| 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 | 48.4 | Very low | 46.1 | Very low | 230 Ų | 230 | 152.9 Ų | 152.9 | 100% | 1.133 | 84% | 0.842 | S | S | * | * | 0 | 91.3 | 0 | -57.9 | -165.1 | -166.5 | 0 | 0 | 106.5 | |||||
| 2 | T | 43.7 | Very low | 46.2 | Very low | 125 Ų | 125 | 148.6 Ų | 148.6 | 77% | 0.767 | 84% | 0.841 | S | S | * | * | 57 | 125.5 | 97 | 51.6 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 3 | L | 46.2 | Very low | 46.1 | Very low | 156 Ų | 156 | 151.8 Ų | 151.8 | 82% | 0.817 | 85% | 0.845 | S | S | * | * | cis | -165.7 | 142.6 | 1 | -101.3 | 162.2 | 0 | 0 | 0 | 106.9 | ||||
| 4 | N | 39.8 | Very low | 45.7 | Very low | 153 Ų | 153 | 149.5 Ų | 149.5 | 82% | 0.818 | 84% | 0.842 | S | S | * | * | trans | -67.7 | 146.9 | 157 | -80.4 | -25.5 | 0 | 0 | 0 | 110.2 | ||||
| 5 | T | 47.7 | Very low | 45.7 | Very low | 138 Ų | 138 | 151.5 Ų | 151.5 | 85% | 0.847 | 84% | 0.842 | S | S | * | * | trans | 172.3 | 153.2 | 149.3 | 36.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 6 | C | 45.1 | Very low | 45.5 | Very low | 115 Ų | 115 | 150.3 Ų | 150.3 | 78% | 0.777 | 84% | 0.84 | S | S | * | * | cis | -175 | 159.7 | -20 | -154.7 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 7 | N | 43.8 | Very low | 45.8 | Very low | 138 Ų | 138 | 146.1 Ų | 146.1 | 74% | 0.738 | 82% | 0.818 | S | S | * | * | trans | -48.3 | 148.3 | 176.2 | -68.1 | -32.7 | 0 | 0 | 0 | 115.7 | ||||
| 8 | E | 46.5 | Very low | 46.3 | Very low | 196 Ų | 196 | 143.9 Ų | 143.9 | 92% | 0.916 | 81% | 0.811 | S | S | * | * | trans | -136.6 | 104 | 142.1 | -81.2 | -167 | 158.7 | 0 | 0 | 111 | ||||
| 9 | S | 47.7 | Very low | 46.8 | Very low | 107 Ų | 107 | 143.5 Ų | 143.5 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | trans | -76 | 120.8 | 166.2 | -54.5 | 0 | 0 | 0 | 0 | 108.9 | S11 | S9-S11 PolarHBondContact O-N 3.12Š| ||
| 10 | K | 47.3 | Very low | 47.5 | Very low | 214 Ų | 214 | 139.2 Ų | 139.2 | 93% | 0.93 | 79% | 0.787 | S | S | * | * | trans | -71.6 | 94.7 | 169.5 | -72.9 | 179.9 | 175.9 | 179.3 | 0 | 109.8 | ||||
| 11 | S | 51.1 | Low | 48.2 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -70.5 | 126.7 | 162.9 | 49.6 | 0 | 0 | 0 | 0 | 109.7 | S9 E13 | S9-S11 PolarHBondContact O-N 3.12Å; S11-E13 PolarHBondContact O-N 2.95Å | ||
| 12 | A | 47.7 | Very low | 49.2 | Very low | 101 Ų | 101 | 130.7 Ų | 130.7 | 84% | 0.835 | 75% | 0.747 | S | S | * | * | trans | -58.9 | 126.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | C14 | A12-C14 PolarHBondContact O-N 3.49Å; A12-C14 VanDerWaalsContact O-N 3.12Å | ||
| 13 | E | 44.1 | Very low | 50.4 | Low | 190 Ų | 190 | 128 Ų | 128 | 89% | 0.888 | 74% | 0.738 | S | S | * | * | trans | -60.6 | 108.8 | 166.1 | -74.6 | 178.3 | 143.3 | 0 | 0 | 108.9 | S11 E15 | S11-E13 PolarHBondContact O-N 2.95Å; E13-E15 PolarHBondContact O-N 3.29Å | ||
| 14 | C | 41 | Very low | 51.6 | Low | 120 Ų | 120 | 124.5 Ų | 124.5 | 81% | 0.811 | 72% | 0.719 | S | S | * | * | trans | -73.7 | 106 | 164.9 | -125.5 | 0 | 0 | 0 | 0 | 107.1 | A12 V16 | A12-C14 PolarHBondContact O-N 3.49Å; A12-C14 VanDerWaalsContact O-N 3.12Å; C14-V16 PolarHBondContact O-N 2.93Å | ||
| 15 | E | 45.1 | Very low | 53.1 | Low | 179 Ų | 179 | 117.2 Ų | 117.2 | 84% | 0.836 | 68% | 0.68 | S | S | * | * | trans | -55.9 | 110.9 | 170.9 | -72.9 | -171.6 | 158 | 0 | 0 | 110 | E13 V17 | E13-E15 PolarHBondContact O-N 3.29Å; E15-V17 PolarHBondContact O-N 2.84Å | ||
| 16 | V | 42.3 | Very low | 54.6 | Low | 133 Ų | 133 | 112.2 Ų | 112.2 | 81% | 0.806 | 65% | 0.651 | S | S | * | * | trans | -72.5 | 96.4 | 175.2 | -179.3 | 0 | 0 | 0 | 0 | 108 | C14 P18 | C14-V16 PolarHBondContact O-N 2.93Å; V16-P18 VanDerWaalsContact O-CD 3.26Å; V16-P18 WeakPolarHBondContact O-CD 3.27Å | ||
