G915-R1164 VanDerWaalsContact O-CZ 3.23Å; G915-R1164 PolarHBondContact O-NH1 3.19Å |
| 916 | D | 93.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | trans | -66.5 | 130.6 | 179.1 | -77.7 | -32.9 | 0 | 0 | 0 | 113 | Q913 V918 I959 V960 L1008 R1163 R1164 | Q913-D916 WeakPolarHBondContact CA-OD2 3.2Å; Q913-D916 WeakPolarHBondContact CB-OD2 3.41Å; Q913-D916 PolarHBondContact N-OD2 2.81Å; Q913-D916 WeakPolarHBondContact O-CB 3.41Å; Q913-D916 PolarHBondContact O-N 2.85Å; Q913-D916 VanDerWaalsContact O-N 3.14Å; D916-V918 HydrophobicContact CB-CG1 4.23Å; D916-I959 CarbonylContact O-C 3.57Å; D916-I959 WeakPolarHBondContact O-CA 3.43Å; D916-V960 HydrophobicContact CB-CB 4.45Å; D916-V960 HydrophobicContact CB-CG2 4.05Å; D916-V960 PolarHBondContact O-N 3.38Å; D916-L1008 HydrophobicContact CB-CD2 3.86Å; D916-R1163 IonicContact OD1-NE 3.3Å; D916-R1163 PolarHBondContact OD1-NE 3.35Å; D916-R1163 IonicContact OD2-CZ 2.82Å; D916-R1163 VanDerWaalsContact OD2-CZ 3.29Å; D916-R1163 IonicContact OD2-NE 2.78Å; D916-R1163 PolarHBondContact OD2-NE 3.41Å; D916-R1163 IonicContact OD2-NH2 3.06Å; D916-R1163 PolarHBondContact OD2-NH2 2.96Å; D916-R1164 IonicContact OD1-CZ 2.73Å; D916-R1164 IonicContact OD1-NE 2.67Å; D916-R1164 PolarHBondContact OD1-NE 3.37Å; D916-R1164 IonicContact OD1-NH2 2.68Å; D916-R1164 PolarHBondContact OD1-NH2 3.37Å | ||
| 917 | E | 93.7 | Very high | 90.7 | Very high | 33 Ų | 33 | 20.9 Ų | 20.9 | 15% | 0.154 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 123 | 163.7 | -77 | 171 | -153.7 | 0 | 0 | 110 | G915 I959 R1009 K1096 | G915-E917 PolarHBondContact O-N 2.6Å; E917-I959 HydrophobicContact CG-CD1 4.1Å; E917-I959 HydrophobicContact CG-CG1 3.73Å; E917-R1009 HydrophobicContact CB-CB 3.94Å; E917-R1009 WeakPolarHBondContact O-CB 3.4Å; E917-R1009 PolarHBondContact O-N 2.96Å; E917-K1096 IonicContact OE1-NZ 2.86Å; E917-K1096 PolarHBondContact OE1-NZ 3.43Å; E917-K1096 IonicContact OE2-NZ 3.99Å; E917-K1096 PolarHBondContact OE2-NZ 3.02Å |
| 918 | V | 95.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.006 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 157.9 | -175.4 | -65.4 | 0 | 0 | 0 | 0 | 112.1 | Y910 D916 A958 V960 L977 I1006 V1007 L1008 | Y910-V918 HydrophobicContact CE1-CG1 4.41Å; Y910-V918 HydrophobicContact CE2-CG1 4.43Å; Y910-V918 WeakPolarHBondContact OH-CG1 3.23Å; D916-V918 HydrophobicContact CB-CG1 4.23Å; V918-A958 HydrophobicContact CG2-CB 4.18Å; V918-A958 PolarHBondContact N-O 2.7Å; V918-A958 PolarHBondContact O-N 2.68Å; V918-V960 HydrophobicContact CG1-CG2 4.19Å; V918-V960 HydrophobicContact CG2-CG2 4.3Å; V918-L977 HydrophobicContact CG2-CD2 4.36Å; V918-I1006 HydrophobicContact CB-CG2 3.67Å; V918-I1006 HydrophobicContact CG1-CG2 3.73Å; V918-I1006 HydrophobicContact CG2-CG2 3.88Å; V918-V1007 CarbonylContact C-O 3.38Å; V918-V1007 VanDerWaalsContact CA-O 3.22Å; V918-V1007 WeakPolarHBondContact CA-O 3.47Å; V918-L1008 HydrophobicContact CG1-CD2 4.39Å |
| 919 | V | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 123.2 | 160.4 | -170.3 | 0 | 0 | 0 | 0 | 107.6 | F921 E955 E956 F957 I1006 V1007 Y1012 | V919-F921 HydrophobicContact CB-CE2 3.95Å; V919-F921 HydrophobicContact CB-CZ 3.99Å; V919-F921 HydrophobicContact CG1-CE1 3.95Å; V919-F921 HydrophobicContact CG1-CE2 3.78Å; V919-F921 HydrophobicContact CG1-CZ 3.45Å; V919-F921 VanDerWaalsContact CG1-CZ 3.45Å; V919-E955 HydrophobicContact CG1-CB 4.25Å; V919-E956 CarbonylContact C-O 3.58Å; V919-E956 WeakPolarHBondContact CA-O 3.35Å; V919-F957 HydrophobicContact CG1-CE2 4.44Å; V919-F957 HydrophobicContact CG1-CZ 4.39Å; V919-F957 HydrophobicContact CG2-CD1 3.82Å; V919-F957 HydrophobicContact CG2-CE1 3.53Å; V919-F957 HydrophobicContact CG2-CG 4.5Å; V919-F957 HydrophobicContact CG2-CZ 3.96Å; V919-I1006 WeakPolarHBondContact O-CA 3.1Å; V919-V1007 PolarHBondContact N-O 3.21Å; V919-V1007 PolarHBondContact O-N 2.86Å; V919-Y1012 HydrophobicContact CB-CD2 4.31Å; V919-Y1012 HydrophobicContact CB-CG 4.44Å; V919-Y1012 HydrophobicContact CG1-CD2 4.37Å; V919-Y1012 HydrophobicContact CG1-CE2 4.23Å; V919-Y1012 HydrophobicContact CG2-CD1 3.85Å; V919-Y1012 HydrophobicContact CG2-CD2 4.03Å; V919-Y1012 HydrophobicContact CG2-CE1 4.27Å; V919-Y1012 HydrophobicContact CG2-CE2 4.42Å; V919-Y1012 HydrophobicContact CG2-CG 3.73Å |
| 920 | Y | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 132.9 | 173.8 | 162.5 | -87.4 | 0 | 0 | 0 | 109.3 | H922 H925 W947 L952 E956 L977 F992 V994 F1005 I1006 | Y920-H922 HydrophobicContact CE1-CB 4.03Å; Y920-H925 HydrophobicContact CE2-CB 3.79Å; Y920-H925 AromaticContact CE2-CG 3.86Å; Y920-H925 AromaticContact CE2-ND1 3.39Å; Y920-H925 WeakPolarHBondContact CE2-ND1 3.17Å; Y920-H925 AromaticContact CZ-ND1 3.56Å; Y920-H925 PolarHBondContact OH-ND1 3.49Å; Y920-W947 WeakPolarHBondContact OH-CZ3 3.3Å; Y920-L952 HydrophobicContact CE1-CD1 4.1Å; Y920-E956 HydrophobicContact CD1-CB 4.06Å; Y920-E956 PolarHBondContact N-O 3.16Å; Y920-E956 PolarHBondContact O-N 3.47Å; Y920-L977 HydrophobicContact CD2-CD1 4.42Å; Y920-F992 HydrophobicContact CD1-CE2 4.02Å; Y920-F992 AromaticContact CD1-CZ 3.87Å; Y920-F992 HydrophobicContact CD1-CZ 3.87Å; Y920-F992 AromaticContact CD2-CE2 3.93Å; Y920-F992 HydrophobicContact CD2-CE2 3.93Å; Y920-F992 HydrophobicContact CD2-CZ 4.26Å; Y920-F992 HydrophobicContact CE1-CE2 4.08Å; Y920-F992 HydrophobicContact CE1-CZ 4.33Å; Y920-F992 AromaticContact CE2-CE2 3.99Å; Y920-F992 HydrophobicContact CE2-CE2 3.99Å; Y920-F992 AromaticContact CG-CE2 3.93Å; Y920-F992 HydrophobicContact CG-CE2 3.93Å; Y920-F992 AromaticContact CG-CZ 3.82Å; Y920-F992 HydrophobicContact CG-CZ 3.82Å; Y920-V994 HydrophobicContact CD2-CG2 4.06Å; Y920-V994 HydrophobicContact CE2-CG2 3.79Å; Y920-F1005 WeakPolarHBondContact CA-O 3.46Å; Y920-F1005 HydrophobicContact CD2-CD2 4.26Å; Y920-F1005 HydrophobicContact CE2-CD2 4.12Å; Y920-F1005 HydrophobicContact CE2-CE2 4.22Å; Y920-I1006 HydrophobicContact CD2-CG1 4.14Å |
| 921 | F | 94.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 114.7 | 179 | -64.2 | -81.2 | 0 | 0 | 0 | 110.8 | V919 Q923 G924 H925 E954 E955 F1005 V1007 Y1012 F1054 W1072 | V919-F921 HydrophobicContact CB-CE2 3.95Å; V919-F921 HydrophobicContact CB-CZ 3.99Å; V919-F921 HydrophobicContact CG1-CE1 3.95Å; V919-F921 HydrophobicContact CG1-CE2 3.78Å; V919-F921 HydrophobicContact CG1-CZ 3.45Å; V919-F921 VanDerWaalsContact CG1-CZ 3.45Å; F921-Q923 PolarHBondContact O-N 3.36Å; F921-G924 PolarHBondContact O-N 2.99Å; F921-H925 PolarHBondContact O-N 3.28Å; F921-E954 WeakPolarHBondContact CA-O 3.37Å; F921-E955 HydrophobicContact CD1-CG 4.17Å; F921-E955 HydrophobicContact CE1-CB 4.29Å; F921-E955 HydrophobicContact CE1-CG 3.79Å; F921-F1005 HydrophobicContact CB-CB 4.48Å; F921-F1005 PolarHBondContact N-O 3.32Å; F921-V1007 HydrophobicContact CD2-CG2 4.15Å; F921-V1007 HydrophobicContact CE2-CB 4.14Å; F921-V1007 HydrophobicContact CE2-CG2 3.74Å; F921-Y1012 HydrophobicContact CE1-CE2 4.22Å; F921-Y1012 AromaticContact CZ-CD2 3.76Å; F921-Y1012 HydrophobicContact CZ-CD2 3.76Å; F921-Y1012 AromaticContact CZ-CE2 3.73Å; F921-Y1012 HydrophobicContact CZ-CE2 3.73Å; F921-F1054 HydrophobicContact CB-CB 4.48Å; F921-F1054 HydrophobicContact CB-CD2 3.8Å; F921-F1054 HydrophobicContact CB-CE2 4.43Å; F921-F1054 HydrophobicContact CB-CG 4.32Å; F921-F1054 HydrophobicContact CD1-CB 3.78Å; F921-F1054 HydrophobicContact CD1-CD2 4.33Å; F921-F1054 HydrophobicContact CD1-CG 4.46Å; F921-F1054 HydrophobicContact CD2-CD2 4.37Å; F921-F1054 HydrophobicContact CE1-CB 4.33Å; F921-F1054 HydrophobicContact CG-CB 4.22Å; F921-F1054 AromaticContact CG-CD2 3.9Å; F921-F1054 HydrophobicContact CG-CD2 3.9Å; F921-F1054 HydrophobicContact CG-CG 4.42Å; F921-W1072 HydrophobicContact CD1-CH2 4.41Å; F921-W1072 HydrophobicContact CD2-CH2 4.4Å; F921-W1072 HydrophobicContact CD2-CZ2 4.15Å; F921-W1072 AromaticContact CE1-CH2 3.6Å; F921-W1072 HydrophobicContact CE1-CH2 3.6Å; F921-W1072 HydrophobicContact CE1-CZ2 4.27Å; F921-W1072 HydrophobicContact CE1-CZ3 4.37Å; F921-W1072 AromaticContact CE2-CH2 3.61Å; F921-W1072 HydrophobicContact CE2-CH2 3.61Å; F921-W1072 AromaticContact CE2-CZ2 3.58Å; F921-W1072 HydrophobicContact CE2-CZ2 3.58Å; F921-W1072 HydrophobicContact CE2-CZ3 4.38Å; F921-W1072 AromaticContact CZ-CH2 3.13Å; F921-W1072 HydrophobicContact CZ-CH2 3.13Å; F921-W1072 AromaticContact CZ-CZ2 3.65Å; F921-W1072 HydrophobicContact CZ-CZ2 3.65Å; F921-W1072 AromaticContact CZ-CZ3 3.75Å; F921-W1072 HydrophobicContact CZ-CZ3 3.75Å |
| 922 | H | 92.5 | Very high | 92.7 | Very high | 19 Ų | 19 | 22.2 Ų | 22.2 | 9% | 0.088 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.9 | -41.2 | -179.7 | 175 | 38.5 | 0 | 0 | 0 | 111.7 | Y920 G924 H925 R926 W947 E954 | Y920-H922 HydrophobicContact CE1-CB 4.03Å; H922-G924 PolarHBondContact O-N 3.3Å; H922-H925 PolarHBondContact O-N 3.25Å; H922-R926 WeakPolarHBondContact CE1-CD 3.42Å; H922-R926 WeakPolarHBondContact NE2-CD 3.06Å; H922-R926 PolarHBondContact O-N 2.83Å; H922-W947 AromaticContact CE1-CD2 3.31Å; H922-W947 AromaticContact CE1-CE2 3.85Å; H922-W947 AromaticContact CE1-CE3 3.27Å; H922-W947 AromaticContact CE1-CG 3.67Å; H922-W947 AromaticContact CE1-CZ3 3.74Å; H922-W947 AromaticContact ND1-CD2 3.76Å; H922-W947 AromaticContact ND1-CE3 3.19Å; H922-W947 AromaticContact ND1-CZ3 3.48Å; H922-W947 WeakPolarHBondContact ND1-CZ3 3.5Å; H922-E954 WeakPolarHBondContact CB-OE2 3.46Å; H922-E954 IonicContact CD2-OE1 2.69Å; H922-E954 IonicContact CD2-OE2 3.53Å; H922-E954 PolarHBondContact CD2-OE2 3.46Å; H922-E954 IonicContact CG-OE2 3.56Å; H922-E954 PolarHBondContact N-O 2.78Å |
| 923 | Q | 91.7 | Very high | 92.6 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.009 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -52.7 | -51.4 | 172.9 | -50.2 | -173.5 | -75.1 | 0 | 0 | 112 | F921 R926 L927 E954 F1045 E1046 S1052 F1054 | F921-Q923 PolarHBondContact O-N 3.36Å; Q923-R926 WeakPolarHBondContact O-CB 3.5Å; Q923-R926 PolarHBondContact O-N 2.55Å; Q923-L927 PolarHBondContact O-N 2.88Å; Q923-E954 HydrophobicContact CG-CB 4.31Å; Q923-E954 HydrophobicContact CG-CG 4.39Å; Q923-E954 WeakPolarHBondContact CG-OE2 3.41Å; Q923-E954 PolarHBondContact N-OE2 3.11Å; Q923-F1045 HydrophobicContact CB-CD1 4.36Å; Q923-E1046 PolarHBondContact NE2-OE2 3.3Å; Q923-S1052 PolarHBondContact OE1-OG 2.8Å; Q923-F1054 HydrophobicContact CB-CD1 3.95Å; Q923-F1054 HydrophobicContact CB-CE1 4.3Å; Q923-F1054 HydrophobicContact CB-CG 4.49Å |
| 924 | G | 91.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.3 | -39 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | F921 H922 R926 L927 Y928 | F921-G924 PolarHBondContact O-N 2.99Å; H922-G924 PolarHBondContact O-N 3.3Å; G924-R926 VanDerWaalsContact C-N 3.27Å; G924-R926 PolarHBondContact O-N 2.85Å; G924-L927 PolarHBondContact O-N 3.27Å; G924-Y928 PolarHBondContact O-N 3.42Å |
| 925 | H | 93.7 | Very high | 91.9 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.009 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.9 | -30.9 | 174.7 | -166.2 | -168.4 | 0 | 0 | 0 | 111.8 | Y920 F921 H922 Y928 V929 W947 F1005 | Y920-H925 HydrophobicContact CE2-CB 3.79Å; Y920-H925 AromaticContact CE2-CG 3.86Å; Y920-H925 AromaticContact CE2-ND1 3.39Å; Y920-H925 WeakPolarHBondContact CE2-ND1 3.17Å; Y920-H925 AromaticContact CZ-ND1 3.56Å; Y920-H925 PolarHBondContact OH-ND1 3.49Å; F921-H925 PolarHBondContact O-N 3.28Å; H922-H925 PolarHBondContact O-N 3.25Å; H925-Y928 PolarHBondContact O-N 2.89Å; H925-V929 WeakPolarHBondContact O-CB 3.2Å; H925-V929 VanDerWaalsContact O-CG2 3.24Å; H925-V929 WeakPolarHBondContact O-CG2 3.18Å; H925-V929 PolarHBondContact O-N 3.09Å; H925-W947 HydrophobicContact CB-CH2 4.49Å; H925-W947 HydrophobicContact CB-CZ3 4Å; H925-W947 AromaticContact CE1-CZ3 3.95Å; H925-W947 AromaticContact CG-CZ3 3.72Å; H925-W947 AromaticContact ND1-CZ3 3.35Å; H925-W947 VanDerWaalsContact ND1-CZ3 3.35Å; H925-W947 WeakPolarHBondContact ND1-CZ3 3.19Å; H925-F1005 HydrophobicContact CB-CD2 3.42Å; H925-F1005 VanDerWaalsContact CB-CD2 3.42Å; H925-F1005 HydrophobicContact CB-CE2 3.56Å; H925-F1005 HydrophobicContact CB-CG 4.05Å; H925-F1005 HydrophobicContact CB-CZ 4.31Å; H925-F1005 AromaticContact CD2-CE2 3.41Å; H925-F1005 VanDerWaalsContact CD2-CE2 3.41Å; H925-F1005 WeakPolarHBondContact CD2-CE2 3.32Å; H925-F1005 AromaticContact CD2-CZ 3.49Å; H925-F1005 VanDerWaalsContact CD2-CZ 3.49Å; H925-F1005 WeakPolarHBondContact CD2-CZ 3.43Å; H925-F1005 AromaticContact CG-CD2 3.84Å; H925-F1005 AromaticContact CG-CE2 3.39Å; H925-F1005 AromaticContact CG-CZ 3.97Å |
| 926 | R | 91.8 | Very high | 91.5 | Very high | 100 Ų | 100 | 33.8 Ų | 33.8 | 38% | 0.377 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -66.2 | -43.6 | 171.1 | -80.7 | 169.3 | 50.5 | -165.4 | -15.8 | 111.9 | H922 Q923 G924 Y928 V929 Q930 W947 E1046 | H922-R926 WeakPolarHBondContact CE1-CD 3.42Å; H922-R926 WeakPolarHBondContact NE2-CD 3.06Å; H922-R926 PolarHBondContact O-N 2.83Å; Q923-R926 WeakPolarHBondContact O-CB 3.5Å; Q923-R926 PolarHBondContact O-N 2.55Å; G924-R926 VanDerWaalsContact C-N 3.27Å; G924-R926 PolarHBondContact O-N 2.85Å; R926-Y928 VanDerWaalsContact C-N 3.35Å; R926-V929 PolarHBondContact O-N 3.09Å; R926-Q930 WeakPolarHBondContact O-CB 3.02Å; R926-Q930 PolarHBondContact O-N 2.87Å; R926-W947 HydrophobicContact CG-CH2 3.92Å; R926-W947 HydrophobicContact CG-CZ2 4.05Å; R926-W947 HydrophobicContact CG-CZ3 4.44Å; R926-E1046 IonicContact CZ-OE1 2.75Å; R926-E1046 IonicContact NH2-OE1 3.59Å; R926-E1046 PolarHBondContact NH2-OE1 2.83Å |
| 927 | L | 91.5 | Very high | 90.9 | Very high | 56 Ų | 56 | 36.8 Ų | 36.8 | 29% | 0.293 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -60.9 | -42.6 | 173.2 | -65.6 | 177.8 | 0 | 0 | 0 | 111.8 | Q923 G924 Q930 A931 F1045 F1054 | Q923-L927 PolarHBondContact O-N 2.88Å; G924-L927 PolarHBondContact O-N 3.27Å; L927-Q930 PolarHBondContact O-N 3.2Å; L927-A931 WeakPolarHBondContact O-CB 3.22Å; L927-A931 PolarHBondContact O-N 3.2Å; L927-F1045 HydrophobicContact CD1-CE1 4.26Å; L927-F1045 HydrophobicContact CD1-CE2 4.44Å; L927-F1045 HydrophobicContact CD1-CZ 3.78Å; L927-F1045 HydrophobicContact CD2-CZ 4.21Å; L927-F1045 HydrophobicContact CG-CZ 4.4Å; L927-F1054 HydrophobicContact CD1-CE1 3.82Å; L927-F1054 HydrophobicContact CD1-CZ 4Å |
| 928 | Y | 93.4 | Very high | 90.5 | Very high | 5 Ų | 5 | 36.4 Ų | 36.4 | 2% | 0.02 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.6 | -50.4 | 174 | 176.5 | -94.6 | 0 | 0 | 0 | 112.4 | G924 H925 R926 Q930 A931 V932 Y938 F996 H997 M999 V1002 F1005 | G924-Y928 PolarHBondContact O-N 3.42Å; H925-Y928 PolarHBondContact O-N 2.89Å; R926-Y928 VanDerWaalsContact C-N 3.35Å; Y928-Q930 VanDerWaalsContact C-N 3.26Å; Y928-Q930 PolarHBondContact O-N 2.98Å; Y928-A931 PolarHBondContact O-N 2.96Å; Y928-V932 HydrophobicContact CD1-CG2 4.28Å; Y928-V932 HydrophobicContact CE1-CG2 3.68Å; Y928-V932 HydrophobicContact CE2-CG2 4.14Å; Y928-V932 WeakPolarHBondContact O-CG2 3.37Å; Y928-V932 PolarHBondContact O-N 3.43Å; Y928-Y938 PolarHBondContact OH-OH 2.87Å; Y928-F996 HydrophobicContact CD1-CB 4.32Å; Y928-F996 HydrophobicContact CE1-CB 3.73Å; Y928-F996 HydrophobicContact CE2-CB 4.18Å; Y928-F996 WeakPolarHBondContact OH-CA 3.33Å; Y928-H997 VanDerWaalsContact CE2-O 3.3Å; Y928-H997 WeakPolarHBondContact CE2-O 3.33Å; Y928-H997 PolarHBondContact OH-N 3.2Å; Y928-H997 PolarHBondContact OH-ND1 3.04Å; Y928-H997 PolarHBondContact OH-O 3.15Å; Y928-M999 HydrophobicContact CD2-CE 3.72Å; Y928-M999 HydrophobicContact CD2-SD 4.37Å; Y928-M999 HydrophobicContact CE2-CE 3.54Å; Y928-M999 HydrophobicContact CE2-CG 3.91Å; Y928-M999 HydrophobicContact CE2-SD 3.58Å; Y928-M999 VanDerWaalsContact CE2-SD 3.58Å; Y928-V1002 HydrophobicContact CD2-CG1 4.11Å; Y928-F1005 VanDerWaalsContact CB-CE1 3.49Å; Y928-F1005 HydrophobicContact CD1-CE1 4.05Å; Y928-F1005 HydrophobicContact CD1-CZ 4.15Å; Y928-F1005 AromaticContact CD2-CE1 3.79Å; Y928-F1005 HydrophobicContact CD2-CE1 3.79Å; Y928-F1005 HydrophobicContact CG-CD1 4.3Å; Y928-F1005 AromaticContact CG-CE1 3.47Å; Y928-F1005 HydrophobicContact CG-CE1 3.47Å; Y928-F1005 VanDerWaalsContact CG-CE1 3.47Å; Y928-F1005 HydrophobicContact CG-CZ 4.04Å |
| 929 | V | 91.9 | Very high | 89.9 | Confident | 4 Ų | 4 | 46.9 Ų | 46.9 | 2% | 0.024 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.9 | -34.7 | 178.7 | 169.4 | 0 | 0 | 0 | 0 | 111.5 | H925 R926 R933 I940 M945 W947 | H925-V929 WeakPolarHBondContact O-CB 3.2Å; H925-V929 VanDerWaalsContact O-CG2 3.24Å; H925-V929 WeakPolarHBondContact O-CG2 3.18Å; H925-V929 PolarHBondContact O-N 3.09Å; R926-V929 PolarHBondContact O-N 3.09Å; V929-R933 WeakPolarHBondContact O-CD 3.27Å; V929-R933 WeakPolarHBondContact O-CG 3.47Å; V929-R933 PolarHBondContact O-N 3.07Å; V929-I940 HydrophobicContact CB-CD1 4.41Å; V929-I940 HydrophobicContact CG1-CD1 4.18Å; V929-I940 HydrophobicContact CG1-CG2 4.34Å; V929-I940 HydrophobicContact CG2-CD1 4.08Å; V929-M945 HydrophobicContact CB-SD 4.49Å; V929-M945 HydrophobicContact CG1-SD 4.07Å; V929-M945 HydrophobicContact CG2-CE 4.42Å; V929-M945 HydrophobicContact CG2-SD 3.62Å; V929-W947 HydrophobicContact CG2-CH2 4.14Å |
| 930 | Q | 90.7 | Very high | 89.4 | Confident | 110 Ų | 110 | 48.1 Ų | 48.1 | 51% | 0.514 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -67.3 | -49.7 | 172.6 | 179.5 | 170.7 | -15.2 | 0 | 0 | 111.5 | R926 L927 Y928 V932 R933 D934 | R926-Q930 WeakPolarHBondContact O-CB 3.02Å; R926-Q930 PolarHBondContact O-N 2.87Å; L927-Q930 PolarHBondContact O-N 3.2Å; Y928-Q930 VanDerWaalsContact C-N 3.26Å; Y928-Q930 PolarHBondContact O-N 2.98Å; Q930-V932 VanDerWaalsContact C-N 3.28Å; Q930-V932 PolarHBondContact O-N 3.21Å; Q930-R933 CarbonylContact O-C 3.55Å; Q930-R933 WeakPolarHBondContact O-CA 3.13Å; Q930-R933 WeakPolarHBondContact O-CB 3.22Å; Q930-R933 PolarHBondContact O-N 2.99Å; Q930-D934 WeakPolarHBondContact CG-OD2 3.39Å; Q930-D934 PolarHBondContact NE2-OD2 2.8Å; Q930-D934 VanDerWaalsContact O-CG 3.3Å; Q930-D934 PolarHBondContact O-N 3.01Å |
| 931 | A | 90.9 | Very high | 88.8 | Confident | 33 Ų | 33 | 53.7 Ų | 53.7 | 27% | 0.273 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.7 | -35.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | L927 Y928 R933 G935 M999 V1002 | L927-A931 WeakPolarHBondContact O-CB 3.22Å; L927-A931 PolarHBondContact O-N 3.2Å; Y928-A931 PolarHBondContact O-N 2.96Å; A931-R933 VanDerWaalsContact C-N 3.35Å; A931-G935 PolarHBondContact O-N 2.79Å; A931-M999 HydrophobicContact CB-CE 3.66Å; A931-V1002 HydrophobicContact CB-CG2 3.79Å |
| 932 | V | 89.4 | Confident | 88.2 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.1 | -37.4 | 171.3 | 169.8 | 0 | 0 | 0 | 0 | 112.4 | Y928 Q930 N936 L937 Y938 I940 M999 | Y928-V932 HydrophobicContact CD1-CG2 4.28Å; Y928-V932 HydrophobicContact CE1-CG2 3.68Å; Y928-V932 HydrophobicContact CE2-CG2 4.14Å; Y928-V932 WeakPolarHBondContact O-CG2 3.37Å; Y928-V932 PolarHBondContact O-N 3.43Å; Q930-V932 VanDerWaalsContact C-N 3.28Å; Q930-V932 PolarHBondContact O-N 3.21Å; V932-N936 WeakPolarHBondContact O-CA 3.3Å; V932-N936 PolarHBondContact O-N 3.33Å; V932-N936 VanDerWaalsContact O-N 3.1Å; V932-L937 HydrophobicContact CG1-CB 4.4Å; V932-L937 PolarHBondContact O-N 3.32Å; V932-Y938 HydrophobicContact CB-CE1 4.32Å; V932-Y938 HydrophobicContact CG1-CD1 3.7Å; V932-Y938 HydrophobicContact CG1-CE1 3.47Å; V932-Y938 VanDerWaalsContact CG1-CE1 3.47Å; V932-Y938 HydrophobicContact CG1-CE2 4.38Å; V932-Y938 HydrophobicContact CG1-CG 4.23Å; V932-Y938 HydrophobicContact CG2-CE1 3.78Å; V932-I940 HydrophobicContact CB-CD1 3.97Å; V932-I940 HydrophobicContact CG1-CD1 3.63Å; V932-I940 HydrophobicContact CG1-CG1 4.03Å; V932-I940 HydrophobicContact CG2-CD1 4.37Å; V932-M999 HydrophobicContact CG2-CE 3.87Å; V932-M999 HydrophobicContact CG2-SD 3.54Å; V932-M999 VanDerWaalsContact CG2-SD 3.54Å |
| 933 | R | 90.5 | Very high | 87.8 | Confident | 104 Ų | 104 | 64.1 Ų | 64.1 | 39% | 0.392 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -71.5 | -49.4 | 178.2 | -74.6 | 165.7 | 173.7 | -173 | -8.2 | 111.4 | V929 Q930 A931 N936 E942 | V929-R933 WeakPolarHBondContact O-CD 3.27Å; V929-R933 WeakPolarHBondContact O-CG 3.47Å; V929-R933 PolarHBondContact O-N 3.07Å; Q930-R933 CarbonylContact O-C 3.55Å; Q930-R933 WeakPolarHBondContact O-CA 3.13Å; Q930-R933 WeakPolarHBondContact O-CB 3.22Å; Q930-R933 PolarHBondContact O-N 2.99Å; A931-R933 VanDerWaalsContact C-N 3.35Å; R933-N936 WeakPolarHBondContact O-CA 3.4Å; R933-N936 PolarHBondContact O-N 3.22Å; R933-E942 IonicContact CZ-OE1 3.2Å; R933-E942 IonicContact CZ-OE2 3.76Å; R933-E942 IonicContact NH1-OE1 3.64Å; R933-E942 PolarHBondContact NH1-OE1 3.1Å; R933-E942 IonicContact NH2-OE1 2.74Å; R933-E942 PolarHBondContact NH2-OE1 3.19Å; R933-E942 IonicContact NH2-OE2 2.67Å; R933-E942 PolarHBondContact NH2-OE2 2.67Å |
| 934 | D | 87.2 | Confident | 87.4 | Confident | 74 Ų | 74 | 67 Ų | 67 | 40% | 0.396 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.6 | -39.6 | -177.2 | -60.3 | -8.7 | 0 | 0 | 0 | 110.5 | Q930 N936 P1476 | Q930-D934 WeakPolarHBondContact CG-OD2 3.39Å; Q930-D934 PolarHBondContact NE2-OD2 2.8Å; Q930-D934 VanDerWaalsContact O-CG 3.3Å; Q930-D934 PolarHBondContact O-N 3.01Å; D934-N936 VanDerWaalsContact C-N 3.26Å; D934-N936 PolarHBondContact O-N 2.75Å; D934-P1476 HydrophobicContact CB-CG 3.95Å |
| 935 | G | 82.4 | Confident | 87.2 | Confident | 32 Ų | 32 | 67.6 Ų | 67.6 | 33% | 0.33 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -9.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115 | A931 L937 | A931-G935 PolarHBondContact O-N 2.79Å; G935-L937 VanDerWaalsContact C-N 3.27Å; G935-L937 PolarHBondContact O-N 3.2Å |
| 936 | N | 83.2 | Confident | 86.9 | Confident | 134 Ų | 134 | 68 Ų | 68 | 72% | 0.717 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 44.6 | -175.5 | -173.3 | 50 | 0 | 0 | 0 | 113.7 | V932 R933 D934 | V932-N936 WeakPolarHBondContact O-CA 3.3Å; V932-N936 PolarHBondContact O-N 3.33Å; V932-N936 VanDerWaalsContact O-N 3.1Å; R933-N936 WeakPolarHBondContact O-CA 3.4Å; R933-N936 PolarHBondContact O-N 3.22Å; D934-N936 VanDerWaalsContact C-N 3.26Å; D934-N936 PolarHBondContact O-N 2.75Å |
| 937 | L | 81.2 | Confident | 86.8 | Confident | 63 Ų | 63 | 66.6 Ų | 66.6 | 33% | 0.33 | 31% | 0.308 | S | S | . | . | trans | -78.9 | -38.6 | -169.7 | -62.8 | 177.4 | 0 | 0 | 0 | 113.4 | V932 G935 I970 M999 | V932-L937 HydrophobicContact CG1-CB 4.4Å; V932-L937 PolarHBondContact O-N 3.32Å; G935-L937 VanDerWaalsContact C-N 3.27Å; G935-L937 PolarHBondContact O-N 3.2Å; L937-I970 HydrophobicContact CB-CD1 3.88Å; L937-M999 HydrophobicContact CD1-CG 4.46Å; L937-M999 HydrophobicContact CD1-SD 3.44Å; L937-M999 WeakPolarHBondContact CD1-SD 3.36Å | ||
| 938 | Y | 86 | Confident | 86.4 | Confident | 25 Ų | 25 | 69.1 Ų | 69.1 | 10% | 0.098 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -163.2 | 157.5 | 171.3 | 64 | -81.2 | 0 | 0 | 0 | 110.8 | Y928 V932 I940 L972 H997 | Y928-Y938 PolarHBondContact OH-OH 2.87Å; V932-Y938 HydrophobicContact CB-CE1 4.32Å; V932-Y938 HydrophobicContact CG1-CD1 3.7Å; V932-Y938 HydrophobicContact CG1-CE1 3.47Å; V932-Y938 VanDerWaalsContact CG1-CE1 3.47Å; V932-Y938 HydrophobicContact CG1-CE2 4.38Å; V932-Y938 HydrophobicContact CG1-CG 4.23Å; V932-Y938 HydrophobicContact CG2-CE1 3.78Å; Y938-I940 HydrophobicContact CD2-CG1 4.02Å; Y938-I940 HydrophobicContact CE2-CD1 3.99Å; Y938-I940 HydrophobicContact CE2-CG1 3.47Å; Y938-I940 VanDerWaalsContact CE2-CG1 3.47Å; Y938-I940 PolarHBondContact O-N 3.37Å; Y938-I940 VanDerWaalsContact O-N 3.15Å; Y938-L972 HydrophobicContact CD1-CD2 4.15Å; Y938-L972 HydrophobicContact CD2-CD1 3.96Å; Y938-L972 HydrophobicContact CE1-CD2 3.63Å; Y938-L972 HydrophobicContact CE2-CD1 3.46Å; Y938-L972 VanDerWaalsContact CE2-CD1 3.46Å; Y938-L972 HydrophobicContact CE2-CD2 4.05Å; Y938-L972 HydrophobicContact CE2-CG 4.4Å; Y938-H997 AromaticContact CE1-CE1 3.68Å; Y938-H997 AromaticContact CE1-ND1 3.61Å |
| 939 | R | 83.4 | Confident | 85.7 | Confident | 222 Ų | 222 | 78 Ų | 78 | 84% | 0.838 | 35% | 0.352 | S | S | * | . | trans | -82.2 | 95.6 | -173.3 | -170.7 | 178 | -177.2 | 173.2 | 4.6 | 113.6 | ||||
| 940 | I | 84.2 | Confident | 85.3 | Confident | 26 Ų | 26 | 80.3 Ų | 80.3 | 13% | 0.133 | 36% | 0.363 | C | S | . | . | trans | -73.2 | 144 | 165.8 | -61.4 | -179.8 | 0 | 0 | 0 | 110.8 | V929 V932 Y938 M945 | V929-I940 HydrophobicContact CB-CD1 4.41Å; V929-I940 HydrophobicContact CG1-CD1 4.18Å; V929-I940 HydrophobicContact CG1-CG2 4.34Å; V929-I940 HydrophobicContact CG2-CD1 4.08Å; V932-I940 HydrophobicContact CB-CD1 3.97Å; V932-I940 HydrophobicContact CG1-CD1 3.63Å; V932-I940 HydrophobicContact CG1-CG1 4.03Å; V932-I940 HydrophobicContact CG2-CD1 4.37Å; Y938-I940 HydrophobicContact CD2-CG1 4.02Å; Y938-I940 HydrophobicContact CE2-CD1 3.99Å; Y938-I940 HydrophobicContact CE2-CG1 3.47Å; Y938-I940 VanDerWaalsContact CE2-CG1 3.47Å; Y938-I940 PolarHBondContact O-N 3.37Å; Y938-I940 VanDerWaalsContact O-N 3.15Å; I940-M945 HydrophobicContact CG2-CE 3.4Å; I940-M945 HydrophobicContact CG2-SD 3.74Å | ||
| 941 | R | 83.5 | Confident | 85 | Confident | 116 Ų | 116 | 84 Ų | 84 | 44% | 0.438 | 38% | 0.381 | S | S | . | . | trans | -116.6 | 135.8 | 171.4 | -46.7 | -166.7 | -168.8 | 102.9 | -2.7 | 111.3 | R943 E944 | R941-R943 VanDerWaalsContact C-N 3.3Å; R941-R943 HydrophobicContact CB-CG 4.26Å; R941-R943 PolarHBondContact O-N 3.16Å; R941-R943 VanDerWaalsContact O-N 3.15Å; R941-E944 VanDerWaalsContact CD-OE1 3.32Å; R941-E944 WeakPolarHBondContact CD-OE1 3.16Å; R941-E944 WeakPolarHBondContact CG-OE2 3.1Å; R941-E944 IonicContact CZ-OE1 3.74Å; R941-E944 IonicContact CZ-OE2 3.89Å; R941-E944 IonicContact NE-OE1 2.96Å; R941-E944 VanDerWaalsContact NH1-CD 3.3Å; R941-E944 IonicContact NH1-OE1 3.89Å; R941-E944 PolarHBondContact NH1-OE1 2.73Å; R941-E944 IonicContact NH1-OE2 2.66Å; R941-E944 PolarHBondContact NH1-OE2 2.94Å; R941-E944 VanDerWaalsContact NH1-OE2 3.09Å; R941-E944 WeakPolarHBondContact O-CB 3.36Å; R941-E944 PolarHBondContact O-N 3.09Å | ||
| 942 | E | 82.2 | Confident | 84.8 | Confident | 93 Ų | 93 | 83.4 Ų | 83.4 | 44% | 0.435 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -44.1 | -49.3 | 177 | -109.2 | 59.9 | -143.5 | 0 | 0 | 114.2 | R933 E944 M945 H948 | R933-E942 IonicContact CZ-OE1 3.2Å; R933-E942 IonicContact CZ-OE2 3.76Å; R933-E942 IonicContact NH1-OE1 3.64Å; R933-E942 PolarHBondContact NH1-OE1 3.1Å; R933-E942 IonicContact NH2-OE1 2.74Å; R933-E942 PolarHBondContact NH2-OE1 3.19Å; R933-E942 IonicContact NH2-OE2 2.67Å; R933-E942 PolarHBondContact NH2-OE2 2.67Å; E942-E944 PolarHBondContact O-N 2.73Å; E942-M945 VanDerWaalsContact O-CB 3.27Å; E942-M945 WeakPolarHBondContact O-CB 3.47Å; E942-M945 WeakPolarHBondContact O-CG 3.24Å; E942-M945 PolarHBondContact O-N 3.26Å; E942-H948 VanDerWaalsContact C-CD2 3.44Å; E942-H948 PolarHBondContact O-CD2 2.91Å; E942-H948 VanDerWaalsContact O-CD2 3.29Å |
| 943 | R | 84.3 | Confident | 84.6 | Confident | 145 Ų | 145 | 88.3 Ų | 88.3 | 55% | 0.547 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -63.6 | -9.9 | -178.6 | 71.5 | -174.2 | -174.3 | -166.6 | 3.2 | 115.6 | R941 R949 | R941-R943 VanDerWaalsContact C-N 3.3Å; R941-R943 HydrophobicContact CB-CG 4.26Å; R941-R943 PolarHBondContact O-N 3.16Å; R941-R943 VanDerWaalsContact O-N 3.15Å; R943-R949 PolarHBondContact O-NH2 2.92Å |
| 944 | E | 82.1 | Confident | 84.5 | Confident | 64 Ų | 64 | 85.7 Ų | 85.7 | 30% | 0.299 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -101.1 | -3.3 | 177.3 | -75.9 | 138.5 | -135.6 | 0 | 0 | 112 | R941 E942 | R941-E944 VanDerWaalsContact CD-OE1 3.32Å; R941-E944 WeakPolarHBondContact CD-OE1 3.16Å; R941-E944 WeakPolarHBondContact CG-OE2 3.1Å; R941-E944 IonicContact CZ-OE1 3.74Å; R941-E944 IonicContact CZ-OE2 3.89Å; R941-E944 IonicContact NE-OE1 2.96Å; R941-E944 VanDerWaalsContact NH1-CD 3.3Å; R941-E944 IonicContact NH1-OE1 3.89Å; R941-E944 PolarHBondContact NH1-OE1 2.73Å; R941-E944 IonicContact NH1-OE2 2.66Å; R941-E944 PolarHBondContact NH1-OE2 2.94Å; R941-E944 VanDerWaalsContact NH1-OE2 3.09Å; R941-E944 WeakPolarHBondContact O-CB 3.36Å; R941-E944 PolarHBondContact O-N 3.09Å; E942-E944 PolarHBondContact O-N 2.73Å |
| 945 | M | 88.3 | Confident | 84.7 | Confident | 12 Ų | 12 | 83.4 Ų | 83.4 | 6% | 0.059 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -77.6 | 143.8 | 170.7 | -55 | -70.8 | 78 | 0 | 0 | 111.6 | V929 I940 E942 W947 H948 | V929-M945 HydrophobicContact CB-SD 4.49Å; V929-M945 HydrophobicContact CG1-SD 4.07Å; V929-M945 HydrophobicContact CG2-CE 4.42Å; V929-M945 HydrophobicContact CG2-SD 3.62Å; I940-M945 HydrophobicContact CG2-CE 3.4Å; I940-M945 HydrophobicContact CG2-SD 3.74Å; E942-M945 VanDerWaalsContact O-CB 3.27Å; E942-M945 WeakPolarHBondContact O-CB 3.47Å; E942-M945 WeakPolarHBondContact O-CG 3.24Å; E942-M945 PolarHBondContact O-N 3.26Å; M945-W947 HydrophobicContact CB-CD2 3.97Å; M945-W947 HydrophobicContact CB-CG 4.41Å; M945-W947 HydrophobicContact CB-CH2 4.47Å; M945-W947 HydrophobicContact CB-CZ2 3.86Å; M945-W947 HydrophobicContact CG-CH2 4.48Å; M945-W947 HydrophobicContact CG-CZ2 3.8Å; M945-W947 HydrophobicContact SD-CH2 3.93Å; M945-W947 HydrophobicContact SD-CZ2 3.74Å; M945-H948 WeakPolarHBondContact O-CB 3.19Å; M945-H948 PolarHBondContact O-N 3.04Å |
| 946 | P | 86.6 | Confident | 85.2 | Confident | 11 Ų | 11 | 82.3 Ų | 82.3 | 7% | 0.071 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -69.5 | -37.7 | -173.2 | 28.1 | -35 | 0 | 0 | 0 | 112.6 | H948 R949 L950 L952 F992 | P946-H948 PolarHBondContact O-N 2.79Å; P946-H948 VanDerWaalsContact O-N 3.11Å; P946-R949 PolarHBondContact O-N 2.69Å; P946-L950 PolarHBondContact O-N 3.08Å; P946-L952 HydrophobicContact CB-CD1 4.02Å; P946-L952 HydrophobicContact CG-CD1 4.17Å; P946-F992 HydrophobicContact CB-CB 3.81Å; P946-F992 HydrophobicContact CB-CD2 3.63Å; P946-F992 HydrophobicContact CB-CG 4.14Å; P946-F992 HydrophobicContact CG-CD2 4.05Å |
| 947 | W | 89.1 | Confident | 85.8 | Confident | 70 Ų | 70 | 76.3 Ų | 76.3 | 27% | 0.265 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -66 | -8.3 | 175.8 | 57 | 82.4 | 0 | 0 | 0 | 114.4 | Y920 H922 H925 R926 V929 M945 R949 L950 | Y920-W947 WeakPolarHBondContact OH-CZ3 3.3Å; H922-W947 AromaticContact CE1-CD2 3.31Å; H922-W947 AromaticContact CE1-CE2 3.85Å; H922-W947 AromaticContact CE1-CE3 3.27Å; H922-W947 AromaticContact CE1-CG 3.67Å; H922-W947 AromaticContact CE1-CZ3 3.74Å; H922-W947 AromaticContact ND1-CD2 3.76Å; H922-W947 AromaticContact ND1-CE3 3.19Å; H922-W947 AromaticContact ND1-CZ3 3.48Å; H922-W947 WeakPolarHBondContact ND1-CZ3 3.5Å; H925-W947 HydrophobicContact CB-CH2 4.49Å; H925-W947 HydrophobicContact CB-CZ3 4Å; H925-W947 AromaticContact CE1-CZ3 3.95Å; H925-W947 AromaticContact CG-CZ3 3.72Å; H925-W947 AromaticContact ND1-CZ3 3.35Å; H925-W947 VanDerWaalsContact ND1-CZ3 3.35Å; H925-W947 WeakPolarHBondContact ND1-CZ3 3.19Å; R926-W947 HydrophobicContact CG-CH2 3.92Å; R926-W947 HydrophobicContact CG-CZ2 4.05Å; R926-W947 HydrophobicContact CG-CZ3 4.44Å; V929-W947 HydrophobicContact CG2-CH2 4.14Å; M945-W947 HydrophobicContact CB-CD2 3.97Å; M945-W947 HydrophobicContact CB-CG 4.41Å; M945-W947 HydrophobicContact CB-CH2 4.47Å; M945-W947 HydrophobicContact CB-CZ2 3.86Å; M945-W947 HydrophobicContact CG-CH2 4.48Å; M945-W947 HydrophobicContact CG-CZ2 3.8Å; M945-W947 HydrophobicContact SD-CH2 3.93Å; M945-W947 HydrophobicContact SD-CZ2 3.74Å; W947-R949 VanDerWaalsContact C-N 3.25Å; W947-R949 PolarHBondContact O-N 3.18Å; W947-L950 WeakPolarHBondContact CA-O 3.49Å |
| 948 | H | 83.2 | Confident | 86.4 | Confident | 109 Ų | 109 | 73.3 Ų | 73.3 | 51% | 0.505 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -82.3 | -3 | 175.1 | -154.7 | -44.8 | 0 | 0 | 0 | 112.6 | E942 M945 P946 | E942-H948 VanDerWaalsContact C-CD2 3.44Å; E942-H948 PolarHBondContact O-CD2 2.91Å; E942-H948 VanDerWaalsContact O-CD2 3.29Å; M945-H948 WeakPolarHBondContact O-CB 3.19Å; M945-H948 PolarHBondContact O-N 3.04Å; P946-H948 PolarHBondContact O-N 2.79Å; P946-H948 VanDerWaalsContact O-N 3.11Å |
| 949 | R | 79.7 | Confident | 86.8 | Confident | 191 Ų | 191 | 74 Ų | 74 | 72% | 0.721 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.5 | -14.2 | -179.5 | -53.6 | -175.7 | -161.5 | 176 | 6.5 | 114.5 | R943 P946 W947 | R943-R949 PolarHBondContact O-NH2 2.92Å; P946-R949 PolarHBondContact O-N 2.69Å; W947-R949 VanDerWaalsContact C-N 3.25Å; W947-R949 PolarHBondContact O-N 3.18Å |
| 950 | L | 84.1 | Confident | 87.4 | Confident | 52 Ų | 52 | 63.4 Ų | 63.4 | 27% | 0.272 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -139.2 | 136.2 | -176.5 | -70.5 | 166.9 | 0 | 0 | 0 | 108.2 | P946 W947 L952 Q991 F992 | P946-L950 PolarHBondContact O-N 3.08Å; W947-L950 WeakPolarHBondContact CA-O 3.49Å; L950-L952 HydrophobicContact CB-CD2 4.14Å; L950-L952 HydrophobicContact CB-CG 4.36Å; L950-L952 PolarHBondContact O-N 2.66Å; L950-Q991 WeakPolarHBondContact CD1-O 3.31Å; L950-F992 HydrophobicContact CD1-CB 3.85Å |
| 951 | E | 83.9 | Confident | 87.8 | Confident | 188 Ų | 188 | 67.5 Ų | 67.5 | 88% | 0.879 | 30% | 0.3 | S | S | * | . | trans | -74.6 | 114.6 | 165.9 | -67.6 | 176.9 | 170.8 | 0 | 0 | 108 | R979 | E951-R979 PolarHBondContact O-NH2 2.88Å; E951-R979 VanDerWaalsContact O-NH2 3.08Å | ||
| 952 | L | 85.6 | Confident | 88.3 | Confident | 21 Ų | 21 | 65 Ų | 65 | 11% | 0.11 | 30% | 0.295 | C | S | . | . | trans | -112.5 | 135.8 | 179.6 | -61.1 | 179.4 | 0 | 0 | 0 | 108.5 | Y920 P946 L950 E956 F992 | Y920-L952 HydrophobicContact CE1-CD1 4.1Å; P946-L952 HydrophobicContact CB-CD1 4.02Å; P946-L952 HydrophobicContact CG-CD1 4.17Å; L950-L952 HydrophobicContact CB-CD2 4.14Å; L950-L952 HydrophobicContact CB-CG 4.36Å; L950-L952 PolarHBondContact O-N 2.66Å; L952-E956 HydrophobicContact CB-CG 4.09Å; L952-E956 HydrophobicContact CD2-CG 4.22Å; L952-F992 HydrophobicContact CD1-CD2 4.21Å; L952-F992 HydrophobicContact CD1-CE2 4.27Å; L952-F992 HydrophobicContact CD1-CG 4.48Å; L952-F992 HydrophobicContact CD2-CD1 4.25Å; L952-F992 HydrophobicContact CD2-CE1 4.38Å | ||
| 953 | N | 86.4 | Confident | 88.8 | Confident | 103 Ų | 103 | 60.8 Ų | 60.8 | 55% | 0.551 | 28% | 0.276 | S | S | * | . | trans | -70 | 163.8 | 170.2 | -63.2 | -83.4 | 0 | 0 | 0 | 110.8 | E955 E956 | N953-E955 PolarHBondContact O-N 2.73Å; N953-E956 HydrophobicContact CB-CG 4.3Å; N953-E956 WeakPolarHBondContact CB-OE1 3.32Å; N953-E956 PolarHBondContact N-OE1 3.06Å; N953-E956 PolarHBondContact ND2-OE1 2.8Å | ||
| 954 | E | 87.6 | Confident | 89.2 | Confident | 49 Ų | 49 | 55 Ų | 55 | 23% | 0.229 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -66.9 | -27.8 | 176.1 | -59.4 | -58.5 | 160.2 | 0 | 0 | 113 | F921 H922 Q923 C1049 | F921-E954 WeakPolarHBondContact CA-O 3.37Å; H922-E954 WeakPolarHBondContact CB-OE2 3.46Å; H922-E954 IonicContact CD2-OE1 2.69Å; H922-E954 IonicContact CD2-OE2 3.53Å; H922-E954 PolarHBondContact CD2-OE2 3.46Å; H922-E954 IonicContact CG-OE2 3.56Å; H922-E954 PolarHBondContact N-O 2.78Å; Q923-E954 HydrophobicContact CG-CB 4.31Å; Q923-E954 HydrophobicContact CG-CG 4.39Å; Q923-E954 WeakPolarHBondContact CG-OE2 3.41Å; Q923-E954 PolarHBondContact N-OE2 3.11Å; E954-C1049 HydrophobicContact CG-CB 4.18Å |
| 955 | E | 91.8 | Very high | 89.7 | Confident | 25 Ų | 25 | 52.4 Ų | 52.4 | 12% | 0.117 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 109 | 165.7 | -47.1 | -168.1 | 139.7 | 0 | 0 | 109.1 | V919 F921 N953 R982 Y1012 N1053 | V919-E955 HydrophobicContact CG1-CB 4.25Å; F921-E955 HydrophobicContact CD1-CG 4.17Å; F921-E955 HydrophobicContact CE1-CB 4.29Å; F921-E955 HydrophobicContact CE1-CG 3.79Å; N953-E955 PolarHBondContact O-N 2.73Å; E955-R982 IonicContact OE2-CZ 3.84Å; E955-R982 IonicContact OE2-NH1 3.99Å; E955-R982 PolarHBondContact OE2-NH1 3.41Å; E955-R982 IonicContact OE2-NH2 3.48Å; E955-Y1012 VanDerWaalsContact CD-OH 3.3Å; E955-Y1012 PolarHBondContact OE1-OH 2.93Å; E955-Y1012 PolarHBondContact OE2-OH 2.85Å; E955-N1053 WeakPolarHBondContact OE1-CB 3.45Å; E955-N1053 PolarHBondContact OE1-N 3.33Å; E955-N1053 PolarHBondContact OE1-ND2 3.33Å |
| 956 | E | 93.1 | Very high | 89.7 | Confident | 9 Ų | 9 | 54.6 Ų | 54.6 | 4% | 0.042 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 129.6 | 173.5 | -76.9 | -73.4 | 161.8 | 0 | 0 | 110.8 | V919 Y920 L952 N953 R979 | V919-E956 CarbonylContact C-O 3.58Å; V919-E956 WeakPolarHBondContact CA-O 3.35Å; Y920-E956 HydrophobicContact CD1-CB 4.06Å; Y920-E956 PolarHBondContact N-O 3.16Å; Y920-E956 PolarHBondContact O-N 3.47Å; L952-E956 HydrophobicContact CB-CG 4.09Å; L952-E956 HydrophobicContact CD2-CG 4.22Å; N953-E956 HydrophobicContact CB-CG 4.3Å; N953-E956 WeakPolarHBondContact CB-OE1 3.32Å; N953-E956 PolarHBondContact N-OE1 3.06Å; N953-E956 PolarHBondContact ND2-OE1 2.8Å; E956-R979 IonicContact OE1-CZ 3.95Å; E956-R979 IonicContact OE1-NE 3.29Å; E956-R979 IonicContact OE1-NH2 2.81Å; E956-R979 PolarHBondContact OE1-NH2 3.34Å; E956-R979 IonicContact OE2-CZ 3.19Å; E956-R979 IonicContact OE2-NE 3.07Å; E956-R979 PolarHBondContact OE2-NE 2.71Å; E956-R979 IonicContact OE2-NH2 3.06Å; E956-R979 PolarHBondContact OE2-NH2 3.22Å |
| 957 | F | 95.1 | Very high | 89.6 | Confident | 9 Ų | 9 | 56.7 Ų | 56.7 | 4% | 0.039 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 131.3 | 174.4 | -68.2 | -104.1 | 0 | 0 | 0 | 108 | V919 R979 V980 R982 R1009 Y1012 | V919-F957 HydrophobicContact CG1-CE2 4.44Å; V919-F957 HydrophobicContact CG1-CZ 4.39Å; V919-F957 HydrophobicContact CG2-CD1 3.82Å; V919-F957 HydrophobicContact CG2-CE1 3.53Å; V919-F957 HydrophobicContact CG2-CG 4.5Å; V919-F957 HydrophobicContact CG2-CZ 3.96Å; F957-R979 CarbonylContact O-C 3.59Å; F957-R979 WeakPolarHBondContact O-CA 3.38Å; F957-V980 HydrophobicContact CB-CG2 3.81Å; F957-V980 PolarHBondContact O-N 2.96Å; F957-R982 HydrophobicContact CD1-CG 4.37Å; F957-R982 HydrophobicContact CD2-CB 4Å; F957-R982 HydrophobicContact CD2-CG 3.93Å; F957-R982 HydrophobicContact CE1-CG 4.09Å; F957-R982 HydrophobicContact CE2-CB 4.24Å; F957-R982 HydrophobicContact CE2-CG 3.66Å; F957-R982 HydrophobicContact CG-CB 4.29Å; F957-R982 HydrophobicContact CG-CG 4.31Å; F957-R982 HydrophobicContact CZ-CG 3.75Å; F957-R1009 HydrophobicContact CD1-CG 4.5Å; F957-Y1012 HydrophobicContact CE1-CD1 4.29Å; F957-Y1012 AromaticContact CE1-CE1 3.93Å; F957-Y1012 HydrophobicContact CE1-CE1 3.93Å; F957-Y1012 HydrophobicContact CZ-CD1 4.37Å; F957-Y1012 AromaticContact CZ-CE1 3.6Å; F957-Y1012 HydrophobicContact CZ-CE1 3.6Å; F957-Y1012 AromaticContact CZ-CZ 3.9Å |
| 958 | A | 95.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 164.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V918 L977 T978 F992 | V918-A958 HydrophobicContact CG2-CB 4.18Å; V918-A958 PolarHBondContact N-O 2.7Å; V918-A958 PolarHBondContact O-N 2.68Å; A958-L977 HydrophobicContact CB-CB 4.07Å; A958-T978 CarbonylContact C-O 3.59Å; A958-T978 WeakPolarHBondContact CA-O 3.33Å; A958-T978 WeakPolarHBondContact CB-O 3.49Å; A958-F992 HydrophobicContact CB-CE1 4.5Å |
| 959 | I | 94.4 | Very high | 88.6 | Confident | 39 Ų | 39 | 58.4 Ų | 58.4 | 20% | 0.2 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 136.1 | 167.3 | -70.2 | 172.4 | 0 | 0 | 0 | 109.2 | D916 E917 Q961 L977 T978 V980 | D916-I959 CarbonylContact O-C 3.57Å; D916-I959 WeakPolarHBondContact O-CA 3.43Å; E917-I959 HydrophobicContact CG-CD1 4.1Å; E917-I959 HydrophobicContact CG-CG1 3.73Å; I959-Q961 PolarHBondContact O-N 3.24Å; I959-Q961 VanDerWaalsContact O-N 3.08Å; I959-L977 WeakPolarHBondContact O-CA 3.39Å; I959-T978 PolarHBondContact N-O 2.83Å; I959-T978 PolarHBondContact O-N 3.09Å; I959-V980 HydrophobicContact CB-CG1 4.36Å; I959-V980 HydrophobicContact CD1-CG1 3.74Å; I959-V980 HydrophobicContact CG1-CG1 3.76Å |
| 960 | V | 95 | Very high | 88.6 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 96.1 | 172.9 | -177.7 | 0 | 0 | 0 | 0 | 109.6 | G915 D916 V918 V963 L975 L977 | G915-V960 WeakPolarHBondContact CA-O 3.25Å; G915-V960 PolarHBondContact N-O 3.11Å; D916-V960 HydrophobicContact CB-CB 4.45Å; D916-V960 HydrophobicContact CB-CG2 4.05Å; D916-V960 PolarHBondContact O-N 3.38Å; V918-V960 HydrophobicContact CG1-CG2 4.19Å; V918-V960 HydrophobicContact CG2-CG2 4.3Å; V960-V963 HydrophobicContact CG1-CG2 3.52Å; V960-L975 HydrophobicContact CG1-CD2 4.11Å; V960-L977 HydrophobicContact CB-CD2 4.29Å; V960-L977 HydrophobicContact CG2-CD2 3.74Å |
| 961 | Q | 93.1 | Very high | 88.8 | Confident | 111 Ų | 111 | 48.9 Ų | 48.9 | 52% | 0.519 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | -34.9 | -178.4 | -173.7 | 63.5 | 30.9 | 0 | 0 | 112.7 | I959 T976 | I959-Q961 PolarHBondContact O-N 3.24Å; I959-Q961 VanDerWaalsContact O-N 3.08Å; Q961-T976 WeakPolarHBondContact CB-O 3.49Å; Q961-T976 PolarHBondContact N-O 2.84Å |
| 962 | D | 93.1 | Very high | 89.1 | Confident | 64 Ų | 64 | 40.1 Ų | 40.1 | 34% | 0.342 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 137.6 | -172.8 | 169.4 | 52.5 | 0 | 0 | 0 | 110 | R974 T976 | D962-R974 IonicContact OD2-CZ 3Å; D962-R974 IonicContact OD2-NH1 3.48Å; D962-R974 PolarHBondContact OD2-NH1 2.98Å; D962-T976 PolarHBondContact O-N 3.01Å; D962-T976 PolarHBondContact OD2-OG1 3.16Å |
| 963 | V | 93.8 | Very high | 89.5 | Confident | 5 Ų | 5 | 39.1 Ų | 39.1 | 3% | 0.03 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 122.6 | 175.6 | -174.4 | 0 | 0 | 0 | 0 | 107.4 | P912 K914 V960 F965 L975 M1170 | P912-V963 HydrophobicContact CG-CG1 4.29Å; K914-V963 HydrophobicContact CB-CG2 4.35Å; V960-V963 HydrophobicContact CG1-CG2 3.52Å; V963-F965 HydrophobicContact CG1-CE2 3.99Å; V963-F965 HydrophobicContact CG1-CZ 4.37Å; V963-L975 HydrophobicContact CB-CD2 4.16Å; V963-L975 HydrophobicContact CG1-CD2 3.9Å; V963-L975 HydrophobicContact CG2-CD2 3.87Å; V963-M1170 HydrophobicContact CB-CE 4.17Å; V963-M1170 HydrophobicContact CB-SD 3.86Å; V963-M1170 HydrophobicContact CG1-CE 4.42Å; V963-M1170 HydrophobicContact CG2-SD 4.25Å |
| 964 | S | 92.8 | Very high | 89.9 | Confident | 22 Ų | 22 | 36.6 Ų | 36.6 | 15% | 0.154 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 156.3 | -177.9 | 56.9 | 0 | 0 | 0 | 0 | 109.9 | R974 | S964-R974 PolarHBondContact N-O 3.4Å; S964-R974 PolarHBondContact O-N 3.4Å; S964-R974 WeakPolarHBondContact OG-CB 3.36Å; S964-R974 WeakPolarHBondContact OG-CD 3.32Å; S964-R974 PolarHBondContact OG-NH1 3.43Å; S964-R974 PolarHBondContact OG-O 3.35Å |
| 965 | F | 92.2 | Very high | 90.3 | Very high | 10 Ų | 10 | 34.2 Ų | 34.2 | 4% | 0.044 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 141 | 178.2 | -66.8 | -94.5 | 0 | 0 | 0 | 110.3 | I900 F911 V963 L972 C973 D1145 Y1146 | I900-F965 HydrophobicContact CD1-CD1 4.14Å; I900-F965 HydrophobicContact CD1-CE1 4.02Å; I900-F965 HydrophobicContact CG1-CE1 4.07Å; F911-F965 HydrophobicContact CZ-CZ 4.18Å; V963-F965 HydrophobicContact CG1-CE2 3.99Å; V963-F965 HydrophobicContact CG1-CZ 4.37Å; F965-L972 CarbonylContact C-O 3.57Å; F965-L972 VanDerWaalsContact CA-O 3.3Å; F965-L972 WeakPolarHBondContact CA-O 3.3Å; F965-C973 HydrophobicContact CD1-CB 4.07Å; F965-C973 HydrophobicContact CE1-CB 3.74Å; F965-C973 HydrophobicContact CZ-CB 4.42Å; F965-D1145 HydrophobicContact CB-CB 3.95Å; F965-D1145 WeakPolarHBondContact O-CB 3.43Å; F965-D1145 VanDerWaalsContact O-OD2 3.12Å; F965-Y1146 HydrophobicContact CD1-CD2 4.34Å; F965-Y1146 HydrophobicContact CD2-CD1 4.47Å; F965-Y1146 AromaticContact CD2-CD2 3.66Å; F965-Y1146 HydrophobicContact CD2-CD2 3.66Å; F965-Y1146 HydrophobicContact CD2-CE2 4.44Å; F965-Y1146 AromaticContact CD2-CG 3.68Å; F965-Y1146 HydrophobicContact CD2-CG 3.68Å; F965-Y1146 HydrophobicContact CE1-CD2 4.06Å; F965-Y1146 HydrophobicContact CE1-CE2 4.41Å; F965-Y1146 HydrophobicContact CE2-CD1 4.27Å; F965-Y1146 AromaticContact CE2-CD2 3.32Å; F965-Y1146 HydrophobicContact CE2-CD2 3.32Å; F965-Y1146 AromaticContact CE2-CE2 3.67Å; F965-Y1146 HydrophobicContact CE2-CE2 3.67Å; F965-Y1146 AromaticContact CE2-CG 3.67Å; F965-Y1146 HydrophobicContact CE2-CG 3.67Å; F965-Y1146 HydrophobicContact CG-CD2 4.16Å; F965-Y1146 HydrophobicContact CG-CG 4.38Å; F965-Y1146 AromaticContact CZ-CD2 3.55Å; F965-Y1146 HydrophobicContact CZ-CD2 3.55Å; F965-Y1146 AromaticContact CZ-CE2 3.65Å; F965-Y1146 HydrophobicContact CZ-CE2 3.65Å; F965-Y1146 HydrophobicContact CZ-CG 4.35Å |