| 17 | V | 51.8 | Low | 56.2 | Low | 78 Ų | 78 | 111.9 Ų | 111.9 | 47% | 0.473 | 65% | 0.649 | S | S | . | * | trans | -61.9 | 115.9 | 172.3 | 176.9 | 0 | 0 | 0 | 0 | 109.1 | E15 T19 | E15-V17 PolarHBondContact O-N 2.84Å; V17-T19 PolarHBondContact O-N 2.76Å; V17-T19 VanDerWaalsContact O-N 3.12Å | ||
| 18 | P | 53.9 | Low | 58.6 | Low | 107 Ų | 107 | 108.8 Ų | 108.8 | 70% | 0.695 | 63% | 0.629 | S | S | * | * | trans | -66.3 | 117.5 | -178.6 | 23.1 | -29.6 | 0 | 0 | 0 | 110.1 | V16 L20 | V16-P18 VanDerWaalsContact O-CD 3.26Å; V16-P18 WeakPolarHBondContact O-CD 3.27Å; P18-L20 PolarHBondContact O-N 3.16Å | ||
| 19 | T | 57.1 | Low | 60.9 | Low | 137 Ų | 137 | 99.5 Ų | 99.5 | 84% | 0.84 | 59% | 0.586 | S | S | * | * | trans | -75.1 | 104.5 | 174.5 | -60.7 | 0 | 0 | 0 | 0 | 108.3 | V17 | V17-T19 PolarHBondContact O-N 2.76Å; V17-T19 VanDerWaalsContact O-N 3.12Å | ||
| 20 | L | 59.8 | Low | 63.1 | Low | 56 Ų | 56 | 96.6 Ų | 96.6 | 29% | 0.293 | 57% | 0.568 | S | S | . | * | trans | -65.7 | 134 | 177.9 | -77 | 162.8 | 0 | 0 | 0 | 111 | P18 I24 L56 Y58 | P18-L20 PolarHBondContact O-N 3.16Å; L20-I24 HydrophobicContact CD2-CG2 4.36Å; L20-L56 HydrophobicContact CD1-CD2 4Å; L20-Y58 HydrophobicContact CD1-CE1 3.83Å; L20-Y58 WeakPolarHBondContact CD1-OH 3.44Å | ||
| 21 | I | 63.1 | Low | 65.5 | Low | 109 Ų | 109 | 87.3 Ų | 87.3 | 56% | 0.559 | 53% | 0.529 | S | S | * | . | trans | -59.8 | 131.1 | 173 | -59.1 | 170.4 | 0 | 0 | 0 | 108.7 | A23 I24 A25 | I21-A23 HydrophobicContact CG2-CB 4.31Å; I21-A23 PolarHBondContact O-N 3.33Å; I21-I24 HydrophobicContact CB-CD1 4.25Å; I21-I24 HydrophobicContact CB-CG1 4.42Å; I21-I24 HydrophobicContact CD1-CD1 4.41Å; I21-I24 PolarHBondContact O-N 2.77Å; I21-A25 PolarHBondContact O-N 2.81Å | ||
| 22 | P | 68.4 | Low | 67.5 | Low | 82 Ų | 82 | 83.5 Ų | 83.5 | 53% | 0.532 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -51.8 | -32.1 | -175.6 | -30.5 | 35.1 | 0 | 0 | 0 | 115.1 | A25 S26 | P22-A25 PolarHBondContact O-N 3.18Å; P22-S26 PolarHBondContact O-N 2.88Å |
| 23 | A | 69.3 | Low | 69.9 | Low | 69 Ų | 69 | 81.8 Ų | 81.8 | 57% | 0.57 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.5 | -43.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I21 S26 C27 | I21-A23 HydrophobicContact CG2-CB 4.31Å; I21-A23 PolarHBondContact O-N 3.33Å; A23-S26 WeakPolarHBondContact O-CB 3.46Å; A23-S26 PolarHBondContact O-N 2.65Å; A23-C27 PolarHBondContact O-N 3.39Å |
| 24 | I | 71.5 | Confident | 72.3 | Confident | 82 Ų | 82 | 76.9 Ų | 76.9 | 42% | 0.421 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -69 | -43.3 | 179.6 | -59 | 174.4 | 0 | 0 | 0 | 109.9 | L20 I21 S26 C27 K28 | L20-I24 HydrophobicContact CD2-CG2 4.36Å; I21-I24 HydrophobicContact CB-CD1 4.25Å; I21-I24 HydrophobicContact CB-CG1 4.42Å; I21-I24 HydrophobicContact CD1-CD1 4.41Å; I21-I24 PolarHBondContact O-N 2.77Å; I24-S26 VanDerWaalsContact C-N 3.26Å; I24-S26 PolarHBondContact O-N 3.45Å; I24-C27 PolarHBondContact O-N 3.14Å; I24-C27 VanDerWaalsContact O-N 3.14Å; I24-K28 PolarHBondContact O-N 3.3Å |
| 25 | A | 71.9 | Confident | 75 | Confident | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -60.9 | -36.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | I21 P22 C27 K28 V29 L133 | I21-A25 PolarHBondContact O-N 2.81Å; P22-A25 PolarHBondContact O-N 3.18Å; A25-C27 VanDerWaalsContact C-N 3.33Å; A25-C27 PolarHBondContact O-N 3.12Å; A25-K28 PolarHBondContact O-N 2.75Å; A25-V29 WeakPolarHBondContact O-CG2 3.27Å; A25-V29 PolarHBondContact O-N 3.08Å; A25-L133 HydrophobicContact CB-CD1 3.76Å; A25-L133 HydrophobicContact CB-CD2 4.03Å; A25-L133 HydrophobicContact CB-CG 3.69Å |