| 966 | E | 87.9 | Confident | 90.4 | Very high | 59 Ų | 59 | 33.5 Ų | 33.5 | 28% | 0.276 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 121.7 | -179.6 | -68.4 | -177.4 | 167.2 | 0 | 0 | 109.4 | L968 L972 R974 R995 | E966-L968 PolarHBondContact O-N 2.9Å; E966-L972 PolarHBondContact N-O 2.78Å; E966-L972 PolarHBondContact O-N 2.89Å; E966-R974 HydrophobicContact CG-CB 4.41Å; E966-R974 WeakPolarHBondContact OE1-CD 3.48Å; E966-R995 IonicContact OE1-CZ 2.65Å; E966-R995 IonicContact OE1-NE 3.32Å; E966-R995 PolarHBondContact OE1-NE 3.12Å; E966-R995 IonicContact OE1-NH2 3.91Å; E966-R995 PolarHBondContact OE1-NH2 3.31Å; E966-R995 IonicContact OE2-CZ 2.73Å; E966-R995 IonicContact OE2-NE 2.68Å; E966-R995 PolarHBondContact OE2-NE 2.79Å; E966-R995 IonicContact OE2-NH2 2.76Å; E966-R995 PolarHBondContact OE2-NH2 2.9Å |
| 967 | V | 84.8 | Confident | 90.6 | Very high | 55 Ų | 55 | 33 Ų | 33 | 33% | 0.333 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 111.5 | 177.4 | -173.8 | 0 | 0 | 0 | 0 | 109.6 | D1145 | V967-D1145 HydrophobicContact CG2-CB 4.03Å |
| 968 | L | 78.1 | Confident | 90.6 | Very high | 91 Ų | 91 | 33.7 Ų | 33.7 | 48% | 0.476 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -117.2 | -147.3 | 167.7 | -57.3 | 178.2 | 0 | 0 | 0 | 108.5 | E966 I970 L972 | E966-L968 PolarHBondContact O-N 2.9Å; L968-I970 CarbonylContact C-O 3.59Å; L968-I970 WeakPolarHBondContact CB-O 3.14Å; L968-I970 PolarHBondContact N-O 2.91Å; L968-I970 PolarHBondContact O-N 3.11Å; L968-L972 HydrophobicContact CD1-CD1 3.69Å; L968-L972 HydrophobicContact CD1-CG 4.32Å |
| 969 | E | 72.7 | Confident | 90.5 | Very high | 123 Ų | 123 | 35.4 Ų | 35.4 | 58% | 0.575 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -65 | -18.3 | 166.3 | -65.2 | -174.5 | -127.1 | 0 | 0 | 112.8 | R893 | R893-E969 IonicContact NH1-OE2 2.7Š|
| 970 | I | 80.2 | Confident | 90.5 | Very high | 29 Ų | 29 | 33.8 Ų | 33.8 | 15% | 0.149 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -134.2 | 152.2 | 168.9 | -59.1 | 179.3 | 0 | 0 | 0 | 107.3 | L937 L968 H997 | L937-I970 HydrophobicContact CB-CD1 3.88Å; L968-I970 CarbonylContact C-O 3.59Å; L968-I970 WeakPolarHBondContact CB-O 3.14Å; L968-I970 PolarHBondContact N-O 2.91Å; L968-I970 PolarHBondContact O-N 3.11Å; I970-H997 HydrophobicContact CG2-CB 4.31Å |
| 971 | R | 88.1 | Confident | 90.2 | Very high | 15 Ų | 15 | 36.5 Ų | 36.5 | 6% | 0.057 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 108.3 | 178.8 | -165.2 | 175.7 | -64.5 | -78 | -0.3 | 109.5 | H894 F896 I900 A1141 I1144 D1145 | H894-R971 PolarHBondContact O-NH2 3.31Å; F896-R971 VanDerWaalsContact CD1-CZ 3.41Å; F896-R971 VanDerWaalsContact CE1-CZ 3.45Å; I900-R971 HydrophobicContact CD1-CB 4.24Å; I900-R971 VanDerWaalsContact CD1-CD 3.5Å; I900-R971 HydrophobicContact CD1-CG 3.79Å; R971-A1141 PolarHBondContact NH2-O 3.38Å; R971-I1144 PolarHBondContact NH1-O 2.99Å; R971-D1145 WeakPolarHBondContact CD-O 3.35Å; R971-D1145 VanDerWaalsContact NH1-C 3.32Å; R971-D1145 PolarHBondContact NH1-O 2.99Å |
| 972 | L | 90.6 | Very high | 90.1 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.016 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 133.2 | -178.2 | -57.1 | -174.3 | 0 | 0 | 0 | 111.3 | Y938 F965 E966 L968 F996 H997 | Y938-L972 HydrophobicContact CD1-CD2 4.15Å; Y938-L972 HydrophobicContact CD2-CD1 3.96Å; Y938-L972 HydrophobicContact CE1-CD2 3.63Å; Y938-L972 HydrophobicContact CE2-CD1 3.46Å; Y938-L972 VanDerWaalsContact CE2-CD1 3.46Å; Y938-L972 HydrophobicContact CE2-CD2 4.05Å; Y938-L972 HydrophobicContact CE2-CG 4.4Å; F965-L972 CarbonylContact C-O 3.57Å; F965-L972 VanDerWaalsContact CA-O 3.3Å; F965-L972 WeakPolarHBondContact CA-O 3.3Å; E966-L972 PolarHBondContact N-O 2.78Å; E966-L972 PolarHBondContact O-N 2.89Å; L968-L972 HydrophobicContact CD1-CD1 3.69Å; L968-L972 HydrophobicContact CD1-CG 4.32Å; L972-F996 CarbonylContact C-O 3.35Å; L972-F996 WeakPolarHBondContact CA-O 3.27Å; L972-H997 HydrophobicContact CD2-CB 4.11Å |
| 973 | C | 93 | Very high | 89.8 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 123.1 | 161.4 | -167.8 | 0 | 0 | 0 | 0 | 109.3 | W899 F965 R995 F996 | W899-C973 HydrophobicContact CH2-CB 3.75Å; W899-C973 HydrophobicContact CZ3-CB 4.18Å; F965-C973 HydrophobicContact CD1-CB 4.07Å; F965-C973 HydrophobicContact CE1-CB 3.74Å; F965-C973 HydrophobicContact CZ-CB 4.42Å; C973-R995 WeakPolarHBondContact O-CA 3.27Å; C973-F996 HydrophobicContact CB-CD1 4.35Å; C973-F996 HydrophobicContact CB-CE1 4.07Å; C973-F996 PolarHBondContact N-O 3.2Å; C973-F996 PolarHBondContact O-N 3.44Å |
| 974 | R | 95 | Very high | 89.3 | Confident | 50 Ų | 50 | 46.2 Ų | 46.2 | 19% | 0.189 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 113.8 | 173.4 | 174.3 | -164.9 | 162.1 | -80.1 | -13.6 | 108.6 | D962 S964 E966 T976 V993 V994 R995 | D962-R974 IonicContact OD2-CZ 3Å; D962-R974 IonicContact OD2-NH1 3.48Å; D962-R974 PolarHBondContact OD2-NH1 2.98Å; S964-R974 PolarHBondContact N-O 3.4Å; S964-R974 PolarHBondContact O-N 3.4Å; S964-R974 WeakPolarHBondContact OG-CB 3.36Å; S964-R974 WeakPolarHBondContact OG-CD 3.32Å; S964-R974 PolarHBondContact OG-NH1 3.43Å; S964-R974 PolarHBondContact OG-O 3.35Å; E966-R974 HydrophobicContact CG-CB 4.41Å; E966-R974 WeakPolarHBondContact OE1-CD 3.48Å; R974-T976 PolarHBondContact NH1-OG1 2.75Å; R974-T976 PolarHBondContact NH2-OG1 3.12Å; R974-V993 HydrophobicContact CG-CG1 3.71Å; R974-V994 WeakPolarHBondContact CA-O 3.48Å; R974-R995 HydrophobicContact CB-CG 4.08Å; R974-R995 HydrophobicContact CG-CG 4.12Å |
| 975 | L | 95.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 138.5 | 174 | -58.2 | -175.2 | 0 | 0 | 0 | 111 | P912 V960 V963 L977 V993 V994 F996 I1006 | P912-L975 HydrophobicContact CB-CD1 3.79Å; P912-L975 HydrophobicContact CB-CD2 3.65Å; P912-L975 HydrophobicContact CB-CG 4.34Å; P912-L975 HydrophobicContact CG-CD1 4.21Å; P912-L975 HydrophobicContact CG-CD2 3.73Å; P912-L975 HydrophobicContact CG-CG 4.43Å; V960-L975 HydrophobicContact CG1-CD2 4.11Å; V963-L975 HydrophobicContact CB-CD2 4.16Å; V963-L975 HydrophobicContact CG1-CD2 3.9Å; V963-L975 HydrophobicContact CG2-CD2 3.87Å; L975-L977 HydrophobicContact CB-CD2 4.05Å; L975-L977 HydrophobicContact CB-CG 4.28Å; L975-L977 HydrophobicContact CD1-CD2 4.31Å; L975-V993 VanDerWaalsContact O-CA 3.31Å; L975-V993 WeakPolarHBondContact O-CA 3.48Å; L975-V994 PolarHBondContact N-O 2.89Å; L975-V994 PolarHBondContact O-N 3.16Å; L975-F996 HydrophobicContact CD1-CE1 3.8Å; L975-F996 HydrophobicContact CD1-CZ 4.46Å; L975-F996 HydrophobicContact CG-CE1 4.05Å; L975-I1006 HydrophobicContact CD1-CD1 3.82Å |
| 976 | T | 95.7 | Very high | 88.4 | Confident | 9 Ų | 9 | 48.7 Ų | 48.7 | 6% | 0.055 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 116.4 | 161.8 | -44.3 | 0 | 0 | 0 | 0 | 107.8 | Q961 D962 R974 Q991 V993 | Q961-T976 WeakPolarHBondContact CB-O 3.49Å; Q961-T976 PolarHBondContact N-O 2.84Å; D962-T976 PolarHBondContact O-N 3.01Å; D962-T976 PolarHBondContact OD2-OG1 3.16Å; R974-T976 PolarHBondContact NH1-OG1 2.75Å; R974-T976 PolarHBondContact NH2-OG1 3.12Å; T976-Q991 VanDerWaalsContact CG2-OE1 3.32Å; T976-V993 HydrophobicContact CG2-CG2 4.43Å |
| 977 | L | 95.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 119.3 | -177 | -60.8 | -174.7 | 0 | 0 | 0 | 109.7 | V918 Y920 A958 I959 V960 L975 Q991 F992 V994 I1006 | V918-L977 HydrophobicContact CG2-CD2 4.36Å; Y920-L977 HydrophobicContact CD2-CD1 4.42Å; A958-L977 HydrophobicContact CB-CB 4.07Å; I959-L977 WeakPolarHBondContact O-CA 3.39Å; V960-L977 HydrophobicContact CB-CD2 4.29Å; V960-L977 HydrophobicContact CG2-CD2 3.74Å; L975-L977 HydrophobicContact CB-CD2 4.05Å; L975-L977 HydrophobicContact CB-CG 4.28Å; L975-L977 HydrophobicContact CD1-CD2 4.31Å; L977-Q991 CarbonylContact O-C 3.59Å; L977-Q991 VanDerWaalsContact O-CA 3.24Å; L977-Q991 WeakPolarHBondContact O-CA 3.25Å; L977-F992 HydrophobicContact CB-CD1 4.15Å; L977-F992 HydrophobicContact CB-CD2 4.5Å; L977-F992 HydrophobicContact CB-CE1 3.88Å; L977-F992 HydrophobicContact CB-CE2 4.28Å; L977-F992 HydrophobicContact CB-CG 4.45Å; L977-F992 HydrophobicContact CB-CZ 3.97Å; L977-F992 HydrophobicContact CD1-CE1 4.46Å; L977-F992 HydrophobicContact CD1-CE2 3.73Å; L977-F992 HydrophobicContact CD1-CZ 3.71Å; L977-F992 HydrophobicContact CG-CZ 4.46Å; L977-F992 PolarHBondContact N-O 2.95Å; L977-F992 PolarHBondContact O-N 2.95Å; L977-V994 HydrophobicContact CD1-CG2 3.81Å; L977-I1006 HydrophobicContact CD1-CD1 4.28Å |
| 978 | T | 95.3 | Very high | 88.3 | Confident | 23 Ų | 23 | 51.4 Ų | 51.4 | 14% | 0.141 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 123.8 | 171.1 | -57.1 | 0 | 0 | 0 | 0 | 108.1 | A958 I959 P987 | A958-T978 CarbonylContact C-O 3.59Å; A958-T978 WeakPolarHBondContact CA-O 3.33Å; A958-T978 WeakPolarHBondContact CB-O 3.49Å; I959-T978 PolarHBondContact N-O 2.83Å; I959-T978 PolarHBondContact O-N 3.09Å; T978-P987 HydrophobicContact CG2-CB 4.07Å |
| 979 | R | 94.3 | Very high | 88.3 | Confident | 35 Ų | 35 | 56 Ų | 56 | 13% | 0.132 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 147.7 | 178.2 | -69.3 | 164.1 | 71.6 | -169.5 | 29.3 | 110.1 | E951 E956 F957 L988 S990 F992 | E951-R979 PolarHBondContact O-NH2 2.88Å; E951-R979 VanDerWaalsContact O-NH2 3.08Å; E956-R979 IonicContact OE1-CZ 3.95Å; E956-R979 IonicContact OE1-NE 3.29Å; E956-R979 IonicContact OE1-NH2 2.81Å; E956-R979 PolarHBondContact OE1-NH2 3.34Å; E956-R979 IonicContact OE2-CZ 3.19Å; E956-R979 IonicContact OE2-NE 3.07Å; E956-R979 PolarHBondContact OE2-NE 2.71Å; E956-R979 IonicContact OE2-NH2 3.06Å; E956-R979 PolarHBondContact OE2-NH2 3.22Å; F957-R979 CarbonylContact O-C 3.59Å; F957-R979 WeakPolarHBondContact O-CA 3.38Å; R979-L988 HydrophobicContact CB-CB 4.2Å; R979-L988 HydrophobicContact CB-CD1 4.08Å; R979-L988 PolarHBondContact O-N 2.92Å; R979-S990 WeakPolarHBondContact CD-OG 3.27Å; R979-S990 PolarHBondContact N-O 2.95Å; R979-S990 PolarHBondContact NH1-OG 2.76Å; R979-F992 HydrophobicContact CG-CD1 3.92Å; R979-F992 HydrophobicContact CG-CE1 3.68Å |
| 980 | V | 93.8 | Very high | 89.1 | Confident | 6 Ų | 6 | 51.5 Ų | 51.5 | 4% | 0.036 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 154.7 | 175.6 | -56.4 | 0 | 0 | 0 | 0 | 110.6 | F957 I959 S986 | F957-V980 HydrophobicContact CB-CG2 3.81Å; F957-V980 PolarHBondContact O-N 2.96Å; I959-V980 HydrophobicContact CB-CG1 4.36Å; I959-V980 HydrophobicContact CD1-CG1 3.74Å; I959-V980 HydrophobicContact CG1-CG1 3.76Å; V980-S986 CarbonylContact C-O 3.54Å; V980-S986 VanDerWaalsContact CA-O 3.27Å; V980-S986 WeakPolarHBondContact CA-O 3.38Å |
| 981 | D | 89.2 | Confident | 89.6 | Confident | 56 Ų | 56 | 56.2 Ų | 56.2 | 30% | 0.299 | 29% | 0.294 | S | S | . | . | trans | -65 | 141.9 | 170 | 168.1 | 58.6 | 0 | 0 | 0 | 111.8 | Q983 T984 S985 S986 | D981-Q983 VanDerWaalsContact C-N 3.32Å; D981-Q983 PolarHBondContact O-N 3.27Å; D981-Q983 PolarHBondContact OD2-N 3.5Å; D981-T984 WeakPolarHBondContact CB-OG1 3.2Å; D981-T984 WeakPolarHBondContact OD2-CB 3.3Å; D981-T984 PolarHBondContact OD2-N 2.61Å; D981-T984 PolarHBondContact OD2-OG1 2.82Å; D981-S985 WeakPolarHBondContact O-CA 3.36Å; D981-S985 PolarHBondContact O-N 3.49Å; D981-S985 VanDerWaalsContact O-N 3.1Å; D981-S986 PolarHBondContact N-O 3.46Å | ||
| 982 | R | 90.1 | Very high | 89.9 | Confident | 113 Ų | 113 | 55.9 Ų | 55.9 | 43% | 0.426 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -31.1 | -176.1 | -177.7 | 171.3 | -179.2 | 133.6 | 10.3 | 112.7 | E955 F957 R1009 Y1012 | E955-R982 IonicContact OE2-CZ 3.84Å; E955-R982 IonicContact OE2-NH1 3.99Å; E955-R982 PolarHBondContact OE2-NH1 3.41Å; E955-R982 IonicContact OE2-NH2 3.48Å; F957-R982 HydrophobicContact CD1-CG 4.37Å; F957-R982 HydrophobicContact CD2-CB 4Å; F957-R982 HydrophobicContact CD2-CG 3.93Å; F957-R982 HydrophobicContact CE1-CG 4.09Å; F957-R982 HydrophobicContact CE2-CB 4.24Å; F957-R982 HydrophobicContact CE2-CG 3.66Å; F957-R982 HydrophobicContact CG-CB 4.29Å; F957-R982 HydrophobicContact CG-CG 4.31Å; F957-R982 HydrophobicContact CZ-CG 3.75Å; R982-R1009 PolarHBondContact O-NH1 2.86Å; R982-R1009 PolarHBondContact O-NH2 3.19Å; R982-Y1012 PolarHBondContact NH1-OH 2.86Å; R982-Y1012 PolarHBondContact NH2-OH 2.97Å |
| 983 | Q | 86.1 | Confident | 90 | Very high | 176 Ų | 176 | 57.8 Ų | 57.8 | 82% | 0.822 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -45 | -175.8 | -60.4 | -168 | 15 | 0 | 0 | 112.9 | D981 | D981-Q983 VanDerWaalsContact C-N 3.32Å; D981-Q983 PolarHBondContact O-N 3.27Å; D981-Q983 PolarHBondContact OD2-N 3.5Å |
| 984 | T | 84.3 | Confident | 90 | Very high | 95 Ų | 95 | 57.8 Ų | 57.8 | 58% | 0.583 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -15.9 | -172 | 60.8 | 0 | 0 | 0 | 0 | 114.2 | D981 S986 | D981-T984 WeakPolarHBondContact CB-OG1 3.2Å; D981-T984 WeakPolarHBondContact OD2-CB 3.3Å; D981-T984 PolarHBondContact OD2-N 2.61Å; D981-T984 PolarHBondContact OD2-OG1 2.82Å; T984-S986 PolarHBondContact O-N 2.83Å; T984-S986 PolarHBondContact OG1-N 3.04Å; T984-S986 PolarHBondContact OG1-OG 3.09Å; T984-S986 VanDerWaalsContact OG1-OG 3.05Å |
| 985 | S | 80.4 | Confident | 89.9 | Confident | 28 Ų | 28 | 59 Ų | 59 | 20% | 0.196 | 31% | 0.309 | C | S | . | . | trans | 57.3 | 13.9 | -166.4 | -62.4 | 0 | 0 | 0 | 0 | 114.7 | D981 R1009 | D981-S985 WeakPolarHBondContact O-CA 3.36Å; D981-S985 PolarHBondContact O-N 3.49Å; D981-S985 VanDerWaalsContact O-N 3.1Å; S985-R1009 PolarHBondContact OG-NH1 3.19Å | ||
| 986 | S | 85.9 | Confident | 89.8 | Confident | 57 Ų | 57 | 59.5 Ų | 59.5 | 40% | 0.399 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 136 | 176.4 | 65.4 | 0 | 0 | 0 | 0 | 110.7 | V980 D981 T984 | V980-S986 CarbonylContact C-O 3.54Å; V980-S986 VanDerWaalsContact CA-O 3.27Å; V980-S986 WeakPolarHBondContact CA-O 3.38Å; D981-S986 PolarHBondContact N-O 3.46Å; T984-S986 PolarHBondContact O-N 2.83Å; T984-S986 PolarHBondContact OG1-N 3.04Å; T984-S986 PolarHBondContact OG1-OG 3.09Å; T984-S986 VanDerWaalsContact OG1-OG 3.05Å |
| 987 | P | 84.9 | Confident | 89.6 | Confident | 96 Ų | 96 | 59.5 Ų | 59.5 | 62% | 0.623 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 138.6 | 176.6 | 26.7 | -34.2 | 0 | 0 | 0 | 111.8 | T978 | T978-P987 HydrophobicContact CG2-CB 4.07Å |
| 988 | L | 85.2 | Confident | 89.2 | Confident | 75 Ų | 75 | 62.1 Ų | 62.1 | 39% | 0.393 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 147.4 | 170.3 | -61.5 | 168.2 | 0 | 0 | 0 | 108.2 | R979 S990 | R979-L988 HydrophobicContact CB-CB 4.2Å; R979-L988 HydrophobicContact CB-CD1 4.08Å; R979-L988 PolarHBondContact O-N 2.92Å; L988-S990 PolarHBondContact O-N 2.8Å |
| 989 | D | 78.2 | Confident | 88.6 | Confident | 188 Ų | 188 | 61.8 Ų | 61.8 | 100% | 1.005 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 31.4 | -178.6 | -88.4 | -26 | 0 | 0 | 0 | 114.5 | ||
| 990 | S | 88.6 | Confident | 87.8 | Confident | 27 Ų | 27 | 64.2 Ų | 64.2 | 19% | 0.189 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 123.6 | 174.4 | 52.4 | 0 | 0 | 0 | 0 | 112 | R979 L988 | R979-S990 WeakPolarHBondContact CD-OG 3.27Å; R979-S990 PolarHBondContact N-O 2.95Å; R979-S990 PolarHBondContact NH1-OG 2.76Å; L988-S990 PolarHBondContact O-N 2.8Å |
| 991 | Q | 92.2 | Very high | 86.8 | Confident | 129 Ų | 129 | 69.4 Ų | 69.4 | 60% | 0.603 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 145.4 | 176.4 | 56.8 | 172.8 | -38.6 | 0 | 0 | 110.4 | L950 T976 L977 | L950-Q991 WeakPolarHBondContact CD1-O 3.31Å; T976-Q991 VanDerWaalsContact CG2-OE1 3.32Å; L977-Q991 CarbonylContact O-C 3.59Å; L977-Q991 VanDerWaalsContact O-CA 3.24Å; L977-Q991 WeakPolarHBondContact O-CA 3.25Å |
| 992 | F | 93.4 | Very high | 86.5 | Confident | 7 Ų | 7 | 68.8 Ų | 68.8 | 3% | 0.031 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 162.9 | 176.2 | 66.9 | -80.7 | 0 | 0 | 0 | 111.6 | Y920 P946 L950 L952 A958 L977 R979 V994 | Y920-F992 HydrophobicContact CD1-CE2 4.02Å; Y920-F992 AromaticContact CD1-CZ 3.87Å; Y920-F992 HydrophobicContact CD1-CZ 3.87Å; Y920-F992 AromaticContact CD2-CE2 3.93Å; Y920-F992 HydrophobicContact CD2-CE2 3.93Å; Y920-F992 HydrophobicContact CD2-CZ 4.26Å; Y920-F992 HydrophobicContact CE1-CE2 4.08Å; Y920-F992 HydrophobicContact CE1-CZ 4.33Å; Y920-F992 AromaticContact CE2-CE2 3.99Å; Y920-F992 HydrophobicContact CE2-CE2 3.99Å; Y920-F992 AromaticContact CG-CE2 3.93Å; Y920-F992 HydrophobicContact CG-CE2 3.93Å; Y920-F992 AromaticContact CG-CZ 3.82Å; Y920-F992 HydrophobicContact CG-CZ 3.82Å; P946-F992 HydrophobicContact CB-CB 3.81Å; P946-F992 HydrophobicContact CB-CD2 3.63Å; P946-F992 HydrophobicContact CB-CG 4.14Å; P946-F992 HydrophobicContact CG-CD2 4.05Å; L950-F992 HydrophobicContact CD1-CB 3.85Å; L952-F992 HydrophobicContact CD1-CD2 4.21Å; L952-F992 HydrophobicContact CD1-CE2 4.27Å; L952-F992 HydrophobicContact CD1-CG 4.48Å; L952-F992 HydrophobicContact CD2-CD1 4.25Å; L952-F992 HydrophobicContact CD2-CE1 4.38Å; A958-F992 HydrophobicContact CB-CE1 4.5Å; L977-F992 HydrophobicContact CB-CD1 4.15Å; L977-F992 HydrophobicContact CB-CD2 4.5Å; L977-F992 HydrophobicContact CB-CE1 3.88Å; L977-F992 HydrophobicContact CB-CE2 4.28Å; L977-F992 HydrophobicContact CB-CG 4.45Å; L977-F992 HydrophobicContact CB-CZ 3.97Å; L977-F992 HydrophobicContact CD1-CE1 4.46Å; L977-F992 HydrophobicContact CD1-CE2 3.73Å; L977-F992 HydrophobicContact CD1-CZ 3.71Å; L977-F992 HydrophobicContact CG-CZ 4.46Å; L977-F992 PolarHBondContact N-O 2.95Å; L977-F992 PolarHBondContact O-N 2.95Å; R979-F992 HydrophobicContact CG-CD1 3.92Å; R979-F992 HydrophobicContact CG-CE1 3.68Å; F992-V994 HydrophobicContact CD2-CG2 3.93Å; F992-V994 HydrophobicContact CE2-CG2 3.72Å |
| 993 | V | 93.6 | Very high | 86.2 | Confident | 43 Ų | 43 | 65.5 Ų | 65.5 | 26% | 0.261 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 127.4 | -177.9 | 177.7 | 0 | 0 | 0 | 0 | 109.4 | R974 L975 T976 | R974-V993 HydrophobicContact CG-CG1 3.71Å; L975-V993 VanDerWaalsContact O-CA 3.31Å; L975-V993 WeakPolarHBondContact O-CA 3.48Å; T976-V993 HydrophobicContact CG2-CG2 4.43Å |
| 994 | V | 93.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 143.4 | 171.6 | 178 | 0 | 0 | 0 | 0 | 108.7 | Y920 R974 L975 L977 F992 F996 F1005 I1006 | Y920-V994 HydrophobicContact CD2-CG2 4.06Å; Y920-V994 HydrophobicContact CE2-CG2 3.79Å; R974-V994 WeakPolarHBondContact CA-O 3.48Å; L975-V994 PolarHBondContact N-O 2.89Å; L975-V994 PolarHBondContact O-N 3.16Å; L977-V994 HydrophobicContact CD1-CG2 3.81Å; F992-V994 HydrophobicContact CD2-CG2 3.93Å; F992-V994 HydrophobicContact CE2-CG2 3.72Å; V994-F996 HydrophobicContact CG1-CD1 4.15Å; V994-F1005 HydrophobicContact CG1-CE2 3.85Å; V994-F1005 HydrophobicContact CG1-CZ 4.18Å; V994-I1006 HydrophobicContact CB-CD1 4.49Å; V994-I1006 HydrophobicContact CG1-CD1 4.13Å |
| 995 | R | 93.1 | Very high | 86.7 | Confident | 77 Ų | 77 | 54 Ų | 54 | 29% | 0.291 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 119.7 | 173.3 | -75.8 | -177.1 | 173 | 84.2 | -0.3 | 109.7 | E966 C973 R974 | E966-R995 IonicContact OE1-CZ 2.65Å; E966-R995 IonicContact OE1-NE 3.32Å; E966-R995 PolarHBondContact OE1-NE 3.12Å; E966-R995 IonicContact OE1-NH2 3.91Å; E966-R995 PolarHBondContact OE1-NH2 3.31Å; E966-R995 IonicContact OE2-CZ 2.73Å; E966-R995 IonicContact OE2-NE 2.68Å; E966-R995 PolarHBondContact OE2-NE 2.79Å; E966-R995 IonicContact OE2-NH2 2.76Å; E966-R995 PolarHBondContact OE2-NH2 2.9Å; C973-R995 WeakPolarHBondContact O-CA 3.27Å; R974-R995 HydrophobicContact CB-CG 4.08Å; R974-R995 HydrophobicContact CG-CG 4.12Å |
| 996 | F | 92.9 | Very high | 87.3 | Confident | 9 Ų | 9 | 52.8 Ų | 52.8 | 4% | 0.039 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 172.5 | -178.6 | 75.4 | -69 | 0 | 0 | 0 | 111 | W899 P912 Y928 L972 C973 L975 V994 F1005 I1006 | W899-F996 HydrophobicContact CH2-CD2 4.26Å; W899-F996 AromaticContact CH2-CE2 3.66Å; W899-F996 HydrophobicContact CH2-CE2 3.66Å; W899-F996 AromaticContact CH2-CZ 3.87Å; W899-F996 HydrophobicContact CH2-CZ 3.87Å; W899-F996 AromaticContact CZ2-CE2 3.69Å; W899-F996 HydrophobicContact CZ2-CE2 3.69Å; W899-F996 AromaticContact CZ2-CZ 3.92Å; W899-F996 HydrophobicContact CZ2-CZ 3.92Å; P912-F996 HydrophobicContact CG-CZ 4.38Å; Y928-F996 HydrophobicContact CD1-CB 4.32Å; Y928-F996 HydrophobicContact CE1-CB 3.73Å; Y928-F996 HydrophobicContact CE2-CB 4.18Å; Y928-F996 WeakPolarHBondContact OH-CA 3.33Å; L972-F996 CarbonylContact C-O 3.35Å; L972-F996 WeakPolarHBondContact CA-O 3.27Å; C973-F996 HydrophobicContact CB-CD1 4.35Å; C973-F996 HydrophobicContact CB-CE1 4.07Å; C973-F996 PolarHBondContact N-O 3.2Å; C973-F996 PolarHBondContact O-N 3.44Å; L975-F996 HydrophobicContact CD1-CE1 3.8Å; L975-F996 HydrophobicContact CD1-CZ 4.46Å; L975-F996 HydrophobicContact CG-CE1 4.05Å; V994-F996 HydrophobicContact CG1-CD1 4.15Å; F996-F1005 HydrophobicContact CB-CE1 4.34Å; F996-F1005 HydrophobicContact CB-CZ 3.89Å; F996-F1005 HydrophobicContact CG-CZ 4.18Å; F996-I1006 HydrophobicContact CE1-CD1 4.41Å |
| 997 | H | 91.1 | Very high | 87.7 | Confident | 9 Ų | 9 | 50.3 Ų | 50.3 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | trans | -143 | 156.4 | 164 | 69.5 | -76.7 | 0 | 0 | 0 | 107.3 | Y928 Y938 I970 L972 M999 | Y928-H997 VanDerWaalsContact CE2-O 3.3Å; Y928-H997 WeakPolarHBondContact CE2-O 3.33Å; Y928-H997 PolarHBondContact OH-N 3.2Å; Y928-H997 PolarHBondContact OH-ND1 3.04Å; Y928-H997 PolarHBondContact OH-O 3.15Å; Y938-H997 AromaticContact CE1-CE1 3.68Å; Y938-H997 AromaticContact CE1-ND1 3.61Å; I970-H997 HydrophobicContact CG2-CB 4.31Å; L972-H997 HydrophobicContact CD2-CB 4.11Å; H997-M999 PolarHBondContact CE1-SD 2.8Å; H997-M999 WeakPolarHBondContact NE2-CG 3.49Å; H997-M999 PolarHBondContact O-N 3.48Å | ||
| 998 | D | 86.9 | Confident | 88.1 | Confident | 55 Ų | 55 | 46 Ų | 46 | 29% | 0.294 | 25% | 0.245 | S | C | . | . | trans | -55.3 | 133.2 | 171.6 | 170.4 | 41.7 | 0 | 0 | 0 | 111.7 | W899 P909 | W899-D998 HydrophobicContact CB-CB 3.89Å; W899-D998 HydrophobicContact CD2-CB 3.52Å; W899-D998 HydrophobicContact CE3-CB 3.66Å; W899-D998 HydrophobicContact CG-CB 3.64Å; W899-D998 HydrophobicContact CZ3-CB 4.35Å; P909-D998 HydrophobicContact CG-CB 4.42Å; P909-D998 WeakPolarHBondContact CG-OD1 3.41Å | ||
| 999 | M | 83.9 | Confident | 88.5 | Confident | 17 Ų | 17 | 43.7 Ų | 43.7 | 8% | 0.084 | 23% | 0.231 | C | C | . | . | trans | -140.4 | 119.9 | -178.5 | -67 | -168.1 | -21.4 | 0 | 0 | 110 | Y928 A931 V932 L937 H997 V1002 | Y928-M999 HydrophobicContact CD2-CE 3.72Å; Y928-M999 HydrophobicContact CD2-SD 4.37Å; Y928-M999 HydrophobicContact CE2-CE 3.54Å; Y928-M999 HydrophobicContact CE2-CG 3.91Å; Y928-M999 HydrophobicContact CE2-SD 3.58Å; Y928-M999 VanDerWaalsContact CE2-SD 3.58Å; A931-M999 HydrophobicContact CB-CE 3.66Å; V932-M999 HydrophobicContact CG2-CE 3.87Å; V932-M999 HydrophobicContact CG2-SD 3.54Å; V932-M999 VanDerWaalsContact CG2-SD 3.54Å; L937-M999 HydrophobicContact CD1-CG 4.46Å; L937-M999 HydrophobicContact CD1-SD 3.44Å; L937-M999 WeakPolarHBondContact CD1-SD 3.36Å; H997-M999 PolarHBondContact CE1-SD 2.8Å; H997-M999 WeakPolarHBondContact NE2-CG 3.49Å; H997-M999 PolarHBondContact O-N 3.48Å; M999-V1002 HydrophobicContact CB-CB 4.31Å; M999-V1002 HydrophobicContact CB-CG2 4.22Å; M999-V1002 HydrophobicContact CE-CB 4.31Å; M999-V1002 HydrophobicContact CE-CG1 4.49Å; M999-V1002 HydrophobicContact CE-CG2 3.69Å; M999-V1002 PolarHBondContact O-N 3.36Å | ||
| 1000 | P | 77.1 | Confident | 89.1 | Confident | 85 Ų | 85 | 37.2 Ų | 37.2 | 55% | 0.552 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 141.7 | 178.5 | -28.7 | 35.6 | 0 | 0 | 0 | 112.8 | V1002 | P1000-V1002 PolarHBondContact O-N 2.9Š|
| 1001 | N | 72.6 | Confident | 89.3 | Confident | 115 Ų | 115 | 36.4 Ų | 36.4 | 62% | 0.615 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 11.7 | -179.2 | -22.9 | -102 | 0 | 0 | 0 | 115.4 | K1479 | N1001-K1479 PolarHBondContact OD1-NZ 2.85Š|
| 1002 | V | 82.3 | Confident | 89.3 | Confident | 44 Ų | 44 | 30.3 Ų | 30.3 | 27% | 0.267 | 16% | 0.159 | S | C | . | . | trans | -106.9 | 121.2 | 170.9 | -179.5 | 0 | 0 | 0 | 0 | 110 | Y928 A931 M999 P1000 | Y928-V1002 HydrophobicContact CD2-CG1 4.11Å; A931-V1002 HydrophobicContact CB-CG2 3.79Å; M999-V1002 HydrophobicContact CB-CB 4.31Å; M999-V1002 HydrophobicContact CB-CG2 4.22Å; M999-V1002 HydrophobicContact CE-CB 4.31Å; M999-V1002 HydrophobicContact CE-CG1 4.49Å; M999-V1002 HydrophobicContact CE-CG2 3.69Å; M999-V1002 PolarHBondContact O-N 3.36Å; P1000-V1002 PolarHBondContact O-N 2.9Å | ||
| 1003 | V | 84.6 | Confident | 89.2 | Confident | 43 Ų | 43 | 31.9 Ų | 31.9 | 26% | 0.261 | 17% | 0.168 | S | C | . | . | trans | -66.1 | 144 | -177 | -68.2 | 0 | 0 | 0 | 0 | 112.9 | F1005 F1054 | V1003-F1005 PolarHBondContact O-N 3.01Å; V1003-F1054 HydrophobicContact CG2-CE2 3.97Å; V1003-F1054 HydrophobicContact CG2-CZ 3.55Å | ||
| 1004 | D | 87.3 | Confident | 89 | Confident | 24 Ų | 24 | 33 Ų | 33 | 13% | 0.128 | 18% | 0.175 | C | C | . | . | trans | -62.4 | 127.6 | 176.8 | -92 | -41.2 | 0 | 0 | 0 | 111.6 | F908 P909 Y910 | F908-D1004 HydrophobicContact CD1-CB 4.49Å; F908-D1004 WeakPolarHBondContact CD1-OD2 3.4Å; P909-D1004 VanDerWaalsContact CA-OD2 3.3Å; P909-D1004 WeakPolarHBondContact CA-OD2 3.46Å; Y910-D1004 PolarHBondContact N-OD1 3.13Å; Y910-D1004 PolarHBondContact N-OD2 2.83Å | ||
| 1005 | F | 92.4 | Very high | 88.9 | Confident | 5 Ų | 5 | 33 Ų | 33 | 2% | 0.022 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -110.6 | 6.1 | 178 | 65.8 | -91.4 | 0 | 0 | 0 | 113 | Y920 F921 H925 Y928 V994 F996 V1003 | Y920-F1005 WeakPolarHBondContact CA-O 3.46Å; Y920-F1005 HydrophobicContact CD2-CD2 4.26Å; Y920-F1005 HydrophobicContact CE2-CD2 4.12Å; Y920-F1005 HydrophobicContact CE2-CE2 4.22Å; F921-F1005 HydrophobicContact CB-CB 4.48Å; F921-F1005 PolarHBondContact N-O 3.32Å; H925-F1005 HydrophobicContact CB-CD2 3.42Å; H925-F1005 VanDerWaalsContact CB-CD2 3.42Å; H925-F1005 HydrophobicContact CB-CE2 3.56Å; H925-F1005 HydrophobicContact CB-CG 4.05Å; H925-F1005 HydrophobicContact CB-CZ 4.31Å; H925-F1005 AromaticContact CD2-CE2 3.41Å; H925-F1005 VanDerWaalsContact CD2-CE2 3.41Å; H925-F1005 WeakPolarHBondContact CD2-CE2 3.32Å; H925-F1005 AromaticContact CD2-CZ 3.49Å; H925-F1005 VanDerWaalsContact CD2-CZ 3.49Å; H925-F1005 WeakPolarHBondContact CD2-CZ 3.43Å; H925-F1005 AromaticContact CG-CD2 3.84Å; H925-F1005 AromaticContact CG-CE2 3.39Å; H925-F1005 AromaticContact CG-CZ 3.97Å; Y928-F1005 VanDerWaalsContact CB-CE1 3.49Å; Y928-F1005 HydrophobicContact CD1-CE1 4.05Å; Y928-F1005 HydrophobicContact CD1-CZ 4.15Å; Y928-F1005 AromaticContact CD2-CE1 3.79Å; Y928-F1005 HydrophobicContact CD2-CE1 3.79Å; Y928-F1005 HydrophobicContact CG-CD1 4.3Å; Y928-F1005 AromaticContact CG-CE1 3.47Å; Y928-F1005 HydrophobicContact CG-CE1 3.47Å; Y928-F1005 VanDerWaalsContact CG-CE1 3.47Å; Y928-F1005 HydrophobicContact CG-CZ 4.04Å; V994-F1005 HydrophobicContact CG1-CE2 3.85Å; V994-F1005 HydrophobicContact CG1-CZ 4.18Å; F996-F1005 HydrophobicContact CB-CE1 4.34Å; F996-F1005 HydrophobicContact CB-CZ 3.89Å; F996-F1005 HydrophobicContact CG-CZ 4.18Å; V1003-F1005 PolarHBondContact O-N 3.01Å |
| 1006 | I | 94.8 | Very high | 88.7 | Confident | 3 Ų | 3 | 31.3 Ų | 31.3 | 2% | 0.015 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 118.5 | 166 | -56.6 | 178.8 | 0 | 0 | 0 | 106.7 | Y910 V918 V919 Y920 L975 L977 V994 F996 | Y910-I1006 WeakPolarHBondContact CB-O 3.46Å; Y910-I1006 HydrophobicContact CD1-CB 3.83Å; Y910-I1006 HydrophobicContact CD1-CG2 3.82Å; Y910-I1006 WeakPolarHBondContact CD1-O 3.4Å; Y910-I1006 HydrophobicContact CE1-CB 3.95Å; Y910-I1006 HydrophobicContact CE1-CG2 3.42Å; Y910-I1006 VanDerWaalsContact CE1-CG2 3.42Å; V918-I1006 HydrophobicContact CB-CG2 3.67Å; V918-I1006 HydrophobicContact CG1-CG2 3.73Å; V918-I1006 HydrophobicContact CG2-CG2 3.88Å; V919-I1006 WeakPolarHBondContact O-CA 3.1Å; Y920-I1006 HydrophobicContact CD2-CG1 4.14Å; L975-I1006 HydrophobicContact CD1-CD1 3.82Å; L977-I1006 HydrophobicContact CD1-CD1 4.28Å; V994-I1006 HydrophobicContact CB-CD1 4.49Å; V994-I1006 HydrophobicContact CG1-CD1 4.13Å; F996-I1006 HydrophobicContact CE1-CD1 4.41Å |
| 1007 | V | 92.8 | Very high | 88.6 | Confident | 5 Ų | 5 | 39.9 Ų | 39.9 | 3% | 0.03 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 134.9 | -171.7 | -177.3 | 0 | 0 | 0 | 0 | 108.9 | V918 V919 F921 R1009 W1072 | V918-V1007 CarbonylContact C-O 3.38Å; V918-V1007 VanDerWaalsContact CA-O 3.22Å; V918-V1007 WeakPolarHBondContact CA-O 3.47Å; V919-V1007 PolarHBondContact N-O 3.21Å; V919-V1007 PolarHBondContact O-N 2.86Å; F921-V1007 HydrophobicContact CD2-CG2 4.15Å; F921-V1007 HydrophobicContact CE2-CB 4.14Å; F921-V1007 HydrophobicContact CE2-CG2 3.74Å; V1007-R1009 PolarHBondContact O-N 2.81Å; V1007-W1072 HydrophobicContact CG1-CB 4.25Å; V1007-W1072 HydrophobicContact CG1-CD2 4.09Å; V1007-W1072 HydrophobicContact CG1-CG 3.76Å; V1007-W1072 HydrophobicContact CG2-CD2 4.3Å; V1007-W1072 HydrophobicContact CG2-CG 4.41Å; V1007-W1072 HydrophobicContact CG2-CZ2 4.14Å |
| 1008 | L | 93.4 | Very high | 88.4 | Confident | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 126.9 | 174.4 | -75.7 | 168 | 0 | 0 | 0 | 110.2 | Y910 D916 V918 Q1010 Y1011 Y1012 Y1093 | Y910-L1008 HydrophobicContact CD2-CG 4.17Å; Y910-L1008 HydrophobicContact CE2-CD1 4.4Å; Y910-L1008 HydrophobicContact CE2-CD2 3.89Å; Y910-L1008 HydrophobicContact CE2-CG 3.78Å; D916-L1008 HydrophobicContact CB-CD2 3.86Å; V918-L1008 HydrophobicContact CG1-CD2 4.39Å; L1008-Q1010 PolarHBondContact O-N 3.03Å; L1008-Q1010 VanDerWaalsContact O-N 3.08Å; L1008-Y1011 HydrophobicContact CB-CD2 4.05Å; L1008-Y1011 HydrophobicContact CB-CE2 4.3Å; L1008-Y1011 HydrophobicContact CB-CG 4.15Å; L1008-Y1011 HydrophobicContact CD1-CD2 4.29Å; L1008-Y1011 HydrophobicContact CD1-CE1 4.41Å; L1008-Y1011 HydrophobicContact CD1-CE2 3.69Å; L1008-Y1011 PolarHBondContact O-N 3.18Å; L1008-Y1012 PolarHBondContact O-N 2.7Å; L1008-Y1093 HydrophobicContact CD1-CD2 4.12Å; L1008-Y1093 HydrophobicContact CD1-CE2 4.48Å; L1008-Y1093 HydrophobicContact CD2-CE2 4.42Å |
| 1009 | R | 93.3 | Very high | 88.4 | Confident | 27 Ų | 27 | 51.5 Ų | 51.5 | 10% | 0.102 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -54.5 | -36 | -174.9 | 179.1 | -178.7 | 171.4 | 151.7 | 5.3 | 112.2 | E917 F957 R982 S985 V1007 Y1011 Y1012 D1013 | E917-R1009 HydrophobicContact CB-CB 3.94Å; E917-R1009 WeakPolarHBondContact O-CB 3.4Å; E917-R1009 PolarHBondContact O-N 2.96Å; F957-R1009 HydrophobicContact CD1-CG 4.5Å; R982-R1009 PolarHBondContact O-NH1 2.86Å; R982-R1009 PolarHBondContact O-NH2 3.19Å; S985-R1009 PolarHBondContact OG-NH1 3.19Å; V1007-R1009 PolarHBondContact O-N 2.81Å; R1009-Y1011 VanDerWaalsContact C-N 3.33Å; R1009-Y1011 PolarHBondContact O-N 3.43Å; R1009-Y1012 PolarHBondContact O-N 2.6Å; R1009-D1013 WeakPolarHBondContact CG-OD2 3.35Å; R1009-D1013 IonicContact CZ-OD2 2.95Å; R1009-D1013 IonicContact NE-OD2 3.22Å; R1009-D1013 PolarHBondContact NE-OD2 2.89Å; R1009-D1013 IonicContact NH2-OD2 2.74Å; R1009-D1013 VanDerWaalsContact O-CB 3.28Å; R1009-D1013 WeakPolarHBondContact O-CB 3.23Å; R1009-D1013 PolarHBondContact O-N 3.07Å |
| 1010 | Q | 92.1 | Very high | 88.7 | Confident | 53 Ų | 53 | 51.7 Ų | 51.7 | 25% | 0.248 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.7 | -37 | 176.5 | -172.5 | 175.4 | 82.7 | 0 | 0 | 112.8 | L1008 V1014 Y1093 R1094 | L1008-Q1010 PolarHBondContact O-N 3.03Å; L1008-Q1010 VanDerWaalsContact O-N 3.08Å; Q1010-V1014 HydrophobicContact CG-CG2 4.48Å; Q1010-V1014 VanDerWaalsContact O-CB 3.3Å; Q1010-V1014 WeakPolarHBondContact O-CB 3.03Å; Q1010-V1014 WeakPolarHBondContact O-CG2 3.41Å; Q1010-V1014 PolarHBondContact O-N 3.23Å; Q1010-Y1093 HydrophobicContact CB-CD2 4.37Å; Q1010-Y1093 HydrophobicContact CB-CE2 4.02Å; Q1010-R1094 PolarHBondContact NE2-O 2.84Å |
| 1011 | Y | 91.6 | Very high | 89.3 | Confident | 10 Ų | 10 | 55.8 Ų | 55.8 | 4% | 0.039 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -75.5 | -39.3 | -179.9 | -58 | -7.8 | 0 | 0 | 0 | 110.6 | L1008 R1009 S1015 W1091 Y1093 | L1008-Y1011 HydrophobicContact CB-CD2 4.05Å; L1008-Y1011 HydrophobicContact CB-CE2 4.3Å; L1008-Y1011 HydrophobicContact CB-CG 4.15Å; L1008-Y1011 HydrophobicContact CD1-CD2 4.29Å; L1008-Y1011 HydrophobicContact CD1-CE1 4.41Å; L1008-Y1011 HydrophobicContact CD1-CE2 3.69Å; L1008-Y1011 PolarHBondContact O-N 3.18Å; R1009-Y1011 VanDerWaalsContact C-N 3.33Å; R1009-Y1011 PolarHBondContact O-N 3.43Å; Y1011-S1015 VanDerWaalsContact O-CB 3.25Å; Y1011-S1015 WeakPolarHBondContact O-CB 3.41Å; Y1011-S1015 PolarHBondContact O-N 2.9Å; Y1011-S1015 PolarHBondContact O-OG 3.08Å; Y1011-W1091 HydrophobicContact CD1-CB 3.66Å; Y1011-W1091 HydrophobicContact CD1-CG 4.24Å; Y1011-W1091 HydrophobicContact CD2-CB 3.74Å; Y1011-W1091 HydrophobicContact CD2-CG 4.12Å; Y1011-W1091 HydrophobicContact CE1-CB 3.6Å; Y1011-W1091 HydrophobicContact CE2-CB 3.66Å; Y1011-W1091 HydrophobicContact CE2-CG 4.48Å; Y1011-W1091 HydrophobicContact CG-CB 3.76Å; Y1011-W1091 AromaticContact CG-CG 4Å; Y1011-W1091 HydrophobicContact CG-CG 4Å; Y1011-W1091 PolarHBondContact OH-O 3.45Å; Y1011-Y1093 HydrophobicContact CE1-CD2 4.01Å; Y1011-Y1093 PolarHBondContact OH-N 3.04Å |
| 1012 | Y | 92.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.7 | -52.5 | 169.5 | 174.2 | -86.7 | 0 | 0 | 0 | 111.6 | V919 F921 E955 F957 R982 L1008 R1009 V1014 S1015 L1016 N1053 W1072 | V919-Y1012 HydrophobicContact CB-CD2 4.31Å; V919-Y1012 HydrophobicContact CB-CG 4.44Å; V919-Y1012 HydrophobicContact CG1-CD2 4.37Å; V919-Y1012 HydrophobicContact CG1-CE2 4.23Å; V919-Y1012 HydrophobicContact CG2-CD1 3.85Å; V919-Y1012 HydrophobicContact CG2-CD2 4.03Å; V919-Y1012 HydrophobicContact CG2-CE1 4.27Å; V919-Y1012 HydrophobicContact CG2-CE2 4.42Å; V919-Y1012 HydrophobicContact CG2-CG 3.73Å; F921-Y1012 HydrophobicContact CE1-CE2 4.22Å; F921-Y1012 AromaticContact CZ-CD2 3.76Å; F921-Y1012 HydrophobicContact CZ-CD2 3.76Å; F921-Y1012 AromaticContact CZ-CE2 3.73Å; F921-Y1012 HydrophobicContact CZ-CE2 3.73Å; E955-Y1012 VanDerWaalsContact CD-OH 3.3Å; E955-Y1012 PolarHBondContact OE1-OH 2.93Å; E955-Y1012 PolarHBondContact OE2-OH 2.85Å; F957-Y1012 HydrophobicContact CE1-CD1 4.29Å; F957-Y1012 AromaticContact CE1-CE1 3.93Å; F957-Y1012 HydrophobicContact CE1-CE1 3.93Å; F957-Y1012 HydrophobicContact CZ-CD1 4.37Å; F957-Y1012 AromaticContact CZ-CE1 3.6Å; F957-Y1012 HydrophobicContact CZ-CE1 3.6Å; F957-Y1012 AromaticContact CZ-CZ 3.9Å; R982-Y1012 PolarHBondContact NH1-OH 2.86Å; R982-Y1012 PolarHBondContact NH2-OH 2.97Å; L1008-Y1012 PolarHBondContact O-N 2.7Å; R1009-Y1012 PolarHBondContact O-N 2.6Å; Y1012-V1014 VanDerWaalsContact C-N 3.31Å; Y1012-V1014 PolarHBondContact O-N 2.99Å; Y1012-S1015 PolarHBondContact O-N 2.89Å; Y1012-S1015 PolarHBondContact O-OG 2.94Å; Y1012-S1015 VanDerWaalsContact O-OG 3.06Å; Y1012-L1016 HydrophobicContact CD1-CD1 3.97Å; Y1012-L1016 HydrophobicContact CD2-CD1 4.2Å; Y1012-L1016 HydrophobicContact CE1-CD1 3.44Å; Y1012-L1016 VanDerWaalsContact CE1-CD1 3.44Å; Y1012-L1016 HydrophobicContact CE2-CD1 3.73Å; Y1012-L1016 HydrophobicContact CG-CD1 4.31Å; Y1012-L1016 WeakPolarHBondContact O-CB 3.42Å; Y1012-L1016 WeakPolarHBondContact O-CG 3.38Å; Y1012-L1016 PolarHBondContact O-N 3.04Å; Y1012-N1053 HydrophobicContact CE2-CB 4.34Å; Y1012-W1072 AromaticContact CD2-CE3 3.76Å; Y1012-W1072 HydrophobicContact CD2-CE3 3.76Å; Y1012-W1072 HydrophobicContact CD2-CH2 4.29Å; Y1012-W1072 AromaticContact CD2-CZ3 3.47Å; Y1012-W1072 HydrophobicContact CD2-CZ3 3.47Å; Y1012-W1072 VanDerWaalsContact CD2-CZ3 3.47Å; Y1012-W1072 AromaticContact CE2-CZ3 3.86Å; Y1012-W1072 HydrophobicContact CE2-CZ3 3.86Å |
| 1013 | D | 92.2 | Very high | 90.4 | Very high | 40 Ų | 40 | 58.6 Ų | 58.6 | 21% | 0.214 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.3 | -25.8 | -176.6 | -81.3 | -21.4 | 0 | 0 | 0 | 113.2 | R1009 R1017 | R1009-D1013 WeakPolarHBondContact CG-OD2 3.35Å; R1009-D1013 IonicContact CZ-OD2 2.95Å; R1009-D1013 IonicContact NE-OD2 3.22Å; R1009-D1013 PolarHBondContact NE-OD2 2.89Å; R1009-D1013 IonicContact NH2-OD2 2.74Å; R1009-D1013 VanDerWaalsContact O-CB 3.28Å; R1009-D1013 WeakPolarHBondContact O-CB 3.23Å; R1009-D1013 PolarHBondContact O-N 3.07Å; D1013-R1017 WeakPolarHBondContact O-CG 3.45Å; D1013-R1017 PolarHBondContact O-NE 2.57Å |
| 1014 | V | 89.6 | Confident | 90.8 | Very high | 67 Ų | 67 | 59.1 Ų | 59.1 | 41% | 0.406 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -83.9 | -45.2 | 175.3 | 169.8 | 0 | 0 | 0 | 0 | 111.5 | Q1010 Y1012 L1016 R1017 R1018 W1091 | Q1010-V1014 HydrophobicContact CG-CG2 4.48Å; Q1010-V1014 VanDerWaalsContact O-CB 3.3Å; Q1010-V1014 WeakPolarHBondContact O-CB 3.03Å; Q1010-V1014 WeakPolarHBondContact O-CG2 3.41Å; Q1010-V1014 PolarHBondContact O-N 3.23Å; Y1012-V1014 VanDerWaalsContact C-N 3.31Å; Y1012-V1014 PolarHBondContact O-N 2.99Å; V1014-L1016 PolarHBondContact O-N 2.8Å; V1014-R1017 WeakPolarHBondContact O-CB 3.3Å; V1014-R1017 PolarHBondContact O-N 3.34Å; V1014-R1018 PolarHBondContact O-N 3.1Å; V1014-W1091 HydrophobicContact CG1-CE3 4.4Å; V1014-W1091 HydrophobicContact CG1-CH2 4.24Å; V1014-W1091 HydrophobicContact CG1-CZ3 3.64Å |
| 1015 | S | 89.7 | Confident | 91 | Very high | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.007 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 179.2 | 56.9 | 0 | 0 | 0 | 0 | 112.8 | Y1011 Y1012 R1017 R1018 P1071 W1072 | Y1011-S1015 VanDerWaalsContact O-CB 3.25Å; Y1011-S1015 WeakPolarHBondContact O-CB 3.41Å; Y1011-S1015 PolarHBondContact O-N 2.9Å; Y1011-S1015 PolarHBondContact O-OG 3.08Å; Y1012-S1015 PolarHBondContact O-N 2.89Å; Y1012-S1015 PolarHBondContact O-OG 2.94Å; Y1012-S1015 VanDerWaalsContact O-OG 3.06Å; S1015-R1017 VanDerWaalsContact C-N 3.32Å; S1015-R1017 PolarHBondContact O-N 3.31Å; S1015-R1018 WeakPolarHBondContact O-CB 3.39Å; S1015-R1018 PolarHBondContact O-N 3.08Å; S1015-P1071 VanDerWaalsContact CB-C 3.43Å; S1015-P1071 WeakPolarHBondContact CB-O 3.5Å; S1015-W1072 PolarHBondContact OG-N 2.94Å |
| 1016 | L | 90.3 | Very high | 90.9 | Very high | 41 Ų | 41 | 63 Ų | 63 | 22% | 0.215 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.2 | -33.2 | 173.9 | -68.6 | -176.3 | 0 | 0 | 0 | 113 | Y1012 V1014 R1018 R1019 N1053 P1071 | Y1012-L1016 HydrophobicContact CD1-CD1 3.97Å; Y1012-L1016 HydrophobicContact CD2-CD1 4.2Å; Y1012-L1016 HydrophobicContact CE1-CD1 3.44Å; Y1012-L1016 VanDerWaalsContact CE1-CD1 3.44Å; Y1012-L1016 HydrophobicContact CE2-CD1 3.73Å; Y1012-L1016 HydrophobicContact CG-CD1 4.31Å; Y1012-L1016 WeakPolarHBondContact O-CB 3.42Å; Y1012-L1016 WeakPolarHBondContact O-CG 3.38Å; Y1012-L1016 PolarHBondContact O-N 3.04Å; V1014-L1016 PolarHBondContact O-N 2.8Å; L1016-R1018 PolarHBondContact O-N 3.44Å; L1016-R1019 PolarHBondContact O-N 2.83Å; L1016-N1053 HydrophobicContact CD2-CB 4.07Å; L1016-N1053 VanDerWaalsContact CD2-OD1 3.23Å; L1016-N1053 WeakPolarHBondContact CD2-OD1 3.23Å; L1016-P1071 HydrophobicContact CD2-CB 3.93Å; L1016-P1071 HydrophobicContact CD2-CG 3.71Å |
| 1017 | R | 90.3 | Very high | 90.6 | Very high | 189 Ų | 189 | 62.9 Ų | 62.9 | 71% | 0.713 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -64.8 | -25.7 | 173.8 | -88 | -178 | -103.9 | -153.1 | -8.5 | 113.1 | D1013 V1014 S1015 R1019 | D1013-R1017 WeakPolarHBondContact O-CG 3.45Å; D1013-R1017 PolarHBondContact O-NE 2.57Å; V1014-R1017 WeakPolarHBondContact O-CB 3.3Å; V1014-R1017 PolarHBondContact O-N 3.34Å; S1015-R1017 VanDerWaalsContact C-N 3.32Å; S1015-R1017 PolarHBondContact O-N 3.31Å; R1017-R1019 VanDerWaalsContact C-N 3.31Å; R1017-R1019 PolarHBondContact O-N 2.95Å |
| 1018 | R | 86.6 | Confident | 90.3 | Very high | 106 Ų | 106 | 63 Ų | 63 | 40% | 0.4 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.5 | -29.2 | 175.3 | -175.6 | 170.1 | 171.4 | 73.5 | 6.1 | 113.2 | V1014 S1015 L1016 W1020 | V1014-R1018 PolarHBondContact O-N 3.1Å; S1015-R1018 WeakPolarHBondContact O-CB 3.39Å; S1015-R1018 PolarHBondContact O-N 3.08Å; L1016-R1018 PolarHBondContact O-N 3.44Å; R1018-W1020 HydrophobicContact CG-CD2 4.43Å |
| 1019 | R | 87.8 | Confident | 89.6 | Confident | 202 Ų | 202 | 64.8 Ų | 64.8 | 76% | 0.762 | 29% | 0.287 | S | S | * | . | trans | 53 | 54.6 | 179.1 | -59.5 | -178.8 | 177.5 | -170.4 | -0.2 | 113.9 | L1016 R1017 R1021 | L1016-R1019 PolarHBondContact O-N 2.83Å; R1017-R1019 VanDerWaalsContact C-N 3.31Å; R1017-R1019 PolarHBondContact O-N 2.95Å; R1019-R1021 WeakPolarHBondContact O-CG 3.33Å; R1019-R1021 PolarHBondContact O-N 3.18Å | ||
| 1020 | W | 89.4 | Confident | 88.8 | Confident | 21 Ų | 21 | 66.3 Ų | 66.3 | 8% | 0.08 | 30% | 0.296 | C | S | . | . | trans | -38.4 | 124.8 | 176.1 | -71.9 | 119.4 | 0 | 0 | 0 | 113.7 | R1018 E1024 F1026 V1039 L1057 P1071 M1074 Q1075 | R1018-W1020 HydrophobicContact CG-CD2 4.43Å; W1020-E1024 WeakPolarHBondContact CA-OE2 3.45Å; W1020-E1024 HydrophobicContact CE3-CB 4.16Å; W1020-E1024 HydrophobicContact CZ3-CB 4.36Å; W1020-F1026 HydrophobicContact CH2-CB 3.43Å; W1020-F1026 VanDerWaalsContact CH2-CB 3.43Å; W1020-F1026 HydrophobicContact CZ2-CB 4.13Å; W1020-F1026 HydrophobicContact CZ3-CB 3.79Å; W1020-V1039 HydrophobicContact CB-CG2 4.42Å; W1020-V1039 HydrophobicContact CD2-CG2 4.45Å; W1020-V1039 HydrophobicContact CE3-CG2 4.14Å; W1020-L1057 HydrophobicContact CB-CD1 3.85Å; W1020-L1057 HydrophobicContact CB-CD2 4.47Å; W1020-L1057 HydrophobicContact CG-CD1 4Å; W1020-P1071 PolarHBondContact NE1-O 2.95Å; W1020-P1071 VanDerWaalsContact NE1-O 3.12Å; W1020-M1074 HydrophobicContact CG-CE 4.47Å; W1020-M1074 HydrophobicContact CZ2-CB 3.86Å; W1020-Q1075 WeakPolarHBondContact CH2-O 3.49Å | ||
| 1021 | R | 89.4 | Confident | 87.7 | Confident | 170 Ų | 170 | 69.1 Ų | 69.1 | 64% | 0.642 | 31% | 0.313 | S | S | * | . | trans | -109.3 | 155.9 | 179.8 | -53.7 | -179 | -179.1 | -146.1 | 1.9 | 112.2 | R1019 E1024 V1039 | R1019-R1021 WeakPolarHBondContact O-CG 3.33Å; R1019-R1021 PolarHBondContact O-N 3.18Å; R1021-E1024 HydrophobicContact CB-CG 3.99Å; R1021-E1024 WeakPolarHBondContact CB-OE1 3.42Å; R1021-E1024 WeakPolarHBondContact CD-OE1 3.47Å; R1021-E1024 VanDerWaalsContact CG-OE1 3.28Å; R1021-E1024 WeakPolarHBondContact CG-OE1 3.34Å; R1021-E1024 VanDerWaalsContact N-CD 3.34Å; R1021-E1024 PolarHBondContact N-OE2 2.79Å; R1021-E1024 WeakPolarHBondContact O-CB 3.09Å; R1021-E1024 PolarHBondContact O-N 2.84Å; R1021-E1024 VanDerWaalsContact O-N 3.17Å; R1021-V1039 WeakPolarHBondContact O-CB 3.48Å | ||
| 1022 | P | 89.1 | Confident | 86.6 | Confident | 81 Ų | 81 | 71.9 Ų | 71.9 | 53% | 0.526 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | 141.1 | 164.6 | -28.6 | 37 | 0 | 0 | 0 | 112.5 | E1024 V1039 V1040 | P1022-E1024 PolarHBondContact O-N 3.1Å; P1022-V1039 CarbonylContact C-O 3.59Å; P1022-V1039 WeakPolarHBondContact CA-O 3.45Å; P1022-V1040 WeakPolarHBondContact CB-O 3.34Å |
| 1023 | N | 88.9 | Confident | 85.8 | Confident | 138 Ų | 138 | 74.7 Ų | 74.7 | 74% | 0.738 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | 5.1 | -175.8 | -52.5 | -33.4 | 0 | 0 | 0 | 116.2 | V1039 | N1023-V1039 PolarHBondContact N-O 3.29Š|
| 1024 | E | 92.4 | Very high | 85.3 | Confident | 53 Ų | 53 | 74.8 Ų | 74.8 | 25% | 0.248 | 35% | 0.345 | C | S | . | . | trans | -75.3 | 131.3 | 169.7 | -71.7 | 177.8 | 175.8 | 0 | 0 | 111 | W1020 R1021 P1022 V1039 | W1020-E1024 WeakPolarHBondContact CA-OE2 3.45Å; W1020-E1024 HydrophobicContact CE3-CB 4.16Å; W1020-E1024 HydrophobicContact CZ3-CB 4.36Å; R1021-E1024 HydrophobicContact CB-CG 3.99Å; R1021-E1024 WeakPolarHBondContact CB-OE1 3.42Å; R1021-E1024 WeakPolarHBondContact CD-OE1 3.47Å; R1021-E1024 VanDerWaalsContact CG-OE1 3.28Å; R1021-E1024 WeakPolarHBondContact CG-OE1 3.34Å; R1021-E1024 VanDerWaalsContact N-CD 3.34Å; R1021-E1024 PolarHBondContact N-OE2 2.79Å; R1021-E1024 WeakPolarHBondContact O-CB 3.09Å; R1021-E1024 PolarHBondContact O-N 2.84Å; R1021-E1024 VanDerWaalsContact O-N 3.17Å; P1022-E1024 PolarHBondContact O-N 3.1Å; E1024-V1039 PolarHBondContact O-N 2.87Å | ||
| 1025 | R | 91.7 | Very high | 85 | Confident | 112 Ų | 112 | 77.8 Ų | 77.8 | 42% | 0.423 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 140.1 | 174 | -62 | -155.3 | 71.3 | -176 | 4.1 | 111.4 | G1037 E1062 A1077 | R1025-G1037 WeakPolarHBondContact CA-O 3.42Å; R1025-E1062 IonicContact CZ-OE1 3.43Å; R1025-E1062 IonicContact NH1-OE1 3.34Å; R1025-E1062 IonicContact NH2-OE1 3.89Å; R1025-E1062 PolarHBondContact NH2-OE1 3.35Å; R1025-A1077 HydrophobicContact CB-CB 3.83Å |
| 1026 | F | 91.2 | Very high | 85 | Confident | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 168.4 | 175.4 | 74.3 | -88.8 | 0 | 0 | 0 | 110.2 | W1020 T1028 G1037 T1038 V1039 V1059 W1061 L1069 M1074 Q1075 | W1020-F1026 HydrophobicContact CH2-CB 3.43Å; W1020-F1026 VanDerWaalsContact CH2-CB 3.43Å; W1020-F1026 HydrophobicContact CZ2-CB 4.13Å; W1020-F1026 HydrophobicContact CZ3-CB 3.79Å; F1026-T1028 HydrophobicContact CE2-CG2 4.18Å; F1026-G1037 VanDerWaalsContact CD1-C 3.44Å; F1026-G1037 WeakPolarHBondContact CD1-O 3.41Å; F1026-G1037 PolarHBondContact N-O 2.76Å; F1026-G1037 PolarHBondContact O-N 3.42Å; F1026-T1038 VanDerWaalsContact CE1-N 3.27Å; F1026-V1039 HydrophobicContact CD1-CG2 4.01Å; F1026-V1059 HydrophobicContact CD1-CG1 4.31Å; F1026-V1059 HydrophobicContact CE1-CB 3.61Å; F1026-V1059 HydrophobicContact CE1-CG1 3.37Å; F1026-V1059 HydrophobicContact CE1-CG2 4.5Å; F1026-V1059 HydrophobicContact CZ-CB 3.65Å; F1026-V1059 HydrophobicContact CZ-CG1 3.57Å; F1026-V1059 HydrophobicContact CZ-CG2 4.04Å; F1026-W1061 HydrophobicContact CE2-CH2 4.08Å; F1026-W1061 AromaticContact CE2-CZ3 3.72Å; F1026-W1061 HydrophobicContact CE2-CZ3 3.72Å; F1026-W1061 HydrophobicContact CZ-CE3 4.3Å; F1026-W1061 HydrophobicContact CZ-CH2 4.23Å; F1026-W1061 AromaticContact CZ-CZ3 3.81Å; F1026-W1061 HydrophobicContact CZ-CZ3 3.81Å; F1026-L1069 HydrophobicContact CE2-CD1 3.68Å; F1026-L1069 HydrophobicContact CZ-CD1 3.86Å; F1026-M1074 HydrophobicContact CB-CB 4.15Å; F1026-M1074 HydrophobicContact CB-SD 4.3Å; F1026-M1074 HydrophobicContact CD1-SD 3.68Å; F1026-M1074 HydrophobicContact CD2-CB 3.77Å; F1026-M1074 HydrophobicContact CD2-CG 3.46Å; F1026-M1074 VanDerWaalsContact CD2-CG 3.46Å; F1026-M1074 HydrophobicContact CD2-SD 3.48Å; F1026-M1074 WeakPolarHBondContact CD2-SD 3.34Å; F1026-M1074 HydrophobicContact CE1-SD 3.77Å; F1026-M1074 HydrophobicContact CE2-CG 3.72Å; F1026-M1074 HydrophobicContact CE2-SD 3.59Å; F1026-M1074 VanDerWaalsContact CE2-SD 3.59Å; F1026-M1074 HydrophobicContact CG-CB 4.12Å; F1026-M1074 HydrophobicContact CG-CG 4.01Å; F1026-M1074 HydrophobicContact CG-SD 3.53Å; F1026-M1074 VanDerWaalsContact CG-SD 3.53Å; F1026-M1074 HydrophobicContact CZ-CG 4.45Å; F1026-M1074 HydrophobicContact CZ-SD 3.74Å; F1026-Q1075 CarbonylContact C-O 3.6Å; F1026-Q1075 VanDerWaalsContact CA-O 3.27Å; F1026-Q1075 WeakPolarHBondContact CA-O 3.47Å; F1026-Q1075 WeakPolarHBondContact CB-O 3.24Å |
| 1027 | Q | 88.5 | Confident | 85 | Confident | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 159.4 | 164.2 | 66.9 | -172.7 | 71.4 | 0 | 0 | 110.6 | W1034 W1035 L1036 Q1075 C1078 | Q1027-W1034 HydrophobicContact CB-CE3 4.36Å; Q1027-W1034 HydrophobicContact CG-CE3 3.94Å; Q1027-W1034 HydrophobicContact CG-CZ3 3.93Å; Q1027-W1035 CarbonylContact C-O 3.55Å; Q1027-W1035 WeakPolarHBondContact CA-O 3.4Å; Q1027-W1035 WeakPolarHBondContact CB-O 3.08Å; Q1027-L1036 HydrophobicContact CB-CD2 4.06Å; Q1027-Q1075 HydrophobicContact CG-CG 3.5Å; Q1027-Q1075 PolarHBondContact N-O 2.8Å; Q1027-Q1075 PolarHBondContact O-N 2.73Å; Q1027-C1078 PolarHBondContact OE1-SG 3.38Å |
| 1028 | T | 86.5 | Confident | 85.2 | Confident | 6 Ų | 6 | 70.1 Ų | 70.1 | 4% | 0.037 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 173.5 | 177.7 | -172.8 | 0 | 0 | 0 | 0 | 110.8 | F1026 I1030 W1034 W1035 W1061 L1069 D1073 M1090 | F1026-T1028 HydrophobicContact CE2-CG2 4.18Å; T1028-I1030 HydrophobicContact CG2-CD1 4.1Å; T1028-I1030 HydrophobicContact CG2-CG1 4.1Å; T1028-W1034 CarbonylContact O-C 3.52Å; T1028-W1034 WeakPolarHBondContact O-CA 3.13Å; T1028-W1035 HydrophobicContact CG2-CB 4.43Å; T1028-W1035 PolarHBondContact N-O 3.33Å; T1028-W1035 PolarHBondContact O-N 2.94Å; T1028-W1061 HydrophobicContact CG2-CH2 3.58Å; T1028-W1061 HydrophobicContact CG2-CZ3 3.86Å; T1028-L1069 HydrophobicContact CG2-CD1 4.48Å; T1028-D1073 WeakPolarHBondContact CB-O 3.47Å; T1028-D1073 PolarHBondContact OG1-O 2.95Å; T1028-M1090 WeakPolarHBondContact OG1-CE 3.38Å |
| 1029 | I | 78.3 | Confident | 85.6 | Confident | 43 Ų | 43 | 65.1 Ų | 65.1 | 22% | 0.221 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 123 | 176.3 | -55.6 | 176 | 0 | 0 | 0 | 107.7 | S1033 W1034 M1090 | I1029-S1033 WeakPolarHBondContact CA-O 2.97Å; I1029-W1034 HydrophobicContact CD1-CD2 4.49Å; I1029-W1034 HydrophobicContact CD1-CH2 3.77Å; I1029-W1034 HydrophobicContact CD1-CZ2 3.68Å; I1029-W1034 HydrophobicContact CD1-CZ3 4.21Å; I1029-W1034 HydrophobicContact CG1-CD2 3.82Å; I1029-W1034 HydrophobicContact CG1-CE3 3.67Å; I1029-W1034 HydrophobicContact CG1-CH2 3.72Å; I1029-W1034 HydrophobicContact CG1-CZ2 3.86Å; I1029-W1034 HydrophobicContact CG1-CZ3 3.61Å; I1029-M1090 HydrophobicContact CB-CE 4.32Å; I1029-M1090 HydrophobicContact CD1-CB 4.27Å; I1029-M1090 HydrophobicContact CG1-CE 4.32Å |
| 1030 | I | 77.6 | Confident | 85.8 | Confident | 59 Ų | 59 | 57.7 Ų | 57.7 | 30% | 0.303 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 129.9 | 171.9 | -54.2 | 171.7 | 0 | 0 | 0 | 106.6 | T1028 D1032 S1033 W1035 W1061 | T1028-I1030 HydrophobicContact CG2-CD1 4.1Å; T1028-I1030 HydrophobicContact CG2-CG1 4.1Å; I1030-D1032 PolarHBondContact O-N 3.12Å; I1030-S1033 PolarHBondContact N-O 2.69Å; I1030-S1033 WeakPolarHBondContact O-CB 3.46Å; I1030-S1033 PolarHBondContact O-N 2.81Å; I1030-S1033 VanDerWaalsContact O-N 3.14Å; I1030-W1035 HydrophobicContact CB-CG 4.48Å; I1030-W1035 PolarHBondContact O-NE1 3.1Å; I1030-W1035 VanDerWaalsContact O-NE1 3.12Å; I1030-W1061 HydrophobicContact CD1-CH2 3.61Å; I1030-W1061 HydrophobicContact CD1-CZ2 3.73Å |
| 1031 | D | 69 | Low | 86 | Confident | 112 Ų | 112 | 61.1 Ų | 61.1 | 60% | 0.599 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 55.7 | -175.2 | -59.6 | -21 | 0 | 0 | 0 | 112.3 | S1033 | D1031-S1033 PolarHBondContact O-N 2.9Å; D1031-S1033 PolarHBondContact O-OG 3.1Å |
| 1032 | D | 68.2 | Low | 86.2 | Confident | 69 Ų | 69 | 59.2 Ų | 59.2 | 37% | 0.369 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 25.6 | -178.2 | -72.9 | -2.8 | 0 | 0 | 0 | 115.6 | R906 I1030 | R906-D1032 IonicContact CZ-OD1 3.78Å; R906-D1032 IonicContact CZ-OD2 3.06Å; R906-D1032 IonicContact NH1-OD1 3.51Å; R906-D1032 PolarHBondContact NH1-OD1 3.32Å; R906-D1032 IonicContact NH1-OD2 3.49Å; R906-D1032 PolarHBondContact NH1-OD2 3.08Å; R906-D1032 IonicContact NH2-OD2 3.81Å; R906-D1032 PolarHBondContact NH2-OD2 3.24Å; I1030-D1032 PolarHBondContact O-N 3.12Å |
| 1033 | S | 74.2 | Confident | 86.3 | Confident | 58 Ų | 58 | 57.9 Ų | 57.9 | 41% | 0.406 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 141.9 | -178.3 | -56.5 | 0 | 0 | 0 | 0 | 110.9 | I1029 I1030 D1031 | I1029-S1033 WeakPolarHBondContact CA-O 2.97Å; I1030-S1033 PolarHBondContact N-O 2.69Å; I1030-S1033 WeakPolarHBondContact O-CB 3.46Å; I1030-S1033 PolarHBondContact O-N 2.81Å; I1030-S1033 VanDerWaalsContact O-N 3.14Å; D1031-S1033 PolarHBondContact O-N 2.9Å; D1031-S1033 PolarHBondContact O-OG 3.1Å |
| 1034 | W | 81.7 | Confident | 86.4 | Confident | 43 Ų | 43 | 53.7 Ų | 53.7 | 16% | 0.163 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 119.7 | 176.8 | -74.8 | 105.2 | 0 | 0 | 0 | 111.6 | Q1027 T1028 I1029 Q1075 P1081 L1084 M1090 | Q1027-W1034 HydrophobicContact CB-CE3 4.36Å; Q1027-W1034 HydrophobicContact CG-CE3 3.94Å; Q1027-W1034 HydrophobicContact CG-CZ3 3.93Å; T1028-W1034 CarbonylContact O-C 3.52Å; T1028-W1034 WeakPolarHBondContact O-CA 3.13Å; I1029-W1034 HydrophobicContact CD1-CD2 4.49Å; I1029-W1034 HydrophobicContact CD1-CH2 3.77Å; I1029-W1034 HydrophobicContact CD1-CZ2 3.68Å; I1029-W1034 HydrophobicContact CD1-CZ3 4.21Å; I1029-W1034 HydrophobicContact CG1-CD2 3.82Å; I1029-W1034 HydrophobicContact CG1-CE3 3.67Å; I1029-W1034 HydrophobicContact CG1-CH2 3.72Å; I1029-W1034 HydrophobicContact CG1-CZ2 3.86Å; I1029-W1034 HydrophobicContact CG1-CZ3 3.61Å; W1034-Q1075 HydrophobicContact CH2-CG 4.44Å; W1034-Q1075 VanDerWaalsContact CH2-NE2 3.26Å; W1034-Q1075 HydrophobicContact CZ3-CG 4.02Å; W1034-P1081 HydrophobicContact CB-CB 4.46Å; W1034-L1084 HydrophobicContact CD2-CD1 4.32Å; W1034-L1084 HydrophobicContact CH2-CD1 4.46Å; W1034-L1084 HydrophobicContact CZ2-CB 4.4Å; W1034-L1084 HydrophobicContact CZ2-CD1 4.05Å; W1034-M1090 HydrophobicContact CH2-CB 4.18Å; W1034-M1090 HydrophobicContact CH2-CG 4.31Å; W1034-M1090 HydrophobicContact CZ3-CG 4.31Å |
| 1035 | W | 84.9 | Confident | 86.4 | Confident | 130 Ų | 130 | 53.7 Ų | 53.7 | 49% | 0.492 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 134.5 | 177.3 | -67.2 | 82.9 | 0 | 0 | 0 | 111.3 | Q1027 T1028 I1030 W1061 | Q1027-W1035 CarbonylContact C-O 3.55Å; Q1027-W1035 WeakPolarHBondContact CA-O 3.4Å; Q1027-W1035 WeakPolarHBondContact CB-O 3.08Å; T1028-W1035 HydrophobicContact CG2-CB 4.43Å; T1028-W1035 PolarHBondContact N-O 3.33Å; T1028-W1035 PolarHBondContact O-N 2.94Å; I1030-W1035 HydrophobicContact CB-CG 4.48Å; I1030-W1035 PolarHBondContact O-NE1 3.1Å; I1030-W1035 VanDerWaalsContact O-NE1 3.12Å; W1035-W1061 HydrophobicContact CB-CE3 4.34Å; W1035-W1061 HydrophobicContact CB-CZ3 3.91Å |
| 1036 | L | 89.2 | Confident | 86.2 | Confident | 28 Ų | 28 | 50.5 Ų | 50.5 | 15% | 0.147 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 141.5 | 174.8 | -86 | 169.7 | 0 | 0 | 0 | 111.4 | Q1027 E1062 A1077 P1081 | Q1027-L1036 HydrophobicContact CB-CD2 4.06Å; L1036-E1062 HydrophobicContact CB-CG 3.95Å; L1036-E1062 PolarHBondContact O-N 2.99Å; L1036-A1077 HydrophobicContact CD2-CB 3.74Å; L1036-P1081 HydrophobicContact CD1-CG 3.62Å; L1036-P1081 HydrophobicContact CD2-CG 4.3Å; L1036-P1081 HydrophobicContact CG-CG 3.92Å |
| 1037 | G | 90.9 | Very high | 86 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 179.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | R1025 F1026 A1060 | R1025-G1037 WeakPolarHBondContact CA-O 3.42Å; F1026-G1037 VanDerWaalsContact CD1-C 3.44Å; F1026-G1037 WeakPolarHBondContact CD1-O 3.41Å; F1026-G1037 PolarHBondContact N-O 2.76Å; F1026-G1037 PolarHBondContact O-N 3.42Å; G1037-A1060 CarbonylContact C-O 3.19Å; G1037-A1060 WeakPolarHBondContact CA-O 3.27Å |
| 1038 | T | 93.7 | Very high | 86 | Confident | 41 Ų | 41 | 63.1 Ų | 63.1 | 25% | 0.252 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 134.2 | 177.3 | -43.3 | 0 | 0 | 0 | 0 | 109.9 | F1026 V1040 V1059 A1060 | F1026-T1038 VanDerWaalsContact CE1-N 3.27Å; T1038-V1040 PolarHBondContact O-N 3Å; T1038-V1059 WeakPolarHBondContact O-CA 3.42Å; T1038-A1060 PolarHBondContact N-O 3.03Å; T1038-A1060 PolarHBondContact O-N 2.86Å |
| 1039 | V | 94.4 | Very high | 85.9 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.006 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 121.5 | 175.8 | 178.5 | 0 | 0 | 0 | 0 | 109 | W1020 R1021 P1022 N1023 E1024 F1026 L1057 M1074 | W1020-V1039 HydrophobicContact CB-CG2 4.42Å; W1020-V1039 HydrophobicContact CD2-CG2 4.45Å; W1020-V1039 HydrophobicContact CE3-CG2 4.14Å; R1021-V1039 WeakPolarHBondContact O-CB 3.48Å; P1022-V1039 CarbonylContact C-O 3.59Å; P1022-V1039 WeakPolarHBondContact CA-O 3.45Å; N1023-V1039 PolarHBondContact N-O 3.29Å; E1024-V1039 PolarHBondContact O-N 2.87Å; F1026-V1039 HydrophobicContact CD1-CG2 4.01Å; V1039-L1057 HydrophobicContact CG1-CD2 4.17Å; V1039-M1074 HydrophobicContact CG2-CE 4.45Å |
| 1040 | V | 93.1 | Very high | 86.3 | Confident | 46 Ų | 46 | 65.2 Ų | 65.2 | 28% | 0.279 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -53 | 179.9 | 178.5 | 0 | 0 | 0 | 0 | 110.3 | P1022 T1038 V1058 A1060 | P1022-V1040 WeakPolarHBondContact CB-O 3.34Å; T1038-V1040 PolarHBondContact O-N 3Å; V1040-V1058 WeakPolarHBondContact CA-O 3.42Å; V1040-V1058 HydrophobicContact CB-CG1 4.42Å; V1040-V1058 WeakPolarHBondContact CB-O 3.43Å; V1040-V1058 PolarHBondContact N-O 2.95Å; V1040-A1060 HydrophobicContact CG2-CB 3.57Å |
| 1041 | R | 94.2 | Very high | 86.7 | Confident | 94 Ų | 94 | 70.1 Ų | 70.1 | 36% | 0.355 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 163 | -176.6 | 61.5 | -168.6 | -168.5 | -78.9 | -14.6 | 111.4 | E1043 V1058 | R1041-E1043 IonicContact CZ-OE2 2.75Å; R1041-E1043 VanDerWaalsContact CZ-OE2 3.3Å; R1041-E1043 IonicContact NE-OE2 3.21Å; R1041-E1043 PolarHBondContact NE-OE2 2.98Å; R1041-E1043 IonicContact NH2-OE1 2.68Å; R1041-E1043 PolarHBondContact NH2-OE1 3.01Å; R1041-E1043 VanDerWaalsContact NH2-OE1 3.11Å; R1041-E1043 IonicContact NH2-OE2 2.72Å; R1041-E1043 PolarHBondContact NH2-OE2 2.89Å; R1041-V1058 HydrophobicContact CG-CB 4.03Å; R1041-V1058 PolarHBondContact N-O 3.08Å; R1041-V1058 PolarHBondContact O-N 3.46Å |
| 1042 | R | 93.1 | Very high | 87.8 | Confident | 130 Ų | 130 | 65 Ų | 65 | 49% | 0.491 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 123.5 | 172.3 | -172 | -179.2 | 166.4 | 108.5 | 4.2 | 109.4 | N1053 C1056 L1057 | R1042-N1053 PolarHBondContact NH1-OD1 2.89Å; R1042-N1053 PolarHBondContact NH2-OD1 3.47Å; R1042-C1056 CarbonylContact C-O 3.53Å; R1042-C1056 WeakPolarHBondContact CA-O 3.37Å; R1042-C1056 VanDerWaalsContact CG-O 3.27Å; R1042-C1056 WeakPolarHBondContact CG-O 3.44Å; R1042-C1056 PolarHBondContact NH1-SG 3.42Å; R1042-L1057 HydrophobicContact CB-CD2 3.75Å; R1042-L1057 HydrophobicContact CG-CD2 3.8Å |
| 1043 | E | 90.8 | Very high | 89 | Confident | 53 Ų | 53 | 62.3 Ų | 62.3 | 25% | 0.248 | 31% | 0.314 | C | S | . | . | trans | -145.8 | 141.3 | 175.8 | 59.8 | -173.1 | -142.8 | 0 | 0 | 109.1 | R1041 C1056 V1058 R1068 | R1041-E1043 IonicContact CZ-OE2 2.75Å; R1041-E1043 VanDerWaalsContact CZ-OE2 3.3Å; R1041-E1043 IonicContact NE-OE2 3.21Å; R1041-E1043 PolarHBondContact NE-OE2 2.98Å; R1041-E1043 IonicContact NH2-OE1 2.68Å; R1041-E1043 PolarHBondContact NH2-OE1 3.01Å; R1041-E1043 VanDerWaalsContact NH2-OE1 3.11Å; R1041-E1043 IonicContact NH2-OE2 2.72Å; R1041-E1043 PolarHBondContact NH2-OE2 2.89Å; E1043-C1056 PolarHBondContact N-O 2.7Å; E1043-C1056 CarbonylContact O-C 3.57Å; E1043-C1056 VanDerWaalsContact O-CA 3.26Å; E1043-C1056 WeakPolarHBondContact O-CA 3.37Å; E1043-V1058 HydrophobicContact CG-CG2 3.71Å; E1043-V1058 WeakPolarHBondContact OE1-CG2 3.32Å; E1043-R1068 IonicContact OE1-CZ 2.8Å; E1043-R1068 IonicContact OE1-NH1 2.63Å; E1043-R1068 PolarHBondContact OE1-NH1 3.14Å; E1043-R1068 IonicContact OE1-NH2 3.56Å; E1043-R1068 PolarHBondContact OE1-NH2 3.41Å | ||
| 1044 | P | 91.8 | Very high | 89.9 | Confident | 49 Ų | 49 | 59.6 Ų | 59.6 | 32% | 0.318 | 30% | 0.295 | S | S | . | . | trans | -65 | 151.3 | -177.7 | 28.5 | -35.1 | 0 | 0 | 0 | 111.6 | ||||
| 1045 | F | 90.4 | Very high | 90.4 | Very high | 53 Ų | 53 | 58.9 Ų | 58.9 | 23% | 0.232 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -67 | -47.8 | 178.4 | 176.6 | -104.2 | 0 | 0 | 0 | 112.2 | Q923 L927 F1054 Q1055 | Q923-F1045 HydrophobicContact CB-CD1 4.36Å; L927-F1045 HydrophobicContact CD1-CE1 4.26Å; L927-F1045 HydrophobicContact CD1-CE2 4.44Å; L927-F1045 HydrophobicContact CD1-CZ 3.78Å; L927-F1045 HydrophobicContact CD2-CZ 4.21Å; L927-F1045 HydrophobicContact CG-CZ 4.4Å; F1045-F1054 WeakPolarHBondContact CB-O 3.45Å; F1045-F1054 HydrophobicContact CD1-CD1 4.15Å; F1045-F1054 HydrophobicContact CD1-CE1 4.35Å; F1045-F1054 HydrophobicContact CE1-CE1 4.44Å; F1045-F1054 HydrophobicContact CG-CD1 4.21Å; F1045-Q1055 HydrophobicContact CB-CB 4.33Å; F1045-Q1055 HydrophobicContact CD2-CB 3.82Å; F1045-Q1055 HydrophobicContact CG-CB 4.28Å |
| 1046 | E | 89.3 | Confident | 90.8 | Very high | 46 Ų | 46 | 52.7 Ų | 52.7 | 22% | 0.215 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -115.7 | 133.7 | 169.1 | -71.9 | 173 | 137.5 | 0 | 0 | 109 | Q923 R926 N1048 C1049 | Q923-E1046 PolarHBondContact NE2-OE2 3.3Å; R926-E1046 IonicContact CZ-OE1 2.75Å; R926-E1046 IonicContact NH2-OE1 3.59Å; R926-E1046 PolarHBondContact NH2-OE1 2.83Å; E1046-N1048 PolarHBondContact O-N 3.38Å; E1046-N1048 VanDerWaalsContact O-N 3.16Å; E1046-C1049 HydrophobicContact CB-CB 4.32Å; E1046-C1049 PolarHBondContact O-N 2.97Å |
| 1047 | P | 87.1 | Confident | 91 | Very high | 112 Ų | 112 | 51.5 Ų | 51.5 | 73% | 0.727 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -29.3 | -179.6 | -27.2 | 35.4 | 0 | 0 | 0 | 114.6 | C1049 | P1047-C1049 PolarHBondContact O-N 3.44Š|
| 1048 | N | 87.7 | Confident | 91.2 | Very high | 152 Ų | 152 | 51.7 Ų | 51.7 | 81% | 0.813 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -15.5 | 178.7 | -60.8 | -4.9 | 0 | 0 | 0 | 112.9 | E1046 P1050 | E1046-N1048 PolarHBondContact O-N 3.38Å; E1046-N1048 VanDerWaalsContact O-N 3.16Å; N1048-P1050 VanDerWaalsContact O-CD 3.23Å; N1048-P1050 WeakPolarHBondContact O-CD 3.47Å |
| 1049 | C | 84.1 | Confident | 91.2 | Very high | 19 Ų | 19 | 49.7 Ų | 49.7 | 13% | 0.128 | 25% | 0.253 | C | S | . | . | trans | -120.7 | 50.6 | -169.3 | -52.8 | 0 | 0 | 0 | 0 | 111.1 | E954 E1046 P1047 H1051 S1052 | E954-C1049 HydrophobicContact CG-CB 4.18Å; E1046-C1049 HydrophobicContact CB-CB 4.32Å; E1046-C1049 PolarHBondContact O-N 2.97Å; P1047-C1049 PolarHBondContact O-N 3.44Å; C1049-H1051 PolarHBondContact O-N 2.84Å; C1049-S1052 WeakPolarHBondContact O-CB 3.35Å; C1049-S1052 PolarHBondContact O-N 3.01Å | ||
| 1050 | P | 86 | Confident | 91.2 | Very high | 74 Ų | 74 | 50.6 Ų | 50.6 | 48% | 0.481 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -14.2 | -163.7 | 29.2 | -38.3 | 0 | 0 | 0 | 114.9 | N1048 | N1048-P1050 VanDerWaalsContact O-CD 3.23Å; N1048-P1050 WeakPolarHBondContact O-CD 3.47Å |
| 1051 | H | 87.9 | Confident | 91.1 | Very high | 162 Ų | 162 | 49.5 Ų | 49.5 | 75% | 0.75 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -9.2 | 178.7 | -56.9 | -49.6 | 0 | 0 | 0 | 113.7 | C1049 N1053 | C1049-H1051 PolarHBondContact O-N 2.84Å; H1051-N1053 PolarHBondContact O-ND2 2.67Å |
| 1052 | S | 91.2 | Very high | 90.6 | Very high | 4 Ų | 4 | 51.2 Ų | 51.2 | 3% | 0.028 | 26% | 0.264 | C | S | . | . | trans | -66.4 | 138.3 | 177.5 | -177.2 | 0 | 0 | 0 | 0 | 111.4 | Q923 C1049 F1054 | Q923-S1052 PolarHBondContact OE1-OG 2.8Å; C1049-S1052 WeakPolarHBondContact O-CB 3.35Å; C1049-S1052 PolarHBondContact O-N 3.01Å; S1052-F1054 WeakPolarHBondContact OG-CB 3.44Å; S1052-F1054 PolarHBondContact OG-N 3.27Å | ||
| 1053 | N | 92.6 | Very high | 90.1 | Very high | 14 Ų | 14 | 47.3 Ų | 47.3 | 8% | 0.075 | 26% | 0.256 | C | S | . | . | trans | -95.5 | -6.2 | 174.4 | -63.7 | -84.7 | 0 | 0 | 0 | 112.9 | E955 Y1012 L1016 R1042 H1051 Q1055 C1056 P1071 W1072 | E955-N1053 WeakPolarHBondContact OE1-CB 3.45Å; E955-N1053 PolarHBondContact OE1-N 3.33Å; E955-N1053 PolarHBondContact OE1-ND2 3.33Å; Y1012-N1053 HydrophobicContact CE2-CB 4.34Å; L1016-N1053 HydrophobicContact CD2-CB 4.07Å; L1016-N1053 VanDerWaalsContact CD2-OD1 3.23Å; L1016-N1053 WeakPolarHBondContact CD2-OD1 3.23Å; R1042-N1053 PolarHBondContact NH1-OD1 2.89Å; R1042-N1053 PolarHBondContact NH2-OD1 3.47Å; H1051-N1053 PolarHBondContact O-ND2 2.67Å; N1053-Q1055 PolarHBondContact O-N 2.76Å; N1053-C1056 PolarHBondContact O-SG 2.93Å; N1053-P1071 HydrophobicContact CB-CG 4.4Å; N1053-P1071 WeakPolarHBondContact O-CD 3.48Å; N1053-W1072 HydrophobicContact CB-CH2 4.18Å; N1053-W1072 HydrophobicContact CB-CZ3 3.81Å | ||
| 1054 | F | 93.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 125 | 175.6 | -176.6 | -96.4 | 0 | 0 | 0 | 110.4 | F921 Q923 L927 V1003 F1045 S1052 C1056 W1072 | F921-F1054 HydrophobicContact CB-CB 4.48Å; F921-F1054 HydrophobicContact CB-CD2 3.8Å; F921-F1054 HydrophobicContact CB-CE2 4.43Å; F921-F1054 HydrophobicContact CB-CG 4.32Å; F921-F1054 HydrophobicContact CD1-CB 3.78Å; F921-F1054 HydrophobicContact CD1-CD2 4.33Å; F921-F1054 HydrophobicContact CD1-CG 4.46Å; F921-F1054 HydrophobicContact CD2-CD2 4.37Å; F921-F1054 HydrophobicContact CE1-CB 4.33Å; F921-F1054 HydrophobicContact CG-CB 4.22Å; F921-F1054 AromaticContact CG-CD2 3.9Å; F921-F1054 HydrophobicContact CG-CD2 3.9Å; F921-F1054 HydrophobicContact CG-CG 4.42Å; Q923-F1054 HydrophobicContact CB-CD1 3.95Å; Q923-F1054 HydrophobicContact CB-CE1 4.3Å; Q923-F1054 HydrophobicContact CB-CG 4.49Å; L927-F1054 HydrophobicContact CD1-CE1 3.82Å; L927-F1054 HydrophobicContact CD1-CZ 4Å; V1003-F1054 HydrophobicContact CG2-CE2 3.97Å; V1003-F1054 HydrophobicContact CG2-CZ 3.55Å; F1045-F1054 WeakPolarHBondContact CB-O 3.45Å; F1045-F1054 HydrophobicContact CD1-CD1 4.15Å; F1045-F1054 HydrophobicContact CD1-CE1 4.35Å; F1045-F1054 HydrophobicContact CE1-CE1 4.44Å; F1045-F1054 HydrophobicContact CG-CD1 4.21Å; S1052-F1054 WeakPolarHBondContact OG-CB 3.44Å; S1052-F1054 PolarHBondContact OG-N 3.27Å; F1054-C1056 PolarHBondContact O-N 2.78Å; F1054-W1072 HydrophobicContact CD2-CZ2 4.42Å |
| 1055 | Q | 93.1 | Very high | 89.3 | Confident | 28 Ų | 28 | 48.3 Ų | 48.3 | 13% | 0.131 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.3 | 30.7 | 178.3 | -74 | -162.3 | -58.3 | 0 | 0 | 115.4 | F1045 N1053 L1057 R1068 L1069 S1070 | F1045-Q1055 HydrophobicContact CB-CB 4.33Å; F1045-Q1055 HydrophobicContact CD2-CB 3.82Å; F1045-Q1055 HydrophobicContact CG-CB 4.28Å; N1053-Q1055 PolarHBondContact O-N 2.76Å; Q1055-L1057 PolarHBondContact O-N 2.84Å; Q1055-R1068 HydrophobicContact CB-CB 4.05Å; Q1055-R1068 HydrophobicContact CG-CB 4.5Å; Q1055-R1068 PolarHBondContact NE2-O 3.19Å; Q1055-L1069 CarbonylContact C-O 3.58Å; Q1055-L1069 WeakPolarHBondContact CA-O 2.99Å; Q1055-S1070 PolarHBondContact N-OG 2.74Å |
| 1056 | C | 93.2 | Very high | 89.2 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.007 | 28% | 0.282 | C | S | . | . | trans | -85.6 | -2.7 | -170.9 | 73.8 | 0 | 0 | 0 | 0 | 115.2 | R1042 E1043 N1053 F1054 L1069 | R1042-C1056 CarbonylContact C-O 3.53Å; R1042-C1056 WeakPolarHBondContact CA-O 3.37Å; R1042-C1056 VanDerWaalsContact CG-O 3.27Å; R1042-C1056 WeakPolarHBondContact CG-O 3.44Å; R1042-C1056 PolarHBondContact NH1-SG 3.42Å; E1043-C1056 PolarHBondContact N-O 2.7Å; E1043-C1056 CarbonylContact O-C 3.57Å; E1043-C1056 VanDerWaalsContact O-CA 3.26Å; E1043-C1056 WeakPolarHBondContact O-CA 3.37Å; N1053-C1056 PolarHBondContact O-SG 2.93Å; F1054-C1056 PolarHBondContact O-N 2.78Å; C1056-L1069 PolarHBondContact N-O 3.04Å | ||
| 1057 | L | 93.5 | Very high | 89.3 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 114.6 | -179.3 | -66 | 169.2 | 0 | 0 | 0 | 109.1 | W1020 V1039 R1042 Q1055 R1068 L1069 P1071 M1074 | W1020-L1057 HydrophobicContact CB-CD1 3.85Å; W1020-L1057 HydrophobicContact CB-CD2 4.47Å; W1020-L1057 HydrophobicContact CG-CD1 4Å; V1039-L1057 HydrophobicContact CG1-CD2 4.17Å; R1042-L1057 HydrophobicContact CB-CD2 3.75Å; R1042-L1057 HydrophobicContact CG-CD2 3.8Å; Q1055-L1057 PolarHBondContact O-N 2.84Å; L1057-R1068 WeakPolarHBondContact O-CA 3.4Å; L1057-L1069 WeakPolarHBondContact CB-O 3.38Å; L1057-L1069 PolarHBondContact N-O 2.73Å; L1057-L1069 PolarHBondContact O-N 2.85Å; L1057-P1071 HydrophobicContact CD1-CB 4.26Å; L1057-P1071 HydrophobicContact CD1-CG 3.91Å; L1057-M1074 HydrophobicContact CB-CE 4.09Å; L1057-M1074 HydrophobicContact CD1-CE 3.41Å; L1057-M1074 VanDerWaalsContact CD1-CE 3.41Å; L1057-M1074 HydrophobicContact CG-CE 4.37Å |
| 1058 | V | 94.7 | Very high | 89.6 | Confident | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.024 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 123.7 | 168.6 | 175 | 0 | 0 | 0 | 0 | 108.1 | V1040 R1041 E1043 Q1066 E1067 R1068 | V1040-V1058 WeakPolarHBondContact CA-O 3.42Å; V1040-V1058 HydrophobicContact CB-CG1 4.42Å; V1040-V1058 WeakPolarHBondContact CB-O 3.43Å; V1040-V1058 PolarHBondContact N-O 2.95Å; R1041-V1058 HydrophobicContact CG-CB 4.03Å; R1041-V1058 PolarHBondContact N-O 3.08Å; R1041-V1058 PolarHBondContact O-N 3.46Å; E1043-V1058 HydrophobicContact CG-CG2 3.71Å; E1043-V1058 WeakPolarHBondContact OE1-CG2 3.32Å; V1058-Q1066 HydrophobicContact CG1-CB 4.25Å; V1058-Q1066 HydrophobicContact CG1-CG 4.46Å; V1058-E1067 WeakPolarHBondContact CA-O 3.49Å; V1058-R1068 HydrophobicContact CG2-CG 3.95Å |
| 1059 | V | 94.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 156.4 | -179.4 | -64.1 | 0 | 0 | 0 | 0 | 110.1 | F1026 T1038 W1061 Q1066 E1067 L1069 M1074 | F1026-V1059 HydrophobicContact CD1-CG1 4.31Å; F1026-V1059 HydrophobicContact CE1-CB 3.61Å; F1026-V1059 HydrophobicContact CE1-CG1 3.37Å; F1026-V1059 HydrophobicContact CE1-CG2 4.5Å; F1026-V1059 HydrophobicContact CZ-CB 3.65Å; F1026-V1059 HydrophobicContact CZ-CG1 3.57Å; F1026-V1059 HydrophobicContact CZ-CG2 4.04Å; T1038-V1059 WeakPolarHBondContact O-CA 3.42Å; V1059-W1061 HydrophobicContact CG2-CZ2 4.48Å; V1059-Q1066 WeakPolarHBondContact O-CA 3.22Å; V1059-E1067 HydrophobicContact CG2-CB 4.35Å; V1059-E1067 WeakPolarHBondContact CG2-O 3.18Å; V1059-E1067 PolarHBondContact N-O 3.45Å; V1059-E1067 PolarHBondContact O-N 3.04Å; V1059-E1067 VanDerWaalsContact O-N 3.11Å; V1059-L1069 HydrophobicContact CG1-CB 4.34Å; V1059-L1069 HydrophobicContact CG1-CD1 4.22Å; V1059-L1069 HydrophobicContact CG1-CG 4.42Å; V1059-L1069 HydrophobicContact CG2-CD1 3.91Å; V1059-L1069 HydrophobicContact CG2-CG 3.87Å; V1059-M1074 HydrophobicContact CG1-CE 4.45Å; V1059-M1074 HydrophobicContact CG1-SD 3.67Å |
| 1060 | A | 92.8 | Very high | 90.2 | Very high | 19 Ų | 19 | 44.9 Ų | 44.9 | 16% | 0.157 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 127.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | G1037 T1038 V1040 Q1066 | G1037-A1060 CarbonylContact C-O 3.19Å; G1037-A1060 WeakPolarHBondContact CA-O 3.27Å; T1038-A1060 PolarHBondContact N-O 3.03Å; T1038-A1060 PolarHBondContact O-N 2.86Å; V1040-A1060 HydrophobicContact CG2-CB 3.57Å; A1060-Q1066 HydrophobicContact CB-CG 4.21Å |
| 1061 | W | 91.9 | Very high | 90.5 | Very high | 23 Ų | 23 | 41.4 Ų | 41.4 | 9% | 0.087 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 167.5 | 170.1 | -62 | 121.3 | 0 | 0 | 0 | 111 | F1026 T1028 I1030 W1035 V1059 S1063 G1064 E1065 E1067 L1069 | F1026-W1061 HydrophobicContact CE2-CH2 4.08Å; F1026-W1061 AromaticContact CE2-CZ3 3.72Å; F1026-W1061 HydrophobicContact CE2-CZ3 3.72Å; F1026-W1061 HydrophobicContact CZ-CE3 4.3Å; F1026-W1061 HydrophobicContact CZ-CH2 4.23Å; F1026-W1061 AromaticContact CZ-CZ3 3.81Å; F1026-W1061 HydrophobicContact CZ-CZ3 3.81Å; T1028-W1061 HydrophobicContact CG2-CH2 3.58Å; T1028-W1061 HydrophobicContact CG2-CZ3 3.86Å; I1030-W1061 HydrophobicContact CD1-CH2 3.61Å; I1030-W1061 HydrophobicContact CD1-CZ2 3.73Å; W1035-W1061 HydrophobicContact CB-CE3 4.34Å; W1035-W1061 HydrophobicContact CB-CZ3 3.91Å; V1059-W1061 HydrophobicContact CG2-CZ2 4.48Å; W1061-S1063 WeakPolarHBondContact CB-OG 3.34Å; W1061-S1063 PolarHBondContact O-N 3.01Å; W1061-S1063 VanDerWaalsContact O-N 3.16Å; W1061-G1064 PolarHBondContact O-N 2.96Å; W1061-E1065 PolarHBondContact N-O 2.76Å; W1061-E1065 VanDerWaalsContact N-O 3.16Å; W1061-E1067 PolarHBondContact NE1-OE2 2.67Å; W1061-L1069 HydrophobicContact CH2-CD1 3.75Å; W1061-L1069 HydrophobicContact CZ2-CD1 4.12Å |
| 1062 | E | 84.4 | Confident | 90.7 | Very high | 131 Ų | 131 | 33.7 Ų | 33.7 | 61% | 0.612 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -18.6 | 171.4 | -72.6 | -171.1 | 142.8 | 0 | 0 | 113.4 | R1025 L1036 | R1025-E1062 IonicContact CZ-OE1 3.43Å; R1025-E1062 IonicContact NH1-OE1 3.34Å; R1025-E1062 IonicContact NH2-OE1 3.89Å; R1025-E1062 PolarHBondContact NH2-OE1 3.35Å; L1036-E1062 HydrophobicContact CB-CG 3.95Å; L1036-E1062 PolarHBondContact O-N 2.99Å |
| 1063 | S | 81.2 | Confident | 90.6 | Very high | 48 Ų | 48 | 34.2 Ų | 34.2 | 34% | 0.336 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -40.1 | 166.8 | 62.8 | 0 | 0 | 0 | 0 | 112.5 | W1061 E1065 H1432 | W1061-S1063 WeakPolarHBondContact CB-OG 3.34Å; W1061-S1063 PolarHBondContact O-N 3.01Å; W1061-S1063 VanDerWaalsContact O-N 3.16Å; S1063-E1065 PolarHBondContact OG-N 2.9Å; S1063-H1432 PolarHBondContact O-CD2 3.07Å |
| 1064 | G | 79.9 | Confident | 90.4 | Very high | 49 Ų | 49 | 33.6 Ų | 33.6 | 51% | 0.505 | 18% | 0.176 | S | C | . | . | trans | 100.9 | -1.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | W1061 | W1061-G1064 PolarHBondContact O-N 2.96Š| ||
| 1065 | E | 85.6 | Confident | 90.1 | Very high | 73 Ų | 73 | 35 Ų | 35 | 34% | 0.341 | 18% | 0.182 | S | C | . | . | trans | -62.6 | 136.7 | 162.5 | -68.2 | -172.5 | 136.4 | 0 | 0 | 109 | W1061 S1063 H1432 K1439 | W1061-E1065 PolarHBondContact N-O 2.76Å; W1061-E1065 VanDerWaalsContact N-O 3.16Å; S1063-E1065 PolarHBondContact OG-N 2.9Å; E1065-H1432 WeakPolarHBondContact CG-NE2 3.24Å; E1065-H1432 IonicContact OE1-NE2 3.47Å; E1065-H1432 IonicContact OE2-NE2 2.82Å; E1065-K1439 IonicContact OE1-NZ 3.49Å; E1065-K1439 PolarHBondContact OE1-NZ 3.3Å; E1065-K1439 IonicContact OE2-NZ 3.09Å | ||
| 1066 | Q | 89.8 | Confident | 89.8 | Confident | 108 Ų | 108 | 36.3 Ų | 36.3 | 51% | 0.505 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 129.7 | -179.6 | -76.4 | -175.5 | 28.5 | 0 | 0 | 111.3 | V1058 V1059 A1060 | V1058-Q1066 HydrophobicContact CG1-CB 4.25Å; V1058-Q1066 HydrophobicContact CG1-CG 4.46Å; V1059-Q1066 WeakPolarHBondContact O-CA 3.22Å; A1060-Q1066 HydrophobicContact CB-CG 4.21Å |
| 1067 | E | 90.7 | Very high | 89.3 | Confident | 102 Ų | 102 | 37.9 Ų | 37.9 | 48% | 0.477 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 174.8 | 178 | -68.4 | -165.2 | 132.9 | 0 | 0 | 111.4 | V1058 V1059 W1061 | V1058-E1067 WeakPolarHBondContact CA-O 3.49Å; V1059-E1067 HydrophobicContact CG2-CB 4.35Å; V1059-E1067 WeakPolarHBondContact CG2-O 3.18Å; V1059-E1067 PolarHBondContact N-O 3.45Å; V1059-E1067 PolarHBondContact O-N 3.04Å; V1059-E1067 VanDerWaalsContact O-N 3.11Å; W1061-E1067 PolarHBondContact NE1-OE2 2.67Å |
| 1068 | R | 93 | Very high | 88.3 | Confident | 83 Ų | 83 | 40.2 Ų | 40.2 | 31% | 0.313 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 119.5 | 176.6 | -81.4 | 178.8 | 158.1 | 68.6 | 0.1 | 110.7 | E1043 Q1055 L1057 V1058 | E1043-R1068 IonicContact OE1-CZ 2.8Å; E1043-R1068 IonicContact OE1-NH1 2.63Å; E1043-R1068 PolarHBondContact OE1-NH1 3.14Å; E1043-R1068 IonicContact OE1-NH2 3.56Å; E1043-R1068 PolarHBondContact OE1-NH2 3.41Å; Q1055-R1068 HydrophobicContact CB-CB 4.05Å; Q1055-R1068 HydrophobicContact CG-CB 4.5Å; Q1055-R1068 PolarHBondContact NE2-O 3.19Å; L1057-R1068 WeakPolarHBondContact O-CA 3.4Å; V1058-R1068 HydrophobicContact CG2-CG 3.95Å |
| 1069 | L | 92.2 | Very high | 86.4 | Confident | 17 Ų | 17 | 46.8 Ų | 46.8 | 9% | 0.089 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 158.1 | 171.5 | -64.5 | -177.2 | 0 | 0 | 0 | 110.7 | F1026 T1028 Q1055 C1056 L1057 V1059 W1061 D1073 M1074 | F1026-L1069 HydrophobicContact CE2-CD1 3.68Å; F1026-L1069 HydrophobicContact CZ-CD1 3.86Å; T1028-L1069 HydrophobicContact CG2-CD1 4.48Å; Q1055-L1069 CarbonylContact C-O 3.58Å; Q1055-L1069 WeakPolarHBondContact CA-O 2.99Å; C1056-L1069 PolarHBondContact N-O 3.04Å; L1057-L1069 WeakPolarHBondContact CB-O 3.38Å; L1057-L1069 PolarHBondContact N-O 2.73Å; L1057-L1069 PolarHBondContact O-N 2.85Å; V1059-L1069 HydrophobicContact CG1-CB 4.34Å; V1059-L1069 HydrophobicContact CG1-CD1 4.22Å; V1059-L1069 HydrophobicContact CG1-CG 4.42Å; V1059-L1069 HydrophobicContact CG2-CD1 3.91Å; V1059-L1069 HydrophobicContact CG2-CG 3.87Å; W1061-L1069 HydrophobicContact CH2-CD1 3.75Å; W1061-L1069 HydrophobicContact CZ2-CD1 4.12Å; L1069-D1073 HydrophobicContact CB-CB 4.31Å; L1069-D1073 HydrophobicContact CD2-CB 4.33Å; L1069-M1074 HydrophobicContact CB-CE 4.33Å; L1069-M1074 HydrophobicContact CB-CG 4.18Å; L1069-M1074 HydrophobicContact CB-SD 4.02Å; L1069-M1074 HydrophobicContact CD1-CG 3.6Å; L1069-M1074 HydrophobicContact CD1-SD 3.75Å |
| 1070 | S | 93.1 | Very high | 84.7 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -92.3 | 158.5 | 171.3 | -33.6 | 0 | 0 | 0 | 0 | 109.8 | Q1055 W1072 D1073 | Q1055-S1070 PolarHBondContact N-OG 2.74Å; S1070-W1072 PolarHBondContact O-N 2.82Å; S1070-W1072 VanDerWaalsContact O-N 3.11Å; S1070-W1072 WeakPolarHBondContact OG-CZ2 3.45Å; S1070-D1073 VanDerWaalsContact CA-OD2 3.32Å; S1070-D1073 WeakPolarHBondContact CA-OD2 3.44Å; S1070-D1073 WeakPolarHBondContact CB-OD2 3.19Å; S1070-D1073 PolarHBondContact N-OD2 3.2Å; S1070-D1073 PolarHBondContact O-N 2.77Å; S1070-D1073 PolarHBondContact OG-OD2 3.3Å | ||
| 1071 | P | 92.6 | Very high | 82.9 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.013 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -33 | -177.2 | -29.7 | 37.1 | 0 | 0 | 0 | 115.2 | S1015 L1016 W1020 N1053 L1057 | S1015-P1071 VanDerWaalsContact CB-C 3.43Å; S1015-P1071 WeakPolarHBondContact CB-O 3.5Å; L1016-P1071 HydrophobicContact CD2-CB 3.93Å; L1016-P1071 HydrophobicContact CD2-CG 3.71Å; W1020-P1071 PolarHBondContact NE1-O 2.95Å; W1020-P1071 VanDerWaalsContact NE1-O 3.12Å; N1053-P1071 HydrophobicContact CB-CG 4.4Å; N1053-P1071 WeakPolarHBondContact O-CD 3.48Å; L1057-P1071 HydrophobicContact CD1-CB 4.26Å; L1057-P1071 HydrophobicContact CD1-CG 3.91Å |
| 1072 | W | 90.9 | Very high | 81.3 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -16.6 | 179.4 | 52.7 | 80.9 | 0 | 0 | 0 | 113.7 | F908 F921 V1007 Y1012 S1015 N1053 F1054 S1070 M1074 W1091 | F908-W1072 WeakPolarHBondContact CZ-O 3.36Å; F921-W1072 HydrophobicContact CD1-CH2 4.41Å; F921-W1072 HydrophobicContact CD2-CH2 4.4Å; F921-W1072 HydrophobicContact CD2-CZ2 4.15Å; F921-W1072 AromaticContact CE1-CH2 3.6Å; F921-W1072 HydrophobicContact CE1-CH2 3.6Å; F921-W1072 HydrophobicContact CE1-CZ2 4.27Å; F921-W1072 HydrophobicContact CE1-CZ3 4.37Å; F921-W1072 AromaticContact CE2-CH2 3.61Å; F921-W1072 HydrophobicContact CE2-CH2 3.61Å; F921-W1072 AromaticContact CE2-CZ2 3.58Å; F921-W1072 HydrophobicContact CE2-CZ2 3.58Å; F921-W1072 HydrophobicContact CE2-CZ3 4.38Å; F921-W1072 AromaticContact CZ-CH2 3.13Å; F921-W1072 HydrophobicContact CZ-CH2 3.13Å; F921-W1072 AromaticContact CZ-CZ2 3.65Å; F921-W1072 HydrophobicContact CZ-CZ2 3.65Å; F921-W1072 AromaticContact CZ-CZ3 3.75Å; F921-W1072 HydrophobicContact CZ-CZ3 3.75Å; V1007-W1072 HydrophobicContact CG1-CB 4.25Å; V1007-W1072 HydrophobicContact CG1-CD2 4.09Å; V1007-W1072 HydrophobicContact CG1-CG 3.76Å; V1007-W1072 HydrophobicContact CG2-CD2 4.3Å; V1007-W1072 HydrophobicContact CG2-CG 4.41Å; V1007-W1072 HydrophobicContact CG2-CZ2 4.14Å; Y1012-W1072 AromaticContact CD2-CE3 3.76Å; Y1012-W1072 HydrophobicContact CD2-CE3 3.76Å; Y1012-W1072 HydrophobicContact CD2-CH2 4.29Å; Y1012-W1072 AromaticContact CD2-CZ3 3.47Å; Y1012-W1072 HydrophobicContact CD2-CZ3 3.47Å; Y1012-W1072 VanDerWaalsContact CD2-CZ3 3.47Å; Y1012-W1072 AromaticContact CE2-CZ3 3.86Å; Y1012-W1072 HydrophobicContact CE2-CZ3 3.86Å; S1015-W1072 PolarHBondContact OG-N 2.94Å; N1053-W1072 HydrophobicContact CB-CH2 4.18Å; N1053-W1072 HydrophobicContact CB-CZ3 3.81Å; F1054-W1072 HydrophobicContact CD2-CZ2 4.42Å; S1070-W1072 PolarHBondContact O-N 2.82Å; S1070-W1072 VanDerWaalsContact O-N 3.11Å; S1070-W1072 WeakPolarHBondContact OG-CZ2 3.45Å; W1072-M1074 PolarHBondContact O-N 3.31Å; W1072-W1091 PolarHBondContact O-NE1 3.35Å |
| 1073 | D | 89.3 | Confident | 80 | Confident | 15 Ų | 15 | 56.1 Ų | 56.1 | 8% | 0.08 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -76.7 | 10.8 | 178.5 | -52.6 | -35.6 | 0 | 0 | 0 | 111.9 | T1028 L1069 S1070 | T1028-D1073 WeakPolarHBondContact CB-O 3.47Å; T1028-D1073 PolarHBondContact OG1-O 2.95Å; L1069-D1073 HydrophobicContact CB-CB 4.31Å; L1069-D1073 HydrophobicContact CD2-CB 4.33Å; S1070-D1073 VanDerWaalsContact CA-OD2 3.32Å; S1070-D1073 WeakPolarHBondContact CA-OD2 3.44Å; S1070-D1073 WeakPolarHBondContact CB-OD2 3.19Å; S1070-D1073 PolarHBondContact N-OD2 3.2Å; S1070-D1073 PolarHBondContact O-N 2.77Å; S1070-D1073 PolarHBondContact OG-OD2 3.3Å |
| 1074 | M | 89.2 | Confident | 79.1 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.317 | C | S | . | . | trans | -147.2 | 135.3 | -169.1 | -61.5 | -173.7 | -69.4 | 0 | 0 | 112.2 | W1020 F1026 V1039 L1057 V1059 L1069 W1072 W1091 | W1020-M1074 HydrophobicContact CG-CE 4.47Å; W1020-M1074 HydrophobicContact CZ2-CB 3.86Å; F1026-M1074 HydrophobicContact CB-CB 4.15Å; F1026-M1074 HydrophobicContact CB-SD 4.3Å; F1026-M1074 HydrophobicContact CD1-SD 3.68Å; F1026-M1074 HydrophobicContact CD2-CB 3.77Å; F1026-M1074 HydrophobicContact CD2-CG 3.46Å; F1026-M1074 VanDerWaalsContact CD2-CG 3.46Å; F1026-M1074 HydrophobicContact CD2-SD 3.48Å; F1026-M1074 WeakPolarHBondContact CD2-SD 3.34Å; F1026-M1074 HydrophobicContact CE1-SD 3.77Å; F1026-M1074 HydrophobicContact CE2-CG 3.72Å; F1026-M1074 HydrophobicContact CE2-SD 3.59Å; F1026-M1074 VanDerWaalsContact CE2-SD 3.59Å; F1026-M1074 HydrophobicContact CG-CB 4.12Å; F1026-M1074 HydrophobicContact CG-CG 4.01Å; F1026-M1074 HydrophobicContact CG-SD 3.53Å; F1026-M1074 VanDerWaalsContact CG-SD 3.53Å; F1026-M1074 HydrophobicContact CZ-CG 4.45Å; F1026-M1074 HydrophobicContact CZ-SD 3.74Å; V1039-M1074 HydrophobicContact CG2-CE 4.45Å; L1057-M1074 HydrophobicContact CB-CE 4.09Å; L1057-M1074 HydrophobicContact CD1-CE 3.41Å; L1057-M1074 VanDerWaalsContact CD1-CE 3.41Å; L1057-M1074 HydrophobicContact CG-CE 4.37Å; V1059-M1074 HydrophobicContact CG1-CE 4.45Å; V1059-M1074 HydrophobicContact CG1-SD 3.67Å; L1069-M1074 HydrophobicContact CB-CE 4.33Å; L1069-M1074 HydrophobicContact CB-CG 4.18Å; L1069-M1074 HydrophobicContact CB-SD 4.02Å; L1069-M1074 HydrophobicContact CD1-CG 3.6Å; L1069-M1074 HydrophobicContact CD1-SD 3.75Å; W1072-M1074 PolarHBondContact O-N 3.31Å; M1074-W1091 VanDerWaalsContact O-CZ2 3.25Å; M1074-W1091 WeakPolarHBondContact O-CZ2 3.27Å | ||
| 1075 | Q | 87.1 | Confident | 78.1 | Confident | 29 Ų | 29 | 58.4 Ų | 58.4 | 14% | 0.136 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 166.6 | 168.9 | 78.8 | 170.4 | 23.7 | 0 | 0 | 111.6 | W1020 F1026 Q1027 W1034 A1077 M1090 | W1020-Q1075 WeakPolarHBondContact CH2-O 3.49Å; F1026-Q1075 CarbonylContact C-O 3.6Å; F1026-Q1075 VanDerWaalsContact CA-O 3.27Å; F1026-Q1075 WeakPolarHBondContact CA-O 3.47Å; F1026-Q1075 WeakPolarHBondContact CB-O 3.24Å; Q1027-Q1075 HydrophobicContact CG-CG 3.5Å; Q1027-Q1075 PolarHBondContact N-O 2.8Å; Q1027-Q1075 PolarHBondContact O-N 2.73Å; W1034-Q1075 HydrophobicContact CH2-CG 4.44Å; W1034-Q1075 VanDerWaalsContact CH2-NE2 3.26Å; W1034-Q1075 HydrophobicContact CZ3-CG 4.02Å; Q1075-A1077 PolarHBondContact O-N 2.71Å; Q1075-M1090 HydrophobicContact CB-CG 3.74Å; Q1075-M1090 HydrophobicContact CB-SD 4.42Å; Q1075-M1090 HydrophobicContact CG-CG 3.89Å; Q1075-M1090 PolarHBondContact OE1-O 3.47Å |
| 1076 | P | 87 | Confident | 76.9 | Confident | 56 Ų | 56 | 63.7 Ų | 63.7 | 36% | 0.364 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 138.4 | 175.2 | -15.6 | 29.2 | 0 | 0 | 0 | 110.7 | C1078 | P1076-C1078 PolarHBondContact O-N 3.03Å |
| 1077 | A | 81.9 | Confident | 75.3 | Confident | 34 Ų | 34 | 64.7 Ų | 64.7 | 28% | 0.281 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 121.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | R1025 L1036 Q1075 | R1025-A1077 HydrophobicContact CB-CB 3.83Å; L1036-A1077 HydrophobicContact CD2-CB 3.74Å; Q1075-A1077 PolarHBondContact O-N 2.71Å |
| 1078 | C | 72.1 | Confident | 74.1 | Confident | 52 Ų | 52 | 62.7 Ų | 62.7 | 35% | 0.351 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -80.5 | 168.1 | 168.2 | 66 | 0 | 0 | 0 | 0 | 110.4 | Q1027 P1076 N1080 L1084 | Q1027-C1078 PolarHBondContact OE1-SG 3.38Å; P1076-C1078 PolarHBondContact O-N 3.03Å; C1078-N1080 VanDerWaalsContact C-N 3.34Å; C1078-N1080 PolarHBondContact O-N 3.07Å; C1078-N1080 PolarHBondContact SG-O 2.89Å; C1078-L1084 VanDerWaalsContact SG-CD1 3.5Å |
| 1079 | V | 55.7 | Low | 72.8 | Confident | 141 Ų | 141 | 60.2 Ų | 60.2 | 86% | 0.855 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -66.3 | -37 | -173.5 | -177.4 | 0 | 0 | 0 | 0 | 111.9 | ||
| 1080 | N | 57.8 | Low | 72 | Confident | 75 Ų | 75 | 59.8 Ų | 59.8 | 40% | 0.401 | 33% | 0.326 | S | S | . | . | trans | -130.5 | 109.3 | 174.6 | -78.8 | -30.3 | 0 | 0 | 0 | 110.3 | C1078 S1082 E1083 | C1078-N1080 VanDerWaalsContact C-N 3.34Å; C1078-N1080 PolarHBondContact O-N 3.07Å; C1078-N1080 PolarHBondContact SG-O 2.89Å; N1080-S1082 PolarHBondContact O-N 3.25Å; N1080-E1083 HydrophobicContact CB-CB 4.33Å; N1080-E1083 HydrophobicContact CB-CG 3.86Å; N1080-E1083 WeakPolarHBondContact CB-OE1 3.2Å; N1080-E1083 PolarHBondContact ND2-OE1 3.03Å; N1080-E1083 PolarHBondContact O-N 3.16Å | ||
| 1081 | P | 56.2 | Low | 71.3 | Confident | 28 Ų | 28 | 61.4 Ų | 61.4 | 18% | 0.182 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -63.2 | -29.1 | 169.3 | -19 | 30.4 | 0 | 0 | 0 | 112.1 | W1034 L1036 E1083 L1084 | W1034-P1081 HydrophobicContact CB-CB 4.46Å; L1036-P1081 HydrophobicContact CD1-CG 3.62Å; L1036-P1081 HydrophobicContact CD2-CG 4.3Å; L1036-P1081 HydrophobicContact CG-CG 3.92Å; P1081-E1083 PolarHBondContact O-N 2.99Å; P1081-E1083 VanDerWaalsContact O-N 3.13Å; P1081-L1084 PolarHBondContact O-N 3.47Å |
| 1082 | S | 57.4 | Low | 70.7 | Confident | 118 Ų | 118 | 68.5 Ų | 68.5 | 83% | 0.825 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -63 | -13.7 | 179.2 | -42.4 | 0 | 0 | 0 | 0 | 114.7 | N1080 | N1080-S1082 PolarHBondContact O-N 3.25Š|
| 1083 | E | 58 | Low | 70.5 | Confident | 148 Ų | 148 | 69.4 Ų | 69.4 | 69% | 0.692 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -92.3 | -8.7 | 175.8 | -70.7 | 171.8 | -158.1 | 0 | 0 | 112.8 | N1080 P1081 | N1080-E1083 HydrophobicContact CB-CB 4.33Å; N1080-E1083 HydrophobicContact CB-CG 3.86Å; N1080-E1083 WeakPolarHBondContact CB-OE1 3.2Å; N1080-E1083 PolarHBondContact ND2-OE1 3.03Å; N1080-E1083 PolarHBondContact O-N 3.16Å; P1081-E1083 PolarHBondContact O-N 2.99Å; P1081-E1083 VanDerWaalsContact O-N 3.13Å |
| 1084 | L | 61.8 | Low | 70.4 | Confident | 47 Ų | 47 | 78.1 Ų | 78.1 | 25% | 0.246 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -89.3 | 115.7 | 176.7 | -75.7 | 161.7 | 0 | 0 | 0 | 110.8 | W1034 C1078 P1081 V1088 | W1034-L1084 HydrophobicContact CD2-CD1 4.32Å; W1034-L1084 HydrophobicContact CH2-CD1 4.46Å; W1034-L1084 HydrophobicContact CZ2-CB 4.4Å; W1034-L1084 HydrophobicContact CZ2-CD1 4.05Å; C1078-L1084 VanDerWaalsContact SG-CD1 3.5Å; P1081-L1084 PolarHBondContact O-N 3.47Å; L1084-V1088 HydrophobicContact CD2-CG1 4.26Å |
| 1085 | D | 59.9 | Low | 70.2 | Confident | 99 Ų | 99 | 80.2 Ų | 80.2 | 53% | 0.529 | 41% | 0.412 | S | S | . | . | trans | -58.4 | 145.9 | 169 | -176.6 | 18.8 | 0 | 0 | 0 | 111 | H1087 V1088 | D1085-H1087 PolarHBondContact O-N 3.23Å; D1085-H1087 IonicContact OD1-CD2 2.82Å; D1085-V1088 HydrophobicContact CB-CG2 4.13Å; D1085-V1088 WeakPolarHBondContact O-CG2 3.35Å; D1085-V1088 PolarHBondContact O-N 3.33Å | ||
| 1086 | R | 58.9 | Low | 70.1 | Confident | 183 Ų | 183 | 82.6 Ų | 82.6 | 69% | 0.691 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -24 | -174.3 | -62.1 | -174.6 | -174.8 | 177.3 | 0.8 | 112.6 | ||
| 1087 | H | 57.2 | Low | 69.8 | Low | 130 Ų | 130 | 86 Ų | 86 | 60% | 0.602 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | 6.8 | -177.8 | -57 | -59.1 | 0 | 0 | 0 | 114.1 | D1085 P1089 | D1085-H1087 PolarHBondContact O-N 3.23Å; D1085-H1087 IonicContact OD1-CD2 2.82Å; H1087-P1089 VanDerWaalsContact O-CD 3.23Å; H1087-P1089 WeakPolarHBondContact O-CD 3.47Å |
| 1088 | V | 65.5 | Low | 69.9 | Low | 59 Ų | 59 | 89.2 Ų | 89.2 | 36% | 0.358 | 47% | 0.467 | S | S | . | . | trans | -79 | 114.9 | 175.4 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | L1084 D1085 M1090 | L1084-V1088 HydrophobicContact CD2-CG1 4.26Å; D1085-V1088 HydrophobicContact CB-CG2 4.13Å; D1085-V1088 WeakPolarHBondContact O-CG2 3.35Å; D1085-V1088 PolarHBondContact O-N 3.33Å; V1088-M1090 PolarHBondContact O-N 3.39Å | ||
| 1089 | P | 66 | Low | 70.6 | Confident | 31 Ų | 31 | 87.6 Ų | 87.6 | 20% | 0.201 | 45% | 0.454 | C | S | . | . | trans | -62.6 | 127 | 173 | 19.4 | -28.9 | 0 | 0 | 0 | 111.9 | N905 S907 H1087 W1091 | N905-P1089 VanDerWaalsContact O-CB 3.28Å; N905-P1089 WeakPolarHBondContact O-CB 3.26Å; N905-P1089 WeakPolarHBondContact O-CG 3.48Å; S907-P1089 WeakPolarHBondContact OG-CB 3.46Å; H1087-P1089 VanDerWaalsContact O-CD 3.23Å; H1087-P1089 WeakPolarHBondContact O-CD 3.47Å; P1089-W1091 PolarHBondContact O-N 2.93Å; P1089-W1091 VanDerWaalsContact O-N 3.14Å | ||