| 26 | S | 78.5 | Confident | 77.4 | Confident | 34 Ų | 34 | 68.6 Ų | 68.6 | 24% | 0.238 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -61.1 | -38.2 | 175.1 | -171.3 | 0 | 0 | 0 | 0 | 112.5 | P22 A23 I24 K28 V29 K136 | P22-S26 PolarHBondContact O-N 2.88Å; A23-S26 WeakPolarHBondContact O-CB 3.46Å; A23-S26 PolarHBondContact O-N 2.65Å; I24-S26 VanDerWaalsContact C-N 3.26Å; I24-S26 PolarHBondContact O-N 3.45Å; S26-K28 PolarHBondContact O-N 3.16Å; S26-V29 PolarHBondContact O-N 2.89Å; S26-K136 VanDerWaalsContact O-CE 3.23Å; S26-K136 WeakPolarHBondContact O-CE 3.39Å; S26-K136 PolarHBondContact O-NZ 2.97Å; S26-K136 PolarHBondContact OG-NZ 3.05Å; S26-K136 VanDerWaalsContact OG-NZ 3.08Å |
| 27 | C | 79.4 | Confident | 80 | Confident | 107 Ų | 107 | 66.7 Ų | 66.7 | 72% | 0.723 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -69.4 | -31.4 | -178.3 | -66.3 | 0 | 0 | 0 | 0 | 113.4 | A23 I24 A25 | A23-C27 PolarHBondContact O-N 3.39Å; I24-C27 PolarHBondContact O-N 3.14Å; I24-C27 VanDerWaalsContact O-N 3.14Å; A25-C27 VanDerWaalsContact C-N 3.33Å; A25-C27 PolarHBondContact O-N 3.12Å |
| 28 | K | 92.9 | Very high | 82.1 | Confident | 73 Ų | 73 | 63 Ų | 63 | 32% | 0.317 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -84.2 | -7.9 | -179 | -68.3 | -174.2 | 170.3 | -166 | 0 | 114.2 | I24 A25 S26 Q55 L56 | I24-K28 PolarHBondContact O-N 3.3Å; A25-K28 PolarHBondContact O-N 2.75Å; S26-K28 PolarHBondContact O-N 3.16Å; K28-Q55 HydrophobicContact CB-CB 4.18Å; K28-Q55 VanDerWaalsContact O-CB 3.26Å; K28-Q55 WeakPolarHBondContact O-CB 3.49Å; K28-Q55 PolarHBondContact O-N 2.92Å; K28-L56 HydrophobicContact CB-CD2 3.89Å; K28-L56 HydrophobicContact CB-CG 3.88Å; K28-L56 HydrophobicContact CD-CD2 3.44Å; K28-L56 VanDerWaalsContact CD-CD2 3.44Å; K28-L56 HydrophobicContact CD-CG 4.2Å; K28-L56 HydrophobicContact CG-CD2 4.28Å |
| 29 | V | 94.5 | Very high | 84.1 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.012 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 127.7 | 175.3 | -176.9 | 0 | 0 | 0 | 0 | 108.7 | A25 S26 T53 L56 L60 F112 K136 | A25-V29 WeakPolarHBondContact O-CG2 3.27Å; A25-V29 PolarHBondContact O-N 3.08Å; S26-V29 PolarHBondContact O-N 2.89Å; V29-T53 WeakPolarHBondContact CA-O 3.48Å; V29-L56 HydrophobicContact CG2-CD1 3.94Å; V29-L60 HydrophobicContact CG1-CD1 4.44Å; V29-L60 HydrophobicContact CG2-CD1 3.32Å; V29-F112 HydrophobicContact CG1-CD1 4.13Å; V29-F112 HydrophobicContact CG1-CD2 4.07Å; V29-F112 HydrophobicContact CG1-CE1 3.87Å; V29-F112 HydrophobicContact CG1-CE2 3.8Å; V29-F112 HydrophobicContact CG1-CG 4.23Å; V29-F112 HydrophobicContact CG1-CZ 3.7Å; V29-K136 WeakPolarHBondContact O-CE 3.47Å; V29-K136 PolarHBondContact O-NZ 3Å |
| 30 | A | 95.3 | Very high | 85.9 | Confident | 45 Ų | 45 | 54.4 Ų | 54.4 | 37% | 0.372 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 142.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | I52 T53 | A30-I52 CarbonylContact O-C 3.58Å; A30-I52 WeakPolarHBondContact O-CA 3.36Å; A30-T53 PolarHBondContact N-O 2.92Å; A30-T53 PolarHBondContact O-N 3.44Å |
| 31 | V | 96.7 | Very high | 87.5 | Confident | 19 Ų | 19 | 51.9 Ų | 51.9 | 12% | 0.115 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 117.1 | 169.7 | -169.2 | 0 | 0 | 0 | 0 | 107.8 | I50 V51 I52 F110 F112 K136 I138 | V31-I50 HydrophobicContact CG1-CD1 4.25Å; V31-V51 WeakPolarHBondContact CA-O 3.39Å; V31-I52 HydrophobicContact CG1-CG1 3.95Å; V31-I52 HydrophobicContact CG2-CG1 4.11Å; V31-I52 HydrophobicContact CG2-CG2 4.39Å; V31-F110 HydrophobicContact CG1-CD2 4.25Å; V31-F110 HydrophobicContact CG1-CE2 4.16Å; V31-F110 HydrophobicContact CG1-CZ 4.39Å; V31-F110 HydrophobicContact CG2-CG 4.45Å; V31-F112 HydrophobicContact CG2-CE2 3.93Å; V31-F112 HydrophobicContact CG2-CZ 3.68Å; V31-K136 HydrophobicContact CB-CB 4.25Å; V31-K136 HydrophobicContact CG2-CB 3.77Å; V31-K136 HydrophobicContact CG2-CG 3.97Å; V31-I138 HydrophobicContact CG1-CD1 3.69Å; V31-I138 HydrophobicContact CG1-CG1 4.27Å |