| 1090 | M | 74.8 | Confident | 72.2 | Confident | 9 Ų | 9 | 81.7 Ų | 81.7 | 4% | 0.044 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -50.4 | -36.3 | 174.1 | -170.6 | -162.1 | -44.4 | 0 | 0 | 113 | S907 F908 T1028 I1029 W1034 Q1075 V1088 | S907-M1090 PolarHBondContact OG-N 3Å; F908-M1090 HydrophobicContact CD2-CE 3.74Å; F908-M1090 HydrophobicContact CE2-CE 3.57Å; F908-M1090 HydrophobicContact CE2-SD 3.84Å; T1028-M1090 WeakPolarHBondContact OG1-CE 3.38Å; I1029-M1090 HydrophobicContact CB-CE 4.32Å; I1029-M1090 HydrophobicContact CD1-CB 4.27Å; I1029-M1090 HydrophobicContact CG1-CE 4.32Å; W1034-M1090 HydrophobicContact CH2-CB 4.18Å; W1034-M1090 HydrophobicContact CH2-CG 4.31Å; W1034-M1090 HydrophobicContact CZ3-CG 4.31Å; Q1075-M1090 HydrophobicContact CB-CG 3.74Å; Q1075-M1090 HydrophobicContact CB-SD 4.42Å; Q1075-M1090 HydrophobicContact CG-CG 3.89Å; Q1075-M1090 PolarHBondContact OE1-O 3.47Å; V1088-M1090 PolarHBondContact O-N 3.39Å |
| 1091 | W | 77.7 | Confident | 73.3 | Confident | 34 Ų | 34 | 78.6 Ų | 78.6 | 13% | 0.129 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -126 | 116.5 | 170.9 | -59.2 | 103.1 | 0 | 0 | 0 | 110 | S907 F908 Y1011 V1014 W1072 M1074 P1089 | S907-W1091 PolarHBondContact OG-N 3.01Å; S907-W1091 PolarHBondContact OG-O 3.37Å; F908-W1091 AromaticContact CE2-CD1 3.94Å; Y1011-W1091 HydrophobicContact CD1-CB 3.66Å; Y1011-W1091 HydrophobicContact CD1-CG 4.24Å; Y1011-W1091 HydrophobicContact CD2-CB 3.74Å; Y1011-W1091 HydrophobicContact CD2-CG 4.12Å; Y1011-W1091 HydrophobicContact CE1-CB 3.6Å; Y1011-W1091 HydrophobicContact CE2-CB 3.66Å; Y1011-W1091 HydrophobicContact CE2-CG 4.48Å; Y1011-W1091 HydrophobicContact CG-CB 3.76Å; Y1011-W1091 AromaticContact CG-CG 4Å; Y1011-W1091 HydrophobicContact CG-CG 4Å; Y1011-W1091 PolarHBondContact OH-O 3.45Å; V1014-W1091 HydrophobicContact CG1-CE3 4.4Å; V1014-W1091 HydrophobicContact CG1-CH2 4.24Å; V1014-W1091 HydrophobicContact CG1-CZ3 3.64Å; W1072-W1091 PolarHBondContact O-NE1 3.35Å; M1074-W1091 VanDerWaalsContact O-CZ2 3.25Å; M1074-W1091 WeakPolarHBondContact O-CZ2 3.27Å; P1089-W1091 PolarHBondContact O-N 2.93Å; P1089-W1091 VanDerWaalsContact O-N 3.14Å |
| 1092 | K | 79.8 | Confident | 74.1 | Confident | 151 Ų | 151 | 84.1 Ų | 84.1 | 66% | 0.657 | 43% | 0.434 | S | S | * | . | trans | -87.9 | 112.3 | 171 | -175.2 | 171.4 | -178.9 | 175.6 | 0 | 109.9 | ||||
| 1093 | Y | 87.1 | Confident | 75.3 | Confident | 19 Ų | 19 | 83.2 Ų | 83.2 | 8% | 0.075 | 41% | 0.413 | C | S | . | . | trans | -56.3 | 139.2 | 174.1 | -163.2 | -103.3 | 0 | 0 | 0 | 111.5 | L1008 Q1010 Y1011 P1095 E1099 R1163 R1164 | L1008-Y1093 HydrophobicContact CD1-CD2 4.12Å; L1008-Y1093 HydrophobicContact CD1-CE2 4.48Å; L1008-Y1093 HydrophobicContact CD2-CE2 4.42Å; Q1010-Y1093 HydrophobicContact CB-CD2 4.37Å; Q1010-Y1093 HydrophobicContact CB-CE2 4.02Å; Y1011-Y1093 HydrophobicContact CE1-CD2 4.01Å; Y1011-Y1093 PolarHBondContact OH-N 3.04Å; Y1093-P1095 HydrophobicContact CD1-CG 4.17Å; Y1093-P1095 HydrophobicContact CE1-CB 4.48Å; Y1093-P1095 HydrophobicContact CE1-CG 4.49Å; Y1093-E1099 PolarHBondContact OH-OE1 2.94Å; Y1093-R1163 HydrophobicContact CD1-CB 3.76Å; Y1093-R1163 HydrophobicContact CD1-CG 3.58Å; Y1093-R1163 HydrophobicContact CD2-CG 4.36Å; Y1093-R1163 HydrophobicContact CE1-CB 3.78Å; Y1093-R1163 HydrophobicContact CE1-CG 4.03Å; Y1093-R1163 HydrophobicContact CG-CB 4.43Å; Y1093-R1163 HydrophobicContact CG-CG 3.77Å; Y1093-R1164 PolarHBondContact OH-NH2 2.77Å | ||
| 1094 | R | 86.7 | Confident | 76.4 | Confident | 198 Ų | 198 | 77.7 Ų | 77.7 | 75% | 0.747 | 40% | 0.395 | S | S | * | . | trans | -114.1 | 104.4 | 172.4 | -63.7 | -173.2 | -177.4 | -159.1 | -0.1 | 108.4 | Q1010 | Q1010-R1094 PolarHBondContact NE2-O 2.84Š| ||
| 1095 | P | 85.4 | Confident | 77.7 | Confident | 43 Ų | 43 | 77 Ų | 77 | 28% | 0.279 | 39% | 0.392 | S | S | . | . | trans | -59 | 148.7 | -179.5 | -22.9 | 32.2 | 0 | 0 | 0 | 112.9 | Y1093 E1099 I1105 | Y1093-P1095 HydrophobicContact CD1-CG 4.17Å; Y1093-P1095 HydrophobicContact CE1-CB 4.48Å; Y1093-P1095 HydrophobicContact CE1-CG 4.49Å; P1095-E1099 WeakPolarHBondContact CA-OE2 3.43Å; P1095-E1099 HydrophobicContact CB-CB 4.37Å; P1095-I1105 HydrophobicContact CG-CB 4.48Å; P1095-I1105 HydrophobicContact CG-CD1 3.94Å; P1095-I1105 HydrophobicContact CG-CG2 4.42Å | ||
| 1096 | K | 85 | Confident | 79 | Confident | 80 Ų | 80 | 77.9 Ų | 77.9 | 35% | 0.348 | 39% | 0.393 | S | S | . | . | trans | -73.4 | 154.7 | 169.3 | -53.5 | -179.4 | -174.1 | -169.8 | 0 | 109.5 | E917 S1098 E1099 | E917-K1096 IonicContact OE1-NZ 2.86Å; E917-K1096 PolarHBondContact OE1-NZ 3.43Å; E917-K1096 IonicContact OE2-NZ 3.99Å; E917-K1096 PolarHBondContact OE2-NZ 3.02Å; K1096-S1098 PolarHBondContact O-N 3.28Å; K1096-E1099 HydrophobicContact CB-CG 4.01Å; K1096-E1099 PolarHBondContact N-OE2 3.07Å; K1096-E1099 PolarHBondContact O-N 2.74Å | ||
| 1097 | S | 81 | Confident | 80.5 | Confident | 127 Ų | 127 | 71.9 Ų | 71.9 | 89% | 0.888 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -7 | 178.4 | 50.5 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1098 | S | 83.7 | Confident | 82.1 | Confident | 102 Ų | 102 | 65.7 Ų | 65.7 | 71% | 0.713 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | -2.8 | 175.3 | 60.4 | 0 | 0 | 0 | 0 | 114.2 | K1096 | K1096-S1098 PolarHBondContact O-N 3.28Š|
| 1099 | E | 87.9 | Confident | 83.3 | Confident | 17 Ų | 17 | 63 Ų | 63 | 8% | 0.079 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -14.4 | -175 | -67.8 | 174.2 | 153.3 | 0 | 0 | 113.1 | Y1093 P1095 K1096 R1164 L1165 | Y1093-E1099 PolarHBondContact OH-OE1 2.94Å; P1095-E1099 WeakPolarHBondContact CA-OE2 3.43Å; P1095-E1099 HydrophobicContact CB-CB 4.37Å; K1096-E1099 HydrophobicContact CB-CG 4.01Å; K1096-E1099 PolarHBondContact N-OE2 3.07Å; K1096-E1099 PolarHBondContact O-N 2.74Å; E1099-R1164 HydrophobicContact CB-CB 4.16Å; E1099-R1164 VanDerWaalsContact CD-NH1 3.32Å; E1099-R1164 IonicContact OE1-CZ 3.14Å; E1099-R1164 IonicContact OE1-NH1 3.27Å; E1099-R1164 PolarHBondContact OE1-NH1 3.27Å; E1099-R1164 IonicContact OE1-NH2 2.77Å; E1099-R1164 PolarHBondContact OE1-NH2 2.99Å; E1099-R1164 IonicContact OE2-NH2 3.9Å; E1099-L1165 PolarHBondContact O-N 3.09Å |
| 1100 | W | 89.3 | Confident | 84.6 | Confident | 17 Ų | 17 | 64.5 Ų | 64.5 | 6% | 0.064 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -139.2 | 159.1 | 174.1 | -69.9 | 84.1 | 0 | 0 | 0 | 110.2 | I1105 E1108 L1157 Y1162 R1163 L1165 V1168 | W1100-I1105 HydrophobicContact CD2-CB 3.94Å; W1100-I1105 HydrophobicContact CD2-CD1 4.46Å; W1100-I1105 HydrophobicContact CD2-CG1 3.87Å; W1100-I1105 HydrophobicContact CE3-CB 4.47Å; W1100-I1105 HydrophobicContact CE3-CG1 4.28Å; W1100-I1105 HydrophobicContact CG-CB 3.97Å; W1100-I1105 HydrophobicContact CG-CG1 4.38Å; W1100-I1105 HydrophobicContact CH2-CG1 4.2Å; W1100-I1105 HydrophobicContact CZ2-CD1 3.81Å; W1100-I1105 HydrophobicContact CZ2-CG1 3.79Å; W1100-I1105 HydrophobicContact CZ3-CG1 4.43Å; W1100-E1108 HydrophobicContact CE3-CB 4.13Å; W1100-E1108 HydrophobicContact CE3-CG 4.11Å; W1100-E1108 HydrophobicContact CZ3-CG 4.39Å; W1100-L1157 HydrophobicContact CH2-CD2 4.39Å; W1100-Y1162 WeakPolarHBondContact CZ2-O 3.2Å; W1100-R1163 VanDerWaalsContact NE1-C 3.34Å; W1100-R1163 PolarHBondContact NE1-O 3.13Å; W1100-L1165 HydrophobicContact CE3-CD1 3.98Å; W1100-L1165 HydrophobicContact CH2-CD1 4.4Å; W1100-L1165 HydrophobicContact CZ3-CD1 3.71Å; W1100-V1168 HydrophobicContact CH2-CG2 3.93Å |
| 1101 | P | 80.5 | Confident | 85.5 | Confident | 11 Ų | 11 | 64.5 Ų | 64.5 | 7% | 0.071 | 34% | 0.343 | C | S | . | . | trans | -54.1 | 161.1 | 170.8 | -30.4 | 40.8 | 0 | 0 | 0 | 113.9 | R1103 G1104 E1108 L1165 Q1207 | P1101-R1103 PolarHBondContact O-N 3.03Å; P1101-G1104 PolarHBondContact O-N 2.92Å; P1101-E1108 HydrophobicContact CB-CG 4.38Å; P1101-E1108 HydrophobicContact CG-CG 3.75Å; P1101-L1165 HydrophobicContact CG-CD2 4.27Å; P1101-Q1207 HydrophobicContact CB-CG 4.23Å; P1101-Q1207 HydrophobicContact CG-CG 3.92Å | ||
| 1102 | T | 73 | Confident | 86.3 | Confident | 144 Ų | 144 | 62.9 Ų | 62.9 | 88% | 0.883 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -16.1 | -178.2 | 50.5 | 0 | 0 | 0 | 0 | 114.7 | G1104 | T1102-G1104 VanDerWaalsContact C-N 3.26Å; T1102-G1104 PolarHBondContact O-N 3.42Å |
| 1103 | R | 81.1 | Confident | 87.1 | Confident | 98 Ų | 98 | 56 Ų | 56 | 37% | 0.37 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -15.1 | 174.4 | -57 | 176 | -177.8 | -134.7 | 4.7 | 113.2 | P1101 A1107 Q1207 N1208 H1210 | P1101-R1103 PolarHBondContact O-N 3.03Å; R1103-A1107 HydrophobicContact CB-CB 4.36Å; R1103-Q1207 PolarHBondContact NE-O 2.78Å; R1103-Q1207 PolarHBondContact NH2-O 2.78Å; R1103-N1208 PolarHBondContact NH2-OD1 2.84Å; R1103-H1210 PolarHBondContact NH1-CE1 3.48Å; R1103-H1210 PolarHBondContact NH1-NE2 2.97Å |
| 1104 | G | 82.8 | Confident | 87.4 | Confident | 32 Ų | 32 | 60.5 Ų | 60.5 | 33% | 0.33 | 33% | 0.332 | S | S | . | . | trans | 86 | 161.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | P1101 T1102 E1106 E1108 | P1101-G1104 PolarHBondContact O-N 2.92Å; T1102-G1104 VanDerWaalsContact C-N 3.26Å; T1102-G1104 PolarHBondContact O-N 3.42Å; G1104-E1106 VanDerWaalsContact C-N 3.3Å; G1104-E1106 PolarHBondContact O-N 2.96Å; G1104-E1108 VanDerWaalsContact O-CB 3.29Å; G1104-E1108 WeakPolarHBondContact O-CB 3.4Å; G1104-E1108 PolarHBondContact O-N 3.48Å; G1104-E1108 VanDerWaalsContact O-N 3.11Å | ||
| 1105 | I | 87.5 | Confident | 87.7 | Confident | 34 Ų | 34 | 51.1 Ų | 51.1 | 17% | 0.174 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59 | -37.1 | -175.9 | -179.8 | 171 | 0 | 0 | 0 | 113.2 | P1095 W1100 S1109 | P1095-I1105 HydrophobicContact CG-CB 4.48Å; P1095-I1105 HydrophobicContact CG-CD1 3.94Å; P1095-I1105 HydrophobicContact CG-CG2 4.42Å; W1100-I1105 HydrophobicContact CD2-CB 3.94Å; W1100-I1105 HydrophobicContact CD2-CD1 4.46Å; W1100-I1105 HydrophobicContact CD2-CG1 3.87Å; W1100-I1105 HydrophobicContact CE3-CB 4.47Å; W1100-I1105 HydrophobicContact CE3-CG1 4.28Å; W1100-I1105 HydrophobicContact CG-CB 3.97Å; W1100-I1105 HydrophobicContact CG-CG1 4.38Å; W1100-I1105 HydrophobicContact CH2-CG1 4.2Å; W1100-I1105 HydrophobicContact CZ2-CD1 3.81Å; W1100-I1105 HydrophobicContact CZ2-CG1 3.79Å; W1100-I1105 HydrophobicContact CZ3-CG1 4.43Å; I1105-S1109 WeakPolarHBondContact O-CB 3.18Å; I1105-S1109 PolarHBondContact O-N 3.1Å; I1105-S1109 PolarHBondContact O-OG 3Å |
| 1106 | E | 88.2 | Confident | 88.2 | Confident | 117 Ų | 117 | 49.1 Ų | 49.1 | 55% | 0.547 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.1 | -63.7 | -177 | -74.3 | 149.6 | -179.1 | 0 | 0 | 110.7 | G1104 E1108 S1109 D1110 | G1104-E1106 VanDerWaalsContact C-N 3.3Å; G1104-E1106 PolarHBondContact O-N 2.96Å; E1106-E1108 PolarHBondContact O-N 3.07Å; E1106-S1109 PolarHBondContact O-N 3.38Å; E1106-S1109 VanDerWaalsContact O-N 3.14Å; E1106-D1110 WeakPolarHBondContact O-CB 3.35Å; E1106-D1110 PolarHBondContact O-N 3.07Å |
| 1107 | A | 89.7 | Confident | 88.7 | Confident | 56 Ų | 56 | 49 Ų | 49 | 46% | 0.463 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.6 | -31.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | R1103 R1111 | R1103-A1107 HydrophobicContact CB-CB 4.36Å; A1107-R1111 WeakPolarHBondContact O-CB 3.12Å; A1107-R1111 PolarHBondContact O-N 2.75Å |
| 1108 | E | 91.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -78 | -40 | 175.9 | -170.5 | 68.2 | -176.1 | 0 | 0 | 112.6 | W1100 P1101 G1104 E1106 D1110 R1111 I1112 | W1100-E1108 HydrophobicContact CE3-CB 4.13Å; W1100-E1108 HydrophobicContact CE3-CG 4.11Å; W1100-E1108 HydrophobicContact CZ3-CG 4.39Å; P1101-E1108 HydrophobicContact CB-CG 4.38Å; P1101-E1108 HydrophobicContact CG-CG 3.75Å; G1104-E1108 VanDerWaalsContact O-CB 3.29Å; G1104-E1108 WeakPolarHBondContact O-CB 3.4Å; G1104-E1108 PolarHBondContact O-N 3.48Å; G1104-E1108 VanDerWaalsContact O-N 3.11Å; E1106-E1108 PolarHBondContact O-N 3.07Å; E1108-D1110 PolarHBondContact O-N 3.32Å; E1108-R1111 VanDerWaalsContact CD-NE 3.35Å; E1108-R1111 PolarHBondContact O-N 3.29Å; E1108-R1111 IonicContact OE1-CZ 3.01Å; E1108-R1111 VanDerWaalsContact OE1-CZ 3.27Å; E1108-R1111 IonicContact OE1-NE 2.72Å; E1108-R1111 PolarHBondContact OE1-NE 2.82Å; E1108-R1111 IonicContact OE1-NH2 2.67Å; E1108-R1111 PolarHBondContact OE1-NH2 2.78Å; E1108-R1111 IonicContact OE2-NE 2.79Å; E1108-R1111 PolarHBondContact OE2-NE 3.45Å; E1108-R1111 VanDerWaalsContact OE2-NE 3.12Å; E1108-I1112 HydrophobicContact CG-CD1 4Å; E1108-I1112 WeakPolarHBondContact O-CD1 3.25Å; E1108-I1112 VanDerWaalsContact O-CG1 3.26Å; E1108-I1112 WeakPolarHBondContact O-CG1 3.12Å; E1108-I1112 PolarHBondContact O-N 2.74Å |
| 1109 | S | 91.5 | Very high | 89.8 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.014 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.1 | -40.4 | 172.8 | -64.1 | 0 | 0 | 0 | 0 | 110.5 | I1105 E1106 I1112 I1113 R1160 | I1105-S1109 WeakPolarHBondContact O-CB 3.18Å; I1105-S1109 PolarHBondContact O-N 3.1Å; I1105-S1109 PolarHBondContact O-OG 3Å; E1106-S1109 PolarHBondContact O-N 3.38Å; E1106-S1109 VanDerWaalsContact O-N 3.14Å; S1109-I1112 PolarHBondContact O-N 2.72Å; S1109-I1113 WeakPolarHBondContact O-CB 3.42Å; S1109-I1113 WeakPolarHBondContact O-CD1 2.95Å; S1109-I1113 VanDerWaalsContact O-CG1 3.23Å; S1109-I1113 WeakPolarHBondContact O-CG1 3.49Å; S1109-I1113 PolarHBondContact O-N 2.86Å; S1109-R1160 VanDerWaalsContact CB-NH1 3.33Å |
| 1110 | D | 92.2 | Very high | 90.2 | Very high | 64 Ų | 64 | 43.5 Ų | 43.5 | 34% | 0.342 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -73 | -34 | -178.7 | -58.8 | -20.4 | 0 | 0 | 0 | 111.5 | E1106 E1108 I1113 L1114 R1160 | E1106-D1110 WeakPolarHBondContact O-CB 3.35Å; E1106-D1110 PolarHBondContact O-N 3.07Å; E1108-D1110 PolarHBondContact O-N 3.32Å; D1110-I1113 PolarHBondContact O-N 3.04Å; D1110-L1114 WeakPolarHBondContact O-CG 3.34Å; D1110-L1114 PolarHBondContact O-N 2.87Å; D1110-R1160 IonicContact OD1-CZ 3.68Å; D1110-R1160 VanDerWaalsContact OD1-CZ 3.22Å; D1110-R1160 IonicContact OD1-NH1 3.03Å; D1110-R1160 PolarHBondContact OD1-NH1 3.5Å; D1110-R1160 IonicContact OD1-NH2 2.65Å; D1110-R1160 PolarHBondContact OD1-NH2 3.1Å; D1110-R1160 IonicContact OD2-NH2 3.12Å; D1110-R1160 PolarHBondContact OD2-NH2 2.94Å |
| 1111 | R | 94.1 | Very high | 90.2 | Very high | 9 Ų | 9 | 45.8 Ų | 45.8 | 3% | 0.034 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.2 | -47.4 | 166.2 | -174.3 | -177.5 | 79.4 | 86.9 | 2.6 | 111.4 | A1107 E1108 L1114 G1115 Y1203 I1204 S1206 C1209 | A1107-R1111 WeakPolarHBondContact O-CB 3.12Å; A1107-R1111 PolarHBondContact O-N 2.75Å; E1108-R1111 VanDerWaalsContact CD-NE 3.35Å; E1108-R1111 PolarHBondContact O-N 3.29Å; E1108-R1111 IonicContact OE1-CZ 3.01Å; E1108-R1111 VanDerWaalsContact OE1-CZ 3.27Å; E1108-R1111 IonicContact OE1-NE 2.72Å; E1108-R1111 PolarHBondContact OE1-NE 2.82Å; E1108-R1111 IonicContact OE1-NH2 2.67Å; E1108-R1111 PolarHBondContact OE1-NH2 2.78Å; E1108-R1111 IonicContact OE2-NE 2.79Å; E1108-R1111 PolarHBondContact OE2-NE 3.45Å; E1108-R1111 VanDerWaalsContact OE2-NE 3.12Å; R1111-L1114 PolarHBondContact O-N 2.82Å; R1111-G1115 PolarHBondContact O-N 2.97Å; R1111-Y1203 HydrophobicContact CG-CE1 4.19Å; R1111-Y1203 PolarHBondContact NH1-O 3.45Å; R1111-Y1203 PolarHBondContact NH2-O 2.85Å; R1111-Y1203 PolarHBondContact O-OH 2.76Å; R1111-I1204 PolarHBondContact NH2-O 2.94Å; R1111-S1206 PolarHBondContact NH1-O 2.87Å; R1111-C1209 PolarHBondContact NH1-O 3.45Å |
| 1112 | I | 94.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -70.5 | -35.9 | -177.9 | -62.6 | 163.7 | 0 | 0 | 0 | 111.1 | E1108 S1109 G1115 I1116 L1157 L1165 I1204 | E1108-I1112 HydrophobicContact CG-CD1 4Å; E1108-I1112 WeakPolarHBondContact O-CD1 3.25Å; E1108-I1112 VanDerWaalsContact O-CG1 3.26Å; E1108-I1112 WeakPolarHBondContact O-CG1 3.12Å; E1108-I1112 PolarHBondContact O-N 2.74Å; S1109-I1112 PolarHBondContact O-N 2.72Å; I1112-G1115 PolarHBondContact O-N 3.21Å; I1112-I1116 HydrophobicContact CG2-CD1 3.9Å; I1112-I1116 HydrophobicContact CG2-CG1 4.38Å; I1112-I1116 WeakPolarHBondContact O-CB 3.38Å; I1112-I1116 VanDerWaalsContact O-CG1 3.29Å; I1112-I1116 WeakPolarHBondContact O-CG1 3.24Å; I1112-I1116 PolarHBondContact O-N 3.37Å; I1112-L1157 HydrophobicContact CB-CD1 4.18Å; I1112-L1157 HydrophobicContact CG2-CD1 3.59Å; I1112-L1165 HydrophobicContact CD1-CD1 3.62Å; I1112-I1204 HydrophobicContact CD1-CG1 4.1Å; I1112-I1204 HydrophobicContact CG1-CG1 4.13Å; I1112-I1204 HydrophobicContact CG2-CD1 4.35Å; I1112-I1204 HydrophobicContact CG2-CG1 4.16Å |
| 1113 | I | 95.4 | Very high | 91.4 | Very high | 7 Ų | 7 | 44.1 Ų | 44.1 | 4% | 0.036 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.5 | -52.8 | 171.4 | -76 | 159.4 | 0 | 0 | 0 | 110.3 | S1109 D1110 G1115 I1116 E1117 K1154 L1157 H1158 | S1109-I1113 WeakPolarHBondContact O-CB 3.42Å; S1109-I1113 WeakPolarHBondContact O-CD1 2.95Å; S1109-I1113 VanDerWaalsContact O-CG1 3.23Å; S1109-I1113 WeakPolarHBondContact O-CG1 3.49Å; S1109-I1113 PolarHBondContact O-N 2.86Å; D1110-I1113 PolarHBondContact O-N 3.04Å; I1113-G1115 VanDerWaalsContact C-N 3.31Å; I1113-G1115 PolarHBondContact O-N 2.78Å; I1113-I1116 CarbonylContact O-C 3.59Å; I1113-I1116 PolarHBondContact O-N 3.48Å; I1113-I1116 VanDerWaalsContact O-N 3.08Å; I1113-E1117 HydrophobicContact CG2-CG 4.44Å; I1113-E1117 WeakPolarHBondContact O-CG 3.3Å; I1113-E1117 PolarHBondContact O-N 3.15Å; I1113-K1154 HydrophobicContact CG1-CG 4.31Å; I1113-K1154 HydrophobicContact CG2-CD 4.38Å; I1113-K1154 HydrophobicContact CG2-CG 4.2Å; I1113-L1157 HydrophobicContact CD1-CB 3.8Å; I1113-L1157 HydrophobicContact CG1-CB 3.62Å; I1113-L1157 HydrophobicContact CG1-CD1 4.24Å; I1113-H1158 VanDerWaalsContact CG2-CE1 3.47Å; I1113-H1158 WeakPolarHBondContact CG2-CE1 3.48Å |
| 1114 | L | 94.1 | Very high | 91.8 | Very high | 112 Ų | 112 | 39.7 Ų | 39.7 | 59% | 0.586 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -61.8 | -38.6 | 179.7 | -69.7 | 168.9 | 0 | 0 | 0 | 112.2 | D1110 R1111 E1117 H1118 | D1110-L1114 WeakPolarHBondContact O-CG 3.34Å; D1110-L1114 PolarHBondContact O-N 2.87Å; R1111-L1114 PolarHBondContact O-N 2.82Å; L1114-E1117 PolarHBondContact O-N 3.46Å; L1114-H1118 PolarHBondContact O-N 3.49Å |
| 1115 | G | 93.8 | Very high | 92.4 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.4 | -42.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R1111 I1112 I1113 L1119 | R1111-G1115 PolarHBondContact O-N 2.97Å; I1112-G1115 PolarHBondContact O-N 3.21Å; I1113-G1115 VanDerWaalsContact C-N 3.31Å; I1113-G1115 PolarHBondContact O-N 2.78Å; G1115-L1119 WeakPolarHBondContact O-CB 3.28Å; G1115-L1119 PolarHBondContact O-N 3.21Å |
| 1116 | I | 95.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.5 | -41.9 | 175.3 | -72.4 | 169.8 | 0 | 0 | 0 | 110.9 | I1112 I1113 L1119 M1120 L1150 I1153 K1154 L1157 L1200 | I1112-I1116 HydrophobicContact CG2-CD1 3.9Å; I1112-I1116 HydrophobicContact CG2-CG1 4.38Å; I1112-I1116 WeakPolarHBondContact O-CB 3.38Å; I1112-I1116 VanDerWaalsContact O-CG1 3.29Å; I1112-I1116 WeakPolarHBondContact O-CG1 3.24Å; I1112-I1116 PolarHBondContact O-N 3.37Å; I1113-I1116 CarbonylContact O-C 3.59Å; I1113-I1116 PolarHBondContact O-N 3.48Å; I1113-I1116 VanDerWaalsContact O-N 3.08Å; I1116-L1119 PolarHBondContact O-N 3.33Å; I1116-M1120 HydrophobicContact CG2-CG 4.15Å; I1116-M1120 HydrophobicContact CG2-SD 3.63Å; I1116-M1120 WeakPolarHBondContact O-CB 3.3Å; I1116-M1120 WeakPolarHBondContact O-CG 3.17Å; I1116-M1120 PolarHBondContact O-N 2.78Å; I1116-L1150 HydrophobicContact CG2-CB 4.15Å; I1116-L1150 HydrophobicContact CG2-CD2 4.49Å; I1116-I1153 HydrophobicContact CD1-CG2 3.78Å; I1116-K1154 HydrophobicContact CG2-CB 4.19Å; I1116-L1157 HydrophobicContact CD1-CD1 3.7Å; I1116-L1200 HydrophobicContact CD1-CD1 4.47Å; I1116-L1200 HydrophobicContact CD1-CD2 4.21Å; I1116-L1200 HydrophobicContact CG1-CD1 3.73Å; I1116-L1200 HydrophobicContact CG1-CD2 3.83Å; I1116-L1200 HydrophobicContact CG1-CG 4.46Å |
| 1117 | E | 95.4 | Very high | 92.7 | Very high | 77 Ų | 77 | 40.5 Ų | 40.5 | 36% | 0.36 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.6 | -40.1 | -180 | -71.5 | -176.9 | 142.9 | 0 | 0 | 112.7 | I1113 L1114 G1121 K1154 | I1113-E1117 HydrophobicContact CG2-CG 4.44Å; I1113-E1117 WeakPolarHBondContact O-CG 3.3Å; I1113-E1117 PolarHBondContact O-N 3.15Å; L1114-E1117 PolarHBondContact O-N 3.46Å; E1117-G1121 PolarHBondContact O-N 3.17Å; E1117-K1154 HydrophobicContact CG-CD 3.42Å; E1117-K1154 VanDerWaalsContact CG-CD 3.42Å; E1117-K1154 WeakPolarHBondContact OE1-CD 2.95Å; E1117-K1154 WeakPolarHBondContact OE1-CE 3.48Å; E1117-K1154 IonicContact OE1-NZ 3.59Å; E1117-K1154 PolarHBondContact OE1-NZ 2.81Å |
| 1118 | H | 93.6 | Very high | 93.1 | Very high | 95 Ų | 95 | 38.8 Ų | 38.8 | 44% | 0.44 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.7 | -44.3 | 170.9 | -174.1 | 109.1 | 0 | 0 | 0 | 111.2 | L1114 M1120 G1121 I1212 | L1114-H1118 PolarHBondContact O-N 3.49Å; H1118-M1120 VanDerWaalsContact C-N 3.34Å; H1118-M1120 PolarHBondContact O-N 2.77Å; H1118-G1121 PolarHBondContact O-N 3.11Å; H1118-I1212 HydrophobicContact CB-CG2 3.78Å; H1118-I1212 VanDerWaalsContact CD2-CG2 3.45Å; H1118-I1212 WeakPolarHBondContact CD2-CG2 3.28Å |
| 1119 | L | 94.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.9 | -37.8 | 178.5 | -179 | 56.9 | 0 | 0 | 0 | 112.4 | G1115 I1116 G1121 L1122 A1125 V1196 I1199 L1200 I1212 | G1115-L1119 WeakPolarHBondContact O-CB 3.28Å; G1115-L1119 PolarHBondContact O-N 3.21Å; I1116-L1119 PolarHBondContact O-N 3.33Å; L1119-G1121 PolarHBondContact O-N 3.49Å; L1119-L1122 HydrophobicContact CD1-CD1 3.96Å; L1119-L1122 WeakPolarHBondContact O-CB 3.49Å; L1119-L1122 PolarHBondContact O-N 3.3Å; L1119-A1125 HydrophobicContact CD1-CB 4.43Å; L1119-A1125 HydrophobicContact CG-CB 4.32Å; L1119-A1125 WeakPolarHBondContact O-CB 3.2Å; L1119-V1196 HydrophobicContact CD2-CG1 4.17Å; L1119-I1199 HydrophobicContact CD1-CG2 4.23Å; L1119-I1199 HydrophobicContact CD2-CG2 4.41Å; L1119-L1200 HydrophobicContact CD2-CB 3.93Å; L1119-L1200 HydrophobicContact CD2-CD1 4.43Å; L1119-L1200 HydrophobicContact CD2-CD2 4.35Å; L1119-L1200 HydrophobicContact CD2-CG 4.47Å; L1119-I1212 HydrophobicContact CB-CD1 4.24Å; L1119-I1212 HydrophobicContact CB-CG2 4.5Å; L1119-I1212 HydrophobicContact CD2-CD1 4.12Å |
| 1120 | M | 95 | Very high | 93.3 | Very high | 37 Ų | 37 | 43.6 Ų | 43.6 | 18% | 0.182 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.4 | -20.4 | 173.6 | -73.6 | 166.3 | 77.4 | 0 | 0 | 113.1 | I1116 H1118 V1129 L1150 N1151 K1154 | I1116-M1120 HydrophobicContact CG2-CG 4.15Å; I1116-M1120 HydrophobicContact CG2-SD 3.63Å; I1116-M1120 WeakPolarHBondContact O-CB 3.3Å; I1116-M1120 WeakPolarHBondContact O-CG 3.17Å; I1116-M1120 PolarHBondContact O-N 2.78Å; H1118-M1120 VanDerWaalsContact C-N 3.34Å; H1118-M1120 PolarHBondContact O-N 2.77Å; M1120-V1129 HydrophobicContact CB-CG2 4.28Å; M1120-V1129 HydrophobicContact CE-CG1 3.81Å; M1120-V1129 HydrophobicContact CG-CG2 4.43Å; M1120-L1150 HydrophobicContact CG-CB 3.81Å; M1120-L1150 HydrophobicContact CG-CD1 3.8Å; M1120-L1150 HydrophobicContact CG-CG 4.44Å; M1120-L1150 HydrophobicContact SD-CB 4.08Å; M1120-N1151 HydrophobicContact CE-CB 4.09Å; M1120-K1154 HydrophobicContact SD-CD 4.43Å |
| 1121 | G | 90.7 | Very high | 93.3 | Very high | 65 Ų | 65 | 44.4 Ų | 44.4 | 67% | 0.67 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -6.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115 | E1117 H1118 L1119 | E1117-G1121 PolarHBondContact O-N 3.17Å; H1118-G1121 PolarHBondContact O-N 3.11Å; L1119-G1121 PolarHBondContact O-N 3.49Å |
| 1122 | L | 91.2 | Very high | 93.2 | Very high | 29 Ų | 29 | 46.2 Ų | 46.2 | 15% | 0.152 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -91.1 | 139.2 | -179.5 | -62.4 | 176.2 | 0 | 0 | 0 | 111.3 | L1119 C1124 A1125 Y1216 | L1119-L1122 HydrophobicContact CD1-CD1 3.96Å; L1119-L1122 WeakPolarHBondContact O-CB 3.49Å; L1119-L1122 PolarHBondContact O-N 3.3Å; L1122-C1124 PolarHBondContact O-N 3.01Å; L1122-A1125 WeakPolarHBondContact O-CB 3.34Å; L1122-A1125 PolarHBondContact O-N 3.18Å; L1122-Y1216 HydrophobicContact CD1-CD1 3.7Å; L1122-Y1216 HydrophobicContact CD1-CD2 4.27Å; L1122-Y1216 HydrophobicContact CD1-CE1 4.24Å; L1122-Y1216 HydrophobicContact CD1-CG 3.7Å; L1122-Y1216 HydrophobicContact CD2-CD1 4.02Å; L1122-Y1216 HydrophobicContact CD2-CE1 4.03Å; L1122-Y1216 HydrophobicContact CG-CD1 4.41Å |
| 1123 | P | 87.7 | Confident | 92.8 | Very high | 90 Ų | 90 | 50 Ų | 50 | 58% | 0.584 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -18.6 | -175.3 | -27 | 35.2 | 0 | 0 | 0 | 116 | A1125 | P1123-A1125 VanDerWaalsContact C-N 3.29Š|
| 1124 | C | 89.8 | Confident | 92.4 | Very high | 6 Ų | 6 | 51.3 Ų | 51.3 | 4% | 0.041 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -17.6 | 174 | 60.4 | 0 | 0 | 0 | 0 | 113.7 | L1122 L1195 V1196 Y1216 | L1122-C1124 PolarHBondContact O-N 3.01Å; C1124-L1195 HydrophobicContact CB-CD2 3.99Å; C1124-V1196 HydrophobicContact CB-CG2 4.29Å; C1124-V1196 WeakPolarHBondContact O-CG2 3.2Å; C1124-Y1216 HydrophobicContact CB-CE2 4.26Å; C1124-Y1216 VanDerWaalsContact SG-CE2 3.55Å |
| 1125 | A | 93.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -18.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L1119 L1122 P1123 P1127 F1128 V1129 L1150 V1196 | L1119-A1125 HydrophobicContact CD1-CB 4.43Å; L1119-A1125 HydrophobicContact CG-CB 4.32Å; L1119-A1125 WeakPolarHBondContact O-CB 3.2Å; L1122-A1125 WeakPolarHBondContact O-CB 3.34Å; L1122-A1125 PolarHBondContact O-N 3.18Å; P1123-A1125 VanDerWaalsContact C-N 3.29Å; A1125-P1127 VanDerWaalsContact C-CD 3.42Å; A1125-P1127 VanDerWaalsContact C-N 3.34Å; A1125-P1127 VanDerWaalsContact O-N 3.13Å; A1125-F1128 WeakPolarHBondContact O-CA 3.22Å; A1125-F1128 PolarHBondContact O-N 3.25Å; A1125-V1129 PolarHBondContact O-N 3.02Å; A1125-L1150 HydrophobicContact CB-CD1 3.84Å; A1125-V1196 HydrophobicContact CB-CG2 4.15Å |
| 1126 | E | 91.8 | Very high | 91.3 | Very high | 149 Ų | 149 | 57.6 Ų | 57.6 | 70% | 0.696 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -42.5 | -47.9 | -175.4 | -179.4 | -178.6 | -165.6 | 0 | 0 | 114.2 | F1128 V1129 | E1126-F1128 PolarHBondContact O-N 3.19Å; E1126-V1129 PolarHBondContact O-N 2.92Å |
| 1127 | P | 92.2 | Very high | 90.8 | Very high | 51 Ų | 51 | 62.7 Ų | 62.7 | 33% | 0.331 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -70.9 | -3.8 | -178.6 | -16.3 | 32.3 | 0 | 0 | 0 | 115.2 | A1125 I1189 | A1125-P1127 VanDerWaalsContact C-CD 3.42Å; A1125-P1127 VanDerWaalsContact C-N 3.34Å; A1125-P1127 VanDerWaalsContact O-N 3.13Å; P1127-I1189 HydrophobicContact CB-CD1 3.85Å; P1127-I1189 HydrophobicContact CB-CG1 4.07Å; P1127-I1189 HydrophobicContact CG-CG1 4.45Å |
| 1128 | F | 96.3 | Very high | 90 | Very high | 19 Ų | 19 | 60.4 Ų | 60.4 | 8% | 0.083 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -125.2 | 8.8 | -176.2 | -38.2 | -69 | 0 | 0 | 0 | 112.7 | A1125 E1126 A1130 L1150 I1175 A1179 I1189 Q1192 A1193 V1196 | A1125-F1128 WeakPolarHBondContact O-CA 3.22Å; A1125-F1128 PolarHBondContact O-N 3.25Å; E1126-F1128 PolarHBondContact O-N 3.19Å; F1128-A1130 VanDerWaalsContact C-N 3.27Å; F1128-A1130 PolarHBondContact O-N 3.02Å; F1128-L1150 HydrophobicContact CB-CD1 4.35Å; F1128-L1150 HydrophobicContact CB-CG 4.33Å; F1128-L1150 WeakPolarHBondContact O-CB 3.2Å; F1128-L1150 WeakPolarHBondContact O-CG 3.48Å; F1128-L1150 PolarHBondContact O-N 3.13Å; F1128-I1175 HydrophobicContact CB-CG2 4.05Å; F1128-I1175 HydrophobicContact CD1-CG2 3.69Å; F1128-I1175 HydrophobicContact CD2-CG2 4.43Å; F1128-I1175 HydrophobicContact CE1-CG2 4.33Å; F1128-I1175 HydrophobicContact CG-CG2 3.76Å; F1128-A1179 HydrophobicContact CE1-CB 4.47Å; F1128-I1189 HydrophobicContact CE1-CD1 4.3Å; F1128-I1189 HydrophobicContact CE1-CG1 3.85Å; F1128-I1189 HydrophobicContact CZ-CD1 4.49Å; F1128-I1189 HydrophobicContact CZ-CG1 3.65Å; F1128-I1189 WeakPolarHBondContact CZ-O 3.32Å; F1128-Q1192 HydrophobicContact CE2-CB 3.94Å; F1128-Q1192 HydrophobicContact CZ-CB 4.27Å; F1128-A1193 HydrophobicContact CE1-CB 3.84Å; F1128-A1193 HydrophobicContact CE2-CB 4.1Å; F1128-A1193 HydrophobicContact CZ-CB 3.52Å; F1128-V1196 HydrophobicContact CD2-CG2 4.26Å; F1128-V1196 HydrophobicContact CE2-CG2 4.47Å |
| 1129 | V | 95.8 | Very high | 89.7 | Confident | 49 Ų | 49 | 61.3 Ų | 61.3 | 30% | 0.297 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -63.2 | -32.5 | 179.8 | 166.7 | 0 | 0 | 0 | 0 | 112 | M1120 A1125 E1126 N1151 | M1120-V1129 HydrophobicContact CB-CG2 4.28Å; M1120-V1129 HydrophobicContact CE-CG1 3.81Å; M1120-V1129 HydrophobicContact CG-CG2 4.43Å; A1125-V1129 PolarHBondContact O-N 3.02Å; E1126-V1129 PolarHBondContact O-N 2.92Å; V1129-N1151 WeakPolarHBondContact O-CB 3.34Å; V1129-N1151 PolarHBondContact O-N 3.45Å |
| 1130 | A | 92.3 | Very high | 89.5 | Confident | 54 Ų | 54 | 62.2 Ų | 62.2 | 45% | 0.446 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -138.8 | 166 | -176 | 0 | 0 | 0 | 0 | 0 | 111.8 | F1128 D1149 | F1128-A1130 VanDerWaalsContact C-N 3.27Å; F1128-A1130 PolarHBondContact O-N 3.02Å; A1130-D1149 WeakPolarHBondContact O-CB 3.21Å |
| 1131 | P | 92.4 | Very high | 89.1 | Confident | 81 Ų | 81 | 60.5 Ų | 60.5 | 53% | 0.526 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 137.2 | 172.5 | -20.3 | 30.4 | 0 | 0 | 0 | 111.7 | D1133 D1149 | P1131-D1133 PolarHBondContact O-N 3.26Å; P1131-D1149 WeakPolarHBondContact CD-OD1 3.03Å; P1131-D1149 WeakPolarHBondContact CG-OD2 3.48Å |
| 1132 | V | 92.1 | Very high | 88.8 | Confident | 48 Ų | 48 | 59.4 Ų | 59.4 | 29% | 0.291 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 123.7 | 178.4 | 178.6 | 0 | 0 | 0 | 0 | 110.4 | I1134 Y1137 Y1140 | V1132-I1134 PolarHBondContact O-N 3.48Å; V1132-Y1137 HydrophobicContact CG1-CD2 3.56Å; V1132-Y1137 HydrophobicContact CG1-CE2 4.41Å; V1132-Y1137 HydrophobicContact CG1-CG 3.91Å; V1132-Y1140 HydrophobicContact CB-CD1 4.03Å; V1132-Y1140 HydrophobicContact CB-CE1 3.86Å; V1132-Y1140 HydrophobicContact CB-CE2 4.38Å; V1132-Y1140 HydrophobicContact CB-CG 4.35Å; V1132-Y1140 HydrophobicContact CG1-CD1 4.13Å; V1132-Y1140 HydrophobicContact CG1-CD2 4.12Å; V1132-Y1140 HydrophobicContact CG1-CE1 4.4Å; V1132-Y1140 HydrophobicContact CG1-CE2 4.38Å; V1132-Y1140 HydrophobicContact CG1-CG 3.98Å; V1132-Y1140 HydrophobicContact CG2-CE1 4.03Å; V1132-Y1140 HydrophobicContact CG2-CE2 3.99Å |
| 1133 | D | 86.8 | Confident | 88.6 | Confident | 80 Ų | 80 | 61 Ų | 61 | 43% | 0.428 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 120.1 | 177.7 | -171.8 | -2.2 | 0 | 0 | 0 | 110.9 | P1131 N1135 E1136 Y1137 | P1131-D1133 PolarHBondContact O-N 3.26Å; D1133-N1135 PolarHBondContact O-N 3.1Å; D1133-N1135 WeakPolarHBondContact OD1-CB 3.16Å; D1133-N1135 PolarHBondContact OD1-N 2.81Å; D1133-N1135 PolarHBondContact OD1-ND2 2.98Å; D1133-E1136 HydrophobicContact CB-CB 4.25Å; D1133-E1136 PolarHBondContact O-N 3.49Å; D1133-Y1137 PolarHBondContact O-N 3.43Å |
| 1134 | I | 86.4 | Confident | 88.9 | Confident | 33 Ų | 33 | 56.8 Ų | 56.8 | 17% | 0.169 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -17.4 | -178.1 | -54.7 | 172.8 | 0 | 0 | 0 | 110.9 | V890 N895 F896 V1132 P1138 A1141 | V890-I1134 HydrophobicContact CB-CG2 3.81Å; V890-I1134 HydrophobicContact CG1-CG2 4.26Å; V890-I1134 HydrophobicContact CG2-CG2 3.65Å; N895-I1134 WeakPolarHBondContact OD1-CD1 3.37Å; F896-I1134 HydrophobicContact CD2-CD1 3.67Å; F896-I1134 HydrophobicContact CE2-CD1 3.85Å; F896-I1134 HydrophobicContact CE2-CG1 4.44Å; V1132-I1134 PolarHBondContact O-N 3.48Å; I1134-P1138 VanDerWaalsContact O-CA 3.23Å; I1134-P1138 WeakPolarHBondContact O-CA 3.44Å; I1134-A1141 HydrophobicContact CD1-CB 4.37Å; I1134-A1141 HydrophobicContact CG2-CB 4.02Å |
| 1135 | N | 80.4 | Confident | 88.9 | Confident | 128 Ų | 128 | 57.4 Ų | 57.4 | 68% | 0.684 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -38.6 | 173 | -57.1 | -75.3 | 0 | 0 | 0 | 111.7 | D1133 | D1133-N1135 PolarHBondContact O-N 3.1Å; D1133-N1135 WeakPolarHBondContact OD1-CB 3.16Å; D1133-N1135 PolarHBondContact OD1-N 2.81Å; D1133-N1135 PolarHBondContact OD1-ND2 2.98Å |
| 1136 | E | 83.6 | Confident | 88.9 | Confident | 118 Ų | 118 | 57.4 Ų | 57.4 | 55% | 0.551 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -42.5 | 176 | -171.6 | 172.8 | -144.5 | 0 | 0 | 111.7 | D1133 P1138 | D1133-E1136 HydrophobicContact CB-CB 4.25Å; D1133-E1136 PolarHBondContact O-N 3.49Å; E1136-P1138 WeakPolarHBondContact O-CD 3.36Å |
| 1137 | Y | 86.2 | Confident | 89 | Confident | 108 Ų | 108 | 51.2 Ų | 51.2 | 42% | 0.424 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -113 | 66.9 | -179.2 | -59.2 | -83.7 | 0 | 0 | 0 | 112.2 | V1132 D1133 L1139 Y1140 F1182 | V1132-Y1137 HydrophobicContact CG1-CD2 3.56Å; V1132-Y1137 HydrophobicContact CG1-CE2 4.41Å; V1132-Y1137 HydrophobicContact CG1-CG 3.91Å; D1133-Y1137 PolarHBondContact O-N 3.43Å; Y1137-L1139 PolarHBondContact O-N 3.49Å; Y1137-Y1140 WeakPolarHBondContact O-CB 3.22Å; Y1137-Y1140 PolarHBondContact O-N 2.9Å; Y1137-F1182 HydrophobicContact CD1-CE1 4.15Å |
| 1138 | P | 79 | Confident | 89.1 | Confident | 28 Ų | 28 | 49.2 Ų | 49.2 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -18.4 | -170 | 27.8 | -39.3 | 0 | 0 | 0 | 115.4 | P887 V890 I1134 E1136 | P887-P1138 HydrophobicContact CB-CG 3.77Å; V890-P1138 HydrophobicContact CG2-CB 3.31Å; V890-P1138 WeakPolarHBondContact CG2-O 3.35Å; I1134-P1138 VanDerWaalsContact O-CA 3.23Å; I1134-P1138 WeakPolarHBondContact O-CA 3.44Å; E1136-P1138 WeakPolarHBondContact O-CD 3.36Å |
| 1139 | L | 86.1 | Confident | 89.1 | Confident | 114 Ų | 114 | 48.6 Ų | 48.6 | 60% | 0.597 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -19.3 | 174.6 | -63.4 | 179.7 | 0 | 0 | 0 | 112.6 | Y1137 A1141 S1142 V1143 F1182 | Y1137-L1139 PolarHBondContact O-N 3.49Å; L1139-A1141 PolarHBondContact O-N 3.2Å; L1139-S1142 WeakPolarHBondContact O-CA 3.47Å; L1139-S1142 WeakPolarHBondContact O-CB 3.48Å; L1139-S1142 PolarHBondContact O-N 2.89Å; L1139-S1142 PolarHBondContact O-OG 2.92Å; L1139-V1143 WeakPolarHBondContact O-CG2 3.41Å; L1139-V1143 PolarHBondContact O-N 2.88Å; L1139-F1182 HydrophobicContact CB-CE2 3.82Å; L1139-F1182 HydrophobicContact CB-CZ 4.22Å |
| 1140 | Y | 90.7 | Very high | 89.2 | Confident | 20 Ų | 20 | 46.3 Ų | 46.3 | 8% | 0.078 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58 | -52.5 | -171.9 | -169.8 | -101 | 0 | 0 | 0 | 112.1 | F896 V1132 Y1137 S1142 V1143 I1144 F1182 | F896-Y1140 HydrophobicContact CE2-CD1 4.24Å; F896-Y1140 HydrophobicContact CZ-CD1 4.15Å; F896-Y1140 HydrophobicContact CZ-CE1 4.31Å; V1132-Y1140 HydrophobicContact CB-CD1 4.03Å; V1132-Y1140 HydrophobicContact CB-CE1 3.86Å; V1132-Y1140 HydrophobicContact CB-CE2 4.38Å; V1132-Y1140 HydrophobicContact CB-CG 4.35Å; V1132-Y1140 HydrophobicContact CG1-CD1 4.13Å; V1132-Y1140 HydrophobicContact CG1-CD2 4.12Å; V1132-Y1140 HydrophobicContact CG1-CE1 4.4Å; V1132-Y1140 HydrophobicContact CG1-CE2 4.38Å; V1132-Y1140 HydrophobicContact CG1-CG 3.98Å; V1132-Y1140 HydrophobicContact CG2-CE1 4.03Å; V1132-Y1140 HydrophobicContact CG2-CE2 3.99Å; Y1137-Y1140 WeakPolarHBondContact O-CB 3.22Å; Y1137-Y1140 PolarHBondContact O-N 2.9Å; Y1140-S1142 PolarHBondContact O-N 3.45Å; Y1140-V1143 PolarHBondContact O-N 3.28Å; Y1140-V1143 VanDerWaalsContact O-N 3.08Å; Y1140-I1144 HydrophobicContact CD1-CG1 4.29Å; Y1140-I1144 HydrophobicContact CD2-CG1 3.79Å; Y1140-I1144 HydrophobicContact CE1-CB 4.32Å; Y1140-I1144 HydrophobicContact CE1-CG1 4.07Å; Y1140-I1144 HydrophobicContact CE1-CG2 4.37Å; Y1140-I1144 HydrophobicContact CE2-CD1 4.38Å; Y1140-I1144 HydrophobicContact CE2-CG1 3.54Å; Y1140-I1144 HydrophobicContact CG-CG1 4.16Å; Y1140-I1144 WeakPolarHBondContact O-CB 3.32Å; Y1140-I1144 PolarHBondContact O-N 3.09Å; Y1140-F1182 VanDerWaalsContact CA-CE2 3.46Å; Y1140-F1182 HydrophobicContact CD2-CB 4.17Å; Y1140-F1182 AromaticContact CD2-CD1 3.78Å; Y1140-F1182 HydrophobicContact CD2-CD1 3.78Å; Y1140-F1182 AromaticContact CD2-CD2 3.97Å; Y1140-F1182 HydrophobicContact CD2-CD2 3.97Å; Y1140-F1182 HydrophobicContact CD2-CE1 4.09Å; Y1140-F1182 HydrophobicContact CD2-CE2 4.3Å; Y1140-F1182 AromaticContact CD2-CG 3.7Å; Y1140-F1182 HydrophobicContact CD2-CG 3.7Å; Y1140-F1182 HydrophobicContact CD2-CZ 4.34Å; Y1140-F1182 HydrophobicContact CE2-CB 4.29Å; Y1140-F1182 HydrophobicContact CE2-CD1 4.38Å; Y1140-F1182 HydrophobicContact CE2-CG 4.28Å |
| 1141 | A | 86.2 | Confident | 89.3 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.7 | -22.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V890 F896 R971 I1134 L1139 | V890-A1141 HydrophobicContact CG1-CB 4.35Å; F896-A1141 HydrophobicContact CD2-CB 4.39Å; F896-A1141 HydrophobicContact CE2-CB 3.84Å; F896-A1141 HydrophobicContact CZ-CB 4.06Å; R971-A1141 PolarHBondContact NH2-O 3.38Å; I1134-A1141 HydrophobicContact CD1-CB 4.37Å; I1134-A1141 HydrophobicContact CG2-CB 4.02Å; L1139-A1141 PolarHBondContact O-N 3.2Å |
| 1142 | S | 84.5 | Confident | 89.5 | Confident | 43 Ų | 43 | 42.9 Ų | 42.9 | 30% | 0.301 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -83.6 | -13.5 | 175.6 | 76.9 | 0 | 0 | 0 | 0 | 114.6 | L1139 Y1140 | L1139-S1142 WeakPolarHBondContact O-CA 3.47Å; L1139-S1142 WeakPolarHBondContact O-CB 3.48Å; L1139-S1142 PolarHBondContact O-N 2.89Å; L1139-S1142 PolarHBondContact O-OG 2.92Å; Y1140-S1142 PolarHBondContact O-N 3.45Å |
| 1143 | V | 88.2 | Confident | 89.7 | Confident | 63 Ų | 63 | 40.6 Ų | 40.6 | 38% | 0.382 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -116.7 | -42.9 | -172.4 | 172.1 | 0 | 0 | 0 | 0 | 112.6 | L1139 Y1140 T1181 F1182 | L1139-V1143 WeakPolarHBondContact O-CG2 3.41Å; L1139-V1143 PolarHBondContact O-N 2.88Å; Y1140-V1143 PolarHBondContact O-N 3.28Å; Y1140-V1143 VanDerWaalsContact O-N 3.08Å; V1143-T1181 HydrophobicContact CG1-CG2 4.17Å; V1143-F1182 HydrophobicContact CB-CD2 4.15Å; V1143-F1182 HydrophobicContact CG1-CD2 4.21Å |
| 1144 | I | 92.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -76.9 | 137.8 | 178.8 | -65.2 | -48.8 | 0 | 0 | 0 | 110.5 | F896 R971 Y1140 Y1146 N1178 T1181 F1182 | F896-I1144 HydrophobicContact CZ-CG2 4.47Å; R971-I1144 PolarHBondContact NH1-O 2.99Å; Y1140-I1144 HydrophobicContact CD1-CG1 4.29Å; Y1140-I1144 HydrophobicContact CD2-CG1 3.79Å; Y1140-I1144 HydrophobicContact CE1-CB 4.32Å; Y1140-I1144 HydrophobicContact CE1-CG1 4.07Å; Y1140-I1144 HydrophobicContact CE1-CG2 4.37Å; Y1140-I1144 HydrophobicContact CE2-CD1 4.38Å; Y1140-I1144 HydrophobicContact CE2-CG1 3.54Å; Y1140-I1144 HydrophobicContact CG-CG1 4.16Å; Y1140-I1144 WeakPolarHBondContact O-CB 3.32Å; Y1140-I1144 PolarHBondContact O-N 3.09Å; I1144-Y1146 WeakPolarHBondContact CG2-O 3.38Å; I1144-N1178 HydrophobicContact CD1-CB 3.93Å; I1144-N1178 WeakPolarHBondContact CD1-O 3.2Å; I1144-N1178 HydrophobicContact CG1-CB 4.42Å; I1144-N1178 HydrophobicContact CG2-CB 4.36Å; I1144-N1178 WeakPolarHBondContact CG2-OD1 3.48Å; I1144-T1181 HydrophobicContact CD1-CG2 4.03Å; I1144-F1182 HydrophobicContact CD1-CB 4Å; I1144-F1182 HydrophobicContact CG1-CB 4.38Å | ||
| 1145 | D | 90.9 | Very high | 90.6 | Very high | 20 Ų | 20 | 40.4 Ų | 40.4 | 11% | 0.107 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -85.1 | -36.7 | -178.5 | 65.9 | -40.2 | 0 | 0 | 0 | 113.2 | F965 V967 R971 Y1174 K1177 | F965-D1145 HydrophobicContact CB-CB 3.95Å; F965-D1145 WeakPolarHBondContact O-CB 3.43Å; F965-D1145 VanDerWaalsContact O-OD2 3.12Å; V967-D1145 HydrophobicContact CG2-CB 4.03Å; R971-D1145 WeakPolarHBondContact CD-O 3.35Å; R971-D1145 VanDerWaalsContact NH1-C 3.32Å; R971-D1145 PolarHBondContact NH1-O 2.99Å; D1145-Y1174 PolarHBondContact OD2-OH 3.2Å; D1145-K1177 IonicContact OD1-NZ 2.88Å; D1145-K1177 PolarHBondContact OD1-NZ 3.39Å; D1145-K1177 IonicContact OD2-NZ 2.63Å; D1145-K1177 PolarHBondContact OD2-NZ 3.47Å |
| 1146 | Y | 93.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -147.2 | 122.5 | -179.3 | 179.9 | -110.1 | 0 | 0 | 0 | 110.6 | I900 F911 F965 I1144 C1148 R1156 Y1174 N1178 | I900-Y1146 HydrophobicContact CG2-CD2 3.73Å; I900-Y1146 HydrophobicContact CG2-CE2 3.95Å; F911-Y1146 HydrophobicContact CE2-CE2 4.33Å; F911-Y1146 AromaticContact CZ-CE2 3.82Å; F911-Y1146 HydrophobicContact CZ-CE2 3.82Å; F911-Y1146 AromaticContact CZ-CZ 3.92Å; F911-Y1146 VanDerWaalsContact CZ-OH 3.27Å; F911-Y1146 WeakPolarHBondContact CZ-OH 3.26Å; F965-Y1146 HydrophobicContact CD1-CD2 4.34Å; F965-Y1146 HydrophobicContact CD2-CD1 4.47Å; F965-Y1146 AromaticContact CD2-CD2 3.66Å; F965-Y1146 HydrophobicContact CD2-CD2 3.66Å; F965-Y1146 HydrophobicContact CD2-CE2 4.44Å; F965-Y1146 AromaticContact CD2-CG 3.68Å; F965-Y1146 HydrophobicContact CD2-CG 3.68Å; F965-Y1146 HydrophobicContact CE1-CD2 4.06Å; F965-Y1146 HydrophobicContact CE1-CE2 4.41Å; F965-Y1146 HydrophobicContact CE2-CD1 4.27Å; F965-Y1146 AromaticContact CE2-CD2 3.32Å; F965-Y1146 HydrophobicContact CE2-CD2 3.32Å; F965-Y1146 AromaticContact CE2-CE2 3.67Å; F965-Y1146 HydrophobicContact CE2-CE2 3.67Å; F965-Y1146 AromaticContact CE2-CG 3.67Å; F965-Y1146 HydrophobicContact CE2-CG 3.67Å; F965-Y1146 HydrophobicContact CG-CD2 4.16Å; F965-Y1146 HydrophobicContact CG-CG 4.38Å; F965-Y1146 AromaticContact CZ-CD2 3.55Å; F965-Y1146 HydrophobicContact CZ-CD2 3.55Å; F965-Y1146 AromaticContact CZ-CE2 3.65Å; F965-Y1146 HydrophobicContact CZ-CE2 3.65Å; F965-Y1146 HydrophobicContact CZ-CG 4.35Å; I1144-Y1146 WeakPolarHBondContact CG2-O 3.38Å; Y1146-C1148 WeakPolarHBondContact CE1-SG 3.33Å; Y1146-R1156 PolarHBondContact OH-NH1 2.89Å; Y1146-Y1174 AromaticContact CD1-CD1 3.83Å; Y1146-Y1174 HydrophobicContact CD1-CD1 3.83Å; Y1146-Y1174 HydrophobicContact CD1-CD2 4.07Å; Y1146-Y1174 AromaticContact CD1-CE1 3.92Å; Y1146-Y1174 HydrophobicContact CD1-CE1 3.92Å; Y1146-Y1174 HydrophobicContact CD1-CE2 4.18Å; Y1146-Y1174 AromaticContact CD1-CG 3.89Å; Y1146-Y1174 HydrophobicContact CD1-CG 3.89Å; Y1146-Y1174 HydrophobicContact CG-CD1 4.42Å; Y1146-Y1174 HydrophobicContact CG-CE1 4.18Å; Y1146-N1178 PolarHBondContact O-ND2 2.83Å; Y1146-N1178 PolarHBondContact O-OD1 3.04Å |
| 1147 | P | 93.8 | Very high | 91.8 | Very high | 19 Ų | 19 | 28.8 Ų | 28.8 | 12% | 0.123 | 15% | 0.152 | C | C | . | . | trans | -80.5 | 139.6 | -176.3 | 33.9 | -32.7 | 0 | 0 | 0 | 111 | F896 I900 T901 | F896-P1147 HydrophobicContact CB-CG 4.33Å; F896-P1147 HydrophobicContact CD1-CB 4.35Å; F896-P1147 HydrophobicContact CD1-CG 3.68Å; F896-P1147 HydrophobicContact CD2-CB 4.37Å; F896-P1147 HydrophobicContact CD2-CG 4.12Å; F896-P1147 HydrophobicContact CE1-CB 4.1Å; F896-P1147 HydrophobicContact CE1-CG 3.9Å; F896-P1147 HydrophobicContact CE2-CB 4.13Å; F896-P1147 HydrophobicContact CE2-CG 4.32Å; F896-P1147 HydrophobicContact CG-CB 4.48Å; F896-P1147 HydrophobicContact CG-CG 3.79Å; F896-P1147 HydrophobicContact CZ-CB 3.98Å; F896-P1147 HydrophobicContact CZ-CG 4.22Å; I900-P1147 HydrophobicContact CG2-CG 4.29Å; T901-P1147 HydrophobicContact CG2-CG 4.08Å | ||
| 1148 | C | 94.2 | Very high | 92.1 | Very high | 8 Ų | 8 | 28.4 Ų | 28.4 | 5% | 0.054 | 15% | 0.154 | C | C | . | . | trans | -149.7 | 145 | 171.4 | -81.5 | 0 | 0 | 0 | 0 | 109.6 | Y1146 I1175 | Y1146-C1148 WeakPolarHBondContact CE1-SG 3.33Å; C1148-I1175 HydrophobicContact CB-CG1 4.31Å | ||
| 1149 | D | 95.8 | Very high | 92.5 | Very high | 7 Ų | 7 | 29 Ų | 29 | 4% | 0.037 | 16% | 0.159 | C | C | . | . | trans | -154.5 | 167.1 | 178.9 | 63.8 | 91.2 | 0 | 0 | 0 | 108.3 | A1130 P1131 N1151 T1152 I1153 | A1130-D1149 WeakPolarHBondContact O-CB 3.21Å; P1131-D1149 WeakPolarHBondContact CD-OD1 3.03Å; P1131-D1149 WeakPolarHBondContact CG-OD2 3.48Å; D1149-N1151 PolarHBondContact O-N 3.46Å; D1149-N1151 PolarHBondContact OD1-N 3.44Å; D1149-T1152 PolarHBondContact O-N 2.86Å; D1149-T1152 PolarHBondContact OD1-N 2.87Å; D1149-T1152 PolarHBondContact OD1-OG1 3.31Å; D1149-T1152 WeakPolarHBondContact OD2-CB 3.41Å; D1149-T1152 PolarHBondContact OD2-OG1 2.63Å; D1149-I1153 WeakPolarHBondContact O-CG1 3.35Å; D1149-I1153 PolarHBondContact O-N 2.96Å | ||
| 1150 | L | 97.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66 | -36.6 | -173.5 | -66.3 | 172.7 | 0 | 0 | 0 | 112.7 | I1116 M1120 A1125 F1128 I1153 K1154 I1175 V1196 L1200 | I1116-L1150 HydrophobicContact CG2-CB 4.15Å; I1116-L1150 HydrophobicContact CG2-CD2 4.49Å; M1120-L1150 HydrophobicContact CG-CB 3.81Å; M1120-L1150 HydrophobicContact CG-CD1 3.8Å; M1120-L1150 HydrophobicContact CG-CG 4.44Å; M1120-L1150 HydrophobicContact SD-CB 4.08Å; A1125-L1150 HydrophobicContact CB-CD1 3.84Å; F1128-L1150 HydrophobicContact CB-CD1 4.35Å; F1128-L1150 HydrophobicContact CB-CG 4.33Å; F1128-L1150 WeakPolarHBondContact O-CB 3.2Å; F1128-L1150 WeakPolarHBondContact O-CG 3.48Å; F1128-L1150 PolarHBondContact O-N 3.13Å; L1150-I1153 PolarHBondContact O-N 3.5Å; L1150-K1154 WeakPolarHBondContact O-CB 3.46Å; L1150-K1154 PolarHBondContact O-N 3Å; L1150-I1175 HydrophobicContact CD2-CD1 3.75Å; L1150-I1175 HydrophobicContact CG-CD1 4.14Å; L1150-V1196 HydrophobicContact CD1-CG1 4.35Å; L1150-V1196 HydrophobicContact CD2-CG1 4.23Å; L1150-L1200 HydrophobicContact CD2-CD2 3.94Å |
| 1151 | N | 96.4 | Very high | 92.7 | Very high | 48 Ų | 48 | 25.8 Ų | 25.8 | 26% | 0.257 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -74.7 | -38 | 179.7 | -173.4 | 56.4 | 0 | 0 | 0 | 112.4 | M1120 V1129 D1149 I1153 K1154 L1155 | M1120-N1151 HydrophobicContact CE-CB 4.09Å; V1129-N1151 WeakPolarHBondContact O-CB 3.34Å; V1129-N1151 PolarHBondContact O-N 3.45Å; D1149-N1151 PolarHBondContact O-N 3.46Å; D1149-N1151 PolarHBondContact OD1-N 3.44Å; N1151-I1153 VanDerWaalsContact C-N 3.3Å; N1151-I1153 PolarHBondContact O-N 3Å; N1151-K1154 PolarHBondContact O-N 3.5Å; N1151-L1155 WeakPolarHBondContact O-CB 3.35Å; N1151-L1155 VanDerWaalsContact O-CG 3.29Å; N1151-L1155 WeakPolarHBondContact O-CG 3.27Å; N1151-L1155 PolarHBondContact O-N 2.88Å |
| 1152 | T | 95.7 | Very high | 93 | Very high | 16 Ų | 16 | 25.9 Ų | 25.9 | 10% | 0.098 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58 | -43.5 | 171.2 | -67.6 | 0 | 0 | 0 | 0 | 111.2 | T903 D1149 L1155 R1156 | T903-T1152 HydrophobicContact CG2-CG2 4.26Å; D1149-T1152 PolarHBondContact O-N 2.86Å; D1149-T1152 PolarHBondContact OD1-N 2.87Å; D1149-T1152 PolarHBondContact OD1-OG1 3.31Å; D1149-T1152 WeakPolarHBondContact OD2-CB 3.41Å; D1149-T1152 PolarHBondContact OD2-OG1 2.63Å; T1152-L1155 PolarHBondContact O-N 3.21Å; T1152-R1156 WeakPolarHBondContact O-CB 3.27Å; T1152-R1156 WeakPolarHBondContact O-CG 3.34Å; T1152-R1156 PolarHBondContact O-N 3.18Å |
| 1153 | I | 96.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.9 | -42.7 | 175.6 | -63.7 | 167.9 | 0 | 0 | 0 | 110.7 | I1116 D1149 L1150 N1151 L1155 R1156 L1157 Y1162 V1168 D1171 V1172 I1175 | I1116-I1153 HydrophobicContact CD1-CG2 3.78Å; D1149-I1153 WeakPolarHBondContact O-CG1 3.35Å; D1149-I1153 PolarHBondContact O-N 2.96Å; L1150-I1153 PolarHBondContact O-N 3.5Å; N1151-I1153 VanDerWaalsContact C-N 3.3Å; N1151-I1153 PolarHBondContact O-N 3Å; I1153-L1155 PolarHBondContact O-N 2.98Å; I1153-R1156 PolarHBondContact O-N 3.26Å; I1153-L1157 HydrophobicContact CG2-CD1 4.07Å; I1153-L1157 WeakPolarHBondContact O-CG 3.47Å; I1153-L1157 PolarHBondContact O-N 3.41Å; I1153-Y1162 HydrophobicContact CG2-CE2 4.3Å; I1153-V1168 HydrophobicContact CG2-CG1 4.28Å; I1153-D1171 HydrophobicContact CD1-CB 4.04Å; I1153-D1171 HydrophobicContact CG1-CB 3.95Å; I1153-V1172 HydrophobicContact CD1-CG2 3.92Å; I1153-I1175 HydrophobicContact CD1-CD1 3.94Å; I1153-I1175 HydrophobicContact CD1-CG1 4.43Å |
| 1154 | K | 96.3 | Very high | 93.5 | Very high | 36 Ų | 36 | 22.5 Ų | 22.5 | 16% | 0.157 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.9 | -42.6 | 176.7 | -167.4 | 179.5 | 75.8 | 165.1 | 0 | 112.7 | I1113 I1116 E1117 M1120 L1150 N1151 L1157 H1158 | I1113-K1154 HydrophobicContact CG1-CG 4.31Å; I1113-K1154 HydrophobicContact CG2-CD 4.38Å; I1113-K1154 HydrophobicContact CG2-CG 4.2Å; I1116-K1154 HydrophobicContact CG2-CB 4.19Å; E1117-K1154 HydrophobicContact CG-CD 3.42Å; E1117-K1154 VanDerWaalsContact CG-CD 3.42Å; E1117-K1154 WeakPolarHBondContact OE1-CD 2.95Å; E1117-K1154 WeakPolarHBondContact OE1-CE 3.48Å; E1117-K1154 IonicContact OE1-NZ 3.59Å; E1117-K1154 PolarHBondContact OE1-NZ 2.81Å; M1120-K1154 HydrophobicContact SD-CD 4.43Å; L1150-K1154 WeakPolarHBondContact O-CB 3.46Å; L1150-K1154 PolarHBondContact O-N 3Å; N1151-K1154 PolarHBondContact O-N 3.5Å; K1154-L1157 PolarHBondContact O-N 3.09Å; K1154-H1158 PolarHBondContact O-N 2.68Å; K1154-H1158 PolarHBondContact O-ND1 3.25Å |
| 1155 | L | 95.1 | Very high | 93.4 | Very high | 72 Ų | 72 | 23.3 Ų | 23.3 | 38% | 0.377 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -67.4 | -39.4 | 177.4 | -70.9 | 171.5 | 0 | 0 | 0 | 111.5 | T903 N1151 T1152 I1153 L1157 H1158 S1159 | T903-L1155 HydrophobicContact CG2-CB 3.88Å; T903-L1155 HydrophobicContact CG2-CD1 4.24Å; N1151-L1155 WeakPolarHBondContact O-CB 3.35Å; N1151-L1155 VanDerWaalsContact O-CG 3.29Å; N1151-L1155 WeakPolarHBondContact O-CG 3.27Å; N1151-L1155 PolarHBondContact O-N 2.88Å; T1152-L1155 PolarHBondContact O-N 3.21Å; I1153-L1155 PolarHBondContact O-N 2.98Å; L1155-L1157 VanDerWaalsContact C-N 3.35Å; L1155-H1158 PolarHBondContact O-N 3.18Å; L1155-S1159 PolarHBondContact O-N 3.06Å; L1155-S1159 PolarHBondContact O-OG 2.84Å |
| 1156 | R | 94.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 0% | 0.004 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.5 | -32.7 | 172.8 | -77.3 | 177.4 | 172.9 | 164.7 | 4.4 | 113.4 | I900 C902 T903 Y1146 T1152 I1153 S1159 R1160 F1161 Y1162 D1171 | I900-R1156 PolarHBondContact O-NH2 2.91Å; C902-R1156 PolarHBondContact O-NE 2.86Å; C902-R1156 PolarHBondContact O-NH2 3.04Å; T903-R1156 HydrophobicContact CG2-CG 4.39Å; Y1146-R1156 PolarHBondContact OH-NH1 2.89Å; T1152-R1156 WeakPolarHBondContact O-CB 3.27Å; T1152-R1156 WeakPolarHBondContact O-CG 3.34Å; T1152-R1156 PolarHBondContact O-N 3.18Å; I1153-R1156 PolarHBondContact O-N 3.26Å; R1156-S1159 PolarHBondContact O-OG 2.82Å; R1156-R1160 PolarHBondContact O-N 2.58Å; R1156-F1161 HydrophobicContact CB-CB 3.84Å; R1156-F1161 HydrophobicContact CB-CD1 4.08Å; R1156-F1161 HydrophobicContact CB-CG 4.15Å; R1156-F1161 HydrophobicContact CG-CB 3.99Å; R1156-F1161 HydrophobicContact CG-CD1 3.8Å; R1156-F1161 HydrophobicContact CG-CD2 4.4Å; R1156-F1161 HydrophobicContact CG-CE1 4.31Å; R1156-F1161 HydrophobicContact CG-CG 3.85Å; R1156-F1161 VanDerWaalsContact O-CB 3.3Å; R1156-F1161 WeakPolarHBondContact O-CB 3.47Å; R1156-F1161 PolarHBondContact O-N 2.99Å; R1156-Y1162 HydrophobicContact CB-CD2 4Å; R1156-Y1162 HydrophobicContact CB-CE2 3.32Å; R1156-Y1162 WeakPolarHBondContact CD-OH 3.37Å; R1156-Y1162 HydrophobicContact CG-CE2 4.45Å; R1156-D1171 IonicContact CZ-OD2 3.67Å; R1156-D1171 IonicContact NH1-OD2 2.65Å; R1156-D1171 PolarHBondContact NH1-OD2 3.44Å |
| 1157 | L | 94.5 | Very high | 93.3 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -72 | -37.2 | 171.7 | -73.5 | 163.5 | 0 | 0 | 0 | 112.1 | W1100 I1112 I1113 I1116 I1153 K1154 L1155 R1160 Y1162 V1168 | W1100-L1157 HydrophobicContact CH2-CD2 4.39Å; I1112-L1157 HydrophobicContact CB-CD1 4.18Å; I1112-L1157 HydrophobicContact CG2-CD1 3.59Å; I1113-L1157 HydrophobicContact CD1-CB 3.8Å; I1113-L1157 HydrophobicContact CG1-CB 3.62Å; I1113-L1157 HydrophobicContact CG1-CD1 4.24Å; I1116-L1157 HydrophobicContact CD1-CD1 3.7Å; I1153-L1157 HydrophobicContact CG2-CD1 4.07Å; I1153-L1157 WeakPolarHBondContact O-CG 3.47Å; I1153-L1157 PolarHBondContact O-N 3.41Å; K1154-L1157 PolarHBondContact O-N 3.09Å; L1155-L1157 VanDerWaalsContact C-N 3.35Å; L1157-R1160 WeakPolarHBondContact O-CD 3.17Å; L1157-R1160 PolarHBondContact O-N 3.37Å; L1157-R1160 PolarHBondContact O-NH1 2.84Å; L1157-Y1162 HydrophobicContact CD2-CD2 3.81Å; L1157-Y1162 HydrophobicContact CD2-CE2 4.29Å; L1157-Y1162 HydrophobicContact CG-CD2 3.96Å; L1157-Y1162 HydrophobicContact CG-CE2 3.98Å; L1157-V1168 HydrophobicContact CD1-CG1 4.39Å; L1157-V1168 HydrophobicContact CD2-CG1 4.29Å; L1157-V1168 HydrophobicContact CD2-CG2 4.03Å |
| 1158 | H | 92.1 | Very high | 93.4 | Very high | 101 Ų | 101 | 25 Ų | 25 | 47% | 0.468 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -64.7 | -48.9 | 174.5 | -85 | 83.1 | 0 | 0 | 0 | 112 | I1113 K1154 L1155 R1160 | I1113-H1158 VanDerWaalsContact CG2-CE1 3.47Å; I1113-H1158 WeakPolarHBondContact CG2-CE1 3.48Å; K1154-H1158 PolarHBondContact O-N 2.68Å; K1154-H1158 PolarHBondContact O-ND1 3.25Å; L1155-H1158 PolarHBondContact O-N 3.18Å; H1158-R1160 PolarHBondContact O-N 3.23Å; H1158-R1160 VanDerWaalsContact O-N 3.13Å |
| 1159 | S | 88.1 | Confident | 93.4 | Very high | 41 Ų | 41 | 25.9 Ų | 25.9 | 29% | 0.287 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -2.9 | 179.5 | 70.5 | 0 | 0 | 0 | 0 | 114.2 | T903 N905 L1155 R1156 F1161 | T903-S1159 VanDerWaalsContact O-CB 3.3Å; T903-S1159 WeakPolarHBondContact O-CB 3.37Å; T903-S1159 PolarHBondContact O-OG 3.04Å; N905-S1159 WeakPolarHBondContact CB-O 3.19Å; L1155-S1159 PolarHBondContact O-N 3.06Å; L1155-S1159 PolarHBondContact O-OG 2.84Å; R1156-S1159 PolarHBondContact O-OG 2.82Å; S1159-F1161 VanDerWaalsContact C-N 3.26Å; S1159-F1161 PolarHBondContact O-N 3.04Å; S1159-F1161 PolarHBondContact OG-N 2.81Å |
| 1160 | R | 89.4 | Confident | 93.3 | Very high | 55 Ų | 55 | 26.6 Ų | 26.6 | 21% | 0.208 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 40.2 | -172.4 | -47.8 | -59.1 | -172.2 | -141.9 | 9.8 | 112.1 | N905 S1109 D1110 R1156 L1157 H1158 | N905-R1160 PolarHBondContact ND2-O 3.46Å; S1109-R1160 VanDerWaalsContact CB-NH1 3.33Å; D1110-R1160 IonicContact OD1-CZ 3.68Å; D1110-R1160 VanDerWaalsContact OD1-CZ 3.22Å; D1110-R1160 IonicContact OD1-NH1 3.03Å; D1110-R1160 PolarHBondContact OD1-NH1 3.5Å; D1110-R1160 IonicContact OD1-NH2 2.65Å; D1110-R1160 PolarHBondContact OD1-NH2 3.1Å; D1110-R1160 IonicContact OD2-NH2 3.12Å; D1110-R1160 PolarHBondContact OD2-NH2 2.94Å; R1156-R1160 PolarHBondContact O-N 2.58Å; L1157-R1160 WeakPolarHBondContact O-CD 3.17Å; L1157-R1160 PolarHBondContact O-N 3.37Å; L1157-R1160 PolarHBondContact O-NH1 2.84Å; H1158-R1160 PolarHBondContact O-N 3.23Å; H1158-R1160 VanDerWaalsContact O-N 3.13Å |
| 1161 | F | 91.1 | Very high | 93.2 | Very high | 10 Ų | 10 | 26.7 Ų | 26.7 | 4% | 0.044 | 13% | 0.13 | C | C | . | . | trans | -64 | -41.4 | 177.5 | 176.8 | -91.9 | 0 | 0 | 0 | 112.6 | S904 F911 Q913 R1156 S1159 R1163 | S904-F1161 WeakPolarHBondContact O-CD2 3.2Å; F911-F1161 HydrophobicContact CB-CZ 4.32Å; F911-F1161 HydrophobicContact CD1-CE1 4Å; F911-F1161 HydrophobicContact CD1-CE2 4.43Å; F911-F1161 AromaticContact CD1-CZ 3.46Å; F911-F1161 HydrophobicContact CD1-CZ 3.46Å; F911-F1161 VanDerWaalsContact CD1-CZ 3.46Å; F911-F1161 HydrophobicContact CD2-CZ 4.3Å; F911-F1161 HydrophobicContact CE1-CE1 4.18Å; F911-F1161 AromaticContact CE1-CZ 3.88Å; F911-F1161 HydrophobicContact CE1-CZ 3.88Å; F911-F1161 HydrophobicContact CG-CE2 4.34Å; F911-F1161 AromaticContact CG-CZ 3.73Å; F911-F1161 HydrophobicContact CG-CZ 3.73Å; F911-F1161 HydrophobicContact CZ-CZ 4.47Å; Q913-F1161 PolarHBondContact NE2-O 3.13Å; R1156-F1161 HydrophobicContact CB-CB 3.84Å; R1156-F1161 HydrophobicContact CB-CD1 4.08Å; R1156-F1161 HydrophobicContact CB-CG 4.15Å; R1156-F1161 HydrophobicContact CG-CB 3.99Å; R1156-F1161 HydrophobicContact CG-CD1 3.8Å; R1156-F1161 HydrophobicContact CG-CD2 4.4Å; R1156-F1161 HydrophobicContact CG-CE1 4.31Å; R1156-F1161 HydrophobicContact CG-CG 3.85Å; R1156-F1161 VanDerWaalsContact O-CB 3.3Å; R1156-F1161 WeakPolarHBondContact O-CB 3.47Å; R1156-F1161 PolarHBondContact O-N 2.99Å; S1159-F1161 VanDerWaalsContact C-N 3.26Å; S1159-F1161 PolarHBondContact O-N 3.04Å; S1159-F1161 PolarHBondContact OG-N 2.81Å; F1161-R1163 PolarHBondContact O-N 3.33Å | ||
| 1162 | Y | 92.3 | Very high | 93.2 | Very high | 3 Ų | 3 | 24.4 Ų | 24.4 | 1% | 0.012 | 12% | 0.117 | C | C | . | . | trans | -72.9 | 126.4 | -179.1 | -60.6 | -68 | 0 | 0 | 0 | 111.3 | W1100 I1153 R1156 L1157 A1167 V1168 D1171 | W1100-Y1162 WeakPolarHBondContact CZ2-O 3.2Å; I1153-Y1162 HydrophobicContact CG2-CE2 4.3Å; R1156-Y1162 HydrophobicContact CB-CD2 4Å; R1156-Y1162 HydrophobicContact CB-CE2 3.32Å; R1156-Y1162 WeakPolarHBondContact CD-OH 3.37Å; R1156-Y1162 HydrophobicContact CG-CE2 4.45Å; L1157-Y1162 HydrophobicContact CD2-CD2 3.81Å; L1157-Y1162 HydrophobicContact CD2-CE2 4.29Å; L1157-Y1162 HydrophobicContact CG-CD2 3.96Å; L1157-Y1162 HydrophobicContact CG-CE2 3.98Å; Y1162-A1167 HydrophobicContact CD1-CB 3.79Å; Y1162-V1168 HydrophobicContact CD1-CG2 4.25Å; Y1162-V1168 HydrophobicContact CD2-CG2 3.78Å; Y1162-V1168 HydrophobicContact CE2-CG2 4.35Å; Y1162-V1168 HydrophobicContact CG-CG2 3.71Å; Y1162-D1171 HydrophobicContact CE1-CB 4.43Å; Y1162-D1171 VanDerWaalsContact CE1-OD2 3.3Å; Y1162-D1171 WeakPolarHBondContact CE1-OD2 3.3Å; Y1162-D1171 PolarHBondContact OH-OD2 3.36Å | ||
| 1163 | R | 91.2 | Very high | 93.3 | Very high | 13 Ų | 13 | 27.5 Ų | 27.5 | 5% | 0.049 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -83.7 | -24 | 178 | -71.4 | -179.6 | -76.9 | -86 | 7.8 | 113.3 | F911 D916 Y1093 W1100 F1161 | F911-R1163 PolarHBondContact O-NH2 2.69Å; D916-R1163 IonicContact OD1-NE 3.3Å; D916-R1163 PolarHBondContact OD1-NE 3.35Å; D916-R1163 IonicContact OD2-CZ 2.82Å; D916-R1163 VanDerWaalsContact OD2-CZ 3.29Å; D916-R1163 IonicContact OD2-NE 2.78Å; D916-R1163 PolarHBondContact OD2-NE 3.41Å; D916-R1163 IonicContact OD2-NH2 3.06Å; D916-R1163 PolarHBondContact OD2-NH2 2.96Å; Y1093-R1163 HydrophobicContact CD1-CB 3.76Å; Y1093-R1163 HydrophobicContact CD1-CG 3.58Å; Y1093-R1163 HydrophobicContact CD2-CG 4.36Å; Y1093-R1163 HydrophobicContact CE1-CB 3.78Å; Y1093-R1163 HydrophobicContact CE1-CG 4.03Å; Y1093-R1163 HydrophobicContact CG-CB 4.43Å; Y1093-R1163 HydrophobicContact CG-CG 3.77Å; W1100-R1163 VanDerWaalsContact NE1-C 3.34Å; W1100-R1163 PolarHBondContact NE1-O 3.13Å; F1161-R1163 PolarHBondContact O-N 3.33Å |
| 1164 | R | 91.3 | Very high | 93.2 | Very high | 21 Ų | 21 | 28.2 Ų | 28.2 | 8% | 0.079 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -153.4 | 142.9 | -166.7 | 54.9 | -169.9 | 66.5 | -94.5 | -10.6 | 110.5 | K914 G915 D916 Y1093 E1099 E1166 A1167 | K914-R1164 WeakPolarHBondContact O-CD 3.46Å; G915-R1164 VanDerWaalsContact O-CZ 3.23Å; G915-R1164 PolarHBondContact O-NH1 3.19Å; D916-R1164 IonicContact OD1-CZ 2.73Å; D916-R1164 IonicContact OD1-NE 2.67Å; D916-R1164 PolarHBondContact OD1-NE 3.37Å; D916-R1164 IonicContact OD1-NH2 2.68Å; D916-R1164 PolarHBondContact OD1-NH2 3.37Å; Y1093-R1164 PolarHBondContact OH-NH2 2.77Å; E1099-R1164 HydrophobicContact CB-CB 4.16Å; E1099-R1164 VanDerWaalsContact CD-NH1 3.32Å; E1099-R1164 IonicContact OE1-CZ 3.14Å; E1099-R1164 IonicContact OE1-NH1 3.27Å; E1099-R1164 PolarHBondContact OE1-NH1 3.27Å; E1099-R1164 IonicContact OE1-NH2 2.77Å; E1099-R1164 PolarHBondContact OE1-NH2 2.99Å; E1099-R1164 IonicContact OE2-NH2 3.9Å; R1164-E1166 VanDerWaalsContact C-N 3.26Å; R1164-E1166 PolarHBondContact O-N 2.58Å; R1164-A1167 HydrophobicContact CG-CB 4.04Å; R1164-A1167 VanDerWaalsContact O-CB 3.3Å; R1164-A1167 WeakPolarHBondContact O-CB 3.29Å; R1164-A1167 PolarHBondContact O-N 2.93Å |
| 1165 | L | 91.1 | Very high | 93.2 | Very high | 18 Ų | 18 | 26.7 Ų | 26.7 | 9% | 0.094 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.7 | -33.7 | -172.9 | -167.2 | 68.3 | 0 | 0 | 0 | 113.8 | E1099 W1100 P1101 I1112 A1167 V1168 K1169 I1204 | E1099-L1165 PolarHBondContact O-N 3.09Å; W1100-L1165 HydrophobicContact CE3-CD1 3.98Å; W1100-L1165 HydrophobicContact CH2-CD1 4.4Å; W1100-L1165 HydrophobicContact CZ3-CD1 3.71Å; P1101-L1165 HydrophobicContact CG-CD2 4.27Å; I1112-L1165 HydrophobicContact CD1-CD1 3.62Å; L1165-A1167 PolarHBondContact O-N 2.84Å; L1165-V1168 HydrophobicContact CD1-CG2 4.45Å; L1165-V1168 WeakPolarHBondContact O-CB 3.49Å; L1165-V1168 PolarHBondContact O-N 3.16Å; L1165-V1168 VanDerWaalsContact O-N 3.08Å; L1165-K1169 PolarHBondContact O-N 2.86Å; L1165-I1204 HydrophobicContact CD1-CG2 3.91Å; L1165-I1204 HydrophobicContact CD2-CG2 3.86Å; L1165-I1204 HydrophobicContact CG-CG2 3.85Å |
| 1166 | E | 90.9 | Very high | 93.2 | Very high | 74 Ų | 74 | 23.6 Ų | 23.6 | 35% | 0.346 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -62.6 | -22 | 176.3 | -75.6 | -67.8 | 121.4 | 0 | 0 | 113.9 | K914 R1164 K1169 M1170 | K914-E1166 IonicContact NZ-OE2 2.65Å; K914-E1166 PolarHBondContact NZ-OE2 2.95Å; R1164-E1166 VanDerWaalsContact C-N 3.26Å; R1164-E1166 PolarHBondContact O-N 2.58Å; E1166-K1169 WeakPolarHBondContact OE1-CD 3.46Å; E1166-K1169 WeakPolarHBondContact OE1-CE 3.36Å; E1166-K1169 IonicContact OE1-NZ 2.87Å; E1166-K1169 PolarHBondContact OE1-NZ 2.94Å; E1166-M1170 PolarHBondContact O-N 2.89Å; E1166-M1170 VanDerWaalsContact O-N 3.13Å |
| 1167 | A | 92.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -73.9 | -37.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q913 Y1162 R1164 L1165 M1170 D1171 | Q913-A1167 HydrophobicContact CB-CB 3.86Å; Q913-A1167 HydrophobicContact CG-CB 4.17Å; Y1162-A1167 HydrophobicContact CD1-CB 3.79Å; R1164-A1167 HydrophobicContact CG-CB 4.04Å; R1164-A1167 VanDerWaalsContact O-CB 3.3Å; R1164-A1167 WeakPolarHBondContact O-CB 3.29Å; R1164-A1167 PolarHBondContact O-N 2.93Å; L1165-A1167 PolarHBondContact O-N 2.84Å; A1167-M1170 WeakPolarHBondContact O-CB 3.36Å; A1167-M1170 PolarHBondContact O-N 3.24Å; A1167-D1171 PolarHBondContact O-N 3.22Å |
| 1168 | V | 94.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.6 | -48.3 | 173.7 | -168 | 0 | 0 | 0 | 0 | 109.6 | W1100 I1153 L1157 Y1162 L1165 M1170 D1171 V1172 I1204 | W1100-V1168 HydrophobicContact CH2-CG2 3.93Å; I1153-V1168 HydrophobicContact CG2-CG1 4.28Å; L1157-V1168 HydrophobicContact CD1-CG1 4.39Å; L1157-V1168 HydrophobicContact CD2-CG1 4.29Å; L1157-V1168 HydrophobicContact CD2-CG2 4.03Å; Y1162-V1168 HydrophobicContact CD1-CG2 4.25Å; Y1162-V1168 HydrophobicContact CD2-CG2 3.78Å; Y1162-V1168 HydrophobicContact CE2-CG2 4.35Å; Y1162-V1168 HydrophobicContact CG-CG2 3.71Å; L1165-V1168 HydrophobicContact CD1-CG2 4.45Å; L1165-V1168 WeakPolarHBondContact O-CB 3.49Å; L1165-V1168 PolarHBondContact O-N 3.16Å; L1165-V1168 VanDerWaalsContact O-N 3.08Å; V1168-M1170 PolarHBondContact O-N 2.87Å; V1168-D1171 PolarHBondContact O-N 2.82Å; V1168-V1172 WeakPolarHBondContact O-CG2 3.45Å; V1168-V1172 PolarHBondContact O-N 2.87Å; V1168-I1204 HydrophobicContact CG1-CD1 4.12Å |
| 1169 | K | 94.9 | Very high | 93.4 | Very high | 26 Ų | 26 | 22.4 Ų | 22.4 | 11% | 0.113 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.2 | -33 | 176.5 | -64.6 | -175 | -170.9 | 171.9 | 0 | 112.9 | L1165 E1166 N1173 I1204 D1205 | L1165-K1169 PolarHBondContact O-N 2.86Å; E1166-K1169 WeakPolarHBondContact OE1-CD 3.46Å; E1166-K1169 WeakPolarHBondContact OE1-CE 3.36Å; E1166-K1169 IonicContact OE1-NZ 2.87Å; E1166-K1169 PolarHBondContact OE1-NZ 2.94Å; K1169-N1173 WeakPolarHBondContact O-CB 3.18Å; K1169-N1173 PolarHBondContact O-N 2.87Å; K1169-N1173 PolarHBondContact O-ND2 2.87Å; K1169-I1204 HydrophobicContact CD-CG2 4.43Å; K1169-I1204 HydrophobicContact CG-CG2 3.96Å; K1169-D1205 WeakPolarHBondContact CE-OD1 3.45Å; K1169-D1205 IonicContact NZ-OD1 3.97Å; K1169-D1205 PolarHBondContact NZ-OD1 3.27Å; K1169-D1205 IonicContact NZ-OD2 2.61Å; K1169-D1205 PolarHBondContact NZ-OD2 3.31Å |
| 1170 | M | 93.8 | Very high | 93.7 | Very high | 23 Ų | 23 | 26.5 Ų | 26.5 | 11% | 0.113 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.8 | -51.3 | 177.7 | -172 | -177.7 | 75.3 | 0 | 0 | 111 | K914 V963 E1166 A1167 V1168 V1172 N1173 Y1174 | K914-M1170 HydrophobicContact CB-SD 3.76Å; V963-M1170 HydrophobicContact CB-CE 4.17Å; V963-M1170 HydrophobicContact CB-SD 3.86Å; V963-M1170 HydrophobicContact CG1-CE 4.42Å; V963-M1170 HydrophobicContact CG2-SD 4.25Å; E1166-M1170 PolarHBondContact O-N 2.89Å; E1166-M1170 VanDerWaalsContact O-N 3.13Å; A1167-M1170 WeakPolarHBondContact O-CB 3.36Å; A1167-M1170 PolarHBondContact O-N 3.24Å; V1168-M1170 PolarHBondContact O-N 2.87Å; M1170-V1172 VanDerWaalsContact C-N 3.34Å; M1170-V1172 PolarHBondContact O-N 3.41Å; M1170-N1173 PolarHBondContact O-N 2.97Å; M1170-Y1174 HydrophobicContact CG-CD2 4.43Å; M1170-Y1174 HydrophobicContact CG-CE2 4.48Å; M1170-Y1174 WeakPolarHBondContact O-CD2 3.36Å; M1170-Y1174 PolarHBondContact O-N 2.91Å; M1170-Y1174 VanDerWaalsContact O-N 3.11Å |
| 1171 | D | 95.2 | Very high | 93.9 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.011 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.6 | -38.3 | 177.9 | -72.8 | 18.2 | 0 | 0 | 0 | 111.6 | I1153 R1156 Y1162 A1167 V1168 N1173 Y1174 | I1153-D1171 HydrophobicContact CD1-CB 4.04Å; I1153-D1171 HydrophobicContact CG1-CB 3.95Å; R1156-D1171 IonicContact CZ-OD2 3.67Å; R1156-D1171 IonicContact NH1-OD2 2.65Å; R1156-D1171 PolarHBondContact NH1-OD2 3.44Å; Y1162-D1171 HydrophobicContact CE1-CB 4.43Å; Y1162-D1171 VanDerWaalsContact CE1-OD2 3.3Å; Y1162-D1171 WeakPolarHBondContact CE1-OD2 3.3Å; Y1162-D1171 PolarHBondContact OH-OD2 3.36Å; A1167-D1171 PolarHBondContact O-N 3.22Å; V1168-D1171 PolarHBondContact O-N 2.82Å; D1171-N1173 PolarHBondContact O-N 3.25Å; D1171-Y1174 VanDerWaalsContact O-CB 3.29Å; D1171-Y1174 WeakPolarHBondContact O-CB 3.35Å; D1171-Y1174 PolarHBondContact O-N 2.88Å |
| 1172 | V | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.9 | -44.3 | 173.5 | 172.6 | 0 | 0 | 0 | 0 | 111.7 | I1153 V1168 M1170 Y1174 I1175 T1197 L1200 I1201 I1204 | I1153-V1172 HydrophobicContact CD1-CG2 3.92Å; V1168-V1172 WeakPolarHBondContact O-CG2 3.45Å; V1168-V1172 PolarHBondContact O-N 2.87Å; M1170-V1172 VanDerWaalsContact C-N 3.34Å; M1170-V1172 PolarHBondContact O-N 3.41Å; V1172-Y1174 PolarHBondContact O-N 2.9Å; V1172-I1175 WeakPolarHBondContact O-CB 3.47Å; V1172-I1175 PolarHBondContact O-N 3.06Å; V1172-T1197 HydrophobicContact CG1-CG2 4.26Å; V1172-L1200 HydrophobicContact CB-CD2 4.46Å; V1172-L1200 HydrophobicContact CG1-CB 4.1Å; V1172-L1200 HydrophobicContact CG1-CD2 3.95Å; V1172-L1200 HydrophobicContact CG1-CG 4.11Å; V1172-L1200 HydrophobicContact CG2-CD2 3.6Å; V1172-L1200 HydrophobicContact CG2-CG 4.09Å; V1172-I1201 HydrophobicContact CG1-CD1 4.4Å; V1172-I1201 HydrophobicContact CG1-CG1 3.91Å; V1172-I1204 HydrophobicContact CG2-CD1 4.33Å |
| 1173 | N | 96 | Very high | 94 | Very high | 81 Ų | 81 | 31.4 Ų | 31.4 | 43% | 0.433 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -62.7 | -27.3 | 174.2 | -85.4 | -81.7 | 0 | 0 | 0 | 112.8 | K1169 M1170 D1171 I1175 K1177 I1201 | K1169-N1173 WeakPolarHBondContact O-CB 3.18Å; K1169-N1173 PolarHBondContact O-N 2.87Å; K1169-N1173 PolarHBondContact O-ND2 2.87Å; M1170-N1173 PolarHBondContact O-N 2.97Å; D1171-N1173 PolarHBondContact O-N 3.25Å; N1173-I1175 VanDerWaalsContact C-N 3.29Å; N1173-I1175 PolarHBondContact O-N 3.03Å; N1173-K1177 WeakPolarHBondContact O-CB 3.47Å; N1173-K1177 PolarHBondContact O-N 3.34Å; N1173-I1201 VanDerWaalsContact ND2-CD1 3.28Å; N1173-I1201 WeakPolarHBondContact ND2-CD1 3.46Å |
| 1174 | Y | 95.9 | Very high | 93.8 | Very high | 15 Ų | 15 | 36.9 Ų | 36.9 | 6% | 0.059 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.9 | -26.9 | 177.5 | -102.3 | -86.5 | 0 | 0 | 0 | 112.8 | D1145 Y1146 M1170 D1171 V1172 K1177 N1178 | D1145-Y1174 PolarHBondContact OD2-OH 3.2Å; Y1146-Y1174 AromaticContact CD1-CD1 3.83Å; Y1146-Y1174 HydrophobicContact CD1-CD1 3.83Å; Y1146-Y1174 HydrophobicContact CD1-CD2 4.07Å; Y1146-Y1174 AromaticContact CD1-CE1 3.92Å; Y1146-Y1174 HydrophobicContact CD1-CE1 3.92Å; Y1146-Y1174 HydrophobicContact CD1-CE2 4.18Å; Y1146-Y1174 AromaticContact CD1-CG 3.89Å; Y1146-Y1174 HydrophobicContact CD1-CG 3.89Å; Y1146-Y1174 HydrophobicContact CG-CD1 4.42Å; Y1146-Y1174 HydrophobicContact CG-CE1 4.18Å; M1170-Y1174 HydrophobicContact CG-CD2 4.43Å; M1170-Y1174 HydrophobicContact CG-CE2 4.48Å; M1170-Y1174 WeakPolarHBondContact O-CD2 3.36Å; M1170-Y1174 PolarHBondContact O-N 2.91Å; M1170-Y1174 VanDerWaalsContact O-N 3.11Å; D1171-Y1174 VanDerWaalsContact O-CB 3.29Å; D1171-Y1174 WeakPolarHBondContact O-CB 3.35Å; D1171-Y1174 PolarHBondContact O-N 2.88Å; V1172-Y1174 PolarHBondContact O-N 2.9Å; Y1174-K1177 HydrophobicContact CD1-CD 3.72Å; Y1174-K1177 HydrophobicContact CE1-CD 3.59Å; Y1174-K1177 HydrophobicContact CG-CD 4.31Å; Y1174-K1177 VanDerWaalsContact CZ-NZ 3.27Å; Y1174-K1177 PolarHBondContact O-N 3.07Å; Y1174-K1177 PolarHBondContact OH-NZ 2.65Å; Y1174-K1177 VanDerWaalsContact OH-NZ 3.08Å; Y1174-N1178 WeakPolarHBondContact O-CB 3.38Å; Y1174-N1178 PolarHBondContact O-N 2.9Å; Y1174-N1178 PolarHBondContact O-ND2 3.19Å; Y1174-N1178 PolarHBondContact O-OD1 2.92Å |
| 1175 | I | 96.5 | Very high | 93.4 | Very high | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.6 | -56.6 | 174.1 | -59.9 | 178.2 | 0 | 0 | 0 | 110.4 | F1128 C1148 L1150 I1153 V1172 N1173 K1177 N1178 A1179 A1193 | F1128-I1175 HydrophobicContact CB-CG2 4.05Å; F1128-I1175 HydrophobicContact CD1-CG2 3.69Å; F1128-I1175 HydrophobicContact CD2-CG2 4.43Å; F1128-I1175 HydrophobicContact CE1-CG2 4.33Å; F1128-I1175 HydrophobicContact CG-CG2 3.76Å; C1148-I1175 HydrophobicContact CB-CG1 4.31Å; L1150-I1175 HydrophobicContact CD2-CD1 3.75Å; L1150-I1175 HydrophobicContact CG-CD1 4.14Å; I1153-I1175 HydrophobicContact CD1-CD1 3.94Å; I1153-I1175 HydrophobicContact CD1-CG1 4.43Å; V1172-I1175 WeakPolarHBondContact O-CB 3.47Å; V1172-I1175 PolarHBondContact O-N 3.06Å; N1173-I1175 VanDerWaalsContact C-N 3.29Å; N1173-I1175 PolarHBondContact O-N 3.03Å; I1175-K1177 PolarHBondContact O-N 2.82Å; I1175-N1178 PolarHBondContact O-N 2.97Å; I1175-A1179 PolarHBondContact O-N 2.96Å; I1175-A1193 HydrophobicContact CG2-CB 4.44Å |
| 1176 | C | 95.1 | Very high | 93.1 | Very high | 6 Ų | 6 | 45.8 Ų | 45.8 | 4% | 0.041 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.6 | -38.1 | 177.5 | -173.9 | 0 | 0 | 0 | 0 | 113 | N1178 A1179 R1180 A1193 D1194 T1197 | C1176-N1178 VanDerWaalsContact C-N 3.31Å; C1176-N1178 PolarHBondContact O-N 2.89Å; C1176-A1179 PolarHBondContact O-N 3.41Å; C1176-R1180 VanDerWaalsContact O-CB 3.3Å; C1176-R1180 WeakPolarHBondContact O-CB 3.42Å; C1176-R1180 WeakPolarHBondContact O-CG 3.08Å; C1176-R1180 PolarHBondContact O-N 3.38Å; C1176-R1180 PolarHBondContact SG-NH1 3.43Å; C1176-A1193 HydrophobicContact CB-CB 4.34Å; C1176-D1194 VanDerWaalsContact SG-CA 3.58Å; C1176-T1197 HydrophobicContact CB-CG2 4.21Å; C1176-T1197 VanDerWaalsContact CB-OG1 3.29Å; C1176-T1197 WeakPolarHBondContact CB-OG1 3.48Å |
| 1177 | K | 94.5 | Very high | 93.1 | Very high | 71 Ų | 71 | 43.2 Ų | 43.2 | 31% | 0.309 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59 | -43.2 | 175.4 | -173 | -155.8 | 173.5 | -158.7 | 0 | 111.4 | D1145 N1173 Y1174 I1175 R1180 T1181 | D1145-K1177 IonicContact OD1-NZ 2.88Å; D1145-K1177 PolarHBondContact OD1-NZ 3.39Å; D1145-K1177 IonicContact OD2-NZ 2.63Å; D1145-K1177 PolarHBondContact OD2-NZ 3.47Å; N1173-K1177 WeakPolarHBondContact O-CB 3.47Å; N1173-K1177 PolarHBondContact O-N 3.34Å; Y1174-K1177 HydrophobicContact CD1-CD 3.72Å; Y1174-K1177 HydrophobicContact CE1-CD 3.59Å; Y1174-K1177 HydrophobicContact CG-CD 4.31Å; Y1174-K1177 VanDerWaalsContact CZ-NZ 3.27Å; Y1174-K1177 PolarHBondContact O-N 3.07Å; Y1174-K1177 PolarHBondContact OH-NZ 2.65Å; Y1174-K1177 VanDerWaalsContact OH-NZ 3.08Å; I1175-K1177 PolarHBondContact O-N 2.82Å; K1177-R1180 PolarHBondContact O-N 2.87Å; K1177-T1181 WeakPolarHBondContact O-CB 3.35Å; K1177-T1181 PolarHBondContact O-N 2.93Å; K1177-T1181 VanDerWaalsContact O-N 3.11Å; K1177-T1181 PolarHBondContact O-OG1 3.09Å |
| 1178 | N | 95.5 | Very high | 93 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.4 | -48.5 | -179.3 | -69.6 | -13.2 | 0 | 0 | 0 | 110.7 | I1144 Y1146 Y1174 I1175 C1176 R1180 T1181 F1182 | I1144-N1178 HydrophobicContact CD1-CB 3.93Å; I1144-N1178 WeakPolarHBondContact CD1-O 3.2Å; I1144-N1178 HydrophobicContact CG1-CB 4.42Å; I1144-N1178 HydrophobicContact CG2-CB 4.36Å; I1144-N1178 WeakPolarHBondContact CG2-OD1 3.48Å; Y1146-N1178 PolarHBondContact O-ND2 2.83Å; Y1146-N1178 PolarHBondContact O-OD1 3.04Å; Y1174-N1178 WeakPolarHBondContact O-CB 3.38Å; Y1174-N1178 PolarHBondContact O-N 2.9Å; Y1174-N1178 PolarHBondContact O-ND2 3.19Å; Y1174-N1178 PolarHBondContact O-OD1 2.92Å; I1175-N1178 PolarHBondContact O-N 2.97Å; C1176-N1178 VanDerWaalsContact C-N 3.31Å; C1176-N1178 PolarHBondContact O-N 2.89Å; N1178-R1180 VanDerWaalsContact C-N 3.28Å; N1178-R1180 PolarHBondContact O-N 3.28Å; N1178-T1181 PolarHBondContact O-N 2.87Å; N1178-F1182 PolarHBondContact O-N 3.49Å |
| 1179 | A | 95.2 | Very high | 92.9 | Very high | 7 Ų | 7 | 49 Ų | 49 | 6% | 0.058 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -52.8 | -46.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F1128 I1175 C1176 T1181 N1183 V1190 A1193 | F1128-A1179 HydrophobicContact CE1-CB 4.47Å; I1175-A1179 PolarHBondContact O-N 2.96Å; C1176-A1179 PolarHBondContact O-N 3.41Å; A1179-T1181 VanDerWaalsContact C-N 3.26Å; A1179-T1181 PolarHBondContact O-N 3.34Å; A1179-N1183 VanDerWaalsContact O-CB 3.32Å; A1179-N1183 WeakPolarHBondContact O-CB 3.33Å; A1179-N1183 PolarHBondContact O-N 3.18Å; A1179-N1183 PolarHBondContact O-ND2 3.26Å; A1179-V1190 HydrophobicContact CB-CG2 4.21Å; A1179-V1190 WeakPolarHBondContact O-CG2 3.2Å; A1179-A1193 HydrophobicContact CB-CB 3.42Å; A1179-A1193 VanDerWaalsContact CB-CB 3.42Å |
| 1180 | R | 94.6 | Very high | 92.8 | Very high | 126 Ų | 126 | 47.9 Ų | 47.9 | 48% | 0.475 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68.9 | -13.2 | 176.5 | -76.5 | 179.3 | 163.8 | 139.1 | 3.1 | 115.5 | C1176 K1177 N1178 V1190 D1194 | C1176-R1180 VanDerWaalsContact O-CB 3.3Å; C1176-R1180 WeakPolarHBondContact O-CB 3.42Å; C1176-R1180 WeakPolarHBondContact O-CG 3.08Å; C1176-R1180 PolarHBondContact O-N 3.38Å; C1176-R1180 PolarHBondContact SG-NH1 3.43Å; K1177-R1180 PolarHBondContact O-N 2.87Å; N1178-R1180 VanDerWaalsContact C-N 3.28Å; N1178-R1180 PolarHBondContact O-N 3.28Å; R1180-V1190 HydrophobicContact CG-CG1 3.47Å; R1180-V1190 VanDerWaalsContact CG-CG1 3.47Å; R1180-V1190 HydrophobicContact CG-CG2 4.36Å; R1180-D1194 IonicContact CZ-OD1 3.84Å; R1180-D1194 IonicContact NH1-OD1 3.54Å; R1180-D1194 PolarHBondContact NH1-OD1 3.28Å; R1180-D1194 VanDerWaalsContact NH2-CG 3.26Å; R1180-D1194 IonicContact NH2-OD1 2.96Å; R1180-D1194 PolarHBondContact NH2-OD1 3.44Å; R1180-D1194 IonicContact NH2-OD2 2.82Å |
| 1181 | T | 92.8 | Very high | 92.8 | Very high | 62 Ų | 62 | 51.3 Ų | 51.3 | 38% | 0.38 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -101.9 | -31.4 | -177.9 | -57.9 | 0 | 0 | 0 | 0 | 111.9 | V1143 I1144 K1177 N1178 A1179 | V1143-T1181 HydrophobicContact CG1-CG2 4.17Å; I1144-T1181 HydrophobicContact CD1-CG2 4.03Å; K1177-T1181 WeakPolarHBondContact O-CB 3.35Å; K1177-T1181 PolarHBondContact O-N 2.93Å; K1177-T1181 VanDerWaalsContact O-N 3.11Å; K1177-T1181 PolarHBondContact O-OG1 3.09Å; N1178-T1181 PolarHBondContact O-N 2.87Å; A1179-T1181 VanDerWaalsContact C-N 3.26Å; A1179-T1181 PolarHBondContact O-N 3.34Å |
| 1182 | F | 93.1 | Very high | 92.7 | Very high | 56 Ų | 56 | 53.9 Ų | 53.9 | 25% | 0.246 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -92.2 | -41.2 | 177.3 | -168.2 | -114 | 0 | 0 | 0 | 113.5 | Y1137 L1139 Y1140 V1143 I1144 N1178 | Y1137-F1182 HydrophobicContact CD1-CE1 4.15Å; L1139-F1182 HydrophobicContact CB-CE2 3.82Å; L1139-F1182 HydrophobicContact CB-CZ 4.22Å; Y1140-F1182 VanDerWaalsContact CA-CE2 3.46Å; Y1140-F1182 HydrophobicContact CD2-CB 4.17Å; Y1140-F1182 AromaticContact CD2-CD1 3.78Å; Y1140-F1182 HydrophobicContact CD2-CD1 3.78Å; Y1140-F1182 AromaticContact CD2-CD2 3.97Å; Y1140-F1182 HydrophobicContact CD2-CD2 3.97Å; Y1140-F1182 HydrophobicContact CD2-CE1 4.09Å; Y1140-F1182 HydrophobicContact CD2-CE2 4.3Å; Y1140-F1182 AromaticContact CD2-CG 3.7Å; Y1140-F1182 HydrophobicContact CD2-CG 3.7Å; Y1140-F1182 HydrophobicContact CD2-CZ 4.34Å; Y1140-F1182 HydrophobicContact CE2-CB 4.29Å; Y1140-F1182 HydrophobicContact CE2-CD1 4.38Å; Y1140-F1182 HydrophobicContact CE2-CG 4.28Å; V1143-F1182 HydrophobicContact CB-CD2 4.15Å; V1143-F1182 HydrophobicContact CG1-CD2 4.21Å; I1144-F1182 HydrophobicContact CD1-CB 4Å; I1144-F1182 HydrophobicContact CG1-CB 4.38Å; N1178-F1182 PolarHBondContact O-N 3.49Å |
| 1183 | N | 93 | Very high | 92.6 | Very high | 53 Ų | 53 | 53.9 Ų | 53.9 | 28% | 0.283 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -96.7 | 172.6 | -175.3 | -55.6 | -63.7 | 0 | 0 | 0 | 112.3 | A1179 I1189 V1190 | A1179-N1183 VanDerWaalsContact O-CB 3.32Å; A1179-N1183 WeakPolarHBondContact O-CB 3.33Å; A1179-N1183 PolarHBondContact O-N 3.18Å; A1179-N1183 PolarHBondContact O-ND2 3.26Å; N1183-I1189 HydrophobicContact CB-CG2 3.89Å; N1183-V1190 HydrophobicContact CB-CG2 4.06Å |
| 1184 | L | 87.8 | Confident | 92.6 | Very high | 128 Ų | 128 | 51.6 Ų | 51.6 | 67% | 0.67 | 27% | 0.267 | S | S | * | . | trans | -66.3 | 139.1 | 172 | -66.1 | 173.8 | 0 | 0 | 0 | 110.3 | D1186 S1187 V1190 | L1184-D1186 PolarHBondContact O-N 3.42Å; L1184-D1186 VanDerWaalsContact O-N 3.09Å; L1184-S1187 WeakPolarHBondContact O-CB 3.49Å; L1184-S1187 PolarHBondContact O-N 3.31Å; L1184-S1187 VanDerWaalsContact O-N 3.12Å; L1184-S1187 PolarHBondContact O-OG 3.37Å; L1184-V1190 WeakPolarHBondContact O-CG2 3.5Å | ||
| 1185 | P | 82.4 | Confident | 92.4 | Very high | 78 Ų | 78 | 51.8 Ų | 51.8 | 51% | 0.506 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -29.1 | -174.3 | -27.4 | 35.9 | 0 | 0 | 0 | 115.2 | V1190 | P1185-V1190 WeakPolarHBondContact O-CG1 3.11Š|
| 1186 | D | 84.2 | Confident | 92.4 | Very high | 148 Ų | 148 | 51.6 Ų | 51.6 | 79% | 0.791 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | 22.3 | -173.8 | -37.2 | -71.5 | 0 | 0 | 0 | 111.4 | L1184 | L1184-D1186 PolarHBondContact O-N 3.42Å; L1184-D1186 VanDerWaalsContact O-N 3.09Å |
| 1187 | S | 90.7 | Very high | 92.4 | Very high | 20 Ų | 20 | 51.7 Ų | 51.7 | 14% | 0.14 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -86.2 | 151.2 | 178.4 | 60.9 | 0 | 0 | 0 | 0 | 112.2 | L1184 I1189 V1190 E1191 | L1184-S1187 WeakPolarHBondContact O-CB 3.49Å; L1184-S1187 PolarHBondContact O-N 3.31Å; L1184-S1187 VanDerWaalsContact O-N 3.12Å; L1184-S1187 PolarHBondContact O-OG 3.37Å; S1187-I1189 VanDerWaalsContact C-N 3.25Å; S1187-I1189 PolarHBondContact O-N 3.1Å; S1187-I1189 WeakPolarHBondContact OG-CG2 3.44Å; S1187-V1190 WeakPolarHBondContact O-CA 3.4Å; S1187-V1190 WeakPolarHBondContact O-CB 3.39Å; S1187-V1190 PolarHBondContact O-N 2.99Å; S1187-V1190 WeakPolarHBondContact OG-CG2 3.4Å; S1187-E1191 PolarHBondContact O-N 2.8Å |
| 1188 | P | 90.3 | Very high | 92.4 | Very high | 73 Ų | 73 | 53.1 Ų | 53.1 | 47% | 0.474 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.6 | -35.9 | -177.5 | 21.4 | -33.2 | 0 | 0 | 0 | 112.8 | V1190 E1191 Q1192 | P1188-V1190 VanDerWaalsContact C-N 3.28Å; P1188-V1190 PolarHBondContact O-N 2.86Å; P1188-E1191 PolarHBondContact O-N 2.91Å; P1188-Q1192 WeakPolarHBondContact O-CB 3.16Å; P1188-Q1192 VanDerWaalsContact O-CG 3.32Å; P1188-Q1192 WeakPolarHBondContact O-CG 3.43Å; P1188-Q1192 PolarHBondContact O-N 3.07Å; P1188-Q1192 PolarHBondContact O-OE1 3.29Å |
| 1189 | I | 92.3 | Very high | 92.4 | Very high | 48 Ų | 48 | 53.1 Ų | 53.1 | 25% | 0.246 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.5 | -30.3 | 174.5 | -168.1 | 170.6 | 0 | 0 | 0 | 112.8 | P1127 F1128 N1183 S1187 A1193 | P1127-I1189 HydrophobicContact CB-CD1 3.85Å; P1127-I1189 HydrophobicContact CB-CG1 4.07Å; P1127-I1189 HydrophobicContact CG-CG1 4.45Å; F1128-I1189 HydrophobicContact CE1-CD1 4.3Å; F1128-I1189 HydrophobicContact CE1-CG1 3.85Å; F1128-I1189 HydrophobicContact CZ-CD1 4.49Å; F1128-I1189 HydrophobicContact CZ-CG1 3.65Å; F1128-I1189 WeakPolarHBondContact CZ-O 3.32Å; N1183-I1189 HydrophobicContact CB-CG2 3.89Å; S1187-I1189 VanDerWaalsContact C-N 3.25Å; S1187-I1189 PolarHBondContact O-N 3.1Å; S1187-I1189 WeakPolarHBondContact OG-CG2 3.44Å; I1189-A1193 VanDerWaalsContact O-CB 3.28Å; I1189-A1193 WeakPolarHBondContact O-CB 3.1Å; I1189-A1193 PolarHBondContact O-N 3.22Å |
| 1190 | V | 94 | Very high | 92.3 | Very high | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.024 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -74.6 | -38.4 | 173.7 | 169.9 | 0 | 0 | 0 | 0 | 111.7 | A1179 R1180 N1183 L1184 P1185 S1187 P1188 A1193 D1194 | A1179-V1190 HydrophobicContact CB-CG2 4.21Å; A1179-V1190 WeakPolarHBondContact O-CG2 3.2Å; R1180-V1190 HydrophobicContact CG-CG1 3.47Å; R1180-V1190 VanDerWaalsContact CG-CG1 3.47Å; R1180-V1190 HydrophobicContact CG-CG2 4.36Å; N1183-V1190 HydrophobicContact CB-CG2 4.06Å; L1184-V1190 WeakPolarHBondContact O-CG2 3.5Å; P1185-V1190 WeakPolarHBondContact O-CG1 3.11Å; S1187-V1190 WeakPolarHBondContact O-CA 3.4Å; S1187-V1190 WeakPolarHBondContact O-CB 3.39Å; S1187-V1190 PolarHBondContact O-N 2.99Å; S1187-V1190 WeakPolarHBondContact OG-CG2 3.4Å; P1188-V1190 VanDerWaalsContact C-N 3.28Å; P1188-V1190 PolarHBondContact O-N 2.86Å; V1190-A1193 PolarHBondContact O-N 3.16Å; V1190-D1194 WeakPolarHBondContact O-CB 3.42Å; V1190-D1194 PolarHBondContact O-N 2.99Å |
| 1191 | E | 91.9 | Very high | 92.3 | Very high | 94 Ų | 94 | 48.4 Ų | 48.4 | 44% | 0.439 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | 172.1 | -68.7 | -162.5 | 179.5 | 0 | 0 | 112.2 | S1187 P1188 D1194 L1195 R1223 | S1187-E1191 PolarHBondContact O-N 2.8Å; P1188-E1191 PolarHBondContact O-N 2.91Å; E1191-D1194 PolarHBondContact O-N 3.43Å; E1191-L1195 VanDerWaalsContact O-CB 3.28Å; E1191-L1195 WeakPolarHBondContact O-CB 3.17Å; E1191-L1195 PolarHBondContact O-N 3.32Å; E1191-R1223 IonicContact OE2-CZ 3.98Å; E1191-R1223 VanDerWaalsContact OE2-CZ 3.23Å; E1191-R1223 IonicContact OE2-NH1 2.6Å; E1191-R1223 PolarHBondContact OE2-NH1 2.93Å; E1191-R1223 IonicContact OE2-NH2 2.65Å; E1191-R1223 PolarHBondContact OE2-NH2 3.12Å |
| 1192 | Q | 94.1 | Very high | 92.4 | Very high | 56 Ų | 56 | 48.4 Ų | 48.4 | 26% | 0.262 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.7 | -46.1 | 175.8 | -75.4 | 171 | -49.4 | 0 | 0 | 110.7 | F1128 P1188 D1194 L1195 V1196 | F1128-Q1192 HydrophobicContact CE2-CB 3.94Å; F1128-Q1192 HydrophobicContact CZ-CB 4.27Å; P1188-Q1192 WeakPolarHBondContact O-CB 3.16Å; P1188-Q1192 VanDerWaalsContact O-CG 3.32Å; P1188-Q1192 WeakPolarHBondContact O-CG 3.43Å; P1188-Q1192 PolarHBondContact O-N 3.07Å; P1188-Q1192 PolarHBondContact O-OE1 3.29Å; Q1192-D1194 PolarHBondContact O-N 2.69Å; Q1192-L1195 PolarHBondContact O-N 3.16Å; Q1192-V1196 WeakPolarHBondContact O-CB 3.37Å; Q1192-V1196 VanDerWaalsContact O-CG2 3.28Å; Q1192-V1196 WeakPolarHBondContact O-CG2 3.34Å; Q1192-V1196 PolarHBondContact O-N 2.75Å |
| 1193 | A | 95.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.8 | -40 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F1128 I1175 C1176 A1179 I1189 V1190 T1197 | F1128-A1193 HydrophobicContact CE1-CB 3.84Å; F1128-A1193 HydrophobicContact CE2-CB 4.1Å; F1128-A1193 HydrophobicContact CZ-CB 3.52Å; I1175-A1193 HydrophobicContact CG2-CB 4.44Å; C1176-A1193 HydrophobicContact CB-CB 4.34Å; A1179-A1193 HydrophobicContact CB-CB 3.42Å; A1179-A1193 VanDerWaalsContact CB-CB 3.42Å; I1189-A1193 VanDerWaalsContact O-CB 3.28Å; I1189-A1193 WeakPolarHBondContact O-CB 3.1Å; I1189-A1193 PolarHBondContact O-N 3.22Å; V1190-A1193 PolarHBondContact O-N 3.16Å; A1193-T1197 WeakPolarHBondContact O-CB 3.13Å; A1193-T1197 PolarHBondContact O-N 3.18Å; A1193-T1197 PolarHBondContact O-OG1 3.26Å |
| 1194 | D | 94.4 | Very high | 92.4 | Very high | 33 Ų | 33 | 43.4 Ų | 43.4 | 18% | 0.176 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.5 | -40 | 175.8 | -170.9 | 82 | 0 | 0 | 0 | 111.7 | C1176 R1180 V1190 E1191 Q1192 K1198 | C1176-D1194 VanDerWaalsContact SG-CA 3.58Å; R1180-D1194 IonicContact CZ-OD1 3.84Å; R1180-D1194 IonicContact NH1-OD1 3.54Å; R1180-D1194 PolarHBondContact NH1-OD1 3.28Å; R1180-D1194 VanDerWaalsContact NH2-CG 3.26Å; R1180-D1194 IonicContact NH2-OD1 2.96Å; R1180-D1194 PolarHBondContact NH2-OD1 3.44Å; R1180-D1194 IonicContact NH2-OD2 2.82Å; V1190-D1194 WeakPolarHBondContact O-CB 3.42Å; V1190-D1194 PolarHBondContact O-N 2.99Å; E1191-D1194 PolarHBondContact O-N 3.43Å; Q1192-D1194 PolarHBondContact O-N 2.69Å; D1194-K1198 WeakPolarHBondContact O-CB 3.48Å; D1194-K1198 WeakPolarHBondContact O-CD 3.15Å; D1194-K1198 VanDerWaalsContact O-CG 3.26Å; D1194-K1198 WeakPolarHBondContact O-CG 3.43Å; D1194-K1198 PolarHBondContact O-N 3.36Å; D1194-K1198 WeakPolarHBondContact OD2-CE 3.45Å; D1194-K1198 IonicContact OD2-NZ 3.23Å; D1194-K1198 PolarHBondContact OD2-NZ 3.43Å |
| 1195 | L | 93.7 | Very high | 92.6 | Very high | 19 Ų | 19 | 41.2 Ų | 41.2 | 10% | 0.099 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.8 | -53 | 174.7 | 178.4 | 59.4 | 0 | 0 | 0 | 112 | C1124 E1191 Q1192 T1197 K1198 I1199 Y1216 F1219 | C1124-L1195 HydrophobicContact CB-CD2 3.99Å; E1191-L1195 VanDerWaalsContact O-CB 3.28Å; E1191-L1195 WeakPolarHBondContact O-CB 3.17Å; E1191-L1195 PolarHBondContact O-N 3.32Å; Q1192-L1195 PolarHBondContact O-N 3.16Å; L1195-T1197 VanDerWaalsContact C-N 3.29Å; L1195-T1197 PolarHBondContact O-N 3.5Å; L1195-K1198 PolarHBondContact O-N 2.87Å; L1195-K1198 VanDerWaalsContact O-N 3.17Å; L1195-I1199 HydrophobicContact CD1-CD1 3.71Å; L1195-I1199 HydrophobicContact CD1-CG1 4.17Å; L1195-I1199 HydrophobicContact CG-CD1 3.72Å; L1195-I1199 WeakPolarHBondContact O-CD1 3.24Å; L1195-I1199 VanDerWaalsContact O-CG1 3.28Å; L1195-I1199 WeakPolarHBondContact O-CG1 3.05Å; L1195-I1199 PolarHBondContact O-N 2.76Å; L1195-Y1216 HydrophobicContact CD2-CE2 4.42Å; L1195-F1219 HydrophobicContact CD1-CB 3.67Å; L1195-F1219 HydrophobicContact CD1-CG 4.2Å |
| 1196 | V | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.6 | -44.6 | 175.9 | 166.2 | 0 | 0 | 0 | 0 | 111.2 | L1119 C1124 A1125 F1128 L1150 Q1192 L1200 | L1119-V1196 HydrophobicContact CD2-CG1 4.17Å; C1124-V1196 HydrophobicContact CB-CG2 4.29Å; C1124-V1196 WeakPolarHBondContact O-CG2 3.2Å; A1125-V1196 HydrophobicContact CB-CG2 4.15Å; F1128-V1196 HydrophobicContact CD2-CG2 4.26Å; F1128-V1196 HydrophobicContact CE2-CG2 4.47Å; L1150-V1196 HydrophobicContact CD1-CG1 4.35Å; L1150-V1196 HydrophobicContact CD2-CG1 4.23Å; Q1192-V1196 WeakPolarHBondContact O-CB 3.37Å; Q1192-V1196 VanDerWaalsContact O-CG2 3.28Å; Q1192-V1196 WeakPolarHBondContact O-CG2 3.34Å; Q1192-V1196 PolarHBondContact O-N 2.75Å; V1196-L1200 WeakPolarHBondContact O-CB 3.4Å; V1196-L1200 PolarHBondContact O-N 2.92Å |
| 1197 | T | 96 | Very high | 92.8 | Very high | 8 Ų | 8 | 36.3 Ų | 36.3 | 5% | 0.049 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.8 | -43.7 | 178 | -60.9 | 0 | 0 | 0 | 0 | 111.6 | V1172 C1176 A1193 L1195 I1201 | V1172-T1197 HydrophobicContact CG1-CG2 4.26Å; C1176-T1197 HydrophobicContact CB-CG2 4.21Å; C1176-T1197 VanDerWaalsContact CB-OG1 3.29Å; C1176-T1197 WeakPolarHBondContact CB-OG1 3.48Å; A1193-T1197 WeakPolarHBondContact O-CB 3.13Å; A1193-T1197 PolarHBondContact O-N 3.18Å; A1193-T1197 PolarHBondContact O-OG1 3.26Å; L1195-T1197 VanDerWaalsContact C-N 3.29Å; L1195-T1197 PolarHBondContact O-N 3.5Å; T1197-I1201 HydrophobicContact CG2-CD1 3.68Å; T1197-I1201 WeakPolarHBondContact O-CB 2.96Å; T1197-I1201 VanDerWaalsContact O-CG1 3.22Å; T1197-I1201 WeakPolarHBondContact O-CG1 3.39Å; T1197-I1201 PolarHBondContact O-N 3.48Å |
| 1198 | K | 94.4 | Very high | 92.5 | Very high | 102 Ų | 102 | 41.6 Ų | 41.6 | 44% | 0.443 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.9 | -47.6 | 176.9 | -79.7 | 166.2 | 171.6 | 167.2 | 0 | 112.7 | D1194 L1195 K1202 F1219 | D1194-K1198 WeakPolarHBondContact O-CB 3.48Å; D1194-K1198 WeakPolarHBondContact O-CD 3.15Å; D1194-K1198 VanDerWaalsContact O-CG 3.26Å; D1194-K1198 WeakPolarHBondContact O-CG 3.43Å; D1194-K1198 PolarHBondContact O-N 3.36Å; D1194-K1198 WeakPolarHBondContact OD2-CE 3.45Å; D1194-K1198 IonicContact OD2-NZ 3.23Å; D1194-K1198 PolarHBondContact OD2-NZ 3.43Å; L1195-K1198 PolarHBondContact O-N 2.87Å; L1195-K1198 VanDerWaalsContact O-N 3.17Å; K1198-K1202 VanDerWaalsContact O-CB 3.26Å; K1198-K1202 WeakPolarHBondContact O-CB 3.27Å; K1198-K1202 PolarHBondContact O-N 2.83Å; K1198-F1219 HydrophobicContact CB-CE1 4.25Å; K1198-F1219 HydrophobicContact CB-CE2 4.22Å; K1198-F1219 HydrophobicContact CB-CZ 3.86Å; K1198-F1219 HydrophobicContact CD-CE1 4.39Å |