| 32 | G | 94 | Very high | 88.9 | Confident | 31 Ų | 31 | 49.7 Ų | 49.7 | 32% | 0.32 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 145.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I50 V51 | G32-I50 CarbonylContact O-C 3.59Å; G32-I50 WeakPolarHBondContact O-CA 3.42Å; G32-I50 WeakPolarHBondContact O-CB 3.38Å; G32-V51 PolarHBondContact N-O 3.49Å; G32-V51 PolarHBondContact O-N 3.4Å |
| 33 | P | 96.8 | Very high | 89.9 | Confident | 64 Ų | 64 | 51.9 Ų | 51.9 | 42% | 0.416 | 30% | 0.303 | S | S | . | . | cis | -73.4 | 153.8 | -6.4 | 31.4 | -38.5 | 0 | 0 | 0 | 113.3 | K35 V36 I138 | P33-K35 PolarHBondContact O-N 2.94Å; P33-V36 HydrophobicContact CG-CG1 3.7Å; P33-I138 WeakPolarHBondContact O-CD1 3.41Å | ||
| 34 | S | 95.5 | Very high | 91.1 | Very high | 88 Ų | 88 | 51.1 Ų | 51.1 | 62% | 0.615 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -71.4 | -16.9 | 176.6 | 60.3 | 0 | 0 | 0 | 0 | 113.8 | I138 R139 | S34-I138 WeakPolarHBondContact O-CA 3.11Å; S34-R139 PolarHBondContact O-N 2.89Å |
| 35 | K | 96.8 | Very high | 92.2 | Very high | 118 Ų | 118 | 51 Ų | 51 | 51% | 0.513 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 133.8 | 177.8 | -177.9 | -177.2 | 173.1 | -174.3 | 0 | 109.9 | P33 R139 K141 | P33-K35 PolarHBondContact O-N 2.94Å; K35-R139 CarbonylContact C-O 3.43Å; K35-R139 VanDerWaalsContact CA-O 3.28Å; K35-R139 WeakPolarHBondContact CA-O 3.26Å; K35-R139 HydrophobicContact CG-CB 4.5Å; K35-K141 VanDerWaalsContact CE-CD 3.47Å; K35-K141 VanDerWaalsContact CE-CE 3.47Å |
| 36 | V | 96.5 | Very high | 93.3 | Very high | 7 Ų | 7 | 52.2 Ų | 52.2 | 4% | 0.042 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 145.3 | 174.7 | -64.2 | 0 | 0 | 0 | 0 | 110.8 | P33 K48 I91 I138 R139 V140 K141 | P33-V36 HydrophobicContact CG-CG1 3.7Å; V36-K48 HydrophobicContact CG1-CB 4.3Å; V36-I91 HydrophobicContact CG1-CD1 4.11Å; V36-I91 HydrophobicContact CG2-CD1 4.01Å; V36-I138 HydrophobicContact CG1-CG2 4.12Å; V36-I138 HydrophobicContact CG2-CG2 3.93Å; V36-R139 PolarHBondContact N-O 3.37Å; V36-V140 HydrophobicContact CG2-CB 4.15Å; V36-V140 HydrophobicContact CG2-CG1 4.15Å; V36-V140 HydrophobicContact CG2-CG2 3.68Å; V36-K141 PolarHBondContact O-N 2.96Å |
| 37 | L | 95.9 | Very high | 94.2 | Very high | 93 Ų | 93 | 53 Ų | 53 | 49% | 0.487 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 122.3 | 170.6 | -178.2 | 67.5 | 0 | 0 | 0 | 108.4 | K141 | L37-K141 WeakPolarHBondContact CA-O 3.33Å; L37-K141 HydrophobicContact CD1-CB 4Å |
| 38 | L | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 139.3 | 178 | -62.3 | 175 | 0 | 0 | 0 | 110.3 | P40 K48 L72 I91 L93 V140 K141 Y142 S143 | L38-P40 WeakPolarHBondContact O-CD 3.41Å; L38-K48 HydrophobicContact CD2-CB 4.16Å; L38-K48 HydrophobicContact CD2-CG 3.61Å; L38-L72 HydrophobicContact CD1-CD1 3.72Å; L38-I91 HydrophobicContact CD1-CG2 3.84Å; L38-L93 HydrophobicContact CB-CB 4.47Å; L38-L93 HydrophobicContact CB-CD2 4.19Å; L38-L93 HydrophobicContact CD1-CB 3.92Å; L38-V140 HydrophobicContact CD1-CG1 3.67Å; L38-V140 HydrophobicContact CG-CG1 4.21Å; L38-K141 PolarHBondContact N-O 3.35Å; L38-Y142 HydrophobicContact CB-CD1 4.22Å; L38-Y142 HydrophobicContact CB-CE1 4.36Å; L38-Y142 VanDerWaalsContact O-CA 3.32Å; L38-Y142 WeakPolarHBondContact O-CA 3.31Å; L38-S143 PolarHBondContact O-N 3.49Å; L38-S143 VanDerWaalsContact O-N 3.14Å |
| 39 | N | 94.9 | Very high | 95.2 | Very high | 64 Ų | 64 | 53.4 Ų | 53.4 | 34% | 0.342 | 32% | 0.317 | S | S | . | . | trans | -89.5 | 109.3 | 173.6 | -63.8 | -12.1 | 0 | 0 | 0 | 110.2 | S46 S143 E147 | N39-S46 PolarHBondContact N-OG 3.02Å; N39-S46 WeakPolarHBondContact O-CB 3.41Å; N39-S143 WeakPolarHBondContact OD1-CB 3.31Å; N39-S143 PolarHBondContact OD1-OG 2.85Å; N39-E147 PolarHBondContact ND2-OE1 2.77Å | ||