| 1199 | I | 94.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.9 | -52.6 | 178 | -68.9 | 158.5 | 0 | 0 | 0 | 110 | L1119 L1195 K1202 Y1203 I1212 I1215 Y1216 F1219 | L1119-I1199 HydrophobicContact CD1-CG2 4.23Å; L1119-I1199 HydrophobicContact CD2-CG2 4.41Å; L1195-I1199 HydrophobicContact CD1-CD1 3.71Å; L1195-I1199 HydrophobicContact CD1-CG1 4.17Å; L1195-I1199 HydrophobicContact CG-CD1 3.72Å; L1195-I1199 WeakPolarHBondContact O-CD1 3.24Å; L1195-I1199 VanDerWaalsContact O-CG1 3.28Å; L1195-I1199 WeakPolarHBondContact O-CG1 3.05Å; L1195-I1199 PolarHBondContact O-N 2.76Å; I1199-K1202 PolarHBondContact O-N 3.08Å; I1199-Y1203 WeakPolarHBondContact O-CB 3.14Å; I1199-Y1203 PolarHBondContact O-N 2.89Å; I1199-I1212 HydrophobicContact CG2-CD1 3.94Å; I1199-I1212 HydrophobicContact CG2-CG1 3.55Å; I1199-I1215 HydrophobicContact CB-CG2 4.35Å; I1199-I1215 HydrophobicContact CG1-CG2 4.41Å; I1199-I1215 HydrophobicContact CG2-CG2 4.02Å; I1199-Y1216 HydrophobicContact CD1-CD2 3.69Å; I1199-Y1216 HydrophobicContact CD1-CG 4.48Å; I1199-F1219 HydrophobicContact CG1-CD2 3.61Å; I1199-F1219 HydrophobicContact CG1-CE2 4.18Å; I1199-F1219 HydrophobicContact CG1-CG 4.38Å |
| 1200 | L | 94.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.5 | -38 | -174 | -173.1 | 54.1 | 0 | 0 | 0 | 112.4 | I1116 L1119 L1150 V1172 V1196 Y1203 I1204 I1212 | I1116-L1200 HydrophobicContact CD1-CD1 4.47Å; I1116-L1200 HydrophobicContact CD1-CD2 4.21Å; I1116-L1200 HydrophobicContact CG1-CD1 3.73Å; I1116-L1200 HydrophobicContact CG1-CD2 3.83Å; I1116-L1200 HydrophobicContact CG1-CG 4.46Å; L1119-L1200 HydrophobicContact CD2-CB 3.93Å; L1119-L1200 HydrophobicContact CD2-CD1 4.43Å; L1119-L1200 HydrophobicContact CD2-CD2 4.35Å; L1119-L1200 HydrophobicContact CD2-CG 4.47Å; L1150-L1200 HydrophobicContact CD2-CD2 3.94Å; V1172-L1200 HydrophobicContact CB-CD2 4.46Å; V1172-L1200 HydrophobicContact CG1-CB 4.1Å; V1172-L1200 HydrophobicContact CG1-CD2 3.95Å; V1172-L1200 HydrophobicContact CG1-CG 4.11Å; V1172-L1200 HydrophobicContact CG2-CD2 3.6Å; V1172-L1200 HydrophobicContact CG2-CG 4.09Å; V1196-L1200 WeakPolarHBondContact O-CB 3.4Å; V1196-L1200 PolarHBondContact O-N 2.92Å; L1200-Y1203 PolarHBondContact O-N 3.35Å; L1200-I1204 HydrophobicContact CD1-CD1 4.33Å; L1200-I1204 HydrophobicContact CG-CD1 4.12Å; L1200-I1204 WeakPolarHBondContact O-CB 3.34Å; L1200-I1204 WeakPolarHBondContact O-CD1 3.31Å; L1200-I1204 WeakPolarHBondContact O-CG1 3.47Å; L1200-I1204 PolarHBondContact O-N 3.44Å; L1200-I1212 HydrophobicContact CD1-CD1 4.06Å |
| 1201 | I | 94.9 | Very high | 91.2 | Very high | 35 Ų | 35 | 46.1 Ų | 46.1 | 18% | 0.179 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.3 | -45.1 | 172.2 | -69 | 170.3 | 0 | 0 | 0 | 110.8 | V1172 N1173 T1197 Y1203 I1204 D1205 | V1172-I1201 HydrophobicContact CG1-CD1 4.4Å; V1172-I1201 HydrophobicContact CG1-CG1 3.91Å; N1173-I1201 VanDerWaalsContact ND2-CD1 3.28Å; N1173-I1201 WeakPolarHBondContact ND2-CD1 3.46Å; T1197-I1201 HydrophobicContact CG2-CD1 3.68Å; T1197-I1201 WeakPolarHBondContact O-CB 2.96Å; T1197-I1201 VanDerWaalsContact O-CG1 3.22Å; T1197-I1201 WeakPolarHBondContact O-CG1 3.39Å; T1197-I1201 PolarHBondContact O-N 3.48Å; I1201-Y1203 VanDerWaalsContact C-N 3.3Å; I1201-Y1203 PolarHBondContact O-N 3.43Å; I1201-I1204 PolarHBondContact O-N 3.36Å; I1201-D1205 PolarHBondContact O-N 3.37Å |
| 1202 | K | 93.4 | Very high | 91.1 | Very high | 62 Ų | 62 | 41.8 Ų | 41.8 | 27% | 0.27 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63 | -36.2 | 178.1 | -168.1 | 177.8 | -178 | -171.7 | 0 | 111.9 | K1198 I1199 S1206 I1215 E1218 F1219 | K1198-K1202 VanDerWaalsContact O-CB 3.26Å; K1198-K1202 WeakPolarHBondContact O-CB 3.27Å; K1198-K1202 PolarHBondContact O-N 2.83Å; I1199-K1202 PolarHBondContact O-N 3.08Å; K1202-S1206 WeakPolarHBondContact O-CB 3.19Å; K1202-S1206 PolarHBondContact O-N 2.86Å; K1202-S1206 PolarHBondContact O-OG 3.19Å; K1202-I1215 HydrophobicContact CB-CG2 4.3Å; K1202-I1215 HydrophobicContact CD-CG2 4.03Å; K1202-I1215 HydrophobicContact CG-CD1 4.38Å; K1202-I1215 HydrophobicContact CG-CG2 4.44Å; K1202-E1218 IonicContact NZ-OE1 3.13Å; K1202-E1218 PolarHBondContact NZ-OE1 2.89Å; K1202-E1218 IonicContact NZ-OE2 3.72Å; K1202-E1218 PolarHBondContact NZ-OE2 3.18Å; K1202-F1219 HydrophobicContact CB-CE2 4.36Å; K1202-F1219 HydrophobicContact CD-CE2 3.71Å; K1202-F1219 HydrophobicContact CD-CZ 3.95Å |
| 1203 | Y | 94.5 | Very high | 90.7 | Very high | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.3 | -41.2 | 173.1 | -174.1 | -98.5 | 0 | 0 | 0 | 112.8 | R1111 I1199 L1200 I1201 S1206 C1209 H1210 I1212 I1215 | R1111-Y1203 HydrophobicContact CG-CE1 4.19Å; R1111-Y1203 PolarHBondContact NH1-O 3.45Å; R1111-Y1203 PolarHBondContact NH2-O 2.85Å; R1111-Y1203 PolarHBondContact O-OH 2.76Å; I1199-Y1203 WeakPolarHBondContact O-CB 3.14Å; I1199-Y1203 PolarHBondContact O-N 2.89Å; L1200-Y1203 PolarHBondContact O-N 3.35Å; I1201-Y1203 VanDerWaalsContact C-N 3.3Å; I1201-Y1203 PolarHBondContact O-N 3.43Å; Y1203-S1206 CarbonylContact O-C 3.56Å; Y1203-S1206 PolarHBondContact O-N 3.48Å; Y1203-C1209 HydrophobicContact CD2-CB 4.27Å; Y1203-C1209 HydrophobicContact CE2-CB 4.4Å; Y1203-H1210 PolarHBondContact OH-O 3.2Å; Y1203-I1212 HydrophobicContact CD1-CD1 4.02Å; Y1203-I1212 HydrophobicContact CD2-CB 3.69Å; Y1203-I1212 HydrophobicContact CD2-CD1 4.04Å; Y1203-I1212 HydrophobicContact CD2-CG1 3.78Å; Y1203-I1212 HydrophobicContact CE2-CB 3.84Å; Y1203-I1212 HydrophobicContact CE2-CG1 4.42Å; Y1203-I1212 HydrophobicContact CG-CB 4.23Å; Y1203-I1212 HydrophobicContact CG-CD1 3.66Å; Y1203-I1212 HydrophobicContact CG-CG1 3.9Å; Y1203-I1215 HydrophobicContact CD2-CD1 4.09Å |
| 1204 | I | 92 | Very high | 90.2 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.2 | -46.5 | 175.4 | -73.6 | 165.9 | 0 | 0 | 0 | 111 | R1111 I1112 L1165 V1168 K1169 V1172 L1200 I1201 | R1111-I1204 PolarHBondContact NH2-O 2.94Å; I1112-I1204 HydrophobicContact CD1-CG1 4.1Å; I1112-I1204 HydrophobicContact CG1-CG1 4.13Å; I1112-I1204 HydrophobicContact CG2-CD1 4.35Å; I1112-I1204 HydrophobicContact CG2-CG1 4.16Å; L1165-I1204 HydrophobicContact CD1-CG2 3.91Å; L1165-I1204 HydrophobicContact CD2-CG2 3.86Å; L1165-I1204 HydrophobicContact CG-CG2 3.85Å; V1168-I1204 HydrophobicContact CG1-CD1 4.12Å; K1169-I1204 HydrophobicContact CD-CG2 4.43Å; K1169-I1204 HydrophobicContact CG-CG2 3.96Å; V1172-I1204 HydrophobicContact CG2-CD1 4.33Å; L1200-I1204 HydrophobicContact CD1-CD1 4.33Å; L1200-I1204 HydrophobicContact CG-CD1 4.12Å; L1200-I1204 WeakPolarHBondContact O-CB 3.34Å; L1200-I1204 WeakPolarHBondContact O-CD1 3.31Å; L1200-I1204 WeakPolarHBondContact O-CG1 3.47Å; L1200-I1204 PolarHBondContact O-N 3.44Å; I1201-I1204 PolarHBondContact O-N 3.36Å |
| 1205 | D | 91.4 | Very high | 89.9 | Confident | 82 Ų | 82 | 44.4 Ų | 44.4 | 44% | 0.439 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -70.4 | -31.6 | 177.3 | -77.5 | -45.3 | 0 | 0 | 0 | 112.6 | K1169 I1201 Q1207 | K1169-D1205 WeakPolarHBondContact CE-OD1 3.45Å; K1169-D1205 IonicContact NZ-OD1 3.97Å; K1169-D1205 PolarHBondContact NZ-OD1 3.27Å; K1169-D1205 IonicContact NZ-OD2 2.61Å; K1169-D1205 PolarHBondContact NZ-OD2 3.31Å; I1201-D1205 PolarHBondContact O-N 3.37Å; D1205-Q1207 VanDerWaalsContact C-N 3.31Å; D1205-Q1207 PolarHBondContact O-N 3.3Å |
| 1206 | S | 89.6 | Confident | 89.6 | Confident | 45 Ų | 45 | 45.4 Ų | 45.4 | 32% | 0.315 | 23% | 0.229 | S | C | . | . | trans | -81.4 | 70.8 | 175.5 | -57 | 0 | 0 | 0 | 0 | 111.6 | R1111 K1202 Y1203 N1208 C1209 | R1111-S1206 PolarHBondContact NH1-O 2.87Å; K1202-S1206 WeakPolarHBondContact O-CB 3.19Å; K1202-S1206 PolarHBondContact O-N 2.86Å; K1202-S1206 PolarHBondContact O-OG 3.19Å; Y1203-S1206 CarbonylContact O-C 3.56Å; Y1203-S1206 PolarHBondContact O-N 3.48Å; S1206-N1208 PolarHBondContact O-N 3.2Å; S1206-C1209 WeakPolarHBondContact O-CB 3.45Å; S1206-C1209 PolarHBondContact O-N 2.85Å | ||
| 1207 | Q | 82.2 | Confident | 89.1 | Confident | 77 Ų | 77 | 51.6 Ų | 51.6 | 36% | 0.36 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -17.9 | -176.8 | -63.3 | 175.1 | 17.1 | 0 | 0 | 115.9 | P1101 R1103 D1205 | P1101-Q1207 HydrophobicContact CB-CG 4.23Å; P1101-Q1207 HydrophobicContact CG-CG 3.92Å; R1103-Q1207 PolarHBondContact NE-O 2.78Å; R1103-Q1207 PolarHBondContact NH2-O 2.78Å; D1205-Q1207 VanDerWaalsContact C-N 3.31Å; D1205-Q1207 PolarHBondContact O-N 3.3Å |
| 1208 | N | 83.7 | Confident | 88.5 | Confident | 131 Ų | 131 | 56.3 Ų | 56.3 | 70% | 0.701 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | -4.3 | 177.4 | -66.5 | -25.3 | 0 | 0 | 0 | 113.8 | R1103 S1206 | R1103-N1208 PolarHBondContact NH2-OD1 2.84Å; S1206-N1208 PolarHBondContact O-N 3.2Å |
| 1209 | C | 81.8 | Confident | 87.9 | Confident | 21 Ų | 21 | 53.7 Ų | 53.7 | 14% | 0.142 | 27% | 0.268 | C | S | . | . | trans | -78.3 | 129.9 | 171.2 | -173.7 | 0 | 0 | 0 | 0 | 109.5 | R1111 Y1203 S1206 D1211 I1215 | R1111-C1209 PolarHBondContact NH1-O 3.45Å; Y1203-C1209 HydrophobicContact CD2-CB 4.27Å; Y1203-C1209 HydrophobicContact CE2-CB 4.4Å; S1206-C1209 WeakPolarHBondContact O-CB 3.45Å; S1206-C1209 PolarHBondContact O-N 2.85Å; C1209-D1211 PolarHBondContact SG-O 2.91Å; C1209-I1215 HydrophobicContact CB-CD1 4.36Å | ||
| 1210 | H | 82.1 | Confident | 87 | Confident | 117 Ų | 117 | 57.4 Ų | 57.4 | 54% | 0.542 | 29% | 0.287 | S | S | . | . | trans | -113 | -20.8 | 175.4 | -76.9 | -82.1 | 0 | 0 | 0 | 112.6 | R1103 Y1203 | R1103-H1210 PolarHBondContact NH1-CE1 3.48Å; R1103-H1210 PolarHBondContact NH1-NE2 2.97Å; Y1203-H1210 PolarHBondContact OH-O 3.2Å | ||
| 1211 | D | 85 | Confident | 85.7 | Confident | 83 Ų | 83 | 63.4 Ų | 63.4 | 44% | 0.444 | 32% | 0.323 | S | S | . | . | trans | -106.3 | 107.8 | 179 | -172.4 | -15.7 | 0 | 0 | 0 | 110.6 | C1209 G1213 Q1214 | C1209-D1211 PolarHBondContact SG-O 2.91Å; D1211-G1213 VanDerWaalsContact C-N 3.3Å; D1211-G1213 VanDerWaalsContact OD1-CA 3.28Å; D1211-G1213 WeakPolarHBondContact OD1-CA 3.43Å; D1211-G1213 PolarHBondContact OD1-N 2.93Å; D1211-Q1214 HydrophobicContact CB-CB 4.37Å; D1211-Q1214 PolarHBondContact OD1-N 3.4Å | ||
| 1212 | I | 90.3 | Very high | 83.9 | Confident | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -77.3 | -19 | 177.1 | -158.5 | 161.4 | 0 | 0 | 0 | 112.4 | H1118 L1119 I1199 L1200 Y1203 I1215 Y1216 | H1118-I1212 HydrophobicContact CB-CG2 3.78Å; H1118-I1212 VanDerWaalsContact CD2-CG2 3.45Å; H1118-I1212 WeakPolarHBondContact CD2-CG2 3.28Å; L1119-I1212 HydrophobicContact CB-CD1 4.24Å; L1119-I1212 HydrophobicContact CB-CG2 4.5Å; L1119-I1212 HydrophobicContact CD2-CD1 4.12Å; I1199-I1212 HydrophobicContact CG2-CD1 3.94Å; I1199-I1212 HydrophobicContact CG2-CG1 3.55Å; L1200-I1212 HydrophobicContact CD1-CD1 4.06Å; Y1203-I1212 HydrophobicContact CD1-CD1 4.02Å; Y1203-I1212 HydrophobicContact CD2-CB 3.69Å; Y1203-I1212 HydrophobicContact CD2-CD1 4.04Å; Y1203-I1212 HydrophobicContact CD2-CG1 3.78Å; Y1203-I1212 HydrophobicContact CE2-CB 3.84Å; Y1203-I1212 HydrophobicContact CE2-CG1 4.42Å; Y1203-I1212 HydrophobicContact CG-CB 4.23Å; Y1203-I1212 HydrophobicContact CG-CD1 3.66Å; Y1203-I1212 HydrophobicContact CG-CG1 3.9Å; I1212-I1215 PolarHBondContact O-N 2.85Å; I1212-Y1216 PolarHBondContact O-N 3.47Å |
| 1213 | G | 85.3 | Confident | 81.7 | Confident | 10 Ų | 10 | 70.9 Ų | 70.9 | 10% | 0.103 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | D1211 I1215 Y1216 E1217 | D1211-G1213 VanDerWaalsContact C-N 3.3Å; D1211-G1213 VanDerWaalsContact OD1-CA 3.28Å; D1211-G1213 WeakPolarHBondContact OD1-CA 3.43Å; D1211-G1213 PolarHBondContact OD1-N 2.93Å; G1213-I1215 VanDerWaalsContact C-N 3.25Å; G1213-I1215 PolarHBondContact O-N 2.76Å; G1213-Y1216 WeakPolarHBondContact O-CA 3.49Å; G1213-Y1216 WeakPolarHBondContact O-CB 3.39Å; G1213-Y1216 PolarHBondContact O-N 3.21Å; G1213-E1217 PolarHBondContact O-N 3.35Å |
| 1214 | Q | 85.6 | Confident | 79.1 | Confident | 127 Ų | 127 | 76.9 Ų | 76.9 | 59% | 0.593 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -57.4 | -37.6 | 172.9 | -169.5 | 179.5 | 29.9 | 0 | 0 | 112.5 | D1211 E1218 | D1211-Q1214 HydrophobicContact CB-CB 4.37Å; D1211-Q1214 PolarHBondContact OD1-N 3.4Å; Q1214-E1218 PolarHBondContact O-N 3.34Å |
| 1215 | I | 87.5 | Confident | 76.1 | Confident | 7 Ų | 7 | 79.9 Ų | 79.9 | 4% | 0.036 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -72.6 | -35.8 | 175.6 | -65.7 | -178 | 0 | 0 | 0 | 111.3 | I1199 K1202 Y1203 C1209 I1212 G1213 E1218 F1219 | I1199-I1215 HydrophobicContact CB-CG2 4.35Å; I1199-I1215 HydrophobicContact CG1-CG2 4.41Å; I1199-I1215 HydrophobicContact CG2-CG2 4.02Å; K1202-I1215 HydrophobicContact CB-CG2 4.3Å; K1202-I1215 HydrophobicContact CD-CG2 4.03Å; K1202-I1215 HydrophobicContact CG-CD1 4.38Å; K1202-I1215 HydrophobicContact CG-CG2 4.44Å; Y1203-I1215 HydrophobicContact CD2-CD1 4.09Å; C1209-I1215 HydrophobicContact CB-CD1 4.36Å; I1212-I1215 PolarHBondContact O-N 2.85Å; G1213-I1215 VanDerWaalsContact C-N 3.25Å; G1213-I1215 PolarHBondContact O-N 2.76Å; I1215-E1218 PolarHBondContact O-N 2.81Å; I1215-F1219 HydrophobicContact CG2-CD2 3.86Å; I1215-F1219 HydrophobicContact CG2-CE2 3.85Å; I1215-F1219 VanDerWaalsContact O-CD2 3.32Å; I1215-F1219 WeakPolarHBondContact O-CD2 3.31Å; I1215-F1219 PolarHBondContact O-N 3.12Å |
| 1216 | Y | 87.3 | Confident | 73.3 | Confident | 41 Ų | 41 | 82.6 Ų | 82.6 | 16% | 0.161 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 174.6 | 172.9 | -120.5 | 0 | 0 | 0 | 112.1 | L1122 C1124 L1195 I1199 I1212 G1213 F1219 L1220 | L1122-Y1216 HydrophobicContact CD1-CD1 3.7Å; L1122-Y1216 HydrophobicContact CD1-CD2 4.27Å; L1122-Y1216 HydrophobicContact CD1-CE1 4.24Å; L1122-Y1216 HydrophobicContact CD1-CG 3.7Å; L1122-Y1216 HydrophobicContact CD2-CD1 4.02Å; L1122-Y1216 HydrophobicContact CD2-CE1 4.03Å; L1122-Y1216 HydrophobicContact CG-CD1 4.41Å; C1124-Y1216 HydrophobicContact CB-CE2 4.26Å; C1124-Y1216 VanDerWaalsContact SG-CE2 3.55Å; L1195-Y1216 HydrophobicContact CD2-CE2 4.42Å; I1199-Y1216 HydrophobicContact CD1-CD2 3.69Å; I1199-Y1216 HydrophobicContact CD1-CG 4.48Å; I1212-Y1216 PolarHBondContact O-N 3.47Å; G1213-Y1216 WeakPolarHBondContact O-CA 3.49Å; G1213-Y1216 WeakPolarHBondContact O-CB 3.39Å; G1213-Y1216 PolarHBondContact O-N 3.21Å; Y1216-F1219 PolarHBondContact O-N 3.23Å; Y1216-L1220 HydrophobicContact CD1-CD1 3.99Å; Y1216-L1220 HydrophobicContact CD2-CD1 4.49Å; Y1216-L1220 HydrophobicContact CD2-CG 4.47Å; Y1216-L1220 HydrophobicContact CE1-CD1 3.58Å; Y1216-L1220 HydrophobicContact CE1-CG 4.46Å; Y1216-L1220 HydrophobicContact CE2-CD1 4.13Å; Y1216-L1220 HydrophobicContact CE2-CD2 4.48Å; Y1216-L1220 HydrophobicContact CE2-CG 4.14Å; Y1216-L1220 HydrophobicContact CG-CD1 4.45Å; Y1216-L1220 PolarHBondContact O-N 3.19Å |
| 1217 | E | 85.1 | Confident | 70.4 | Confident | 129 Ų | 129 | 85.2 Ų | 85.2 | 60% | 0.603 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -59.7 | -44.8 | 174 | -71.5 | -177.2 | 169.6 | 0 | 0 | 111.9 | G1213 F1219 L1220 V1221 | G1213-E1217 PolarHBondContact O-N 3.35Å; E1217-F1219 VanDerWaalsContact C-N 3.3Å; E1217-F1219 PolarHBondContact O-N 3.49Å; E1217-L1220 WeakPolarHBondContact O-CB 3.34Å; E1217-L1220 PolarHBondContact O-N 2.81Å; E1217-V1221 PolarHBondContact O-N 2.92Å; E1217-V1221 VanDerWaalsContact O-N 3.12Å |
| 1218 | E | 83.8 | Confident | 67.7 | Low | 107 Ų | 107 | 89.1 Ų | 89.1 | 50% | 0.5 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58 | -41.2 | 176.6 | -163 | -169.7 | 162.3 | 0 | 0 | 112.1 | K1202 Q1214 I1215 | K1202-E1218 IonicContact NZ-OE1 3.13Å; K1202-E1218 PolarHBondContact NZ-OE1 2.89Å; K1202-E1218 IonicContact NZ-OE2 3.72Å; K1202-E1218 PolarHBondContact NZ-OE2 3.18Å; Q1214-E1218 PolarHBondContact O-N 3.34Å; I1215-E1218 PolarHBondContact O-N 2.81Å |
| 1219 | F | 82.4 | Confident | 65.1 | Low | 47 Ų | 47 | 86 Ų | 86 | 21% | 0.206 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -77.8 | -14.8 | 175.5 | -80.2 | -66 | 0 | 0 | 0 | 114.7 | L1195 K1198 I1199 K1202 I1215 Y1216 E1217 | L1195-F1219 HydrophobicContact CD1-CB 3.67Å; L1195-F1219 HydrophobicContact CD1-CG 4.2Å; K1198-F1219 HydrophobicContact CB-CE1 4.25Å; K1198-F1219 HydrophobicContact CB-CE2 4.22Å; K1198-F1219 HydrophobicContact CB-CZ 3.86Å; K1198-F1219 HydrophobicContact CD-CE1 4.39Å; I1199-F1219 HydrophobicContact CG1-CD2 3.61Å; I1199-F1219 HydrophobicContact CG1-CE2 4.18Å; I1199-F1219 HydrophobicContact CG1-CG 4.38Å; K1202-F1219 HydrophobicContact CB-CE2 4.36Å; K1202-F1219 HydrophobicContact CD-CE2 3.71Å; K1202-F1219 HydrophobicContact CD-CZ 3.95Å; I1215-F1219 HydrophobicContact CG2-CD2 3.86Å; I1215-F1219 HydrophobicContact CG2-CE2 3.85Å; I1215-F1219 VanDerWaalsContact O-CD2 3.32Å; I1215-F1219 WeakPolarHBondContact O-CD2 3.31Å; I1215-F1219 PolarHBondContact O-N 3.12Å; Y1216-F1219 PolarHBondContact O-N 3.23Å; E1217-F1219 VanDerWaalsContact C-N 3.3Å; E1217-F1219 PolarHBondContact O-N 3.49Å |
| 1220 | L | 75.3 | Confident | 62.6 | Low | 78 Ų | 78 | 91 Ų | 91 | 41% | 0.408 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -77.7 | -39.9 | 171.3 | -84 | 170.4 | 0 | 0 | 0 | 111.7 | Y1216 E1217 D1222 R1223 | Y1216-L1220 HydrophobicContact CD1-CD1 3.99Å; Y1216-L1220 HydrophobicContact CD2-CD1 4.49Å; Y1216-L1220 HydrophobicContact CD2-CG 4.47Å; Y1216-L1220 HydrophobicContact CE1-CD1 3.58Å; Y1216-L1220 HydrophobicContact CE1-CG 4.46Å; Y1216-L1220 HydrophobicContact CE2-CD1 4.13Å; Y1216-L1220 HydrophobicContact CE2-CD2 4.48Å; Y1216-L1220 HydrophobicContact CE2-CG 4.14Å; Y1216-L1220 HydrophobicContact CG-CD1 4.45Å; Y1216-L1220 PolarHBondContact O-N 3.19Å; E1217-L1220 WeakPolarHBondContact O-CB 3.34Å; E1217-L1220 PolarHBondContact O-N 2.81Å; L1220-D1222 PolarHBondContact O-N 2.81Å; L1220-R1223 PolarHBondContact O-N 2.75Å |
| 1221 | V | 65.5 | Low | 60 | Low | 126 Ų | 126 | 92.9 Ų | 92.9 | 76% | 0.764 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.8 | -31.4 | -179.2 | 172.6 | 0 | 0 | 0 | 0 | 112.5 | E1217 R1223 | E1217-V1221 PolarHBondContact O-N 2.92Å; E1217-V1221 VanDerWaalsContact O-N 3.12Å; V1221-R1223 VanDerWaalsContact C-N 3.29Å; V1221-R1223 PolarHBondContact O-N 3.17Å |
| 1222 | D | 58.6 | Low | 57.4 | Low | 134 Ų | 134 | 92.5 Ų | 92.5 | 72% | 0.717 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -2.3 | -179.2 | -101.2 | 0.5 | 0 | 0 | 0 | 115 | L1220 P1224 | L1220-D1222 PolarHBondContact O-N 2.81Å; D1222-P1224 WeakPolarHBondContact O-CD 3.38Å |
| 1223 | R | 47.6 | Very low | 54.5 | Low | 120 Ų | 120 | 99.4 Ų | 99.4 | 45% | 0.453 | 58% | 0.578 | S | S | . | * | S | Bend | trans | -86 | 116.5 | 177.7 | -79.9 | -174.5 | 169.5 | -106.8 | 1.3 | 111.7 | E1191 L1220 V1221 G1225 | E1191-R1223 IonicContact OE2-CZ 3.98Å; E1191-R1223 VanDerWaalsContact OE2-CZ 3.23Å; E1191-R1223 IonicContact OE2-NH1 2.6Å; E1191-R1223 PolarHBondContact OE2-NH1 2.93Å; E1191-R1223 IonicContact OE2-NH2 2.65Å; E1191-R1223 PolarHBondContact OE2-NH2 3.12Å; L1220-R1223 PolarHBondContact O-N 2.75Å; V1221-R1223 VanDerWaalsContact C-N 3.29Å; V1221-R1223 PolarHBondContact O-N 3.17Å; R1223-G1225 PolarHBondContact O-N 2.94Å |
| 1224 | P | 39.5 | Very low | 51.9 | Low | 131 Ų | 131 | 105 Ų | 105 | 85% | 0.851 | 61% | 0.606 | S | S | * | * | trans | -71.8 | 100.5 | 174.5 | 29.2 | -33.8 | 0 | 0 | 0 | 110.7 | D1222 | D1222-P1224 WeakPolarHBondContact O-CD 3.38Š| ||
| 1225 | G | 28.6 | Very low | 49.2 | Very low | 63 Ų | 63 | 105.4 Ų | 105.4 | 65% | 0.649 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 150.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R1223 | R1223-G1225 PolarHBondContact O-N 2.94Š|
| 1226 | P | 31.8 | Very low | 46.4 | Very low | 138 Ų | 138 | 111.4 Ų | 111.4 | 90% | 0.896 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 148.6 | 161.1 | -19.8 | 32.8 | 0 | 0 | 0 | 111.2 | ||
| 1227 | S | 29.2 | Very low | 43.9 | Very low | 100 Ų | 100 | 117.2 Ų | 117.2 | 70% | 0.699 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 137.3 | -163.3 | 58.5 | 0 | 0 | 0 | 0 | 116.2 | ||
| 1228 | N | 26.5 | Very low | 41.8 | Very low | 160 Ų | 160 | 115.6 Ų | 115.6 | 86% | 0.856 | 68% | 0.681 | S | S | * | * | trans | 81.6 | 140.5 | 149.5 | -54.4 | -23.7 | 0 | 0 | 0 | 120.2 | ||||
| 1229 | G | 28.6 | Very low | 39.8 | Very low | 64 Ų | 64 | 114.4 Ų | 114.4 | 66% | 0.66 | 69% | 0.689 | S | S | * | * | trans | 99.2 | 95.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1230 | T | 28 | Very low | 38 | Very low | 127 Ų | 127 | 115 Ų | 115 | 78% | 0.779 | 70% | 0.703 | S | S | * | * | cis | 54 | 106.2 | 46.5 | -28.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1231 | L | 29.2 | Very low | 37 | Very low | 157 Ų | 157 | 116.2 Ų | 116.2 | 82% | 0.822 | 71% | 0.713 | S | S | * | * | cis | -136.3 | 157.2 | 43.6 | -64.5 | 145.4 | 0 | 0 | 0 | 110.4 | ||||
| 1232 | A | 30.2 | Very low | 37.3 | Very low | 75 Ų | 75 | 116.8 Ų | 116.8 | 62% | 0.62 | 71% | 0.708 | S | S | * | * | cis | 80.1 | 119.2 | 27.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1233 | L | 28.4 | Very low | 38.4 | Very low | 147 Ų | 147 | 112.1 Ų | 112.1 | 77% | 0.77 | 68% | 0.68 | S | S | * | * | trans | 79.3 | 111.9 | 162.6 | -53.9 | 168.9 | 0 | 0 | 0 | 119.4 | ||||
| 1234 | N | 30.2 | Very low | 40.2 | Very low | 126 Ų | 126 | 108.5 Ų | 108.5 | 67% | 0.674 | 67% | 0.669 | S | S | * | * | 59.6 | 131 | 120.8 | -54.8 | -3 | 0 | 0 | 0 | 121.8 | |||||
| 1235 | N | 29.2 | Very low | 42.3 | Very low | 137 Ų | 137 | 107.4 Ų | 107.4 | 73% | 0.733 | 65% | 0.652 | S | S | * | * | trans | 61.9 | 106.5 | 142 | -58.1 | -7.8 | 0 | 0 | 0 | 119 | ||||
| 1236 | N | 29 | Very low | 45.1 | Very low | 133 Ų | 133 | 107.9 Ų | 107.9 | 71% | 0.711 | 64% | 0.637 | S | S | * | * | S | Bend | trans | 68.8 | 136.6 | 146.4 | -54.1 | -3.6 | 0 | 0 | 0 | 118.2 | S1238 | N1236-S1238 PolarHBondContact O-N 2.78Š|
| 1237 | D | 34.9 | Very low | 47.8 | Very low | 162 Ų | 162 | 101.3 Ų | 101.3 | 87% | 0.866 | 60% | 0.595 | S | S | * | * | S | Bend | trans | 59.8 | -20.6 | 159 | -50.1 | -28.4 | 0 | 0 | 0 | 119.9 | ||
| 1238 | S | 42.2 | Very low | 50.7 | Low | 95 Ų | 95 | 98.4 Ų | 98.4 | 66% | 0.664 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -24 | -174.3 | -163.1 | 0 | 0 | 0 | 0 | 115.5 | N1236 A1240 V1241 | N1236-S1238 PolarHBondContact O-N 2.78Å; S1238-A1240 PolarHBondContact O-N 3.17Å; S1238-A1240 VanDerWaalsContact O-N 3.15Å; S1238-V1241 PolarHBondContact O-N 3.4Å |
| 1239 | A | 40.9 | Very low | 53.6 | Low | 82 Ų | 82 | 94.3 Ų | 94.3 | 68% | 0.678 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.1 | -17.6 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | V1241 | A1239-V1241 VanDerWaalsContact C-N 3.25Å; A1239-V1241 PolarHBondContact O-N 3.27Å |
| 1240 | A | 43.6 | Very low | 56.5 | Low | 61 Ų | 61 | 91.8 Ų | 91.8 | 50% | 0.504 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -71.6 | -15.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | S1238 W1243 H1244 | S1238-A1240 PolarHBondContact O-N 3.17Å; S1238-A1240 VanDerWaalsContact O-N 3.15Å; A1240-W1243 PolarHBondContact O-NE1 3.15Å; A1240-H1244 PolarHBondContact O-ND1 3.1Å |
| 1241 | V | 55 | Low | 59.4 | Low | 102 Ų | 102 | 86.3 Ų | 86.3 | 62% | 0.618 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -91.1 | -33.8 | -173 | -176 | 0 | 0 | 0 | 0 | 112.4 | S1238 A1239 H1244 Q1245 | S1238-V1241 PolarHBondContact O-N 3.4Å; A1239-V1241 VanDerWaalsContact C-N 3.25Å; A1239-V1241 PolarHBondContact O-N 3.27Å; V1241-H1244 WeakPolarHBondContact O-CB 3.34Å; V1241-H1244 PolarHBondContact O-N 3.4Å; V1241-Q1245 PolarHBondContact O-N 3.49Å |
| 1242 | E | 71.4 | Confident | 62.2 | Low | 139 Ų | 139 | 81.2 Ų | 81.2 | 65% | 0.65 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -70.2 | -48 | -167 | -166.3 | 164.8 | -141.5 | 0 | 0 | 112.6 | H1244 Q1245 Q1246 | E1242-H1244 VanDerWaalsContact C-N 3.27Å; E1242-H1244 PolarHBondContact O-N 3.35Å; E1242-Q1245 PolarHBondContact O-N 3Å; E1242-Q1246 WeakPolarHBondContact O-CG 3.5Å; E1242-Q1246 PolarHBondContact O-N 2.91Å; E1242-Q1246 VanDerWaalsContact O-N 3.12Å |
| 1243 | W | 82.9 | Confident | 64.9 | Low | 35 Ų | 35 | 82.1 Ų | 82.1 | 13% | 0.133 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -65.3 | -30.5 | 175 | 72.5 | -97.3 | 0 | 0 | 0 | 112.7 | A1240 Q1245 Q1246 C1247 L1272 P1280 V1320 | A1240-W1243 PolarHBondContact O-NE1 3.15Å; W1243-Q1245 VanDerWaalsContact C-N 3.32Å; W1243-Q1245 PolarHBondContact O-N 3.44Å; W1243-Q1246 PolarHBondContact O-N 3.47Å; W1243-C1247 WeakPolarHBondContact O-CB 3.36Å; W1243-C1247 PolarHBondContact O-N 3.29Å; W1243-C1247 PolarHBondContact O-SG 3.15Å; W1243-C1247 VanDerWaalsContact O-SG 3.37Å; W1243-L1272 HydrophobicContact CZ3-CD1 4.04Å; W1243-P1280 HydrophobicContact CB-CB 4.45Å; W1243-P1280 HydrophobicContact CB-CG 4.36Å; W1243-P1280 HydrophobicContact CD2-CB 4.06Å; W1243-P1280 HydrophobicContact CD2-CG 4.17Å; W1243-P1280 HydrophobicContact CE3-CB 3.67Å; W1243-P1280 HydrophobicContact CE3-CG 4.28Å; W1243-P1280 HydrophobicContact CG-CB 4.44Å; W1243-P1280 HydrophobicContact CG-CG 4.24Å; W1243-P1280 HydrophobicContact CZ3-CB 4.18Å; W1243-V1320 HydrophobicContact CB-CG1 4.25Å |
| 1244 | H | 84.6 | Confident | 67.7 | Low | 45 Ų | 45 | 75.3 Ų | 75.3 | 21% | 0.208 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 175.6 | -101.6 | 97 | 0 | 0 | 0 | 111 | A1240 V1241 E1242 M1248 | A1240-H1244 PolarHBondContact O-ND1 3.1Å; V1241-H1244 WeakPolarHBondContact O-CB 3.34Å; V1241-H1244 PolarHBondContact O-N 3.4Å; E1242-H1244 VanDerWaalsContact C-N 3.27Å; E1242-H1244 PolarHBondContact O-N 3.35Å; H1244-M1248 WeakPolarHBondContact O-CB 3.46Å; H1244-M1248 WeakPolarHBondContact O-CG 3.49Å; H1244-M1248 PolarHBondContact O-N 2.77Å; H1244-M1248 VanDerWaalsContact O-N 3.12Å |
| 1245 | Q | 84.4 | Confident | 70.4 | Confident | 107 Ų | 107 | 75.7 Ų | 75.7 | 50% | 0.5 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -68.5 | -45.5 | 175.7 | -174.2 | 56.5 | 47.4 | 0 | 0 | 111.3 | V1241 E1242 W1243 C1247 M1248 D1249 | V1241-Q1245 PolarHBondContact O-N 3.49Å; E1242-Q1245 PolarHBondContact O-N 3Å; W1243-Q1245 VanDerWaalsContact C-N 3.32Å; W1243-Q1245 PolarHBondContact O-N 3.44Å; Q1245-C1247 VanDerWaalsContact C-N 3.35Å; Q1245-C1247 PolarHBondContact O-N 3.16Å; Q1245-M1248 CarbonylContact O-C 3.54Å; Q1245-M1248 WeakPolarHBondContact O-CA 3.48Å; Q1245-M1248 WeakPolarHBondContact O-CB 3.41Å; Q1245-M1248 PolarHBondContact O-N 2.86Å; Q1245-D1249 PolarHBondContact NE2-OD1 2.84Å; Q1245-D1249 PolarHBondContact NE2-OD2 2.86Å; Q1245-D1249 VanDerWaalsContact O-CG 3.31Å; Q1245-D1249 PolarHBondContact O-N 3.44Å |
| 1246 | Q | 86.9 | Confident | 73.1 | Confident | 74 Ų | 74 | 76.3 Ų | 76.3 | 35% | 0.346 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -57.4 | -44.9 | 177.2 | -65.1 | 169.6 | 6 | 0 | 0 | 112.1 | E1242 W1243 M1248 D1249 I1250 V1320 | E1242-Q1246 WeakPolarHBondContact O-CG 3.5Å; E1242-Q1246 PolarHBondContact O-N 2.91Å; E1242-Q1246 VanDerWaalsContact O-N 3.12Å; W1243-Q1246 PolarHBondContact O-N 3.47Å; Q1246-M1248 VanDerWaalsContact C-N 3.3Å; Q1246-M1248 PolarHBondContact O-N 3.47Å; Q1246-D1249 PolarHBondContact O-N 2.77Å; Q1246-I1250 WeakPolarHBondContact O-CG1 3.47Å; Q1246-I1250 PolarHBondContact O-N 2.78Å; Q1246-V1320 HydrophobicContact CB-CG1 4.34Å; Q1246-V1320 HydrophobicContact CB-CG2 3.81Å |
| 1247 | C | 89.4 | Confident | 75.7 | Confident | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -65.6 | -30.2 | 175.1 | -69.8 | 0 | 0 | 0 | 0 | 113.2 | W1243 Q1245 L1251 L1272 F1283 | W1243-C1247 WeakPolarHBondContact O-CB 3.36Å; W1243-C1247 PolarHBondContact O-N 3.29Å; W1243-C1247 PolarHBondContact O-SG 3.15Å; W1243-C1247 VanDerWaalsContact O-SG 3.37Å; Q1245-C1247 VanDerWaalsContact C-N 3.35Å; Q1245-C1247 PolarHBondContact O-N 3.16Å; C1247-L1251 WeakPolarHBondContact O-CG 3.36Å; C1247-L1251 PolarHBondContact O-N 2.97Å; C1247-L1272 HydrophobicContact CB-CD1 4.21Å; C1247-L1272 HydrophobicContact CB-CD2 3.61Å; C1247-F1283 HydrophobicContact CB-CD1 3.92Å; C1247-F1283 HydrophobicContact CB-CE1 3.67Å; C1247-F1283 HydrophobicContact CB-CE2 4.45Å; C1247-F1283 HydrophobicContact CB-CG 4.4Å; C1247-F1283 HydrophobicContact CB-CZ 3.96Å; C1247-F1283 WeakPolarHBondContact SG-CD1 3.48Å; C1247-F1283 VanDerWaalsContact SG-CE1 3.6Å |
| 1248 | M | 89.1 | Confident | 78 | Confident | 38 Ų | 38 | 67.7 Ų | 67.7 | 19% | 0.187 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -70.7 | -38.4 | 173 | -73.6 | -78.7 | -71.2 | 0 | 0 | 111.9 | H1244 Q1245 Q1246 L1251 A1252 L1272 R1273 | H1244-M1248 WeakPolarHBondContact O-CB 3.46Å; H1244-M1248 WeakPolarHBondContact O-CG 3.49Å; H1244-M1248 PolarHBondContact O-N 2.77Å; H1244-M1248 VanDerWaalsContact O-N 3.12Å; Q1245-M1248 CarbonylContact O-C 3.54Å; Q1245-M1248 WeakPolarHBondContact O-CA 3.48Å; Q1245-M1248 WeakPolarHBondContact O-CB 3.41Å; Q1245-M1248 PolarHBondContact O-N 2.86Å; Q1246-M1248 VanDerWaalsContact C-N 3.3Å; Q1246-M1248 PolarHBondContact O-N 3.47Å; M1248-L1251 PolarHBondContact O-N 3.29Å; M1248-A1252 PolarHBondContact O-N 3.32Å; M1248-L1272 HydrophobicContact CG-CD2 3.68Å; M1248-L1272 HydrophobicContact CG-CG 4.16Å; M1248-L1272 HydrophobicContact SD-CB 4.45Å; M1248-L1272 HydrophobicContact SD-CD2 3.79Å; M1248-L1272 HydrophobicContact SD-CG 4.1Å; M1248-R1273 HydrophobicContact CE-CG 3.57Å; M1248-R1273 HydrophobicContact SD-CG 3.8Å |
| 1249 | D | 88.3 | Confident | 79.8 | Confident | 74 Ų | 74 | 67.5 Ų | 67.5 | 40% | 0.396 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -69.2 | -36.4 | 176.6 | -62.5 | -31.3 | 0 | 0 | 0 | 111.5 | Q1245 Q1246 L1251 A1252 N1253 | Q1245-D1249 PolarHBondContact NE2-OD1 2.84Å; Q1245-D1249 PolarHBondContact NE2-OD2 2.86Å; Q1245-D1249 VanDerWaalsContact O-CG 3.31Å; Q1245-D1249 PolarHBondContact O-N 3.44Å; Q1246-D1249 PolarHBondContact O-N 2.77Å; D1249-L1251 VanDerWaalsContact C-N 3.33Å; D1249-L1251 PolarHBondContact O-N 2.59Å; D1249-A1252 WeakPolarHBondContact O-CB 3.4Å; D1249-A1252 PolarHBondContact O-N 3.38Å; D1249-N1253 VanDerWaalsContact O-CG 3.27Å; D1249-N1253 PolarHBondContact O-N 2.97Å; D1249-N1253 PolarHBondContact O-ND2 3.02Å |
| 1250 | I | 88 | Confident | 81.8 | Confident | 11 Ų | 11 | 70.3 Ų | 70.3 | 6% | 0.056 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -57.8 | -45 | 169 | -68.5 | 172.7 | 0 | 0 | 0 | 111 | Q1246 A1252 N1253 L1254 F1313 A1316 I1317 V1320 | Q1246-I1250 WeakPolarHBondContact O-CG1 3.47Å; Q1246-I1250 PolarHBondContact O-N 2.78Å; I1250-A1252 VanDerWaalsContact C-N 3.34Å; I1250-N1253 PolarHBondContact O-N 2.75Å; I1250-L1254 HydrophobicContact CG2-CD1 4.01Å; I1250-L1254 WeakPolarHBondContact O-CB 3.31Å; I1250-L1254 VanDerWaalsContact O-CG 3.31Å; I1250-L1254 WeakPolarHBondContact O-CG 3.41Å; I1250-L1254 PolarHBondContact O-N 2.75Å; I1250-F1313 HydrophobicContact CG2-CD2 3.98Å; I1250-F1313 HydrophobicContact CG2-CE2 4.24Å; I1250-A1316 HydrophobicContact CD1-CB 4.27Å; I1250-A1316 WeakPolarHBondContact CD1-O 3.48Å; I1250-A1316 HydrophobicContact CG1-CB 4.05Å; I1250-A1316 HydrophobicContact CG2-CB 4.18Å; I1250-I1317 HydrophobicContact CD1-CD1 4.12Å; I1250-V1320 HydrophobicContact CD1-CG2 3.72Å |
| 1251 | L | 90.2 | Very high | 83.6 | Confident | 13 Ų | 13 | 67.5 Ų | 67.5 | 7% | 0.068 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.9 | -32 | 176.6 | -70.3 | 176.8 | 0 | 0 | 0 | 112.8 | C1247 M1248 D1249 R1255 L1265 E1269 L1272 F1283 | C1247-L1251 WeakPolarHBondContact O-CG 3.36Å; C1247-L1251 PolarHBondContact O-N 2.97Å; M1248-L1251 PolarHBondContact O-N 3.29Å; D1249-L1251 VanDerWaalsContact C-N 3.33Å; D1249-L1251 PolarHBondContact O-N 2.59Å; L1251-R1255 VanDerWaalsContact O-CB 3.27Å; L1251-R1255 WeakPolarHBondContact O-CB 3.28Å; L1251-R1255 PolarHBondContact O-N 3.32Å; L1251-R1255 VanDerWaalsContact O-N 3.13Å; L1251-L1265 HydrophobicContact CD2-CD1 4.47Å; L1251-E1269 HydrophobicContact CD1-CB 4Å; L1251-E1269 HydrophobicContact CD1-CG 4.08Å; L1251-L1272 HydrophobicContact CD1-CD2 3.93Å; L1251-F1283 HydrophobicContact CD1-CE2 4.08Å; L1251-F1283 HydrophobicContact CD1-CZ 4.37Å; L1251-F1283 HydrophobicContact CD2-CE2 4.46Å; L1251-F1283 HydrophobicContact CD2-CZ 4.31Å; L1251-F1283 HydrophobicContact CG-CE2 4.31Å; L1251-F1283 HydrophobicContact CG-CZ 4.12Å |
| 1252 | A | 87.6 | Confident | 84.7 | Confident | 49 Ų | 49 | 64.8 Ų | 64.8 | 41% | 0.405 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67.3 | -46.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | M1248 D1249 I1250 R1255 Q1256 | M1248-A1252 PolarHBondContact O-N 3.32Å; D1249-A1252 WeakPolarHBondContact O-CB 3.4Å; D1249-A1252 PolarHBondContact O-N 3.38Å; I1250-A1252 VanDerWaalsContact C-N 3.34Å; A1252-R1255 WeakPolarHBondContact O-CB 3.09Å; A1252-R1255 PolarHBondContact O-N 2.92Å; A1252-Q1256 PolarHBondContact O-N 3.3Å |
| 1253 | N | 86.9 | Confident | 85.2 | Confident | 94 Ų | 94 | 65.2 Ų | 65.2 | 50% | 0.503 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.9 | -47.2 | 177.4 | -67.3 | -23.8 | 0 | 0 | 0 | 111.5 | D1249 I1250 R1255 Q1256 D1257 | D1249-N1253 VanDerWaalsContact O-CG 3.27Å; D1249-N1253 PolarHBondContact O-N 2.97Å; D1249-N1253 PolarHBondContact O-ND2 3.02Å; I1250-N1253 PolarHBondContact O-N 2.75Å; N1253-R1255 PolarHBondContact O-N 2.97Å; N1253-Q1256 PolarHBondContact O-N 2.8Å; N1253-D1257 PolarHBondContact O-N 3.41Å |
| 1254 | L | 88 | Confident | 85.2 | Confident | 4 Ų | 4 | 66.2 Ų | 66.2 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -56.4 | -33.7 | 173.6 | -77.1 | 172.2 | 0 | 0 | 0 | 112.9 | I1250 V1258 C1261 L1265 M1287 V1309 Q1312 F1313 | I1250-L1254 HydrophobicContact CG2-CD1 4.01Å; I1250-L1254 WeakPolarHBondContact O-CB 3.31Å; I1250-L1254 VanDerWaalsContact O-CG 3.31Å; I1250-L1254 WeakPolarHBondContact O-CG 3.41Å; I1250-L1254 PolarHBondContact O-N 2.75Å; L1254-V1258 CarbonylContact O-C 3.58Å; L1254-V1258 WeakPolarHBondContact O-CA 3.41Å; L1254-V1258 WeakPolarHBondContact O-CB 3.32Å; L1254-V1258 PolarHBondContact O-N 3.12Å; L1254-C1261 PolarHBondContact O-SG 2.92Å; L1254-C1261 VanDerWaalsContact O-SG 3.35Å; L1254-L1265 HydrophobicContact CD1-CD1 4.44Å; L1254-M1287 HydrophobicContact CD1-CE 3.87Å; L1254-V1309 HydrophobicContact CD1-CG1 4.41Å; L1254-V1309 HydrophobicContact CD2-CG1 4.19Å; L1254-Q1312 HydrophobicContact CD2-CB 3.61Å; L1254-F1313 HydrophobicContact CD1-CB 4.38Å; L1254-F1313 HydrophobicContact CD1-CD2 4.11Å |
| 1255 | R | 85.7 | Confident | 85.3 | Confident | 134 Ų | 134 | 64.3 Ų | 64.3 | 51% | 0.506 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -75.3 | -31.8 | 176.7 | 168.6 | 173.4 | -174.1 | 159.7 | 0.4 | 113.1 | L1251 A1252 N1253 P1259 T1262 E1269 | L1251-R1255 VanDerWaalsContact O-CB 3.27Å; L1251-R1255 WeakPolarHBondContact O-CB 3.28Å; L1251-R1255 PolarHBondContact O-N 3.32Å; L1251-R1255 VanDerWaalsContact O-N 3.13Å; A1252-R1255 WeakPolarHBondContact O-CB 3.09Å; A1252-R1255 PolarHBondContact O-N 2.92Å; N1253-R1255 PolarHBondContact O-N 2.97Å; R1255-P1259 WeakPolarHBondContact O-CA 3.13Å; R1255-T1262 HydrophobicContact CB-CG2 4.17Å; R1255-T1262 HydrophobicContact CG-CG2 3.56Å; R1255-E1269 IonicContact NH1-OE2 3.92Å |
| 1256 | Q | 85.4 | Confident | 85.3 | Confident | 151 Ų | 151 | 60 Ų | 60 | 71% | 0.706 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -72.7 | -46.8 | 175.8 | -179.1 | 166.9 | -45.1 | 0 | 0 | 110.9 | A1252 N1253 | A1252-Q1256 PolarHBondContact O-N 3.3Å; N1253-Q1256 PolarHBondContact O-N 2.8Å |
| 1257 | D | 83.4 | Confident | 85.3 | Confident | 94 Ų | 94 | 61.6 Ų | 61.6 | 50% | 0.503 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -83.6 | -29.9 | -173.9 | -68.8 | -7.8 | 0 | 0 | 0 | 113.3 | N1253 P1259 Q1312 | N1253-D1257 PolarHBondContact O-N 3.41Å; D1257-P1259 WeakPolarHBondContact O-CD 3.48Å; D1257-Q1312 VanDerWaalsContact CB-NE2 3.33Å; D1257-Q1312 PolarHBondContact OD2-NE2 3.31Å |
| 1258 | V | 85.1 | Confident | 85.2 | Confident | 19 Ų | 19 | 61.6 Ų | 61.6 | 12% | 0.115 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -122.8 | 75.8 | 175 | -167.4 | 0 | 0 | 0 | 0 | 110 | L1254 R1260 C1261 I1305 A1308 V1309 | L1254-V1258 CarbonylContact O-C 3.58Å; L1254-V1258 WeakPolarHBondContact O-CA 3.41Å; L1254-V1258 WeakPolarHBondContact O-CB 3.32Å; L1254-V1258 PolarHBondContact O-N 3.12Å; V1258-R1260 PolarHBondContact O-N 2.99Å; V1258-C1261 HydrophobicContact CB-CB 4.2Å; V1258-C1261 HydrophobicContact CG1-CB 4.15Å; V1258-C1261 WeakPolarHBondContact O-CB 3.42Å; V1258-C1261 PolarHBondContact O-N 2.96Å; V1258-C1261 PolarHBondContact O-SG 2.94Å; V1258-I1305 HydrophobicContact CG1-CG2 3.97Å; V1258-A1308 HydrophobicContact CG1-CB 4.42Å; V1258-A1308 HydrophobicContact CG2-CB 4.03Å; V1258-V1309 HydrophobicContact CB-CG2 4.38Å; V1258-V1309 HydrophobicContact CG1-CG2 4.17Å; V1258-V1309 HydrophobicContact CG2-CG2 4.46Å |
| 1259 | P | 79.6 | Confident | 85.1 | Confident | 91 Ų | 91 | 61.7 Ų | 61.7 | 59% | 0.591 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -52 | -29.4 | -171 | -31.4 | 36.2 | 0 | 0 | 0 | 116.2 | R1255 D1257 T1262 | R1255-P1259 WeakPolarHBondContact O-CA 3.13Å; D1257-P1259 WeakPolarHBondContact O-CD 3.48Å; P1259-T1262 PolarHBondContact O-OG1 2.76Å; P1259-T1262 VanDerWaalsContact O-OG1 3.12Å |
| 1260 | R | 81.8 | Confident | 85.1 | Confident | 141 Ų | 141 | 65.7 Ų | 65.7 | 53% | 0.532 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -83.9 | -0.9 | 177.6 | -78.5 | -177.6 | 159.9 | 174.3 | -5.4 | 115.1 | V1258 T1262 Y1264 I1305 | V1258-R1260 PolarHBondContact O-N 2.99Å; R1260-T1262 PolarHBondContact O-N 2.56Å; R1260-Y1264 VanDerWaalsContact O-CD2 3.3Å; R1260-Y1264 WeakPolarHBondContact O-CD2 3.5Å; R1260-Y1264 WeakPolarHBondContact O-CE2 3.41Å; R1260-I1305 HydrophobicContact CB-CD1 3.8Å |
| 1261 | C | 82 | Confident | 85.2 | Confident | 3 Ų | 3 | 67.2 Ų | 67.2 | 2% | 0.02 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -68.5 | -25.5 | 176.3 | 77.8 | 0 | 0 | 0 | 0 | 112.3 | L1254 V1258 E1263 Y1264 L1265 I1305 V1309 | L1254-C1261 PolarHBondContact O-SG 2.92Å; L1254-C1261 VanDerWaalsContact O-SG 3.35Å; V1258-C1261 HydrophobicContact CB-CB 4.2Å; V1258-C1261 HydrophobicContact CG1-CB 4.15Å; V1258-C1261 WeakPolarHBondContact O-CB 3.42Å; V1258-C1261 PolarHBondContact O-N 2.96Å; V1258-C1261 PolarHBondContact O-SG 2.94Å; C1261-E1263 VanDerWaalsContact C-N 3.32Å; C1261-E1263 PolarHBondContact O-N 3.4Å; C1261-Y1264 PolarHBondContact O-N 3.21Å; C1261-L1265 HydrophobicContact CB-CD1 3.98Å; C1261-L1265 HydrophobicContact CB-CG 4.31Å; C1261-L1265 WeakPolarHBondContact O-CG 3.24Å; C1261-L1265 PolarHBondContact O-N 3.26Å; C1261-I1305 HydrophobicContact CB-CG2 4.49Å; C1261-V1309 HydrophobicContact CB-CG2 3.72Å |
| 1262 | T | 78.6 | Confident | 85.1 | Confident | 45 Ų | 45 | 66.8 Ų | 66.8 | 28% | 0.276 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -55.6 | -40.4 | -174.9 | 46.6 | 0 | 0 | 0 | 0 | 113.6 | R1255 P1259 R1260 Y1264 G1266 | R1255-T1262 HydrophobicContact CB-CG2 4.17Å; R1255-T1262 HydrophobicContact CG-CG2 3.56Å; P1259-T1262 PolarHBondContact O-OG1 2.76Å; P1259-T1262 VanDerWaalsContact O-OG1 3.12Å; R1260-T1262 PolarHBondContact O-N 2.56Å; T1262-Y1264 PolarHBondContact O-N 3.15Å; T1262-G1266 WeakPolarHBondContact O-CA 3.46Å; T1262-G1266 PolarHBondContact O-N 3.3Å |
| 1263 | E | 81.1 | Confident | 85 | Confident | 148 Ų | 148 | 71.8 Ų | 71.8 | 69% | 0.692 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.5 | -29.6 | 176.7 | -65.7 | 179.6 | -178.2 | 0 | 0 | 112.9 | C1261 | C1261-E1263 VanDerWaalsContact C-N 3.32Å; C1261-E1263 PolarHBondContact O-N 3.4Å |
| 1264 | Y | 83.2 | Confident | 85 | Confident | 55 Ų | 55 | 72.4 Ų | 72.4 | 22% | 0.216 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -98.4 | -31.5 | -175.2 | -54.2 | -79.9 | 0 | 0 | 0 | 113.2 | R1260 C1261 T1262 R1290 M1294 V1302 I1305 | R1260-Y1264 VanDerWaalsContact O-CD2 3.3Å; R1260-Y1264 WeakPolarHBondContact O-CD2 3.5Å; R1260-Y1264 WeakPolarHBondContact O-CE2 3.41Å; C1261-Y1264 PolarHBondContact O-N 3.21Å; T1262-Y1264 PolarHBondContact O-N 3.15Å; Y1264-R1290 PolarHBondContact O-NE 3.24Å; Y1264-M1294 HydrophobicContact CD1-CE 4.37Å; Y1264-M1294 HydrophobicContact CD2-CE 3.87Å; Y1264-M1294 HydrophobicContact CG-CE 3.69Å; Y1264-M1294 HydrophobicContact CG-SD 4.19Å; Y1264-V1302 HydrophobicContact CE1-CG1 4.27Å; Y1264-V1302 HydrophobicContact CE1-CG2 3.76Å; Y1264-V1302 WeakPolarHBondContact OH-CG2 3.46Å; Y1264-I1305 HydrophobicContact CD2-CG2 4.47Å; Y1264-I1305 HydrophobicContact CE2-CD1 3.92Å |
| 1265 | L | 86.3 | Confident | 84.6 | Confident | 6 Ų | 6 | 74.7 Ų | 74.7 | 3% | 0.031 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -99.5 | -15.8 | -176.3 | -57.2 | -171.6 | 0 | 0 | 0 | 114.2 | L1251 L1254 C1261 Y1267 I1268 E1269 M1287 R1290 M1294 V1309 | L1251-L1265 HydrophobicContact CD2-CD1 4.47Å; L1254-L1265 HydrophobicContact CD1-CD1 4.44Å; C1261-L1265 HydrophobicContact CB-CD1 3.98Å; C1261-L1265 HydrophobicContact CB-CG 4.31Å; C1261-L1265 WeakPolarHBondContact O-CG 3.24Å; C1261-L1265 PolarHBondContact O-N 3.26Å; L1265-Y1267 PolarHBondContact O-N 2.99Å; L1265-I1268 WeakPolarHBondContact O-CA 3.46Å; L1265-I1268 WeakPolarHBondContact O-CB 3.44Å; L1265-I1268 PolarHBondContact O-N 3.12Å; L1265-E1269 PolarHBondContact O-N 3.07Å; L1265-E1269 VanDerWaalsContact O-N 3.16Å; L1265-M1287 HydrophobicContact CD1-CE 4.03Å; L1265-M1287 HydrophobicContact CD1-SD 4.31Å; L1265-M1287 HydrophobicContact CD2-CE 4.32Å; L1265-M1287 HydrophobicContact CD2-SD 3.78Å; L1265-R1290 HydrophobicContact CD2-CG 4.21Å; L1265-M1294 HydrophobicContact CD2-SD 4.46Å; L1265-V1309 HydrophobicContact CD1-CG1 4.06Å |
| 1266 | G | 84 | Confident | 84.4 | Confident | 17 Ų | 17 | 76.5 Ų | 76.5 | 18% | 0.175 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 5.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | T1262 R1270 | T1262-G1266 WeakPolarHBondContact O-CA 3.46Å; T1262-G1266 PolarHBondContact O-N 3.3Å; G1266-R1270 PolarHBondContact O-NE 2.88Å; G1266-R1270 PolarHBondContact O-NH2 3.01Å |
| 1267 | Y | 86.8 | Confident | 84.4 | Confident | 106 Ų | 106 | 69.9 Ų | 69.9 | 42% | 0.416 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -44.6 | 161.3 | 174.1 | -98 | 0 | 0 | 0 | 111.6 | L1265 R1270 K1271 | L1265-Y1267 PolarHBondContact O-N 2.99Å; Y1267-R1270 PolarHBondContact O-N 2.78Å; Y1267-K1271 HydrophobicContact CE1-CD 3.88Å; Y1267-K1271 HydrophobicContact CE1-CG 4.22Å; Y1267-K1271 PolarHBondContact O-N 3.11Å |
| 1268 | I | 88.4 | Confident | 84.3 | Confident | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.4 | -43.5 | 179.3 | -67.8 | 176.7 | 0 | 0 | 0 | 110.1 | L1265 R1270 K1271 L1272 Y1277 F1283 E1286 M1287 R1290 | L1265-I1268 WeakPolarHBondContact O-CA 3.46Å; L1265-I1268 WeakPolarHBondContact O-CB 3.44Å; L1265-I1268 PolarHBondContact O-N 3.12Å; I1268-R1270 PolarHBondContact O-N 2.9Å; I1268-K1271 WeakPolarHBondContact O-CA 3.2Å; I1268-K1271 WeakPolarHBondContact O-CB 3.49Å; I1268-K1271 PolarHBondContact O-N 2.83Å; I1268-L1272 PolarHBondContact O-N 3.17Å; I1268-Y1277 HydrophobicContact CG2-CE2 4.37Å; I1268-F1283 HydrophobicContact CG2-CD2 3.92Å; I1268-F1283 HydrophobicContact CG2-CE2 3.59Å; I1268-E1286 HydrophobicContact CD1-CG 4.5Å; I1268-M1287 HydrophobicContact CD1-CG 4Å; I1268-M1287 HydrophobicContact CD1-SD 3.63Å; I1268-M1287 HydrophobicContact CG2-CG 4.15Å; I1268-M1287 HydrophobicContact CG2-SD 4.28Å; I1268-R1290 HydrophobicContact CD1-CB 3.85Å; I1268-R1290 HydrophobicContact CD1-CG 3.95Å |
| 1269 | E | 87.5 | Confident | 84.2 | Confident | 40 Ų | 40 | 76.6 Ų | 76.6 | 19% | 0.187 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -56.2 | -39.8 | 173.9 | -163 | -163 | 147 | 0 | 0 | 111.6 | L1251 R1255 L1265 R1273 | L1251-E1269 HydrophobicContact CD1-CB 4Å; L1251-E1269 HydrophobicContact CD1-CG 4.08Å; R1255-E1269 IonicContact NH1-OE2 3.92Å; L1265-E1269 PolarHBondContact O-N 3.07Å; L1265-E1269 VanDerWaalsContact O-N 3.16Å; E1269-R1273 WeakPolarHBondContact O-CB 3.25Å; E1269-R1273 VanDerWaalsContact O-CG 3.27Å; E1269-R1273 WeakPolarHBondContact O-CG 3.42Å; E1269-R1273 PolarHBondContact O-N 3.08Å; E1269-R1273 IonicContact OE1-CZ 3.21Å; E1269-R1273 IonicContact OE1-NE 2.82Å; E1269-R1273 PolarHBondContact OE1-NE 2.96Å; E1269-R1273 IonicContact OE1-NH2 2.73Å; E1269-R1273 PolarHBondContact OE1-NH2 3.4Å |
| 1270 | R | 87.5 | Confident | 84.5 | Confident | 158 Ų | 158 | 73.6 Ų | 73.6 | 60% | 0.596 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -74.4 | -27.9 | 174.4 | -86.9 | -179.3 | -69 | 170.6 | -4.1 | 113.8 | G1266 Y1267 I1268 N1274 | G1266-R1270 PolarHBondContact O-NE 2.88Å; G1266-R1270 PolarHBondContact O-NH2 3.01Å; Y1267-R1270 PolarHBondContact O-N 2.78Å; I1268-R1270 PolarHBondContact O-N 2.9Å; R1270-N1274 WeakPolarHBondContact O-CB 3.5Å; R1270-N1274 PolarHBondContact O-N 3.03Å; R1270-N1274 PolarHBondContact O-ND2 2.77Å |
| 1271 | K | 89.2 | Confident | 84.6 | Confident | 44 Ų | 44 | 70 Ų | 70 | 19% | 0.191 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.8 | -45.2 | 172 | -111.4 | -167.2 | 168 | 178.9 | 0 | 110.5 | Y1267 I1268 N1274 G1275 R1276 Y1277 E1286 | Y1267-K1271 HydrophobicContact CE1-CD 3.88Å; Y1267-K1271 HydrophobicContact CE1-CG 4.22Å; Y1267-K1271 PolarHBondContact O-N 3.11Å; I1268-K1271 WeakPolarHBondContact O-CA 3.2Å; I1268-K1271 WeakPolarHBondContact O-CB 3.49Å; I1268-K1271 PolarHBondContact O-N 2.83Å; K1271-N1274 CarbonylContact O-C 3.58Å; K1271-N1274 PolarHBondContact O-N 2.81Å; K1271-G1275 PolarHBondContact O-N 2.82Å; K1271-R1276 HydrophobicContact CB-CB 4.43Å; K1271-R1276 HydrophobicContact CG-CB 4.02Å; K1271-R1276 WeakPolarHBondContact O-CB 3.33Å; K1271-R1276 PolarHBondContact O-N 3.39Å; K1271-Y1277 HydrophobicContact CB-CD2 4.43Å; K1271-Y1277 HydrophobicContact CB-CE2 3.63Å; K1271-Y1277 HydrophobicContact CD-CE1 4.14Å; K1271-Y1277 HydrophobicContact CD-CE2 4.26Å; K1271-Y1277 WeakPolarHBondContact CD-OH 3.26Å; K1271-E1286 VanDerWaalsContact CD-OE2 3.25Å; K1271-E1286 WeakPolarHBondContact CD-OE2 3.37Å; K1271-E1286 IonicContact NZ-OE1 3.69Å; K1271-E1286 PolarHBondContact NZ-OE1 3.1Å; K1271-E1286 IonicContact NZ-OE2 2.65Å; K1271-E1286 PolarHBondContact NZ-OE2 3.01Å |
| 1272 | L | 88.9 | Confident | 84.9 | Confident | 3 Ų | 3 | 71.1 Ų | 71.1 | 2% | 0.016 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.9 | -49.8 | 179.6 | -169.8 | 66 | 0 | 0 | 0 | 111.7 | W1243 C1247 M1248 L1251 I1268 N1274 G1275 Y1277 F1283 | W1243-L1272 HydrophobicContact CZ3-CD1 4.04Å; C1247-L1272 HydrophobicContact CB-CD1 4.21Å; C1247-L1272 HydrophobicContact CB-CD2 3.61Å; M1248-L1272 HydrophobicContact CG-CD2 3.68Å; M1248-L1272 HydrophobicContact CG-CG 4.16Å; M1248-L1272 HydrophobicContact SD-CB 4.45Å; M1248-L1272 HydrophobicContact SD-CD2 3.79Å; M1248-L1272 HydrophobicContact SD-CG 4.1Å; L1251-L1272 HydrophobicContact CD1-CD2 3.93Å; I1268-L1272 PolarHBondContact O-N 3.17Å; L1272-N1274 PolarHBondContact O-N 3.46Å; L1272-G1275 PolarHBondContact O-N 2.82Å; L1272-Y1277 HydrophobicContact CB-CD2 4.1Å; L1272-Y1277 HydrophobicContact CB-CE2 4.11Å; L1272-Y1277 HydrophobicContact CD1-CD2 3.77Å; L1272-Y1277 HydrophobicContact CD1-CE2 4.46Å; L1272-F1283 HydrophobicContact CD1-CD2 4.31Å; L1272-F1283 HydrophobicContact CD2-CD2 4.31Å; L1272-F1283 HydrophobicContact CD2-CE2 3.98Å; L1272-F1283 HydrophobicContact CD2-CZ 4.48Å |
| 1273 | R | 86 | Confident | 85.5 | Confident | 155 Ų | 155 | 69 Ų | 69 | 59% | 0.585 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -56.9 | -23.5 | 172.7 | -74.4 | 179.2 | -173.9 | -84.2 | 1 | 114.3 | M1248 E1269 | M1248-R1273 HydrophobicContact CE-CG 3.57Å; M1248-R1273 HydrophobicContact SD-CG 3.8Å; E1269-R1273 WeakPolarHBondContact O-CB 3.25Å; E1269-R1273 VanDerWaalsContact O-CG 3.27Å; E1269-R1273 WeakPolarHBondContact O-CG 3.42Å; E1269-R1273 PolarHBondContact O-N 3.08Å; E1269-R1273 IonicContact OE1-CZ 3.21Å; E1269-R1273 IonicContact OE1-NE 2.82Å; E1269-R1273 PolarHBondContact OE1-NE 2.96Å; E1269-R1273 IonicContact OE1-NH2 2.73Å; E1269-R1273 PolarHBondContact OE1-NH2 3.4Å |
| 1274 | N | 85.9 | Confident | 86 | Confident | 106 Ų | 106 | 61.9 Ų | 61.9 | 57% | 0.567 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | 13.4 | 179.1 | -69 | -25.6 | 0 | 0 | 0 | 113.3 | R1270 K1271 L1272 R1276 | R1270-N1274 WeakPolarHBondContact O-CB 3.5Å; R1270-N1274 PolarHBondContact O-N 3.03Å; R1270-N1274 PolarHBondContact O-ND2 2.77Å; K1271-N1274 CarbonylContact O-C 3.58Å; K1271-N1274 PolarHBondContact O-N 2.81Å; L1272-N1274 PolarHBondContact O-N 3.46Å; N1274-R1276 VanDerWaalsContact C-N 3.3Å; N1274-R1276 HydrophobicContact CB-CG 4.21Å; N1274-R1276 PolarHBondContact O-N 2.83Å |
| 1275 | G | 79.5 | Confident | 86.2 | Confident | 52 Ų | 52 | 65.1 Ų | 65.1 | 54% | 0.536 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 32.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | K1271 L1272 | K1271-G1275 PolarHBondContact O-N 2.82Å; L1272-G1275 PolarHBondContact O-N 2.82Å |
| 1276 | R | 82.7 | Confident | 86.4 | Confident | 172 Ų | 172 | 67.1 Ų | 67.1 | 65% | 0.649 | 31% | 0.314 | S | S | * | . | trans | -96.7 | 23.3 | -176.4 | -62.4 | -166.1 | 179.2 | -158.4 | 0.9 | 114.5 | K1271 N1274 | K1271-R1276 HydrophobicContact CB-CB 4.43Å; K1271-R1276 HydrophobicContact CG-CB 4.02Å; K1271-R1276 WeakPolarHBondContact O-CB 3.33Å; K1271-R1276 PolarHBondContact O-N 3.39Å; N1274-R1276 VanDerWaalsContact C-N 3.3Å; N1274-R1276 HydrophobicContact CB-CG 4.21Å; N1274-R1276 PolarHBondContact O-N 2.83Å | ||
| 1277 | Y | 85.6 | Confident | 86.8 | Confident | 13 Ų | 13 | 66.3 Ų | 66.3 | 5% | 0.051 | 31% | 0.306 | C | S | . | . | trans | -123.3 | 128.3 | 170.8 | -69.6 | -65.3 | 0 | 0 | 0 | 108.2 | I1268 K1271 L1272 A1282 F1283 E1286 | I1268-Y1277 HydrophobicContact CG2-CE2 4.37Å; K1271-Y1277 HydrophobicContact CB-CD2 4.43Å; K1271-Y1277 HydrophobicContact CB-CE2 3.63Å; K1271-Y1277 HydrophobicContact CD-CE1 4.14Å; K1271-Y1277 HydrophobicContact CD-CE2 4.26Å; K1271-Y1277 WeakPolarHBondContact CD-OH 3.26Å; L1272-Y1277 HydrophobicContact CB-CD2 4.1Å; L1272-Y1277 HydrophobicContact CB-CE2 4.11Å; L1272-Y1277 HydrophobicContact CD1-CD2 3.77Å; L1272-Y1277 HydrophobicContact CD1-CE2 4.46Å; Y1277-A1282 HydrophobicContact CD1-CB 4.04Å; Y1277-F1283 HydrophobicContact CD1-CB 4.07Å; Y1277-F1283 HydrophobicContact CD2-CB 4.05Å; Y1277-F1283 HydrophobicContact CD2-CD2 4.14Å; Y1277-F1283 HydrophobicContact CE1-CB 4.33Å; Y1277-F1283 HydrophobicContact CE2-CB 4.3Å; Y1277-F1283 AromaticContact CE2-CD2 3.8Å; Y1277-F1283 HydrophobicContact CE2-CD2 3.8Å; Y1277-F1283 HydrophobicContact CG-CB 3.93Å; Y1277-E1286 HydrophobicContact CE1-CB 4.18Å; Y1277-E1286 WeakPolarHBondContact CE1-OE2 3.21Å; Y1277-E1286 VanDerWaalsContact CZ-OE2 3.23Å; Y1277-E1286 PolarHBondContact OH-OE2 3.49Å | ||
| 1278 | E | 80.4 | Confident | 86.9 | Confident | 193 Ų | 193 | 63.1 Ų | 63.1 | 90% | 0.902 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -79.6 | -39 | -177.9 | -66.7 | 165.7 | -176 | 0 | 0 | 111.1 | ||
| 1279 | D | 83.7 | Confident | 87 | Confident | 61 Ų | 61 | 69.2 Ų | 69.2 | 33% | 0.326 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -135.5 | 159.2 | 176.1 | 62.8 | 17 | 0 | 0 | 0 | 110.8 | M1281 A1282 F1283 R1285 | D1279-M1281 PolarHBondContact O-N 3.42Å; D1279-M1281 WeakPolarHBondContact OD1-CB 3.09Å; D1279-M1281 PolarHBondContact OD1-N 2.89Å; D1279-A1282 PolarHBondContact O-N 2.84Å; D1279-A1282 VanDerWaalsContact O-N 3.09Å; D1279-A1282 WeakPolarHBondContact OD1-CA 3.37Å; D1279-A1282 WeakPolarHBondContact OD1-CB 3.12Å; D1279-A1282 PolarHBondContact OD1-N 2.85Å; D1279-F1283 PolarHBondContact O-N 3.22Å; D1279-R1285 IonicContact OD1-NH2 2.66Å; D1279-R1285 PolarHBondContact OD1-NH2 2.93Å; D1279-R1285 IonicContact OD2-NH2 2.63Å; D1279-R1285 PolarHBondContact OD2-NH2 2.53Å |
| 1280 | P | 85.5 | Confident | 87.1 | Confident | 27 Ų | 27 | 71.9 Ų | 71.9 | 18% | 0.175 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.2 | -22.3 | 173.9 | 24 | -33.1 | 0 | 0 | 0 | 112.2 | W1243 A1282 F1283 A1284 V1320 V1321 | W1243-P1280 HydrophobicContact CB-CB 4.45Å; W1243-P1280 HydrophobicContact CB-CG 4.36Å; W1243-P1280 HydrophobicContact CD2-CB 4.06Å; W1243-P1280 HydrophobicContact CD2-CG 4.17Å; W1243-P1280 HydrophobicContact CE3-CB 3.67Å; W1243-P1280 HydrophobicContact CE3-CG 4.28Å; W1243-P1280 HydrophobicContact CG-CB 4.44Å; W1243-P1280 HydrophobicContact CG-CG 4.24Å; W1243-P1280 HydrophobicContact CZ3-CB 4.18Å; P1280-A1282 PolarHBondContact O-N 3.15Å; P1280-F1283 WeakPolarHBondContact O-CB 3.04Å; P1280-F1283 PolarHBondContact O-N 2.82Å; P1280-A1284 WeakPolarHBondContact O-CB 3.42Å; P1280-A1284 PolarHBondContact O-N 2.78Å; P1280-V1320 HydrophobicContact CB-CG1 4.04Å; P1280-V1321 HydrophobicContact CB-CG2 4.04Å |
| 1281 | M | 84.8 | Confident | 87.3 | Confident | 66 Ų | 66 | 64.4 Ų | 64.4 | 33% | 0.325 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64 | -34 | 171.8 | -100.5 | -78.8 | -99.9 | 0 | 0 | 112.8 | D1279 A1284 R1285 V1321 | D1279-M1281 PolarHBondContact O-N 3.42Å; D1279-M1281 WeakPolarHBondContact OD1-CB 3.09Å; D1279-M1281 PolarHBondContact OD1-N 2.89Å; M1281-A1284 PolarHBondContact O-N 3.23Å; M1281-R1285 VanDerWaalsContact C-NE 3.29Å; M1281-R1285 VanDerWaalsContact O-CB 3.28Å; M1281-R1285 WeakPolarHBondContact O-CB 3.36Å; M1281-R1285 WeakPolarHBondContact O-CG 3.3Å; M1281-R1285 PolarHBondContact O-N 3.25Å; M1281-R1285 PolarHBondContact O-NE 2.9Å; M1281-V1321 HydrophobicContact CG-CG1 3.75Å; M1281-V1321 HydrophobicContact SD-CG1 3.89Å |
| 1282 | A | 86.9 | Confident | 87.1 | Confident | 26 Ų | 26 | 65.6 Ų | 65.6 | 22% | 0.215 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -74.8 | -37.5 | 178 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y1277 D1279 P1280 E1286 | Y1277-A1282 HydrophobicContact CD1-CB 4.04Å; D1279-A1282 PolarHBondContact O-N 2.84Å; D1279-A1282 VanDerWaalsContact O-N 3.09Å; D1279-A1282 WeakPolarHBondContact OD1-CA 3.37Å; D1279-A1282 WeakPolarHBondContact OD1-CB 3.12Å; D1279-A1282 PolarHBondContact OD1-N 2.85Å; P1280-A1282 PolarHBondContact O-N 3.15Å; A1282-E1286 PolarHBondContact O-N 3.14Å |
| 1283 | F | 92.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.7 | -49.6 | 167.1 | 168 | -103.2 | 0 | 0 | 0 | 110.8 | C1247 L1251 I1268 L1272 Y1277 D1279 P1280 E1286 M1287 F1313 I1317 | C1247-F1283 HydrophobicContact CB-CD1 3.92Å; C1247-F1283 HydrophobicContact CB-CE1 3.67Å; C1247-F1283 HydrophobicContact CB-CE2 4.45Å; C1247-F1283 HydrophobicContact CB-CG 4.4Å; C1247-F1283 HydrophobicContact CB-CZ 3.96Å; C1247-F1283 WeakPolarHBondContact SG-CD1 3.48Å; C1247-F1283 VanDerWaalsContact SG-CE1 3.6Å; L1251-F1283 HydrophobicContact CD1-CE2 4.08Å; L1251-F1283 HydrophobicContact CD1-CZ 4.37Å; L1251-F1283 HydrophobicContact CD2-CE2 4.46Å; L1251-F1283 HydrophobicContact CD2-CZ 4.31Å; L1251-F1283 HydrophobicContact CG-CE2 4.31Å; L1251-F1283 HydrophobicContact CG-CZ 4.12Å; I1268-F1283 HydrophobicContact CG2-CD2 3.92Å; I1268-F1283 HydrophobicContact CG2-CE2 3.59Å; L1272-F1283 HydrophobicContact CD1-CD2 4.31Å; L1272-F1283 HydrophobicContact CD2-CD2 4.31Å; L1272-F1283 HydrophobicContact CD2-CE2 3.98Å; L1272-F1283 HydrophobicContact CD2-CZ 4.48Å; Y1277-F1283 HydrophobicContact CD1-CB 4.07Å; Y1277-F1283 HydrophobicContact CD2-CB 4.05Å; Y1277-F1283 HydrophobicContact CD2-CD2 4.14Å; Y1277-F1283 HydrophobicContact CE1-CB 4.33Å; Y1277-F1283 HydrophobicContact CE2-CB 4.3Å; Y1277-F1283 AromaticContact CE2-CD2 3.8Å; Y1277-F1283 HydrophobicContact CE2-CD2 3.8Å; Y1277-F1283 HydrophobicContact CG-CB 3.93Å; D1279-F1283 PolarHBondContact O-N 3.22Å; P1280-F1283 WeakPolarHBondContact O-CB 3.04Å; P1280-F1283 PolarHBondContact O-N 2.82Å; F1283-E1286 PolarHBondContact O-N 2.83Å; F1283-M1287 HydrophobicContact CE2-CG 4.07Å; F1283-M1287 HydrophobicContact CZ-CG 4.08Å; F1283-M1287 WeakPolarHBondContact O-CB 3.39Å; F1283-M1287 PolarHBondContact O-N 2.79Å; F1283-F1313 AromaticContact CE1-CE2 3.91Å; F1283-F1313 HydrophobicContact CE1-CE2 3.91Å; F1283-F1313 HydrophobicContact CE1-CZ 4.33Å; F1283-F1313 HydrophobicContact CZ-CE2 4.3Å; F1283-I1317 HydrophobicContact CD1-CD1 3.97Å; F1283-I1317 HydrophobicContact CE1-CD1 3.88Å |
| 1284 | A | 91 | Very high | 87.3 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.7 | -47 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P1280 M1281 E1286 M1287 T1288 F1313 I1317 V1321 L1324 | P1280-A1284 WeakPolarHBondContact O-CB 3.42Å; P1280-A1284 PolarHBondContact O-N 2.78Å; M1281-A1284 PolarHBondContact O-N 3.23Å; A1284-E1286 PolarHBondContact O-N 2.67Å; A1284-M1287 PolarHBondContact O-N 2.75Å; A1284-T1288 WeakPolarHBondContact O-CB 3.13Å; A1284-T1288 PolarHBondContact O-N 2.75Å; A1284-T1288 PolarHBondContact O-OG1 2.9Å; A1284-T1288 VanDerWaalsContact O-OG1 3.11Å; A1284-F1313 HydrophobicContact CB-CZ 4.42Å; A1284-I1317 HydrophobicContact CB-CD1 4.28Å; A1284-I1317 HydrophobicContact CB-CG1 3.87Å; A1284-V1321 HydrophobicContact CB-CG2 4.27Å; A1284-L1324 HydrophobicContact CB-CD1 4.48Å; A1284-L1324 HydrophobicContact CB-CD2 4.19Å |
| 1285 | R | 87.2 | Confident | 87.4 | Confident | 123 Ų | 123 | 63.4 Ų | 63.4 | 46% | 0.464 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.2 | -42.7 | 177 | -74.9 | 170.9 | -71.5 | -161.1 | 2.5 | 112.1 | D1279 M1281 L1289 | D1279-R1285 IonicContact OD1-NH2 2.66Å; D1279-R1285 PolarHBondContact OD1-NH2 2.93Å; D1279-R1285 IonicContact OD2-NH2 2.63Å; D1279-R1285 PolarHBondContact OD2-NH2 2.53Å; M1281-R1285 VanDerWaalsContact C-NE 3.29Å; M1281-R1285 VanDerWaalsContact O-CB 3.28Å; M1281-R1285 WeakPolarHBondContact O-CB 3.36Å; M1281-R1285 WeakPolarHBondContact O-CG 3.3Å; M1281-R1285 PolarHBondContact O-N 3.25Å; M1281-R1285 PolarHBondContact O-NE 2.9Å; R1285-L1289 WeakPolarHBondContact O-CB 3.41Å; R1285-L1289 PolarHBondContact O-N 3.49Å; R1285-L1289 VanDerWaalsContact O-N 3.14Å |
| 1286 | E | 90 | Very high | 87.6 | Confident | 48 Ų | 48 | 65.2 Ų | 65.2 | 22% | 0.224 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -74.9 | -34.4 | 177.3 | -166.9 | 171.1 | -161.7 | 0 | 0 | 113.1 | I1268 K1271 Y1277 A1282 F1283 A1284 R1290 | I1268-E1286 HydrophobicContact CD1-CG 4.5Å; K1271-E1286 VanDerWaalsContact CD-OE2 3.25Å; K1271-E1286 WeakPolarHBondContact CD-OE2 3.37Å; K1271-E1286 IonicContact NZ-OE1 3.69Å; K1271-E1286 PolarHBondContact NZ-OE1 3.1Å; K1271-E1286 IonicContact NZ-OE2 2.65Å; K1271-E1286 PolarHBondContact NZ-OE2 3.01Å; Y1277-E1286 HydrophobicContact CE1-CB 4.18Å; Y1277-E1286 WeakPolarHBondContact CE1-OE2 3.21Å; Y1277-E1286 VanDerWaalsContact CZ-OE2 3.23Å; Y1277-E1286 PolarHBondContact OH-OE2 3.49Å; A1282-E1286 PolarHBondContact O-N 3.14Å; F1283-E1286 PolarHBondContact O-N 2.83Å; A1284-E1286 PolarHBondContact O-N 2.67Å; E1286-R1290 WeakPolarHBondContact O-CB 3.34Å; E1286-R1290 PolarHBondContact O-N 2.69Å |
| 1287 | M | 92.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.9 | -50.6 | 171.6 | -94.7 | -66.2 | -78.3 | 0 | 0 | 111.7 | L1254 L1265 I1268 F1283 A1284 L1289 R1290 I1291 V1309 F1313 | L1254-M1287 HydrophobicContact CD1-CE 3.87Å; L1265-M1287 HydrophobicContact CD1-CE 4.03Å; L1265-M1287 HydrophobicContact CD1-SD 4.31Å; L1265-M1287 HydrophobicContact CD2-CE 4.32Å; L1265-M1287 HydrophobicContact CD2-SD 3.78Å; I1268-M1287 HydrophobicContact CD1-CG 4Å; I1268-M1287 HydrophobicContact CD1-SD 3.63Å; I1268-M1287 HydrophobicContact CG2-CG 4.15Å; I1268-M1287 HydrophobicContact CG2-SD 4.28Å; F1283-M1287 HydrophobicContact CE2-CG 4.07Å; F1283-M1287 HydrophobicContact CZ-CG 4.08Å; F1283-M1287 WeakPolarHBondContact O-CB 3.39Å; F1283-M1287 PolarHBondContact O-N 2.79Å; A1284-M1287 PolarHBondContact O-N 2.75Å; M1287-L1289 VanDerWaalsContact C-N 3.32Å; M1287-L1289 PolarHBondContact O-N 3.15Å; M1287-R1290 CarbonylContact O-C 3.51Å; M1287-R1290 WeakPolarHBondContact O-CA 3.44Å; M1287-R1290 WeakPolarHBondContact O-CB 3.49Å; M1287-R1290 PolarHBondContact O-N 3.4Å; M1287-I1291 HydrophobicContact CE-CD1 3.91Å; M1287-I1291 HydrophobicContact CE-CG1 4.44Å; M1287-I1291 WeakPolarHBondContact O-CB 3.26Å; M1287-I1291 WeakPolarHBondContact O-CG1 3.34Å; M1287-I1291 PolarHBondContact O-N 2.8Å; M1287-V1309 HydrophobicContact CE-CG1 4.19Å; M1287-F1313 HydrophobicContact CB-CD1 4.36Å; M1287-F1313 HydrophobicContact CB-CE1 3.66Å; M1287-F1313 HydrophobicContact CB-CE2 3.91Å; M1287-F1313 HydrophobicContact CB-CZ 3.41Å; M1287-F1313 VanDerWaalsContact CB-CZ 3.41Å; M1287-F1313 HydrophobicContact CE-CB 4.39Å; M1287-F1313 HydrophobicContact CE-CD1 4.41Å; M1287-F1313 HydrophobicContact CE-CD2 3.48Å; M1287-F1313 VanDerWaalsContact CE-CD2 3.48Å; M1287-F1313 HydrophobicContact CE-CE2 3.8Å; M1287-F1313 HydrophobicContact CE-CG 3.82Å; M1287-F1313 HydrophobicContact CE-CZ 4.4Å; M1287-F1313 HydrophobicContact CG-CE2 3.89Å; M1287-F1313 HydrophobicContact CG-CZ 3.9Å |
| 1288 | T | 90.1 | Very high | 87.4 | Confident | 39 Ų | 39 | 70.5 Ų | 70.5 | 24% | 0.239 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.7 | -40 | 178.7 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | A1284 R1290 I1291 S1292 | A1284-T1288 WeakPolarHBondContact O-CB 3.13Å; A1284-T1288 PolarHBondContact O-N 2.75Å; A1284-T1288 PolarHBondContact O-OG1 2.9Å; A1284-T1288 VanDerWaalsContact O-OG1 3.11Å; T1288-R1290 VanDerWaalsContact C-N 3.34Å; T1288-R1290 PolarHBondContact O-N 2.99Å; T1288-I1291 PolarHBondContact O-N 3.22Å; T1288-S1292 VanDerWaalsContact O-CB 3.25Å; T1288-S1292 WeakPolarHBondContact O-CB 3.47Å; T1288-S1292 PolarHBondContact O-N 2.87Å |
| 1289 | L | 89.3 | Confident | 87.6 | Confident | 127 Ų | 127 | 64.8 Ų | 64.8 | 67% | 0.665 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.3 | -38.4 | 170.7 | -89.7 | 164.2 | 0 | 0 | 0 | 113 | R1285 M1287 K1293 | R1285-L1289 WeakPolarHBondContact O-CB 3.41Å; R1285-L1289 PolarHBondContact O-N 3.49Å; R1285-L1289 VanDerWaalsContact O-N 3.14Å; M1287-L1289 VanDerWaalsContact C-N 3.32Å; M1287-L1289 PolarHBondContact O-N 3.15Å; L1289-K1293 WeakPolarHBondContact O-CB 3.48Å; L1289-K1293 PolarHBondContact O-N 3.3Å; L1289-K1293 VanDerWaalsContact O-N 3.11Å |
| 1290 | R | 89.4 | Confident | 87.4 | Confident | 96 Ų | 96 | 66.5 Ų | 66.5 | 36% | 0.362 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -69.5 | -44.9 | 178.2 | -157.9 | 73.4 | 176.8 | -178 | 2 | 111.8 | Y1264 L1265 I1268 E1286 M1287 T1288 K1293 M1294 | Y1264-R1290 PolarHBondContact O-NE 3.24Å; L1265-R1290 HydrophobicContact CD2-CG 4.21Å; I1268-R1290 HydrophobicContact CD1-CB 3.85Å; I1268-R1290 HydrophobicContact CD1-CG 3.95Å; E1286-R1290 WeakPolarHBondContact O-CB 3.34Å; E1286-R1290 PolarHBondContact O-N 2.69Å; M1287-R1290 CarbonylContact O-C 3.51Å; M1287-R1290 WeakPolarHBondContact O-CA 3.44Å; M1287-R1290 WeakPolarHBondContact O-CB 3.49Å; M1287-R1290 PolarHBondContact O-N 3.4Å; T1288-R1290 VanDerWaalsContact C-N 3.34Å; T1288-R1290 PolarHBondContact O-N 2.99Å; R1290-K1293 PolarHBondContact O-N 2.78Å; R1290-M1294 WeakPolarHBondContact O-CG 3.31Å; R1290-M1294 PolarHBondContact O-N 3.35Å |
| 1291 | I | 91.4 | Very high | 87.4 | Confident | 2 Ų | 2 | 69.5 Ų | 69.5 | 1% | 0.01 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.3 | -53.6 | 176.3 | -73 | 165.4 | 0 | 0 | 0 | 110.3 | M1287 T1288 K1293 M1294 Q1295 V1309 D1310 F1313 | M1287-I1291 HydrophobicContact CE-CD1 3.91Å; M1287-I1291 HydrophobicContact CE-CG1 4.44Å; M1287-I1291 WeakPolarHBondContact O-CB 3.26Å; M1287-I1291 WeakPolarHBondContact O-CG1 3.34Å; M1287-I1291 PolarHBondContact O-N 2.8Å; T1288-I1291 PolarHBondContact O-N 3.22Å; I1291-K1293 PolarHBondContact O-N 2.94Å; I1291-M1294 CarbonylContact O-C 3.6Å; I1291-M1294 WeakPolarHBondContact O-CA 3.1Å; I1291-M1294 WeakPolarHBondContact O-CB 3.21Å; I1291-M1294 PolarHBondContact O-N 3.47Å; I1291-Q1295 HydrophobicContact CG2-CG 4.44Å; I1291-Q1295 WeakPolarHBondContact O-CG 3.36Å; I1291-Q1295 PolarHBondContact O-N 3.23Å; I1291-V1309 HydrophobicContact CD1-CG1 3.99Å; I1291-V1309 HydrophobicContact CG1-CG1 3.85Å; I1291-D1310 HydrophobicContact CG2-CB 3.51Å; I1291-F1313 HydrophobicContact CD1-CB 3.87Å; I1291-F1313 HydrophobicContact CD1-CD1 3.55Å; I1291-F1313 HydrophobicContact CD1-CE1 4.36Å; I1291-F1313 HydrophobicContact CD1-CG 3.82Å |
| 1292 | S | 86.9 | Confident | 87.5 | Confident | 69 Ų | 69 | 67 Ų | 67 | 48% | 0.483 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -54.4 | -42.1 | 176.3 | 179.3 | 0 | 0 | 0 | 0 | 111.5 | T1288 M1294 Q1295 S1296 | T1288-S1292 VanDerWaalsContact O-CB 3.25Å; T1288-S1292 WeakPolarHBondContact O-CB 3.47Å; T1288-S1292 PolarHBondContact O-N 2.87Å; S1292-M1294 PolarHBondContact O-N 2.96Å; S1292-Q1295 CarbonylContact O-C 3.52Å; S1292-Q1295 PolarHBondContact O-N 3.09Å; S1292-S1296 PolarHBondContact O-N 2.93Å |
| 1293 | K | 87.6 | Confident | 87.5 | Confident | 147 Ų | 147 | 70.6 Ų | 70.6 | 64% | 0.639 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63.3 | -40.3 | 174.9 | -168.4 | 166.5 | -174.6 | 168.1 | 0 | 113 | L1289 R1290 I1291 S1296 D1297 | L1289-K1293 WeakPolarHBondContact O-CB 3.48Å; L1289-K1293 PolarHBondContact O-N 3.3Å; L1289-K1293 VanDerWaalsContact O-N 3.11Å; R1290-K1293 PolarHBondContact O-N 2.78Å; I1291-K1293 PolarHBondContact O-N 2.94Å; K1293-S1296 PolarHBondContact O-N 2.91Å; K1293-S1296 PolarHBondContact O-OG 2.76Å; K1293-D1297 PolarHBondContact O-N 3.44Å |
| 1294 | M | 90.4 | Very high | 87.2 | Confident | 9 Ų | 9 | 74.4 Ų | 74.4 | 4% | 0.044 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66 | -38.3 | 173.5 | -67.7 | 168.1 | 66.6 | 0 | 0 | 112.1 | Y1264 L1265 R1290 I1291 S1292 S1296 D1297 V1302 R1303 I1305 | Y1264-M1294 HydrophobicContact CD1-CE 4.37Å; Y1264-M1294 HydrophobicContact CD2-CE 3.87Å; Y1264-M1294 HydrophobicContact CG-CE 3.69Å; Y1264-M1294 HydrophobicContact CG-SD 4.19Å; L1265-M1294 HydrophobicContact CD2-SD 4.46Å; R1290-M1294 WeakPolarHBondContact O-CG 3.31Å; R1290-M1294 PolarHBondContact O-N 3.35Å; I1291-M1294 CarbonylContact O-C 3.6Å; I1291-M1294 WeakPolarHBondContact O-CA 3.1Å; I1291-M1294 WeakPolarHBondContact O-CB 3.21Å; I1291-M1294 PolarHBondContact O-N 3.47Å; S1292-M1294 PolarHBondContact O-N 2.96Å; M1294-S1296 PolarHBondContact O-N 2.94Å; M1294-D1297 WeakPolarHBondContact O-CB 3.44Å; M1294-D1297 PolarHBondContact O-N 3.16Å; M1294-V1302 HydrophobicContact CB-CG1 3.88Å; M1294-V1302 HydrophobicContact CG-CG1 4.02Å; M1294-R1303 WeakPolarHBondContact O-CA 3.37Å; M1294-I1305 HydrophobicContact CE-CB 4.17Å; M1294-I1305 HydrophobicContact CE-CG2 3.57Å |
| 1295 | Q | 88.2 | Confident | 87.1 | Confident | 62 Ų | 62 | 75 Ų | 75 | 29% | 0.29 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.9 | -21.9 | 173.7 | -65.9 | -177.8 | 6.4 | 0 | 0 | 113.4 | I1291 S1292 R1303 G1306 R1307 D1310 | I1291-Q1295 HydrophobicContact CG2-CG 4.44Å; I1291-Q1295 WeakPolarHBondContact O-CG 3.36Å; I1291-Q1295 PolarHBondContact O-N 3.23Å; S1292-Q1295 CarbonylContact O-C 3.52Å; S1292-Q1295 PolarHBondContact O-N 3.09Å; Q1295-R1303 VanDerWaalsContact O-CD 3.27Å; Q1295-R1303 WeakPolarHBondContact O-CD 3.25Å; Q1295-R1303 WeakPolarHBondContact O-CG 3.24Å; Q1295-G1306 PolarHBondContact NE2-O 3.12Å; Q1295-G1306 VanDerWaalsContact NE2-O 3.13Å; Q1295-R1307 HydrophobicContact CG-CG 4.32Å; Q1295-D1310 VanDerWaalsContact NE2-CG 3.27Å; Q1295-D1310 PolarHBondContact NE2-OD2 3.09Å |
| 1296 | S | 83 | Confident | 87.3 | Confident | 89 Ų | 89 | 69.1 Ų | 69.1 | 62% | 0.622 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -9.7 | 172.9 | 79.6 | 0 | 0 | 0 | 0 | 114.4 | S1292 K1293 M1294 | S1292-S1296 PolarHBondContact O-N 2.93Å; K1293-S1296 PolarHBondContact O-N 2.91Å; K1293-S1296 PolarHBondContact O-OG 2.76Å; M1294-S1296 PolarHBondContact O-N 2.94Å |
| 1297 | D | 86.7 | Confident | 87.1 | Confident | 59 Ų | 59 | 75.1 Ų | 75.1 | 32% | 0.316 | 37% | 0.374 | S | S | . | . | trans | -66 | 142.3 | -170.6 | -165 | -80.1 | 0 | 0 | 0 | 112.6 | K1293 M1294 T1299 V1302 R1303 | K1293-D1297 PolarHBondContact O-N 3.44Å; M1294-D1297 WeakPolarHBondContact O-CB 3.44Å; M1294-D1297 PolarHBondContact O-N 3.16Å; D1297-T1299 VanDerWaalsContact C-N 3.29Å; D1297-T1299 PolarHBondContact O-N 3.43Å; D1297-T1299 WeakPolarHBondContact OD1-CB 3.36Å; D1297-T1299 PolarHBondContact OD1-N 3.26Å; D1297-T1299 PolarHBondContact OD1-OG1 3.21Å; D1297-V1302 HydrophobicContact CB-CB 3.82Å; D1297-V1302 HydrophobicContact CB-CG1 3.58Å; D1297-R1303 PolarHBondContact O-NE 3.35Å | ||
| 1298 | R | 77.1 | Confident | 87 | Confident | 238 Ų | 238 | 77 Ų | 77 | 90% | 0.898 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -64.5 | -34 | -179.8 | -72.6 | -175.5 | 171.5 | -172 | -3.3 | 112.2 | R1303 | R1298-R1303 PolarHBondContact O-NH2 3.09Š|
| 1299 | T | 84.9 | Confident | 87 | Confident | 73 Ų | 73 | 75.2 Ų | 75.2 | 45% | 0.448 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -73 | 130.3 | 179.7 | 65.9 | 0 | 0 | 0 | 0 | 111.2 | D1297 Q1301 V1302 R1303 | D1297-T1299 VanDerWaalsContact C-N 3.29Å; D1297-T1299 PolarHBondContact O-N 3.43Å; D1297-T1299 WeakPolarHBondContact OD1-CB 3.36Å; D1297-T1299 PolarHBondContact OD1-N 3.26Å; D1297-T1299 PolarHBondContact OD1-OG1 3.21Å; T1299-Q1301 VanDerWaalsContact C-N 3.26Å; T1299-Q1301 PolarHBondContact O-N 3.39Å; T1299-V1302 PolarHBondContact O-N 2.99Å; T1299-V1302 VanDerWaalsContact OG1-CB 3.31Å; T1299-V1302 WeakPolarHBondContact OG1-CB 3.44Å; T1299-V1302 WeakPolarHBondContact OG1-CG2 3.48Å; T1299-R1303 PolarHBondContact O-N 3.3Å; T1299-R1303 VanDerWaalsContact O-N 3.16Å |
| 1300 | S | 79.7 | Confident | 87.1 | Confident | 96 Ų | 96 | 71 Ų | 71 | 67% | 0.671 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -62.7 | -32.9 | -179.4 | 48.5 | 0 | 0 | 0 | 0 | 112.7 | S1304 | S1300-S1304 WeakPolarHBondContact O-CB 3.47Å; S1300-S1304 PolarHBondContact O-N 3.34Å |
| 1301 | Q | 85.8 | Confident | 86.8 | Confident | 91 Ų | 91 | 69.3 Ų | 69.3 | 43% | 0.425 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.8 | -47 | 177.7 | -173.8 | 179 | -57 | 0 | 0 | 112.2 | T1299 R1303 S1304 I1305 | T1299-Q1301 VanDerWaalsContact C-N 3.26Å; T1299-Q1301 PolarHBondContact O-N 3.39Å; Q1301-R1303 VanDerWaalsContact C-N 3.33Å; Q1301-R1303 PolarHBondContact O-N 2.94Å; Q1301-S1304 WeakPolarHBondContact O-CB 3.15Å; Q1301-S1304 PolarHBondContact O-N 2.65Å; Q1301-I1305 HydrophobicContact CG-CD1 4.09Å; Q1301-I1305 WeakPolarHBondContact O-CG1 3.15Å; Q1301-I1305 PolarHBondContact O-N 2.69Å |
| 1302 | V | 87.6 | Confident | 86.6 | Confident | 12 Ų | 12 | 72.2 Ų | 72.2 | 7% | 0.073 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.4 | -38.8 | 178 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | Y1264 M1294 D1297 T1299 S1304 I1305 G1306 | Y1264-V1302 HydrophobicContact CE1-CG1 4.27Å; Y1264-V1302 HydrophobicContact CE1-CG2 3.76Å; Y1264-V1302 WeakPolarHBondContact OH-CG2 3.46Å; M1294-V1302 HydrophobicContact CB-CG1 3.88Å; M1294-V1302 HydrophobicContact CG-CG1 4.02Å; D1297-V1302 HydrophobicContact CB-CB 3.82Å; D1297-V1302 HydrophobicContact CB-CG1 3.58Å; T1299-V1302 PolarHBondContact O-N 2.99Å; T1299-V1302 VanDerWaalsContact OG1-CB 3.31Å; T1299-V1302 WeakPolarHBondContact OG1-CB 3.44Å; T1299-V1302 WeakPolarHBondContact OG1-CG2 3.48Å; V1302-S1304 VanDerWaalsContact C-N 3.32Å; V1302-S1304 PolarHBondContact O-N 3.01Å; V1302-I1305 PolarHBondContact O-N 2.82Å; V1302-G1306 PolarHBondContact O-N 3.16Å |
| 1303 | R | 87 | Confident | 86.9 | Confident | 103 Ų | 103 | 69 Ų | 69 | 39% | 0.389 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.7 | -37.9 | 172.7 | -111.1 | -175.4 | -63.2 | 145.4 | 2.5 | 113.6 | M1294 Q1295 D1297 R1298 T1299 Q1301 R1307 | M1294-R1303 WeakPolarHBondContact O-CA 3.37Å; Q1295-R1303 VanDerWaalsContact O-CD 3.27Å; Q1295-R1303 WeakPolarHBondContact O-CD 3.25Å; Q1295-R1303 WeakPolarHBondContact O-CG 3.24Å; D1297-R1303 PolarHBondContact O-NE 3.35Å; R1298-R1303 PolarHBondContact O-NH2 3.09Å; T1299-R1303 PolarHBondContact O-N 3.3Å; T1299-R1303 VanDerWaalsContact O-N 3.16Å; Q1301-R1303 VanDerWaalsContact C-N 3.33Å; Q1301-R1303 PolarHBondContact O-N 2.94Å; R1303-R1307 WeakPolarHBondContact O-CG 3.39Å; R1303-R1307 PolarHBondContact O-N 3.44Å |
| 1304 | S | 86.3 | Confident | 86.8 | Confident | 79 Ų | 79 | 64.9 Ų | 64.9 | 55% | 0.552 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65.1 | -51.3 | 175 | -179.5 | 0 | 0 | 0 | 0 | 111.2 | S1300 Q1301 V1302 G1306 R1307 A1308 | S1300-S1304 WeakPolarHBondContact O-CB 3.47Å; S1300-S1304 PolarHBondContact O-N 3.34Å; Q1301-S1304 WeakPolarHBondContact O-CB 3.15Å; Q1301-S1304 PolarHBondContact O-N 2.65Å; V1302-S1304 VanDerWaalsContact C-N 3.32Å; V1302-S1304 PolarHBondContact O-N 3.01Å; S1304-G1306 VanDerWaalsContact C-N 3.32Å; S1304-G1306 PolarHBondContact O-N 2.85Å; S1304-R1307 PolarHBondContact O-N 3.42Å; S1304-R1307 VanDerWaalsContact O-N 3.16Å; S1304-A1308 PolarHBondContact O-N 3.38Å |
| 1305 | I | 88.9 | Confident | 86.4 | Confident | 13 Ų | 13 | 71 Ų | 71 | 7% | 0.067 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.1 | -43.1 | 177.5 | -62.5 | 164.8 | 0 | 0 | 0 | 110.4 | V1258 R1260 C1261 Y1264 M1294 Q1301 V1302 R1307 A1308 V1309 | V1258-I1305 HydrophobicContact CG1-CG2 3.97Å; R1260-I1305 HydrophobicContact CB-CD1 3.8Å; C1261-I1305 HydrophobicContact CB-CG2 4.49Å; Y1264-I1305 HydrophobicContact CD2-CG2 4.47Å; Y1264-I1305 HydrophobicContact CE2-CD1 3.92Å; M1294-I1305 HydrophobicContact CE-CB 4.17Å; M1294-I1305 HydrophobicContact CE-CG2 3.57Å; Q1301-I1305 HydrophobicContact CG-CD1 4.09Å; Q1301-I1305 WeakPolarHBondContact O-CG1 3.15Å; Q1301-I1305 PolarHBondContact O-N 2.69Å; V1302-I1305 PolarHBondContact O-N 2.82Å; I1305-R1307 VanDerWaalsContact C-N 3.27Å; I1305-R1307 PolarHBondContact O-N 2.78Å; I1305-A1308 PolarHBondContact O-N 3.37Å; I1305-V1309 HydrophobicContact CG2-CG2 4.13Å; I1305-V1309 WeakPolarHBondContact O-CB 3.2Å; I1305-V1309 WeakPolarHBondContact O-CG2 3.48Å; I1305-V1309 PolarHBondContact O-N 3.41Å |
| 1306 | G | 90.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.1 | -27.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q1295 V1302 S1304 D1310 | Q1295-G1306 PolarHBondContact NE2-O 3.12Å; Q1295-G1306 VanDerWaalsContact NE2-O 3.13Å; V1302-G1306 PolarHBondContact O-N 3.16Å; S1304-G1306 VanDerWaalsContact C-N 3.32Å; S1304-G1306 PolarHBondContact O-N 2.85Å; G1306-D1310 WeakPolarHBondContact O-CB 3.37Å; G1306-D1310 PolarHBondContact O-N 2.87Å |
| 1307 | R | 86.5 | Confident | 86.6 | Confident | 173 Ų | 173 | 65.4 Ų | 65.4 | 65% | 0.653 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -80.2 | -39.1 | 172 | -73.3 | 177.4 | 176.5 | -167.3 | -4 | 112.6 | Q1295 R1303 S1304 I1305 D1310 A1311 | Q1295-R1307 HydrophobicContact CG-CG 4.32Å; R1303-R1307 WeakPolarHBondContact O-CG 3.39Å; R1303-R1307 PolarHBondContact O-N 3.44Å; S1304-R1307 PolarHBondContact O-N 3.42Å; S1304-R1307 VanDerWaalsContact O-N 3.16Å; I1305-R1307 VanDerWaalsContact C-N 3.27Å; I1305-R1307 PolarHBondContact O-N 2.78Å; R1307-D1310 PolarHBondContact O-N 2.78Å; R1307-A1311 PolarHBondContact O-N 2.81Å; R1307-A1311 VanDerWaalsContact O-N 3.14Å |
| 1308 | A | 88.8 | Confident | 86.3 | Confident | 41 Ų | 41 | 65.3 Ų | 65.3 | 34% | 0.339 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1258 S1304 I1305 D1310 Q1312 | V1258-A1308 HydrophobicContact CG1-CB 4.42Å; V1258-A1308 HydrophobicContact CG2-CB 4.03Å; S1304-A1308 PolarHBondContact O-N 3.38Å; I1305-A1308 PolarHBondContact O-N 3.37Å; A1308-D1310 PolarHBondContact O-N 3.36Å; A1308-Q1312 PolarHBondContact O-N 2.67Å |
| 1309 | V | 91 | Very high | 86.4 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.4 | -41 | 176.3 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | L1254 V1258 C1261 L1265 M1287 I1291 I1305 Q1312 F1313 | L1254-V1309 HydrophobicContact CD1-CG1 4.41Å; L1254-V1309 HydrophobicContact CD2-CG1 4.19Å; V1258-V1309 HydrophobicContact CB-CG2 4.38Å; V1258-V1309 HydrophobicContact CG1-CG2 4.17Å; V1258-V1309 HydrophobicContact CG2-CG2 4.46Å; C1261-V1309 HydrophobicContact CB-CG2 3.72Å; L1265-V1309 HydrophobicContact CD1-CG1 4.06Å; M1287-V1309 HydrophobicContact CE-CG1 4.19Å; I1291-V1309 HydrophobicContact CD1-CG1 3.99Å; I1291-V1309 HydrophobicContact CG1-CG1 3.85Å; I1305-V1309 HydrophobicContact CG2-CG2 4.13Å; I1305-V1309 WeakPolarHBondContact O-CB 3.2Å; I1305-V1309 WeakPolarHBondContact O-CG2 3.48Å; I1305-V1309 PolarHBondContact O-N 3.41Å; V1309-Q1312 PolarHBondContact O-N 2.91Å; V1309-F1313 WeakPolarHBondContact O-CB 3.44Å; V1309-F1313 PolarHBondContact O-N 3.15Å |
| 1310 | D | 90.9 | Very high | 86.3 | Confident | 39 Ų | 39 | 56.5 Ų | 56.5 | 21% | 0.209 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.2 | -51.6 | 178.9 | -161.8 | 26.8 | 0 | 0 | 0 | 112.2 | I1291 Q1295 G1306 R1307 A1308 Q1312 F1313 Q1314 | I1291-D1310 HydrophobicContact CG2-CB 3.51Å; Q1295-D1310 VanDerWaalsContact NE2-CG 3.27Å; Q1295-D1310 PolarHBondContact NE2-OD2 3.09Å; G1306-D1310 WeakPolarHBondContact O-CB 3.37Å; G1306-D1310 PolarHBondContact O-N 2.87Å; R1307-D1310 PolarHBondContact O-N 2.78Å; A1308-D1310 PolarHBondContact O-N 3.36Å; D1310-Q1312 PolarHBondContact O-N 2.89Å; D1310-Q1312 VanDerWaalsContact O-N 3.07Å; D1310-F1313 PolarHBondContact O-N 2.82Å; D1310-F1313 VanDerWaalsContact O-N 3.1Å; D1310-Q1314 WeakPolarHBondContact O-CG 3.33Å; D1310-Q1314 PolarHBondContact O-N 3.2Å; D1310-Q1314 WeakPolarHBondContact OD1-CG 3.37Å; D1310-Q1314 PolarHBondContact OD1-NE2 2.8Å |
| 1311 | A | 84.6 | Confident | 86.1 | Confident | 61 Ų | 61 | 53.7 Ų | 53.7 | 50% | 0.504 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.6 | -24 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | R1307 N1315 | R1307-A1311 PolarHBondContact O-N 2.81Å; R1307-A1311 VanDerWaalsContact O-N 3.14Å; A1311-N1315 PolarHBondContact O-ND2 3.44Å |
| 1312 | Q | 86.5 | Confident | 85.1 | Confident | 63 Ų | 63 | 51 Ų | 51 | 29% | 0.294 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -92.3 | -41.1 | 172.5 | -65.1 | -163.7 | -52.9 | 0 | 0 | 112.6 | L1254 D1257 A1308 V1309 D1310 N1315 A1316 | L1254-Q1312 HydrophobicContact CD2-CB 3.61Å; D1257-Q1312 VanDerWaalsContact CB-NE2 3.33Å; D1257-Q1312 PolarHBondContact OD2-NE2 3.31Å; A1308-Q1312 PolarHBondContact O-N 2.67Å; V1309-Q1312 PolarHBondContact O-N 2.91Å; D1310-Q1312 PolarHBondContact O-N 2.89Å; D1310-Q1312 VanDerWaalsContact O-N 3.07Å; Q1312-N1315 PolarHBondContact O-N 2.9Å; Q1312-A1316 WeakPolarHBondContact O-CB 3.42Å; Q1312-A1316 PolarHBondContact O-N 2.87Å |
| 1313 | F | 92.5 | Very high | 83.3 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64 | -45.6 | -177.5 | -179.3 | -106.5 | 0 | 0 | 0 | 112.3 | I1250 L1254 F1283 A1284 M1287 I1291 V1309 D1310 N1315 A1316 I1317 | I1250-F1313 HydrophobicContact CG2-CD2 3.98Å; I1250-F1313 HydrophobicContact CG2-CE2 4.24Å; L1254-F1313 HydrophobicContact CD1-CB 4.38Å; L1254-F1313 HydrophobicContact CD1-CD2 4.11Å; F1283-F1313 AromaticContact CE1-CE2 3.91Å; F1283-F1313 HydrophobicContact CE1-CE2 3.91Å; F1283-F1313 HydrophobicContact CE1-CZ 4.33Å; F1283-F1313 HydrophobicContact CZ-CE2 4.3Å; A1284-F1313 HydrophobicContact CB-CZ 4.42Å; M1287-F1313 HydrophobicContact CB-CD1 4.36Å; M1287-F1313 HydrophobicContact CB-CE1 3.66Å; M1287-F1313 HydrophobicContact CB-CE2 3.91Å; M1287-F1313 HydrophobicContact CB-CZ 3.41Å; M1287-F1313 VanDerWaalsContact CB-CZ 3.41Å; M1287-F1313 HydrophobicContact CE-CB 4.39Å; M1287-F1313 HydrophobicContact CE-CD1 4.41Å; M1287-F1313 HydrophobicContact CE-CD2 3.48Å; M1287-F1313 VanDerWaalsContact CE-CD2 3.48Å; M1287-F1313 HydrophobicContact CE-CE2 3.8Å; M1287-F1313 HydrophobicContact CE-CG 3.82Å; M1287-F1313 HydrophobicContact CE-CZ 4.4Å; M1287-F1313 HydrophobicContact CG-CE2 3.89Å; M1287-F1313 HydrophobicContact CG-CZ 3.9Å; I1291-F1313 HydrophobicContact CD1-CB 3.87Å; I1291-F1313 HydrophobicContact CD1-CD1 3.55Å; I1291-F1313 HydrophobicContact CD1-CE1 4.36Å; I1291-F1313 HydrophobicContact CD1-CG 3.82Å; V1309-F1313 WeakPolarHBondContact O-CB 3.44Å; V1309-F1313 PolarHBondContact O-N 3.15Å; D1310-F1313 PolarHBondContact O-N 2.82Å; D1310-F1313 VanDerWaalsContact O-N 3.1Å; F1313-N1315 VanDerWaalsContact C-N 3.34Å; F1313-N1315 PolarHBondContact O-N 3.49Å; F1313-A1316 PolarHBondContact O-N 2.98Å; F1313-I1317 HydrophobicContact CD1-CG2 4.36Å; F1313-I1317 HydrophobicContact CD2-CB 4.46Å; F1313-I1317 HydrophobicContact CE1-CB 4.14Å; F1313-I1317 HydrophobicContact CE1-CG1 4.26Å; F1313-I1317 HydrophobicContact CE1-CG2 4.02Å; F1313-I1317 HydrophobicContact CE2-CB 3.99Å; F1313-I1317 HydrophobicContact CE2-CD1 4.02Å; F1313-I1317 HydrophobicContact CE2-CG1 4.11Å; F1313-I1317 HydrophobicContact CZ-CB 3.8Å; F1313-I1317 HydrophobicContact CZ-CD1 3.91Å; F1313-I1317 HydrophobicContact CZ-CG1 3.66Å; F1313-I1317 HydrophobicContact CZ-CG2 4.2Å; F1313-I1317 WeakPolarHBondContact O-CB 3.41Å; F1313-I1317 VanDerWaalsContact O-CG2 3.26Å; F1313-I1317 WeakPolarHBondContact O-CG2 3.35Å; F1313-I1317 PolarHBondContact O-N 3.16Å |
| 1314 | Q | 85.6 | Confident | 81.3 | Confident | 62 Ų | 62 | 56.5 Ų | 56.5 | 29% | 0.29 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 179.5 | -58.3 | -57 | -17.9 | 0 | 0 | 111.5 | D1310 A1316 V1318 | D1310-Q1314 WeakPolarHBondContact O-CG 3.33Å; D1310-Q1314 PolarHBondContact O-N 3.2Å; D1310-Q1314 WeakPolarHBondContact OD1-CG 3.37Å; D1310-Q1314 PolarHBondContact OD1-NE2 2.8Å; Q1314-A1316 VanDerWaalsContact C-N 3.32Å; Q1314-A1316 PolarHBondContact O-N 2.65Å; Q1314-V1318 VanDerWaalsContact O-CG2 3.31Å; Q1314-V1318 WeakPolarHBondContact O-CG2 3.34Å |
| 1315 | N | 81.7 | Confident | 79 | Confident | 138 Ų | 138 | 57.5 Ų | 57.5 | 74% | 0.738 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -64.8 | -35.1 | 177.2 | -74.1 | -36.1 | 0 | 0 | 0 | 112.6 | A1311 Q1312 F1313 | A1311-N1315 PolarHBondContact O-ND2 3.44Å; Q1312-N1315 PolarHBondContact O-N 2.9Å; F1313-N1315 VanDerWaalsContact C-N 3.34Å; F1313-N1315 PolarHBondContact O-N 3.49Å |
| 1316 | A | 86.6 | Confident | 76.5 | Confident | 33 Ų | 33 | 65.1 Ų | 65.1 | 27% | 0.273 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -86.2 | -31.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | I1250 Q1312 F1313 Q1314 S1319 | I1250-A1316 HydrophobicContact CD1-CB 4.27Å; I1250-A1316 WeakPolarHBondContact CD1-O 3.48Å; I1250-A1316 HydrophobicContact CG1-CB 4.05Å; I1250-A1316 HydrophobicContact CG2-CB 4.18Å; Q1312-A1316 WeakPolarHBondContact O-CB 3.42Å; Q1312-A1316 PolarHBondContact O-N 2.87Å; F1313-A1316 PolarHBondContact O-N 2.98Å; Q1314-A1316 VanDerWaalsContact C-N 3.32Å; Q1314-A1316 PolarHBondContact O-N 2.65Å; A1316-S1319 PolarHBondContact O-OG 3.15Å |
| 1317 | I | 88.8 | Confident | 73.7 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -77.3 | -26 | -176.8 | -164.2 | 61.8 | 0 | 0 | 0 | 112.8 | I1250 F1283 A1284 F1313 S1319 V1320 V1321 L1324 | I1250-I1317 HydrophobicContact CD1-CD1 4.12Å; F1283-I1317 HydrophobicContact CD1-CD1 3.97Å; F1283-I1317 HydrophobicContact CE1-CD1 3.88Å; A1284-I1317 HydrophobicContact CB-CD1 4.28Å; A1284-I1317 HydrophobicContact CB-CG1 3.87Å; F1313-I1317 HydrophobicContact CD1-CG2 4.36Å; F1313-I1317 HydrophobicContact CD2-CB 4.46Å; F1313-I1317 HydrophobicContact CE1-CB 4.14Å; F1313-I1317 HydrophobicContact CE1-CG1 4.26Å; F1313-I1317 HydrophobicContact CE1-CG2 4.02Å; F1313-I1317 HydrophobicContact CE2-CB 3.99Å; F1313-I1317 HydrophobicContact CE2-CD1 4.02Å; F1313-I1317 HydrophobicContact CE2-CG1 4.11Å; F1313-I1317 HydrophobicContact CZ-CB 3.8Å; F1313-I1317 HydrophobicContact CZ-CD1 3.91Å; F1313-I1317 HydrophobicContact CZ-CG1 3.66Å; F1313-I1317 HydrophobicContact CZ-CG2 4.2Å; F1313-I1317 WeakPolarHBondContact O-CB 3.41Å; F1313-I1317 VanDerWaalsContact O-CG2 3.26Å; F1313-I1317 WeakPolarHBondContact O-CG2 3.35Å; F1313-I1317 PolarHBondContact O-N 3.16Å; I1317-S1319 PolarHBondContact O-N 3.3Å; I1317-V1320 HydrophobicContact CD1-CB 4.42Å; I1317-V1320 PolarHBondContact O-N 2.94Å; I1317-V1321 HydrophobicContact CD1-CG2 3.96Å; I1317-V1321 HydrophobicContact CG1-CB 4.43Å; I1317-V1321 HydrophobicContact CG1-CG2 3.85Å; I1317-V1321 PolarHBondContact O-N 2.8Å; I1317-L1324 HydrophobicContact CG1-CD1 4.28Å; I1317-L1324 HydrophobicContact CG2-CD1 3.74Å |
| 1318 | V | 81.5 | Confident | 71 | Confident | 57 Ų | 57 | 67.2 Ų | 67.2 | 35% | 0.345 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.9 | -27.5 | 179.3 | 167 | 0 | 0 | 0 | 0 | 112.5 | Q1314 V1320 G1322 | Q1314-V1318 VanDerWaalsContact O-CG2 3.31Å; Q1314-V1318 WeakPolarHBondContact O-CG2 3.34Å; V1318-V1320 VanDerWaalsContact C-N 3.28Å; V1318-V1320 PolarHBondContact O-N 3.22Å; V1318-G1322 WeakPolarHBondContact CA-O 3.4Å; V1318-G1322 VanDerWaalsContact O-CA 3.23Å; V1318-G1322 WeakPolarHBondContact O-CA 3.17Å; V1318-G1322 PolarHBondContact O-N 3.23Å |
| 1319 | S | 79.6 | Confident | 68.1 | Low | 101 Ų | 101 | 71.6 Ų | 71.6 | 71% | 0.706 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -75.1 | -13.8 | 173.8 | 62.3 | 0 | 0 | 0 | 0 | 114.4 | A1316 I1317 | A1316-S1319 PolarHBondContact O-OG 3.15Å; I1317-S1319 PolarHBondContact O-N 3.3Å |
| 1320 | V | 82.4 | Confident | 65.2 | Low | 25 Ų | 25 | 76.2 Ų | 76.2 | 15% | 0.152 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -107.8 | -31.4 | -178.2 | -174.7 | 0 | 0 | 0 | 0 | 112.1 | W1243 Q1246 I1250 P1280 I1317 V1318 | W1243-V1320 HydrophobicContact CB-CG1 4.25Å; Q1246-V1320 HydrophobicContact CB-CG1 4.34Å; Q1246-V1320 HydrophobicContact CB-CG2 3.81Å; I1250-V1320 HydrophobicContact CD1-CG2 3.72Å; P1280-V1320 HydrophobicContact CB-CG1 4.04Å; I1317-V1320 HydrophobicContact CD1-CB 4.42Å; I1317-V1320 PolarHBondContact O-N 2.94Å; V1318-V1320 VanDerWaalsContact C-N 3.28Å; V1318-V1320 PolarHBondContact O-N 3.22Å |
| 1321 | V | 75.4 | Confident | 62.2 | Low | 36 Ų | 36 | 77.8 Ų | 77.8 | 22% | 0.218 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -108.3 | -17.7 | -175.7 | 173.1 | 0 | 0 | 0 | 0 | 112.8 | P1280 M1281 A1284 I1317 L1324 | P1280-V1321 HydrophobicContact CB-CG2 4.04Å; M1281-V1321 HydrophobicContact CG-CG1 3.75Å; M1281-V1321 HydrophobicContact SD-CG1 3.89Å; A1284-V1321 HydrophobicContact CB-CG2 4.27Å; I1317-V1321 HydrophobicContact CD1-CG2 3.96Å; I1317-V1321 HydrophobicContact CG1-CB 4.43Å; I1317-V1321 HydrophobicContact CG1-CG2 3.85Å; I1317-V1321 PolarHBondContact O-N 2.8Å; V1321-L1324 HydrophobicContact CB-CD1 3.99Å; V1321-L1324 HydrophobicContact CG1-CD1 3.7Å; V1321-L1324 HydrophobicContact CG1-CG 4.15Å |
| 1322 | G | 65.2 | Low | 59.4 | Low | 35 Ų | 35 | 81.3 Ų | 81.3 | 36% | 0.361 | 50% | 0.498 | S | S | . | . | trans | 76.7 | -166 | -160.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | V1318 L1324 | V1318-G1322 WeakPolarHBondContact CA-O 3.4Å; V1318-G1322 VanDerWaalsContact O-CA 3.23Å; V1318-G1322 WeakPolarHBondContact O-CA 3.17Å; V1318-G1322 PolarHBondContact O-N 3.23Å; G1322-L1324 PolarHBondContact O-N 3.07Å; G1322-L1324 VanDerWaalsContact O-N 3.1Å | ||
| 1323 | Y | 49.9 | Very low | 56.7 | Low | 193 Ų | 193 | 82.8 Ų | 82.8 | 76% | 0.757 | 52% | 0.521 | S | S | * | . | trans | -62.5 | 112.3 | 176.8 | -99.7 | -95.5 | 0 | 0 | 0 | 110.7 | ||||
| 1324 | L | 45.1 | Very low | 53.5 | Low | 38 Ų | 38 | 88.7 Ų | 88.7 | 20% | 0.199 | 56% | 0.562 | C | S | . | * | P | Polyproline II helix | trans | -67.9 | 128.8 | 163.1 | -89.1 | 94.4 | 0 | 0 | 0 | 108.7 | A1284 I1317 V1321 G1322 | A1284-L1324 HydrophobicContact CB-CD1 4.48Å; A1284-L1324 HydrophobicContact CB-CD2 4.19Å; I1317-L1324 HydrophobicContact CG1-CD1 4.28Å; I1317-L1324 HydrophobicContact CG2-CD1 3.74Å; V1321-L1324 HydrophobicContact CB-CD1 3.99Å; V1321-L1324 HydrophobicContact CG1-CD1 3.7Å; V1321-L1324 HydrophobicContact CG1-CG 4.15Å; G1322-L1324 PolarHBondContact O-N 3.07Å; G1322-L1324 VanDerWaalsContact O-N 3.1Å |
| 1325 | P | 36.3 | Very low | 50.7 | Low | 100 Ų | 100 | 90.4 Ų | 90.4 | 65% | 0.649 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 136.3 | 162.3 | 28.3 | -32.6 | 0 | 0 | 0 | 108.8 | ||
| 1326 | E | 36.6 | Very low | 48.2 | Very low | 172 Ų | 172 | 89.7 Ų | 89.7 | 80% | 0.804 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 146.8 | 167.7 | -78.4 | -158 | 176 | 0 | 0 | 109.7 | T1328 | E1326-T1328 VanDerWaalsContact C-N 3.28Å; E1326-T1328 PolarHBondContact O-N 3.5Å |
| 1327 | P | 32.6 | Very low | 45.4 | Very low | 117 Ų | 117 | 92.6 Ų | 92.6 | 76% | 0.76 | 61% | 0.614 | S | S | * | * | trans | -70.9 | 84 | 179.4 | 29.4 | -34.8 | 0 | 0 | 0 | 110.8 | S1329 | P1327-S1329 PolarHBondContact O-N 2.8Š| ||
| 1328 | T | 29.1 | Very low | 42.4 | Very low | 101 Ų | 101 | 101.1 Ų | 101.1 | 62% | 0.62 | 65% | 0.651 | S | S | * | * | trans | -47.7 | 120.9 | 176.8 | 53.9 | 0 | 0 | 0 | 0 | 110.7 | E1326 S1330 | E1326-T1328 VanDerWaalsContact C-N 3.28Å; E1326-T1328 PolarHBondContact O-N 3.5Å; T1328-S1330 WeakPolarHBondContact CB-OG 3.48Å; T1328-S1330 PolarHBondContact O-N 3Å; T1328-S1330 PolarHBondContact OG1-OG 2.79Å | ||
| 1329 | S | 29.2 | Very low | 39.9 | Very low | 132 Ų | 132 | 104.4 Ų | 104.4 | 92% | 0.923 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -78.6 | 56.1 | -173.6 | 65.1 | 0 | 0 | 0 | 0 | 112.8 | P1327 | P1327-S1329 PolarHBondContact O-N 2.8Š|