| 40 | P | 95.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | trans | -65.3 | 138.2 | 171.1 | 26 | -32.3 | 0 | 0 | 0 | 110.7 | L38 L93 I96 F101 S143 I146 E147 | L38-P40 WeakPolarHBondContact O-CD 3.41Å; P40-L93 HydrophobicContact CB-CD2 4.07Å; P40-I96 HydrophobicContact CB-CD1 3.5Å; P40-F101 HydrophobicContact CB-CE1 3.94Å; P40-F101 HydrophobicContact CB-CZ 3.87Å; P40-F101 HydrophobicContact CG-CE1 4.42Å; P40-F101 HydrophobicContact CG-CZ 4.46Å; P40-S143 WeakPolarHBondContact CD-OG 3.39Å; P40-I146 HydrophobicContact CB-CG1 4.09Å; P40-I146 HydrophobicContact CB-CG2 4.26Å; P40-I146 HydrophobicContact CG-CG1 3.98Å; P40-I146 CarbonylContact O-C 3.57Å; P40-I146 WeakPolarHBondContact O-CA 3.39Å; P40-E147 PolarHBondContact O-N 2.8Å | ||
| 41 | S | 94.2 | Very high | 95.5 | Very high | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -145.3 | 143 | -180 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | Q43 S44 R95 I96 E147 | S41-Q43 VanDerWaalsContact C-N 3.27Å; S41-Q43 PolarHBondContact OG-N 3.32Å; S41-Q43 VanDerWaalsContact OG-N 3.08Å; S41-S44 WeakPolarHBondContact CB-O 3.41Å; S41-S44 WeakPolarHBondContact CB-OG 3.37Å; S41-S44 PolarHBondContact OG-N 3.4Å; S41-S44 PolarHBondContact OG-OG 3.36Å; S41-R95 CarbonylContact O-C 3.59Å; S41-R95 WeakPolarHBondContact O-CA 3.46Å; S41-I96 PolarHBondContact O-N 3.47Å; S41-E147 CarbonylContact C-O 3.51Å; S41-E147 WeakPolarHBondContact CA-O 3.46Å |
| 42 | Y | 92.9 | Very high | 95.5 | Very high | 62 Ų | 62 | 53 Ų | 53 | 24% | 0.243 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -76.9 | -17 | 171.7 | -65.3 | -72.5 | 0 | 0 | 0 | 112.6 | I96 I146 E147 G148 M150 | Y42-I96 WeakPolarHBondContact CA-O 3.28Å; Y42-I96 HydrophobicContact CD1-CB 3.92Å; Y42-I96 HydrophobicContact CD1-CG2 3.91Å; Y42-I96 WeakPolarHBondContact CD1-O 3.44Å; Y42-I96 HydrophobicContact CE1-CB 4.11Å; Y42-I96 HydrophobicContact CE1-CG2 3.65Å; Y42-I146 HydrophobicContact CD2-CB 4.45Å; Y42-I146 HydrophobicContact CD2-CG2 3.52Å; Y42-I146 HydrophobicContact CE1-CG2 4.31Å; Y42-I146 HydrophobicContact CE2-CB 3.84Å; Y42-I146 HydrophobicContact CE2-CG2 3.28Å; Y42-I146 HydrophobicContact CG-CG2 4.16Å; Y42-E147 PolarHBondContact N-O 2.96Å; Y42-G148 WeakPolarHBondContact CD2-O 3.48Å; Y42-M150 HydrophobicContact CD1-CB 3.88Å; Y42-M150 HydrophobicContact CD1-CG 4.07Å; Y42-M150 HydrophobicContact CD2-CB 4.45Å; Y42-M150 HydrophobicContact CE1-CB 3.8Å; Y42-M150 HydrophobicContact CE1-CG 4Å; Y42-M150 HydrophobicContact CE1-SD 4.31Å; Y42-M150 HydrophobicContact CE2-CB 4.36Å; Y42-M150 HydrophobicContact CG-CB 4.22Å |
| 43 | Q | 89.9 | Confident | 95.7 | Very high | 129 Ų | 129 | 53.6 Ų | 53.6 | 60% | 0.603 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -109.7 | -42.4 | -168.2 | -61.5 | -177.3 | 1.2 | 0 | 0 | 112.4 | S41 | S41-Q43 VanDerWaalsContact C-N 3.27Å; S41-Q43 PolarHBondContact OG-N 3.32Å; S41-Q43 VanDerWaalsContact OG-N 3.08Å |
| 44 | S | 92.9 | Very high | 95.6 | Very high | 52 Ų | 52 | 50.6 Ų | 50.6 | 36% | 0.364 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -119.3 | 146.8 | -173.3 | 47.9 | 0 | 0 | 0 | 0 | 111.6 | S41 | S41-S44 WeakPolarHBondContact CB-O 3.41Å; S41-S44 WeakPolarHBondContact CB-OG 3.37Å; S41-S44 PolarHBondContact OG-N 3.4Å; S41-S44 PolarHBondContact OG-OG 3.36Å |
| 45 | P | 95 | Very high | 95.6 | Very high | 81 Ų | 81 | 51.6 Ų | 51.6 | 53% | 0.526 | 28% | 0.282 | S | S | . | . | trans | -72.1 | 158.1 | 161.4 | 33.1 | -33.3 | 0 | 0 | 0 | 110.1 | L93 | P45-L93 CarbonylContact C-O 3.55Å; P45-L93 VanDerWaalsContact CA-O 3.24Å; P45-L93 WeakPolarHBondContact CA-O 3.33Å; P45-L93 WeakPolarHBondContact CB-O 3.48Å | ||