| 1330 | S | 28.7 | Very low | 37.3 | Very low | 98 Ų | 98 | 106.3 Ų | 106.3 | 69% | 0.685 | 67% | 0.674 | S | S | * | * | trans | -140.1 | 53.6 | -167.8 | 48.6 | 0 | 0 | 0 | 0 | 111.6 | T1328 | T1328-S1330 WeakPolarHBondContact CB-OG 3.48Å; T1328-S1330 PolarHBondContact O-N 3Å; T1328-S1330 PolarHBondContact OG1-OG 2.79Å | ||
| 1331 | G | 27.9 | Very low | 34.8 | Very low | 71 Ų | 71 | 116.3 Ų | 116.3 | 73% | 0.732 | 71% | 0.709 | S | S | * | * | trans | -142.9 | 107 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1333 | G1331-A1333 PolarHBondContact O-N 2.83Š| ||
| 1332 | S | 26.7 | Very low | 32.5 | Very low | 136 Ų | 136 | 126.2 Ų | 126.2 | 95% | 0.951 | 74% | 0.743 | S | S | * | * | trans | -80.5 | 93.1 | 177.3 | 57.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1333 | A | 28.4 | Very low | 31 | Very low | 94 Ų | 94 | 130.2 Ų | 130.2 | 78% | 0.777 | 77% | 0.765 | S | S | * | * | trans | -129.4 | 121.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G1331 | G1331-A1333 PolarHBondContact O-N 2.83Š| ||
| 1334 | S | 26.8 | Very low | 30 | Very low | 123 Ų | 123 | 129.1 Ų | 129.1 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | -82.3 | 115.2 | 173 | 53.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1335 | A | 26.5 | Very low | 29.3 | Very low | 99 Ų | 99 | 130.9 Ų | 130.9 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -123.2 | 112.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1336 | P | 29.1 | Very low | 29.1 | Very low | 122 Ų | 122 | 132 Ų | 132 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | trans | -99.8 | 128.8 | -175 | 34.9 | -31.7 | 0 | 0 | 0 | 114.3 | ||||
| 1337 | A | 26.8 | Very low | 28.8 | Very low | 94 Ų | 94 | 131.1 Ų | 131.1 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | trans | -166.5 | 149.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1338 | F | 27.6 | Very low | 28.6 | Very low | 179 Ų | 179 | 135.5 Ų | 135.5 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | cis | -159.3 | 143.5 | -17.3 | -136.3 | -100.6 | 0 | 0 | 0 | 110 | ||||
| 1339 | N | 28.3 | Very low | 28.6 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 68% | 0.679 | 81% | 0.806 | S | S | * | * | trans | 32.6 | 126.3 | 158.9 | -73.8 | -11.2 | 0 | 0 | 0 | 123.8 | ||||
| 1340 | T | 25.8 | Very low | 28.5 | Very low | 140 Ų | 140 | 135.6 Ų | 135.6 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | S | Bend | -138.9 | 93.3 | 117.8 | 56 | 0 | 0 | 0 | 0 | 112.9 | |||
| 1341 | R | 29.5 | Very low | 28.7 | Very low | 236 Ų | 236 | 136 Ų | 136 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | S | Bend | trans | 150.8 | 106.3 | 139.6 | -84.7 | 179.3 | 174 | -164.4 | -2.3 | 114.2 | ||
| 1342 | R | 27 | Very low | 28.7 | Very low | 243 Ų | 243 | 139.6 Ų | 139.6 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | trans | 20.3 | 114.9 | 148 | -61.1 | 178.5 | 176.2 | 179.3 | -2.7 | 120.1 | ||||
| 1343 | S | 33 | Very low | 28.8 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | -169.7 | 177 | 106.7 | 61.8 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1344 | N | 29.3 | Very low | 28.7 | Very low | 170 Ų | 170 | 142.4 Ų | 142.4 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | -103.6 | 151.5 | -165.2 | -56.6 | -20.8 | 0 | 0 | 0 | 113 | ||||
| 1345 | G | 31.1 | Very low | 28.7 | Very low | 75 Ų | 75 | 144.9 Ų | 144.9 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | 174.2 | 46.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1346 | T | 31.6 | Very low | 28.8 | Very low | 124 Ų | 124 | 145.2 Ų | 145.2 | 76% | 0.761 | 79% | 0.788 | S | S | * | * | trans | 9.7 | 121.1 | 159.7 | 49.6 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1347 | Q | 29 | Very low | 28.7 | Very low | 154 Ų | 154 | 144.1 Ų | 144.1 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | trans | 67.2 | 154.2 | 135.1 | -59.8 | -171.2 | 15 | 0 | 0 | 119.6 | ||||
| 1348 | R | 29.2 | Very low | 28.9 | Very low | 209 Ų | 209 | 146.9 Ų | 146.9 | 79% | 0.789 | 79% | 0.785 | S | S | * | * | cis | -160.7 | 153.9 | 6.6 | -133.1 | 168.1 | -176.8 | 175.1 | 0.1 | 111.5 | ||||
| 1349 | S | 29.6 | Very low | 29 | Very low | 100 Ų | 100 | 146 Ų | 146 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | trans | 39.7 | 133 | 154 | 48.4 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1350 | V | 27.9 | Very low | 29 | Very low | 135 Ų | 135 | 146.6 Ų | 146.6 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | cis | 78.6 | 141.1 | 24.9 | -174.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1351 | P | 32.6 | Very low | 29 | Very low | 106 Ų | 106 | 144.9 Ų | 144.9 | 69% | 0.688 | 79% | 0.785 | S | S | * | * | cis | -136.6 | 168.3 | -6.1 | 35.5 | -14.4 | 0 | 0 | 0 | 119.8 | ||||
| 1352 | I | 27.8 | Very low | 29.1 | Very low | 147 Ų | 147 | 140.1 Ų | 140.1 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | trans | 26.9 | 128.9 | 132.2 | -44.9 | 163 | 0 | 0 | 0 | 123.3 | ||||
| 1353 | M | 27.5 | Very low | 29.5 | Very low | 178 Ų | 178 | 133.6 Ų | 133.6 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | 161.6 | 171.6 | 129 | -90.8 | -168 | -64.2 | 0 | 0 | 111.1 | |||||
| 1354 | V | 27.3 | Very low | 29.1 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 67% | 0.667 | 77% | 0.772 | S | S | * | * | -165.9 | 138.8 | -58.9 | 134.9 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 1355 | E | 25.9 | Very low | 29.2 | Very low | 176 Ų | 176 | 134.3 Ų | 134.3 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | 59.8 | 149.7 | 160.3 | -75.7 | 169.4 | -178.1 | 0 | 0 | 126 | ||||
| 1356 | S | 28.1 | Very low | 29.2 | Very low | 106 Ų | 106 | 136.7 Ų | 136.7 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | trans | 70 | 127.3 | 146.8 | 62.3 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 1357 | S | 28.8 | Very low | 29.3 | Very low | 98 Ų | 98 | 133.9 Ų | 133.9 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | trans | 75.2 | 129.2 | 133 | 56.8 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1358 | D | 29.9 | Very low | 29.3 | Very low | 152 Ų | 152 | 131 Ų | 131 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | trans | 75.1 | 106.9 | 135.8 | -53.6 | -5.2 | 0 | 0 | 0 | 122.9 | ||||
| 1359 | D | 28.9 | Very low | 29 | Very low | 160 Ų | 160 | 126.6 Ų | 126.6 | 86% | 0.856 | 74% | 0.738 | S | S | * | * | 61.6 | 166.8 | 127.8 | -113.4 | -32.3 | 0 | 0 | 0 | 124.8 | |||||
| 1360 | D | 28.3 | Very low | 28.8 | Very low | 140 Ų | 140 | 130 Ų | 130 | 75% | 0.749 | 74% | 0.735 | S | S | * | * | trans | 66.4 | 103.5 | 163.8 | -93.3 | -33.9 | 0 | 0 | 0 | 122.4 | ||||
| 1361 | S | 26.7 | Very low | 28.5 | Very low | 105 Ų | 105 | 129.4 Ų | 129.4 | 73% | 0.734 | 72% | 0.718 | S | S | * | * | 90.6 | 126.3 | 126.2 | 78.4 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 1362 | V | 30.9 | Very low | 28 | Very low | 136 Ų | 136 | 130 Ų | 130 | 82% | 0.824 | 71% | 0.713 | S | S | * | * | trans | -30.5 | 168 | 154.6 | -95.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1363 | P | 35.5 | Very low | 27.7 | Very low | 106 Ų | 106 | 123.9 Ų | 123.9 | 69% | 0.688 | 68% | 0.681 | S | S | * | * | cis | -136.2 | -179.3 | 2.4 | 27.8 | -3.4 | 0 | 0 | 0 | 116.9 | ||||
| 1364 | E | 26 | Very low | 27.8 | Very low | 181 Ų | 181 | 118.7 Ų | 118.7 | 85% | 0.846 | 66% | 0.659 | S | S | * | * | trans | 45.8 | 107.3 | 147 | -71.6 | -177.6 | 157.5 | 0 | 0 | 121.9 | ||||
| 1365 | S | 31.1 | Very low | 27.6 | Very low | 123 Ų | 123 | 117.3 Ų | 117.3 | 86% | 0.86 | 64% | 0.642 | S | S | * | * | -145.4 | 123.4 | 119.1 | 64.8 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 1366 | T | 31.6 | Very low | 27.9 | Very low | 124 Ų | 124 | 112.2 Ų | 112.2 | 76% | 0.761 | 63% | 0.626 | S | S | * | * | trans | -102.3 | -171.4 | 175.7 | 62.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1367 | P | 32 | Very low | 27.8 | Very low | 66 Ų | 66 | 110.7 Ų | 110.7 | 43% | 0.429 | 61% | 0.612 | S | S | . | * | cis | -129.6 | -178.4 | -14.9 | 24.9 | -1.5 | 0 | 0 | 0 | 113.4 | L1369 | P1367-L1369 HydrophobicContact CB-CD1 4.16Š| ||
| 1368 | V | 29.7 | Very low | 27.9 | Very low | 93 Ų | 93 | 109.5 Ų | 109.5 | 56% | 0.564 | 60% | 0.596 | S | S | * | * | trans | 151.9 | 97.4 | 153.4 | 157.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 1369 | L | 23.9 | Very low | 27.9 | Very low | 117 Ų | 117 | 106.3 Ų | 106.3 | 61% | 0.613 | 59% | 0.586 | S | S | * | * | cis | 54 | 109.7 | 27.8 | -60.7 | 177.6 | 0 | 0 | 0 | 111.6 | P1367 | P1367-L1369 HydrophobicContact CB-CD1 4.16Š| ||
| 1370 | R | 23.6 | Very low | 28.1 | Very low | 172 Ų | 172 | 101.1 Ų | 101.1 | 65% | 0.649 | 57% | 0.569 | S | S | * | * | cis | -156.6 | 161.9 | 24.2 | -109.1 | 165.9 | 178.8 | 165.1 | 1.4 | 109.1 | ||||
| 1371 | R | 22 | Very low | 28.3 | Very low | 122 Ų | 122 | 97.3 Ų | 97.3 | 46% | 0.46 | 56% | 0.557 | S | S | . | * | 53.1 | 123.4 | 91.4 | -130.2 | 173.6 | 171 | -149.7 | 9.5 | 107.9 | K113 E114 | K113-R1371 HydrophobicContact CB-CG 3.8Å; K113-R1371 HydrophobicContact CG-CG 3.95Å; E114-R1371 IonicContact OE1-CZ 2.74Å; E114-R1371 IonicContact OE1-NE 3.09Å; E114-R1371 IonicContact OE1-NH2 3.55Å; E114-R1371 PolarHBondContact OE1-NH2 2.84Å | |||
| 1372 | M | 21.8 | Very low | 28.6 | Very low | 119 Ų | 119 | 95.4 Ų | 95.4 | 59% | 0.586 | 54% | 0.539 | S | S | * | . | -178.6 | 101.9 | 92.5 | -86.6 | -117 | 147.6 | 0 | 0 | 121.3 | K113 | K113-M1372 HydrophobicContact CD-CB 3.96Å; K113-M1372 HydrophobicContact CD-CE 3.54Å; K113-M1372 HydrophobicContact CD-CG 3.73Å; K113-M1372 HydrophobicContact CD-SD 3.28Å; K113-M1372 WeakPolarHBondContact CD-SD 3.29Å; K113-M1372 VanDerWaalsContact CE-CG 3.41Å; K113-M1372 WeakPolarHBondContact CE-SD 3.23Å; K113-M1372 VanDerWaalsContact CG-CA 3.41Å; K113-M1372 HydrophobicContact CG-CB 4.04Å; K113-M1372 HydrophobicContact CG-CE 3.93Å; K113-M1372 HydrophobicContact CG-CG 3.84Å; K113-M1372 HydrophobicContact CG-SD 4.03Å; K113-M1372 PolarHBondContact NZ-SD 2.88Å; K113-M1372 VanDerWaalsContact NZ-SD 3.36Å | |||
| 1373 | K | 21.8 | Very low | 28.7 | Very low | 18 Ų | 18 | 95.9 Ų | 95.9 | 8% | 0.078 | 53% | 0.532 | C | S | . | . | trans | 15.6 | 123 | 151.6 | -66.5 | 146.2 | 171.9 | 158.7 | 0 | 118.7 | I109 S110 L111 C112 K113 | I109-K1373 HydrophobicContact CB-CB 4.04Å; I109-K1373 HydrophobicContact CB-CD 4.37Å; I109-K1373 WeakPolarHBondContact CD1-O 3.16Å; I109-K1373 HydrophobicContact CG1-CB 3.85Å; I109-K1373 HydrophobicContact CG2-CB 3.94Å; I109-K1373 HydrophobicContact CG2-CD 3.75Å; I109-K1373 HydrophobicContact CG2-CG 4.27Å; I109-K1373 WeakPolarHBondContact O-CD 3.43Å; I109-K1373 WeakPolarHBondContact O-CE 3.38Å; I109-K1373 WeakPolarHBondContact O-CG 3.11Å; S110-K1373 VanDerWaalsContact O-CE 3.29Å; S110-K1373 WeakPolarHBondContact O-CE 3.28Å; S110-K1373 PolarHBondContact O-NZ 2.98Å; S110-K1373 PolarHBondContact OG-NZ 2.99Å; L111-K1373 VanDerWaalsContact CA-CE 3.44Å; L111-K1373 WeakPolarHBondContact O-CE 3.28Å; C112-K1373 HydrophobicContact CB-CG 3.97Å; C112-K1373 WeakPolarHBondContact O-CG 3.36Å; K113-K1373 VanDerWaalsContact CA-CG 3.4Å; K113-K1373 HydrophobicContact CB-CB 4.3Å; K113-K1373 HydrophobicContact CB-CD 3.07Å; K113-K1373 HydrophobicContact CB-CG 3.33Å; K113-K1373 HydrophobicContact CD-CB 3.43Å; K113-K1373 VanDerWaalsContact CD-CB 3.43Å; K113-K1373 HydrophobicContact CD-CD 3.12Å; K113-K1373 HydrophobicContact CD-CG 3.42Å; K113-K1373 VanDerWaalsContact CD-CG 3.42Å; K113-K1373 VanDerWaalsContact CE-N 3.27Å; K113-K1373 HydrophobicContact CG-CB 3.54Å; K113-K1373 HydrophobicContact CG-CD 3.13Å; K113-K1373 HydrophobicContact CG-CG 3.15Å; K113-K1373 VanDerWaalsContact CG-N 3.29Å | ||
| 1374 | T | 29.8 | Very low | 28.5 | Very low | 68 Ų | 68 | 98.1 Ų | 98.1 | 42% | 0.417 | 53% | 0.533 | S | S | . | . | trans | 42.7 | 161.2 | 140.3 | 40 | 0 | 0 | 0 | 0 | 120.7 | L108 I109 | L108-T1374 PolarHBondContact O-OG1 2.82Å; I109-T1374 WeakPolarHBondContact CA-OG1 3.39Å; I109-T1374 WeakPolarHBondContact CG1-OG1 3.38Å | ||
| 1375 | R | 23.7 | Very low | 28.8 | Very low | 82 Ų | 82 | 95.4 Ų | 95.4 | 31% | 0.309 | 53% | 0.529 | S | S | . | . | cis | -160 | -168.8 | 45.2 | -42.1 | 110.4 | 105.4 | 143.4 | 5.7 | 116 | V102 Y105 N106 I109 | V102-R1375 PolarHBondContact O-NH2 2.96Å; Y105-R1375 VanDerWaalsContact C-CZ 3.47Å; Y105-R1375 HydrophobicContact CD2-CB 3.29Å; Y105-R1375 HydrophobicContact CD2-CG 3.5Å; Y105-R1375 VanDerWaalsContact CD2-CG 3.5Å; Y105-R1375 VanDerWaalsContact CD2-NE 3.33Å; Y105-R1375 VanDerWaalsContact CE1-CZ 3.44Å; Y105-R1375 VanDerWaalsContact CE1-NH2 3.3Å; Y105-R1375 HydrophobicContact CE2-CB 3.05Å; Y105-R1375 HydrophobicContact CE2-CG 3.6Å; Y105-R1375 HydrophobicContact CG-CB 4.32Å; Y105-R1375 HydrophobicContact CG-CG 4.08Å; Y105-R1375 WeakPolarHBondContact O-CG 3.45Å; Y105-R1375 VanDerWaalsContact O-CZ 3.28Å; Y105-R1375 PolarHBondContact O-NE 2.84Å; Y105-R1375 PolarHBondContact O-NH2 2.87Å; N106-R1375 VanDerWaalsContact OD1-CZ 3.29Å; N106-R1375 PolarHBondContact OD1-NH1 3.36Å; N106-R1375 PolarHBondContact OD1-NH2 3.01Å; N106-R1375 VanDerWaalsContact OD1-NH2 3.11Å; I109-R1375 HydrophobicContact CD1-CG 4.19Å; I109-R1375 HydrophobicContact CG1-CG 3.65Å | ||
| 1376 | S | 31.3 | Very low | 28.9 | Very low | 69 Ų | 69 | 93.4 Ų | 93.4 | 48% | 0.483 | 52% | 0.52 | S | S | . | . | trans | -78.1 | -166.7 | 179 | 57.7 | 0 | 0 | 0 | 0 | 114.2 | Y105 | Y105-S1376 WeakPolarHBondContact CE2-O 3.44Å; Y105-S1376 PolarHBondContact OH-O 2.89Å | ||
| 1377 | T | 27.7 | Very low | 29 | Very low | 73 Ų | 73 | 94.8 Ų | 94.8 | 45% | 0.448 | 52% | 0.521 | S | S | . | . | -155.5 | 129.7 | 64.3 | 36.6 | 0 | 0 | 0 | 0 | 116.4 | Y105 | Y105-T1377 HydrophobicContact CD2-CG2 4.01Å; Y105-T1377 HydrophobicContact CE2-CG2 3.57Å | |||
| 1378 | Q | 30 | Very low | 29.2 | Very low | 73 Ų | 73 | 99.2 Ų | 99.2 | 34% | 0.341 | 54% | 0.536 | S | S | . | . | trans | 74 | 159.3 | 133.3 | -52.3 | 164.1 | -21.9 | 0 | 0 | 116.7 | L43 G47 | L43-Q1378 PolarHBondContact O-NE2 3Å; G47-Q1378 VanDerWaalsContact N-NE2 3.13Å | ||
| 1379 | S | 30.1 | Very low | 29.4 | Very low | 86 Ų | 86 | 101.7 Ų | 101.7 | 60% | 0.601 | 55% | 0.546 | S | S | * | . | cis | -176.5 | 141.9 | 46.9 | 178 | 0 | 0 | 0 | 0 | 112.6 | P48 | P48-S1379 VanDerWaalsContact CB-OG 3.3Å; P48-S1379 WeakPolarHBondContact CB-OG 3.28Å; P48-S1379 VanDerWaalsContact CD-OG 3.3Å; P48-S1379 WeakPolarHBondContact CD-OG 3.33Å; P48-S1379 WeakPolarHBondContact CG-OG 3.46Å | ||
| 1380 | G | 32.7 | Very low | 30 | Very low | 50 Ų | 50 | 99.9 Ų | 99.9 | 52% | 0.515 | 56% | 0.556 | S | S | . | * | trans | -148 | -127.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | P48 | P48-G1380 VanDerWaalsContact CB-N 3.34Å; P48-G1380 VanDerWaalsContact CB-O 3.24Å; P48-G1380 WeakPolarHBondContact CB-O 3.4Å; P48-G1380 CarbonylContact O-C 3.56Å; P48-G1380 WeakPolarHBondContact O-CA 3.32Å; P48-G1380 PolarHBondContact O-N 3.43Å | ||
| 1381 | A | 32.8 | Very low | 30.5 | Very low | 60 Ų | 60 | 99.4 Ų | 99.4 | 50% | 0.496 | 57% | 0.566 | S | S | . | * | trans | 121.1 | 158.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | P48 | P48-A1381 PolarHBondContact O-N 2.79Š| ||
| 1382 | N | 33 | Very low | 31.2 | Very low | 66 Ų | 66 | 99.1 Ų | 99.1 | 35% | 0.353 | 58% | 0.583 | S | S | . | * | cis | -171.4 | -177.1 | -10.1 | -100.5 | 2.8 | 0 | 0 | 0 | 109.8 | Q50 | Q50-N1382 WeakPolarHBondContact CB-OD1 3.44Å; Q50-N1382 PolarHBondContact OE1-ND2 3Å; Q50-N1382 PolarHBondContact OE1-OD1 3.34Å | ||
| 1383 | Q | 32 | Very low | 31.8 | Very low | 145 Ų | 145 | 101.5 Ų | 101.5 | 68% | 0.678 | 59% | 0.592 | S | S | * | * | cis | -157.7 | -154.8 | 12.4 | -117.7 | 143.9 | -113.8 | 0 | 0 | 106.8 | ||||
| 1384 | E | 31.8 | Very low | 32.4 | Very low | 153 Ų | 153 | 106 Ų | 106 | 72% | 0.715 | 62% | 0.622 | S | S | * | * | cis | -172.9 | -167 | -5.8 | -119.5 | 171.3 | -80.8 | 0 | 0 | 107.3 | ||||
| 1385 | V | 33.4 | Very low | 32.8 | Very low | 124 Ų | 124 | 108.7 Ų | 108.7 | 75% | 0.752 | 63% | 0.633 | S | S | * | * | cis | -173.9 | 162.2 | -38.1 | 118.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1386 | A | 32.9 | Very low | 33.3 | Very low | 82 Ų | 82 | 110.5 Ų | 110.5 | 68% | 0.678 | 65% | 0.649 | S | S | * | * | cis | -170.4 | -163.1 | -29.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1387 | I | 34.3 | Very low | 33.5 | Very low | 152 Ų | 152 | 115.3 Ų | 115.3 | 78% | 0.779 | 66% | 0.664 | S | S | * | * | trans | 105.9 | 111.2 | 157.5 | -60.2 | 176.6 | 0 | 0 | 0 | 122.7 | ||||
| 1388 | E | 35 | Very low | 33.8 | Very low | 160 Ų | 160 | 115.6 Ų | 115.6 | 75% | 0.748 | 67% | 0.674 | S | S | * | * | trans | 46.3 | 162 | 135.8 | -58.1 | -166.2 | -170.4 | 0 | 0 | 125.6 | ||||
| 1389 | N | 33.9 | Very low | 34 | Very low | 144 Ų | 144 | 120.5 Ų | 120.5 | 77% | 0.77 | 70% | 0.697 | S | S | * | * | cis | -169.4 | 162.1 | -23.4 | -96 | -23.6 | 0 | 0 | 0 | 111 | ||||
| 1390 | G | 36.4 | Very low | 34.2 | Very low | 79 Ų | 79 | 125 Ų | 125 | 81% | 0.814 | 71% | 0.708 | S | S | * | * | trans | 166.4 | 147.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1391 | D | 34.9 | Very low | 34.2 | Very low | 163 Ų | 163 | 127.1 Ų | 127.1 | 87% | 0.872 | 72% | 0.715 | S | S | * | * | trans | -139 | 159.6 | -150.3 | -141.7 | -24.4 | 0 | 0 | 0 | 117.9 | ||||
| 1392 | S | 36 | Very low | 34.2 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | trans | 173.6 | 168.4 | 164.3 | 41.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1393 | Q | 33.9 | Very low | 34 | Very low | 169 Ų | 169 | 132 Ų | 132 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | trans | -153.3 | -173.2 | 175.9 | -143.6 | -172.8 | 102.7 | 0 | 0 | 111.8 | ||||
| 1394 | V | 36.2 | Very low | 34.1 | Very low | 114 Ų | 114 | 130.6 Ų | 130.6 | 69% | 0.691 | 75% | 0.752 | S | S | * | * | 177.3 | 134.1 | 73.4 | 164 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 1395 | N | 36.5 | Very low | 34.1 | Very low | 124 Ų | 124 | 131 Ų | 131 | 66% | 0.663 | 75% | 0.754 | S | S | * | * | trans | 63.7 | 152.1 | 153 | -69.6 | 3.4 | 0 | 0 | 0 | 125.3 | ||||
| 1396 | N | 35.3 | Very low | 34.1 | Very low | 120 Ų | 120 | 132 Ų | 132 | 64% | 0.642 | 75% | 0.75 | S | S | * | * | cis | -172.7 | 169.6 | -30.3 | -134.3 | 19.6 | 0 | 0 | 0 | 113.5 | ||||
| 1397 | E | 34.6 | Very low | 34 | Very low | 169 Ų | 169 | 134.6 Ų | 134.6 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | trans | 63.4 | 167.2 | 150.1 | -78.3 | 165.8 | -92.7 | 0 | 0 | 120.8 | ||||
| 1398 | A | 35.4 | Very low | 33.9 | Very low | 79 Ų | 79 | 133.5 Ų | 133.5 | 65% | 0.653 | 75% | 0.753 | S | S | * | * | cis | -162.4 | 134.2 | -19.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1399 | Q | 32.7 | Very low | 33.4 | Very low | 177 Ų | 177 | 132.6 Ų | 132.6 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | 95.2 | 146.9 | 70 | -74.3 | -155.2 | 0.9 | 0 | 0 | 118.1 | |||||
| 1400 | Q | 34.7 | Very low | 33.2 | Very low | 179 Ų | 179 | 130.9 Ų | 130.9 | 84% | 0.836 | 76% | 0.757 | S | S | * | * | trans | 82.2 | 144.5 | 169.2 | -54.7 | -170.4 | 24.3 | 0 | 0 | 118.3 | ||||
| 1401 | S | 33.3 | Very low | 32.9 | Very low | 95 Ų | 95 | 131.7 Ų | 131.7 | 66% | 0.664 | 76% | 0.756 | S | S | * | * | cis | -165.4 | 153.3 | -9.4 | 45 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1402 | T | 31.7 | Very low | 32.5 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | trans | 51.2 | 107.3 | 145.9 | 53.8 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 1403 | S | 29.5 | Very low | 32 | Very low | 107 Ų | 107 | 137 Ų | 137 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | 27.1 | 136.9 | 124.5 | 62.7 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 1404 | S | 33.9 | Very low | 31.7 | Very low | 115 Ų | 115 | 134.3 Ų | 134.3 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | -178.3 | 130 | 119.4 | 41.1 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 1405 | H | 32.2 | Very low | 31.4 | Very low | 162 Ų | 162 | 140.2 Ų | 140.2 | 75% | 0.75 | 77% | 0.767 | S | S | * | * | trans | 45.3 | 134.8 | 136.4 | -83.8 | -103.7 | 0 | 0 | 0 | 127.5 | ||||
| 1406 | H | 33.7 | Very low | 30.9 | Very low | 143 Ų | 143 | 143 Ų | 143 | 66% | 0.662 | 78% | 0.776 | S | S | * | * | trans | 105.2 | 112.5 | 133.4 | -80.8 | -49.7 | 0 | 0 | 0 | 124.1 | ||||
| 1407 | N | 30 | Very low | 30.6 | Very low | 138 Ų | 138 | 148.6 Ų | 148.6 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | trans | 70.5 | 152.4 | 140.5 | -50.5 | -15.3 | 0 | 0 | 0 | 117.8 | ||||
| 1408 | V | 31.6 | Very low | 30.2 | Very low | 129 Ų | 129 | 152.9 Ų | 152.9 | 78% | 0.782 | 80% | 0.797 | S | S | * | * | cis | -132.9 | 148.2 | 14.6 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1409 | T | 25.5 | Very low | 29.9 | Very low | 140 Ų | 140 | 152.5 Ų | 152.5 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | trans | -119.9 | 131.7 | 165.9 | 43 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1410 | S | 29.2 | Very low | 29.8 | Very low | 109 Ų | 109 | 148.9 Ų | 148.9 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | trans | -165.5 | 163.5 | 162.8 | 61.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1411 | A | 30.1 | Very low | 29.6 | Very low | 96 Ų | 96 | 149.1 Ų | 149.1 | 79% | 0.793 | 80% | 0.802 | S | S | * | * | trans | 51.1 | 87.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1412 | L | 26.2 | Very low | 29.6 | Very low | 151 Ų | 151 | 152.2 Ų | 152.2 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | cis | 71.8 | 86.5 | 27.1 | -135.3 | 176.9 | 0 | 0 | 0 | 114.6 | ||||
| 1413 | R | 26.9 | Very low | 29.7 | Very low | 238 Ų | 238 | 154.4 Ų | 154.4 | 90% | 0.898 | 81% | 0.812 | S | S | * | * | trans | 35.8 | 105.4 | 153.2 | -59.5 | 175.2 | 177.9 | 171.1 | -1.7 | 118.8 | ||||
| 1414 | S | 26.7 | Very low | 30 | Very low | 113 Ų | 113 | 156.2 Ų | 156.2 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | trans | -150.8 | 158.9 | 138.5 | 79.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1415 | R | 29.2 | Very low | 30.1 | Very low | 237 Ų | 237 | 152.9 Ų | 152.9 | 89% | 0.894 | 80% | 0.797 | S | S | * | * | trans | 59.2 | 78.5 | 167.6 | -65.7 | -177.8 | 171.5 | 167 | -0.9 | 118 | ||||
| 1416 | Q | 27.5 | Very low | 30.2 | Very low | 184 Ų | 184 | 152 Ų | 152 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -57.3 | 162.3 | 133.1 | -69 | 173.1 | -39.5 | 0 | 0 | 110.4 | ||||
| 1417 | R | 27.6 | Very low | 30.3 | Very low | 237 Ų | 237 | 149.6 Ų | 149.6 | 89% | 0.894 | 78% | 0.782 | S | S | * | * | S | Bend | trans | 70.9 | 80.4 | 175.1 | -55.6 | -178.6 | 175.8 | -173.2 | -2.3 | 116.7 | ||
| 1418 | R | 27 | Very low | 30.6 | Very low | 258 Ų | 258 | 149.6 Ų | 149.6 | 97% | 0.974 | 78% | 0.778 | S | S | * | * | trans | 167.7 | 124.3 | 137.9 | -93.5 | 165.2 | -169.5 | -160 | 2.7 | 108.4 | ||||
| 1419 | G | 29.6 | Very low | 30.7 | Very low | 71 Ų | 71 | 150.6 Ų | 150.6 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | trans | 153.9 | 25.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1420 | A | 29.7 | Very low | 31.2 | Very low | 101 Ų | 101 | 150.9 Ų | 150.9 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -94.1 | 4.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1421 | E | 30.2 | Very low | 31.5 | Very low | 184 Ų | 184 | 151 Ų | 151 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -129.4 | 7.1 | -158.3 | -66.1 | 170.5 | 129.6 | 0 | 0 | 114.8 | ||
| 1422 | L | 33.5 | Very low | 31.7 | Very low | 160 Ų | 160 | 148.2 Ų | 148.2 | 84% | 0.838 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -126.6 | -3.3 | -169.3 | -77.9 | 169.9 | 0 | 0 | 0 | 117.2 | ||
| 1423 | Q | 34.4 | Very low | 32.1 | Very low | 170 Ų | 170 | 151.1 Ų | 151.1 | 79% | 0.794 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -94.9 | -14.7 | -176.6 | -75.3 | -173.6 | -49.3 | 0 | 0 | 115.7 | G1425 | Q1423-G1425 VanDerWaalsContact C-N 3.29Å; Q1423-G1425 PolarHBondContact O-N 3.01Å |
| 1424 | N | 35.6 | Very low | 32.5 | Very low | 145 Ų | 145 | 147.3 Ų | 147.3 | 78% | 0.775 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -72.7 | -16 | -176.5 | -73.8 | -4.1 | 0 | 0 | 0 | 114.6 | ||
| 1425 | G | 35.4 | Very low | 32.9 | Very low | 44 Ų | 44 | 147 Ų | 147 | 45% | 0.454 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -80.1 | -36.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115 | Q1423 | Q1423-G1425 VanDerWaalsContact C-N 3.29Å; Q1423-G1425 PolarHBondContact O-N 3.01Å |
| 1426 | E | 35.4 | Very low | 33.1 | Very low | 143 Ų | 143 | 140.1 Ų | 140.1 | 67% | 0.668 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -84.3 | -32.7 | -171.4 | -63.2 | -168.9 | 135.7 | 0 | 0 | 113.3 | Q1428 Q1429 Q1430 | E1426-Q1428 PolarHBondContact O-N 3.28Å; E1426-Q1429 PolarHBondContact O-N 3.18Å; E1426-Q1430 PolarHBondContact O-N 2.8Å; E1426-Q1430 VanDerWaalsContact O-N 3.07Å |
| 1427 | E | 35.9 | Very low | 33.4 | Very low | 94 Ų | 94 | 141.6 Ų | 141.6 | 44% | 0.439 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -58.1 | -38.2 | 172.8 | -94 | -142.9 | 163.1 | 0 | 0 | 111.4 | R651 Q1430 R1431 | R651-E1427 IonicContact NH2-OE1 3.16Å; R651-E1427 PolarHBondContact NH2-OE1 2.92Å; R651-E1427 VanDerWaalsContact NH2-OE1 3.1Å; R651-E1427 IonicContact NH2-OE2 3.52Å; E1427-Q1430 PolarHBondContact O-N 2.93Å; E1427-R1431 WeakPolarHBondContact O-CB 3.4Å; E1427-R1431 VanDerWaalsContact O-CG 3.27Å; E1427-R1431 WeakPolarHBondContact O-CG 3.38Å; E1427-R1431 PolarHBondContact O-N 2.9Å; E1427-R1431 IonicContact OE2-CZ 2.75Å; E1427-R1431 IonicContact OE2-NE 3.91Å; E1427-R1431 IonicContact OE2-NH2 3.96Å; E1427-R1431 PolarHBondContact OE2-NH2 3.27Å |
| 1428 | Q | 34.6 | Very low | 33.9 | Very low | 138 Ų | 138 | 137.3 Ų | 137.3 | 65% | 0.645 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -67.7 | -43.2 | -179.4 | -68.5 | -173.9 | -12.6 | 0 | 0 | 111.9 | E1426 Q1430 R1431 H1432 | E1426-Q1428 PolarHBondContact O-N 3.28Å; Q1428-Q1430 PolarHBondContact O-N 3.25Å; Q1428-R1431 PolarHBondContact O-N 2.76Å; Q1428-H1432 PolarHBondContact O-N 2.9Å |
| 1429 | Q | 34.5 | Very low | 34.1 | Very low | 150 Ų | 150 | 132 Ų | 132 | 70% | 0.701 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67.9 | -33.5 | 177.5 | -65.8 | -170.4 | 4.4 | 0 | 0 | 112.7 | E1426 R1433 | E1426-Q1429 PolarHBondContact O-N 3.18Å; Q1429-R1433 PolarHBondContact O-N 3.24Å |
| 1430 | Q | 35.8 | Very low | 34.1 | Very low | 145 Ų | 145 | 138.9 Ų | 138.9 | 68% | 0.678 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -71.7 | -40.7 | 174.1 | -69.8 | -169.2 | 7.5 | 0 | 0 | 112.5 | E1426 E1427 Q1428 H1432 R1433 Y1434 | E1426-Q1430 PolarHBondContact O-N 2.8Å; E1426-Q1430 VanDerWaalsContact O-N 3.07Å; E1427-Q1430 PolarHBondContact O-N 2.93Å; Q1428-Q1430 PolarHBondContact O-N 3.25Å; Q1430-H1432 PolarHBondContact O-N 2.81Å; Q1430-R1433 PolarHBondContact O-N 3.33Å; Q1430-Y1434 PolarHBondContact O-N 2.95Å |
| 1431 | R | 35.7 | Very low | 34.1 | Very low | 111 Ų | 111 | 139.8 Ų | 139.8 | 42% | 0.419 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -56.9 | -47.8 | 172.1 | -75.1 | 171.8 | -170.7 | -129.1 | 9.1 | 111.5 | E1427 Q1428 R1433 Y1434 E1435 | E1427-R1431 WeakPolarHBondContact O-CB 3.4Å; E1427-R1431 VanDerWaalsContact O-CG 3.27Å; E1427-R1431 WeakPolarHBondContact O-CG 3.38Å; E1427-R1431 PolarHBondContact O-N 2.9Å; E1427-R1431 IonicContact OE2-CZ 2.75Å; E1427-R1431 IonicContact OE2-NE 3.91Å; E1427-R1431 IonicContact OE2-NH2 3.96Å; E1427-R1431 PolarHBondContact OE2-NH2 3.27Å; Q1428-R1431 PolarHBondContact O-N 2.76Å; R1431-R1433 VanDerWaalsContact C-N 3.34Å; R1431-R1433 PolarHBondContact O-N 2.69Å; R1431-Y1434 WeakPolarHBondContact O-CA 3.27Å; R1431-Y1434 WeakPolarHBondContact O-CB 3.01Å; R1431-Y1434 PolarHBondContact O-N 2.96Å; R1431-E1435 PolarHBondContact O-N 2.96Å |
| 1432 | H | 33.8 | Very low | 34 | Very low | 39 Ų | 39 | 138.7 Ų | 138.7 | 18% | 0.181 | 64% | 0.64 | C | S | . | * | H | α-helix | trans | -65.4 | -36.1 | -177.7 | -166.1 | 54.1 | 0 | 0 | 0 | 113.1 | S1063 E1065 Q1428 Q1430 Y1434 E1435 L1436 | S1063-H1432 PolarHBondContact O-CD2 3.07Å; E1065-H1432 WeakPolarHBondContact CG-NE2 3.24Å; E1065-H1432 IonicContact OE1-NE2 3.47Å; E1065-H1432 IonicContact OE2-NE2 2.82Å; Q1428-H1432 PolarHBondContact O-N 2.9Å; Q1430-H1432 PolarHBondContact O-N 2.81Å; H1432-Y1434 PolarHBondContact O-N 2.86Å; H1432-E1435 IonicContact CE1-OE2 2.87Å; H1432-E1435 PolarHBondContact CE1-OE2 3.01Å; H1432-L1436 PolarHBondContact O-N 3.07Å |
| 1433 | R | 35.4 | Very low | 33.7 | Very low | 211 Ų | 211 | 136.8 Ų | 136.8 | 80% | 0.796 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -64 | -23.1 | 169.9 | -95.3 | -175.6 | 171.2 | 176.4 | -0.1 | 114.2 | Q1429 Q1430 R1431 | Q1429-R1433 PolarHBondContact O-N 3.24Å; Q1430-R1433 PolarHBondContact O-N 3.33Å; R1431-R1433 VanDerWaalsContact C-N 3.34Å; R1431-R1433 PolarHBondContact O-N 2.69Å |
| 1434 | Y | 34.4 | Very low | 33.5 | Very low | 158 Ų | 158 | 134.6 Ų | 134.6 | 62% | 0.62 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -85.4 | -41.9 | 179.5 | -154.3 | -105.3 | 0 | 0 | 0 | 111.8 | Q1430 R1431 H1432 R1437 | Q1430-Y1434 PolarHBondContact O-N 2.95Å; R1431-Y1434 WeakPolarHBondContact O-CA 3.27Å; R1431-Y1434 WeakPolarHBondContact O-CB 3.01Å; R1431-Y1434 PolarHBondContact O-N 2.96Å; H1432-Y1434 PolarHBondContact O-N 2.86Å; Y1434-R1437 PolarHBondContact O-N 3Å |
| 1435 | E | 35.5 | Very low | 33.2 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 50% | 0.5 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -64.5 | -40.5 | 178.9 | -69.4 | 175.9 | 165.1 | 0 | 0 | 112.4 | R1431 H1432 R1437 R1438 | R1431-E1435 PolarHBondContact O-N 2.96Å; H1432-E1435 IonicContact CE1-OE2 2.87Å; H1432-E1435 PolarHBondContact CE1-OE2 3.01Å; E1435-R1437 PolarHBondContact O-N 2.63Å; E1435-R1438 PolarHBondContact O-N 3.28Å |
| 1436 | L | 33.3 | Very low | 32.8 | Very low | 93 Ų | 93 | 140.9 Ų | 140.9 | 49% | 0.487 | 65% | 0.65 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.2 | -14.4 | 174.8 | -81.6 | 169.1 | 0 | 0 | 0 | 114.5 | H1432 | H1432-L1436 PolarHBondContact O-N 3.07Š|
| 1437 | R | 34.4 | Very low | 32.5 | Very low | 215 Ų | 215 | 145.4 Ų | 145.4 | 81% | 0.811 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -18.1 | 174.2 | -81.3 | -175.2 | 166.7 | -170.4 | -3.6 | 114.5 | Y1434 E1435 | Y1434-R1437 PolarHBondContact O-N 3Å; E1435-R1437 PolarHBondContact O-N 2.63Å |
| 1438 | R | 36.9 | Very low | 32.1 | Very low | 146 Ų | 146 | 148.5 Ų | 148.5 | 55% | 0.551 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -23.5 | -179.4 | -76.7 | -171.7 | 171 | -169.7 | -2.7 | 113.7 | E1435 R1440 | E1435-R1438 PolarHBondContact O-N 3.28Å; R1438-R1440 VanDerWaalsContact C-N 3.28Å; R1438-R1440 PolarHBondContact O-N 2.69Å |
| 1439 | K | 32.5 | Very low | 31.9 | Very low | 148 Ų | 148 | 149 Ų | 149 | 64% | 0.643 | 69% | 0.692 | S | S | * | * | trans | -79.2 | 52.5 | -179.7 | -60.4 | -177.4 | -176.4 | 176.8 | 0 | 113.9 | E1065 | E1065-K1439 IonicContact OE1-NZ 3.49Å; E1065-K1439 PolarHBondContact OE1-NZ 3.3Å; E1065-K1439 IonicContact OE2-NZ 3.09Å | ||
| 1440 | R | 28.7 | Very low | 31.8 | Very low | 214 Ų | 214 | 147.8 Ų | 147.8 | 81% | 0.808 | 70% | 0.695 | S | S | * | * | trans | -134.3 | 124.4 | 172.4 | -80 | -168.7 | 176 | -162.5 | -1.4 | 112.3 | R1438 L1442 | R1438-R1440 VanDerWaalsContact C-N 3.28Å; R1438-R1440 PolarHBondContact O-N 2.69Å; R1440-L1442 PolarHBondContact O-N 3.08Å | ||
| 1441 | P | 29.7 | Very low | 31.6 | Very low | 121 Ų | 121 | 145.5 Ų | 145.5 | 79% | 0.786 | 69% | 0.694 | S | S | * | * | trans | -70.8 | 117.9 | 169.8 | 29.2 | -32.4 | 0 | 0 | 0 | 109.9 | V1443 | P1441-V1443 PolarHBondContact O-N 2.91Å; P1441-V1443 VanDerWaalsContact O-N 3.16Å | ||
| 1442 | L | 28.4 | Very low | 31.5 | Very low | 161 Ų | 161 | 145.9 Ų | 145.9 | 84% | 0.843 | 71% | 0.714 | S | S | * | * | trans | -77 | 98.1 | 170.5 | -89 | 165.7 | 0 | 0 | 0 | 109.3 | R1440 V1444 | R1440-L1442 PolarHBondContact O-N 3.08Å; L1442-V1444 PolarHBondContact O-N 2.83Å | ||
| 1443 | V | 28 | Very low | 31.4 | Very low | 119 Ų | 119 | 148 Ų | 148 | 72% | 0.721 | 75% | 0.747 | S | S | * | * | trans | -68.7 | 94.9 | 169.3 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | P1441 Q1445 | P1441-V1443 PolarHBondContact O-N 2.91Å; P1441-V1443 VanDerWaalsContact O-N 3.16Å; V1443-Q1445 VanDerWaalsContact C-N 3.32Å; V1443-Q1445 HydrophobicContact CG1-CG 4.18Å; V1443-Q1445 PolarHBondContact O-N 3.18Å | ||
| 1444 | V | 29.7 | Very low | 31.4 | Very low | 124 Ų | 124 | 143.2 Ų | 143.2 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | trans | -74.4 | 86.7 | 173.6 | -176.6 | 0 | 0 | 0 | 0 | 108.7 | L1442 N1446 | L1442-V1444 PolarHBondContact O-N 2.83Å; V1444-N1446 PolarHBondContact O-N 3.24Å | ||
| 1445 | Q | 28.9 | Very low | 31.4 | Very low | 169 Ų | 169 | 139.7 Ų | 139.7 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | trans | -70.6 | 117.5 | 166.4 | -80.4 | -172.6 | -23.8 | 0 | 0 | 109.5 | V1443 R1447 | V1443-Q1445 VanDerWaalsContact C-N 3.32Å; V1443-Q1445 HydrophobicContact CG1-CG 4.18Å; V1443-Q1445 PolarHBondContact O-N 3.18Å; Q1445-R1447 PolarHBondContact O-N 3Å | ||
| 1446 | N | 27.8 | Very low | 31.3 | Very low | 153 Ų | 153 | 142.1 Ų | 142.1 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -56.6 | 124.1 | 166.4 | -78.4 | -22.4 | 0 | 0 | 0 | 110.1 | V1444 | V1444-N1446 PolarHBondContact O-N 3.24Š| ||
| 1447 | R | 28 | Very low | 31.3 | Very low | 237 Ų | 237 | 142.2 Ų | 142.2 | 89% | 0.894 | 78% | 0.775 | S | S | * | * | trans | -141.3 | 111.3 | 160.6 | -124.3 | 177.2 | -177.3 | -176.9 | -0.3 | 110.3 | Q1445 | Q1445-R1447 PolarHBondContact O-N 3Š| ||
| 1448 | L | 28.7 | Very low | 31.2 | Very low | 160 Ų | 160 | 141.2 Ų | 141.2 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | trans | -62.7 | 135.2 | 167 | -69.4 | 104.4 | 0 | 0 | 0 | 109 | V1450 | L1448-V1450 PolarHBondContact O-N 3Š| ||
| 1449 | V | 30.1 | Very low | 31 | Very low | 147 Ų | 147 | 138.4 Ų | 138.4 | 89% | 0.891 | 79% | 0.788 | S | S | * | * | trans | -90.7 | 99 | 166.2 | 179.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1450 | V | 31.5 | Very low | 31.1 | Very low | 126 Ų | 126 | 136.1 Ų | 136.1 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | trans | -104.8 | 136.4 | 160.8 | 179.7 | 0 | 0 | 0 | 0 | 107.1 | L1448 | L1448-V1450 PolarHBondContact O-N 3Š| ||
| 1451 | S | 32.9 | Very low | 31.3 | Very low | 96 Ų | 96 | 133.1 Ų | 133.1 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | trans | -82.3 | 146.3 | -169.5 | 50.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 1452 | S | 32.7 | Very low | 31.6 | Very low | 120 Ų | 120 | 135.3 Ų | 135.3 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | 57.5 | 117.3 | 152.2 | 59.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1453 | G | 32.7 | Very low | 31.8 | Very low | 84 Ų | 84 | 131.9 Ų | 131.9 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | trans | 175.5 | 147.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1454 | S | 33.8 | Very low | 32.1 | Very low | 109 Ų | 109 | 132.2 Ų | 132.2 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -119.1 | 169.6 | -168.5 | 64.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 1455 | S | 35.7 | Very low | 32.1 | Very low | 84 Ų | 84 | 137.8 Ų | 137.8 | 59% | 0.587 | 81% | 0.805 | S | S | * | * | trans | 69.5 | 100.5 | 145.8 | 51.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1456 | D | 32.2 | Very low | 32.2 | Very low | 159 Ų | 159 | 136.5 Ų | 136.5 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | 80.1 | 153.2 | 116.2 | -47.8 | -30.3 | 0 | 0 | 0 | 123.3 | |||||
| 1457 | A | 34.9 | Very low | 32.4 | Very low | 95 Ų | 95 | 135 Ų | 135 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | 64.8 | 123.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1458 | E | 30.5 | Very low | 32.3 | Very low | 193 Ų | 193 | 130.4 Ų | 130.4 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | cis | 91.7 | 152.1 | 36.6 | -67.8 | -158 | 144.8 | 0 | 0 | 115.5 | ||||
| 1459 | A | 34.4 | Very low | 32.4 | Very low | 88 Ų | 88 | 131 Ų | 131 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | 69.8 | 123.6 | -166.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1460 | S | 33.4 | Very low | 32.3 | Very low | 99 Ų | 99 | 133.2 Ų | 133.2 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | cis | 70 | 132.8 | 44.5 | 82.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1461 | D | 33.9 | Very low | 32.2 | Very low | 152 Ų | 152 | 132 Ų | 132 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | cis | -157.1 | 159.9 | -1.9 | -102.1 | -29.5 | 0 | 0 | 0 | 107.5 | ||||
| 1462 | D | 35.1 | Very low | 31.9 | Very low | 167 Ų | 167 | 133.3 Ų | 133.3 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | -171.5 | 157.1 | 118.9 | -131.2 | -35.7 | 0 | 0 | 0 | 113.6 | |||||
| 1463 | A | 32.1 | Very low | 31.7 | Very low | 88 Ų | 88 | 137 Ų | 137 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | -107.1 | 151.1 | -162.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1464 | S | 34.5 | Very low | 31.5 | Very low | 126 Ų | 126 | 136.4 Ų | 136.4 | 88% | 0.881 | 80% | 0.797 | S | S | * | * | trans | -147.5 | 149 | 141.2 | 60.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1465 | R | 30.4 | Very low | 31.2 | Very low | 241 Ų | 241 | 137.5 Ų | 137.5 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | trans | -97.9 | 132.3 | -164.3 | -68.2 | 166.9 | 164 | 153 | -8.8 | 113.3 | ||||
| 1466 | V | 30.8 | Very low | 30.9 | Very low | 142 Ų | 142 | 136.5 Ų | 136.5 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | trans | -139.2 | 136 | 137.8 | -176.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1467 | T | 31.2 | Very low | 30.7 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | -81.4 | 125.2 | -178.9 | 45.3 | 0 | 0 | 0 | 0 | 112.4 | H1469 | T1467-H1469 PolarHBondContact O-N 2.75Š| ||
| 1468 | V | 27.2 | Very low | 30.4 | Very low | 139 Ų | 139 | 137.1 Ų | 137.1 | 84% | 0.842 | 76% | 0.755 | S | S | * | * | trans | -81.1 | 114.8 | 171.7 | 177.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1469 | H | 30.9 | Very low | 30.3 | Very low | 173 Ų | 173 | 132.6 Ų | 132.6 | 80% | 0.801 | 73% | 0.733 | S | S | * | * | trans | -81.3 | 131.2 | 161.3 | -99.6 | -81.5 | 0 | 0 | 0 | 109.9 | T1467 S1471 | T1467-H1469 PolarHBondContact O-N 2.75Å; H1469-S1471 PolarHBondContact O-N 3.27Å | ||
| 1470 | Q | 26.7 | Very low | 30.1 | Very low | 193 Ų | 193 | 134.5 Ų | 134.5 | 90% | 0.902 | 74% | 0.735 | S | S | * | * | trans | -65.8 | 129.5 | 168.4 | -68 | 173.1 | -35.3 | 0 | 0 | 109.6 | ||||
| 1471 | S | 30.1 | Very low | 30 | Very low | 102 Ų | 102 | 137 Ų | 137 | 71% | 0.713 | 73% | 0.729 | S | S | * | * | trans | -136.9 | 125.8 | 164 | 69.4 | 0 | 0 | 0 | 0 | 109.9 | H1469 R1473 | H1469-S1471 PolarHBondContact O-N 3.27Å; S1471-R1473 PolarHBondContact O-N 2.95Å | ||
| 1472 | S | 27.8 | Very low | 29.7 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 86% | 0.86 | 71% | 0.713 | S | S | * | * | trans | -89.1 | 98.6 | -179.7 | 50.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1473 | R | 28.6 | Very low | 29.5 | Very low | 198 Ų | 198 | 133.3 Ų | 133.3 | 75% | 0.747 | 69% | 0.692 | S | S | * | * | trans | -97.8 | 93.4 | 166.3 | -76.7 | -171.4 | 170.5 | 161.4 | 4.7 | 110 | D819 S1471 | D819-R1473 IonicContact OD2-CZ 3.11Å; D819-R1473 IonicContact OD2-NH1 3.05Å; D819-R1473 PolarHBondContact OD2-NH1 2.79Å; S1471-R1473 PolarHBondContact O-N 2.95Å | ||
| 1474 | G | 27.6 | Very low | 29.4 | Very low | 71 Ų | 71 | 135.9 Ų | 135.9 | 73% | 0.732 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 128.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 1475 | R | 27.3 | Very low | 28.9 | Very low | 131 Ų | 131 | 138.8 Ų | 138.8 | 49% | 0.494 | 70% | 0.696 | S | S | . | * | P | Polyproline II helix | trans | -74.9 | 126.2 | -179.7 | -72.2 | -176.5 | 158.2 | 174 | 0.9 | 111.8 | S820 E821 E822 | S820-R1475 PolarHBondContact O-NE 2.7Å; S820-R1475 PolarHBondContact O-NH2 3.24Å; E821-R1475 HydrophobicContact CG-CG 4.31Å; E821-R1475 VanDerWaalsContact OE1-CB 3.28Å; E821-R1475 WeakPolarHBondContact OE1-CB 3.41Å; E821-R1475 VanDerWaalsContact OE1-CG 3.26Å; E821-R1475 WeakPolarHBondContact OE1-CG 3.41Å; E821-R1475 VanDerWaalsContact OE2-CD 3.27Å; E821-R1475 WeakPolarHBondContact OE2-CD 2.92Å; E821-R1475 IonicContact OE2-NE 3.21Å; E822-R1475 IonicContact OE2-CZ 3.77Å; E822-R1475 IonicContact OE2-NH1 2.66Å; E822-R1475 PolarHBondContact OE2-NH1 3.46Å; E822-R1475 IonicContact OE2-NH2 3.98Å; E822-R1475 PolarHBondContact OE2-NH2 2.89Å |
| 1476 | P | 29.6 | Very low | 28.7 | Very low | 63 Ų | 63 | 136.2 Ų | 136.2 | 41% | 0.409 | 71% | 0.714 | S | S | . | * | P | Polyproline II helix | trans | -82.7 | 119.4 | 173.2 | 31.3 | -30.9 | 0 | 0 | 0 | 111.4 | D934 R1478 | D934-P1476 HydrophobicContact CB-CG 3.95Å; P1476-R1478 PolarHBondContact O-N 3.05Å |
| 1477 | I | 27.5 | Very low | 28.6 | Very low | 138 Ų | 138 | 135.9 Ų | 135.9 | 71% | 0.708 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 128.5 | -178.1 | -62.7 | 168.4 | 0 | 0 | 0 | 111.2 | K1479 | I1477-K1479 PolarHBondContact O-N 3.44Š|
| 1478 | R | 28.9 | Very low | 28.5 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 49% | 0.487 | 70% | 0.704 | S | S | . | * | trans | -76.2 | 86.8 | 176.9 | -74.4 | -176.3 | 172.2 | 160.3 | 3.4 | 112.3 | P1476 V1480 | P1476-R1478 PolarHBondContact O-N 3.05Å; R1478-V1480 PolarHBondContact O-N 2.78Å; R1478-V1480 VanDerWaalsContact O-N 3.08Å | ||
| 1479 | K | 29.7 | Very low | 28.5 | Very low | 99 Ų | 99 | 136.4 Ų | 136.4 | 43% | 0.43 | 70% | 0.697 | S | S | . | * | trans | -60.7 | 109.8 | 162.5 | -76.2 | -175 | 175.4 | -175.9 | 0 | 109.9 | D659 N1001 I1477 | D659-K1479 WeakPolarHBondContact OD2-CE 3.36Å; D659-K1479 IonicContact OD2-NZ 2.82Å; D659-K1479 PolarHBondContact OD2-NZ 3.28Å; N1001-K1479 PolarHBondContact OD1-NZ 2.85Å; I1477-K1479 PolarHBondContact O-N 3.44Å | ||
| 1480 | V | 29.6 | Very low | 28.4 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 78% | 0.776 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 133.4 | 170.6 | 176.8 | 0 | 0 | 0 | 0 | 109.1 | R1478 R1482 | R1478-V1480 PolarHBondContact O-N 2.78Å; R1478-V1480 VanDerWaalsContact O-N 3.08Å; V1480-R1482 PolarHBondContact O-N 2.93Å |
| 1481 | R | 30.1 | Very low | 28.5 | Very low | 150 Ų | 150 | 130.6 Ų | 130.6 | 57% | 0.566 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 117.9 | 177.1 | -70.1 | -179.1 | 175.9 | 167.7 | -1.6 | 110.9 | ||
| 1482 | R | 29 | Very low | 28.4 | Very low | 127 Ų | 127 | 132.5 Ų | 132.5 | 48% | 0.479 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -76.8 | 150.1 | 146.5 | -81.4 | -166 | -177.1 | 125.9 | 22.7 | 109.2 | D660 V1480 | D660-R1482 IonicContact OD1-CZ 3.5Å; D660-R1482 IonicContact OD1-NH1 3.42Å; D660-R1482 PolarHBondContact OD1-NH1 3.06Å; D660-R1482 IonicContact OD1-NH2 2.74Å; D660-R1482 PolarHBondContact OD1-NH2 2.82Å; D660-R1482 IonicContact OD2-CZ 3.54Å; D660-R1482 IonicContact OD2-NH1 2.73Å; D660-R1482 IonicContact OD2-NH2 3.49Å; D660-R1482 PolarHBondContact OD2-NH2 2.76Å; V1480-R1482 PolarHBondContact O-N 2.93Å |
| 1483 | Y | 30.5 | Very low | 28.4 | Very low | 115 Ų | 115 | 133.2 Ų | 133.2 | 45% | 0.451 | 66% | 0.662 | S | S | . | * | trans | -104.7 | 124.7 | 158.8 | -96.2 | -96.9 | 0 | 0 | 0 | 106.3 | D892 | D892-Y1483 HydrophobicContact CB-CD2 4.5Å; D892-Y1483 HydrophobicContact CB-CE2 3.65Å; D892-Y1483 PolarHBondContact O-OH 3.49Å | ||
| 1484 | D | 28.9 | Very low | 28.4 | Very low | 142 Ų | 142 | 128.2 Ų | 128.2 | 76% | 0.759 | 66% | 0.655 | S | S | * | * | trans | -73.8 | 145.1 | 163.8 | -69.6 | -44 | 0 | 0 | 0 | 109.7 | ||||
| 1485 | M | 24.8 | Very low | 28.5 | Very low | 188 Ų | 188 | 133 Ų | 133 | 93% | 0.926 | 65% | 0.649 | S | S | * | * | trans | -137.6 | 75.8 | 165.6 | -72.4 | -153 | -45.9 | 0 | 0 | 109.6 | ||||
| 1486 | S | 26.1 | Very low | 28.6 | Very low | 186 Ų | 186 | 133.2 Ų | 133.2 | 100% | 1.301 | 66% | 0.663 | S | S | * | * | trans | -147.4 | 0 | 162.8 | 64.3 | 0 | 0 | 0 | 0 | 109.4 |
Retrieved 1,486 of 1,486 residues in 1237.7 ms
(Link to these results)