| 46 | S | 95.6 | Very high | 95.4 | Very high | 24 Ų | 24 | 46 Ų | 46 | 17% | 0.168 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 145 | 175.1 | 173.5 | 0 | 0 | 0 | 0 | 109.4 | N39 R92 L93 | N39-S46 PolarHBondContact N-OG 3.02Å; N39-S46 WeakPolarHBondContact O-CB 3.41Å; S46-R92 CarbonylContact O-C 3.58Å; S46-R92 WeakPolarHBondContact O-CA 3.44Å; S46-L93 PolarHBondContact N-O 2.95Å; S46-L93 PolarHBondContact O-N 2.98Å |
| 47 | S | 96.7 | Very high | 95.2 | Very high | 52 Ų | 52 | 51.6 Ų | 51.6 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 157.7 | -178.4 | 65.2 | 0 | 0 | 0 | 0 | 114.4 | E90 I91 | S47-E90 WeakPolarHBondContact CB-OE1 3.43Å; S47-E90 PolarHBondContact OG-OE1 3.07Å; S47-I91 CarbonylContact C-O 3.56Å; S47-I91 WeakPolarHBondContact CA-O 3.48Å; S47-I91 WeakPolarHBondContact CB-O 3.3Å |
| 48 | K | 97.6 | Very high | 94.8 | Very high | 107 Ų | 107 | 49.4 Ų | 49.4 | 47% | 0.465 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 132.1 | 176.8 | -73.5 | -67.7 | -180 | 179.6 | 0 | 110.1 | V36 L38 E90 I91 | V36-K48 HydrophobicContact CG1-CB 4.3Å; L38-K48 HydrophobicContact CD2-CB 4.16Å; L38-K48 HydrophobicContact CD2-CG 3.61Å; K48-E90 WeakPolarHBondContact O-CA 3.45Å; K48-I91 PolarHBondContact N-O 3.03Å; K48-I91 PolarHBondContact O-N 3.33Å |
| 49 | A | 97.1 | Very high | 94.5 | Very high | 80 Ų | 80 | 51.8 Ų | 51.8 | 66% | 0.661 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 145 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | A89 | A49-A89 WeakPolarHBondContact CA-O 3.21Å |
| 50 | I | 97.4 | Very high | 94.4 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 157.9 | 172.3 | 65.8 | 169.8 | 0 | 0 | 0 | 109 | V31 G32 A89 I91 F110 I138 | V31-I50 HydrophobicContact CG1-CD1 4.25Å; G32-I50 CarbonylContact O-C 3.59Å; G32-I50 WeakPolarHBondContact O-CA 3.42Å; G32-I50 WeakPolarHBondContact O-CB 3.38Å; I50-A89 HydrophobicContact CD1-CB 3.97Å; I50-A89 HydrophobicContact CG1-CB 3.7Å; I50-A89 WeakPolarHBondContact CG1-O 3.48Å; I50-A89 PolarHBondContact N-O 3Å; I50-A89 PolarHBondContact O-N 2.84Å; I50-A89 VanDerWaalsContact O-O 3.12Å; I50-I91 HydrophobicContact CD1-CD1 4.47Å; I50-I91 HydrophobicContact CD1-CG1 4.2Å; I50-I91 HydrophobicContact CG2-CD1 3.57Å; I50-I91 HydrophobicContact CG2-CG1 3.89Å; I50-F110 HydrophobicContact CD1-CE1 3.86Å; I50-F110 HydrophobicContact CD1-CE2 4.14Å; I50-F110 HydrophobicContact CD1-CZ 3.28Å; I50-I138 HydrophobicContact CB-CD1 4.46Å; I50-I138 HydrophobicContact CD1-CD1 4.1Å; I50-I138 HydrophobicContact CG2-CD1 3.95Å |
| 51 | V | 97.6 | Very high | 94.2 | Very high | 56 Ų | 56 | 48.9 Ų | 48.9 | 34% | 0.339 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 128.6 | 175.5 | -178 | 0 | 0 | 0 | 0 | 108.3 | V31 G32 H86 | V31-V51 WeakPolarHBondContact CA-O 3.39Å; G32-V51 PolarHBondContact N-O 3.49Å; G32-V51 PolarHBondContact O-N 3.4Å; V51-H86 HydrophobicContact CG1-CB 4.13Å |
| 52 | I | 97.5 | Very high | 94.2 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 125.9 | 169.9 | -62.4 | 158.9 | 0 | 0 | 0 | 106.8 | A30 V31 F62 V81 H86 M87 A89 F110 F112 | A30-I52 CarbonylContact O-C 3.58Å; A30-I52 WeakPolarHBondContact O-CA 3.36Å; V31-I52 HydrophobicContact CG1-CG1 3.95Å; V31-I52 HydrophobicContact CG2-CG1 4.11Å; V31-I52 HydrophobicContact CG2-CG2 4.39Å; I52-F62 HydrophobicContact CD1-CE1 4.45Å; I52-F62 HydrophobicContact CD1-CE2 4.4Å; I52-F62 HydrophobicContact CD1-CZ 4.38Å; I52-V81 HydrophobicContact CB-CG2 4.39Å; I52-V81 HydrophobicContact CG2-CG2 3.82Å; I52-H86 CarbonylContact O-C 3.56Å; I52-H86 WeakPolarHBondContact O-CA 3.44Å; I52-M87 HydrophobicContact CB-CE 4.48Å; I52-M87 HydrophobicContact CD1-CE 3.34Å; I52-M87 HydrophobicContact CG1-CE 4.41Å; I52-M87 PolarHBondContact N-O 3.23Å; I52-M87 PolarHBondContact O-N 2.85Å; I52-A89 HydrophobicContact CD1-CB 4.33Å; I52-F110 HydrophobicContact CD1-CD1 4.04Å; I52-F110 HydrophobicContact CD1-CE1 3.85Å; I52-F110 HydrophobicContact CG1-CE1 4.5Å; I52-F112 HydrophobicContact CG2-CE1 3.72Å; I52-F112 HydrophobicContact CG2-CZ 3.81Å |
| 53 | T | 97.1 | Very high | 94.2 | Very high | 42 Ų | 42 | 48.8 Ų | 48.8 | 26% | 0.258 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 130.4 | 179.6 | -52.8 | 0 | 0 | 0 | 0 | 109.3 | V29 A30 Q55 | V29-T53 WeakPolarHBondContact CA-O 3.48Å; A30-T53 PolarHBondContact N-O 2.92Å; A30-T53 PolarHBondContact O-N 3.44Å; T53-Q55 HydrophobicContact CG2-CG 4.12Å |
| 54 | N | 96.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 109.8 | 175 | 179.9 | 20.9 | 0 | 0 | 0 | 109.5 | L56 Y58 V81 N82 N84 D85 | N54-L56 VanDerWaalsContact C-N 3.35Å; N54-L56 VanDerWaalsContact OD1-CB 3.26Å; N54-L56 WeakPolarHBondContact OD1-CB 3.33Å; N54-L56 PolarHBondContact OD1-N 2.94Å; N54-L56 VanDerWaalsContact OD1-N 3.07Å; N54-Y58 PolarHBondContact ND2-O 2.97Å; N54-V81 HydrophobicContact CB-CB 4.24Å; N54-V81 HydrophobicContact CB-CG1 3.66Å; N54-V81 PolarHBondContact ND2-O 3.07Å; N54-N82 WeakPolarHBondContact CB-O 3.17Å; N54-N82 PolarHBondContact ND2-O 3.3Å; N54-N84 CarbonylContact O-C 3.45Å; N54-N84 WeakPolarHBondContact O-CA 3.31Å; N54-N84 PolarHBondContact O-N 3Å; N54-N84 VanDerWaalsContact O-N 3.11Å; N54-D85 PolarHBondContact N-O 3.39Å; N54-D85 PolarHBondContact O-N 3.37Å |
| 55 | Q | 95.4 | Very high | 94.5 | Very high | 109 Ų | 109 | 46.7 Ų | 46.7 | 51% | 0.509 | 26% | 0.257 | S | S | . | . | trans | -99.5 | 19.2 | 176 | -54.4 | 175.7 | -18.4 | 0 | 0 | 112.1 | K28 T53 | K28-Q55 HydrophobicContact CB-CB 4.18Å; K28-Q55 VanDerWaalsContact O-CB 3.26Å; K28-Q55 WeakPolarHBondContact O-CB 3.49Å; K28-Q55 PolarHBondContact O-N 2.92Å; T53-Q55 HydrophobicContact CG2-CG 4.12Å | ||
| 56 | L | 92.2 | Very high | 94.5 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -92.3 | 154.6 | 172.2 | -62.3 | 156.3 | 0 | 0 | 0 | 109.2 | L20 K28 V29 N54 Y58 L60 A83 N84 L133 | L20-L56 HydrophobicContact CD1-CD2 4Å; K28-L56 HydrophobicContact CB-CD2 3.89Å; K28-L56 HydrophobicContact CB-CG 3.88Å; K28-L56 HydrophobicContact CD-CD2 3.44Å; K28-L56 VanDerWaalsContact CD-CD2 3.44Å; K28-L56 HydrophobicContact CD-CG 4.2Å; K28-L56 HydrophobicContact CG-CD2 4.28Å; V29-L56 HydrophobicContact CG2-CD1 3.94Å; N54-L56 VanDerWaalsContact C-N 3.35Å; N54-L56 VanDerWaalsContact OD1-CB 3.26Å; N54-L56 WeakPolarHBondContact OD1-CB 3.33Å; N54-L56 PolarHBondContact OD1-N 2.94Å; N54-L56 VanDerWaalsContact OD1-N 3.07Å; L56-Y58 HydrophobicContact CB-CD1 4.17Å; L56-Y58 HydrophobicContact CB-CE1 3.97Å; L56-Y58 HydrophobicContact CB-CE2 4.49Å; L56-Y58 HydrophobicContact CD1-CE1 4.42Å; L56-Y58 HydrophobicContact CD1-CE2 4.08Å; L56-Y58 HydrophobicContact CD2-CE1 4.01Å; L56-Y58 HydrophobicContact CG-CE1 4.37Å; L56-Y58 PolarHBondContact O-N 3.3Å; L56-Y58 VanDerWaalsContact O-N 3.17Å; L56-L60 HydrophobicContact CD1-CD1 3.7Å; L56-L60 HydrophobicContact CD1-CD2 4.07Å; L56-L60 HydrophobicContact CD1-CG 4.06Å; L56-A83 VanDerWaalsContact O-CA 3.26Å; L56-A83 WeakPolarHBondContact O-CA 3.41Å; L56-A83 WeakPolarHBondContact O-CB 3.42Å; L56-N84 PolarHBondContact O-N 2.84Å; L56-L133 HydrophobicContact CD1-CD2 4.41Å |
| 57 | D | 91.2 | Very high | 94.5 | Very high | 123 Ų | 123 | 46 Ų | 46 | 66% | 0.658 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -80.8 | 11.7 | -179.9 | -51.8 | -51.3 | 0 | 0 | 0 | 113 | A83 N84 | D57-A83 VanDerWaalsContact C-CB 3.4Å; D57-N84 PolarHBondContact OD1-ND2 2.79Å |
| 58 | Y | 88.7 | Confident | 94.3 | Very high | 47 Ų | 47 | 44.1 Ų | 44.1 | 18% | 0.184 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -138.2 | 153.1 | 177.7 | 57.1 | -94 | 0 | 0 | 0 | 111.6 | L20 N54 L56 L60 K114 L133 | L20-Y58 HydrophobicContact CD1-CE1 3.83Å; L20-Y58 WeakPolarHBondContact CD1-OH 3.44Å; N54-Y58 PolarHBondContact ND2-O 2.97Å; L56-Y58 HydrophobicContact CB-CD1 4.17Å; L56-Y58 HydrophobicContact CB-CE1 3.97Å; L56-Y58 HydrophobicContact CB-CE2 4.49Å; L56-Y58 HydrophobicContact CD1-CE1 4.42Å; L56-Y58 HydrophobicContact CD1-CE2 4.08Å; L56-Y58 HydrophobicContact CD2-CE1 4.01Å; L56-Y58 HydrophobicContact CG-CE1 4.37Å; L56-Y58 PolarHBondContact O-N 3.3Å; L56-Y58 VanDerWaalsContact O-N 3.17Å; Y58-L60 HydrophobicContact CD2-CD2 4.06Å; Y58-L60 HydrophobicContact CE2-CD2 3.55Å; Y58-L60 HydrophobicContact CE2-CG 4.49Å; Y58-K114 HydrophobicContact CD2-CG 4Å; Y58-K114 HydrophobicContact CE2-CB 4.4Å; Y58-K114 HydrophobicContact CE2-CD 4.4Å; Y58-K114 HydrophobicContact CE2-CG 3.94Å; Y58-L133 HydrophobicContact CE2-CD2 4.28Å |
| 59 | P | 90.3 | Very high | 93.9 | Very high | 51 Ų | 51 | 47.4 Ų | 47.4 | 33% | 0.331 | 25% | 0.251 | S | S | . | . | trans | -67.1 | 141.8 | 178.5 | 26.7 | -34 | 0 | 0 | 0 | 111.8 | V80 V81 T115 | P59-V80 HydrophobicContact CB-CG1 4.06Å; P59-V81 WeakPolarHBondContact CA-O 3.42Å; P59-T115 WeakPolarHBondContact O-CB 3.47Å; P59-T115 PolarHBondContact O-N 3.26Å; P59-T115 PolarHBondContact O-OG1 3.12Å | ||
| 60 | L | 91.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 139.2 | 174.8 | -71.6 | -175.2 | 0 | 0 | 0 | 111 | V29 L56 Y58 V80 V81 F112 Y113 L133 | V29-L60 HydrophobicContact CG1-CD1 4.44Å; V29-L60 HydrophobicContact CG2-CD1 3.32Å; L56-L60 HydrophobicContact CD1-CD1 3.7Å; L56-L60 HydrophobicContact CD1-CD2 4.07Å; L56-L60 HydrophobicContact CD1-CG 4.06Å; Y58-L60 HydrophobicContact CD2-CD2 4.06Å; Y58-L60 HydrophobicContact CE2-CD2 3.55Å; Y58-L60 HydrophobicContact CE2-CG 4.49Å; L60-V80 CarbonylContact O-C 3.49Å; L60-V80 VanDerWaalsContact O-CA 3.25Å; L60-V80 WeakPolarHBondContact O-CA 3.47Å; L60-V80 WeakPolarHBondContact O-CG1 3.32Å; L60-V81 PolarHBondContact N-O 2.76Å; L60-V81 PolarHBondContact O-N 3.03Å; L60-F112 HydrophobicContact CB-CD1 4.45Å; L60-F112 HydrophobicContact CD1-CD1 4.2Å; L60-Y113 WeakPolarHBondContact CD2-O 3.37Å; L60-L133 HydrophobicContact CD2-CD2 3.58Å |
| 61 | S | 92.1 | Very high | 93.5 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.014 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 151.4 | 166.4 | 57.3 | 0 | 0 | 0 | 0 | 109.8 | G79 F112 Y113 T115 M127 | S61-G79 CarbonylContact C-O 3.5Å; S61-G79 VanDerWaalsContact CA-O 3.31Å; S61-G79 WeakPolarHBondContact CA-O 3.43Å; S61-F112 CarbonylContact O-C 3.55Å; S61-F112 WeakPolarHBondContact O-CA 3.46Å; S61-Y113 PolarHBondContact N-O 3.46Å; S61-Y113 PolarHBondContact O-N 3.5Å; S61-Y113 WeakPolarHBondContact OG-CB 3.47Å; S61-Y113 PolarHBondContact OG-O 3.5Å; S61-T115 PolarHBondContact N-OG1 3.22Å; S61-M127 WeakPolarHBondContact CB-SD 3.47Å; S61-M127 WeakPolarHBondContact OG-CE 3.48Å; S61-M127 PolarHBondContact OG-SD 3.28Å; S61-M127 VanDerWaalsContact OG-SD 3.37Å |
| 62 | F | 93 | Very high | 93.4 | Very high | 6 Ų | 6 | 44.7 Ų | 44.7 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 151.6 | 176.4 | 68.8 | -87.3 | 0 | 0 | 0 | 111.6 | I52 V64 P76 C78 G79 V81 M87 F110 D111 F112 | I52-F62 HydrophobicContact CD1-CE1 4.45Å; I52-F62 HydrophobicContact CD1-CE2 4.4Å; I52-F62 HydrophobicContact CD1-CZ 4.38Å; F62-V64 HydrophobicContact CD2-CG2 3.65Å; F62-V64 HydrophobicContact CE2-CG2 3.83Å; F62-P76 HydrophobicContact CZ-CG 4.03Å; F62-C78 WeakPolarHBondContact O-CA 3.33Å; F62-C78 WeakPolarHBondContact O-CB 3.45Å; F62-G79 VanDerWaalsContact CD1-O 3.23Å; F62-G79 WeakPolarHBondContact CD1-O 3.24Å; F62-G79 WeakPolarHBondContact CE1-O 3.34Å; F62-G79 VanDerWaalsContact CZ-CA 3.5Å; F62-G79 VanDerWaalsContact CZ-N 3.28Å; F62-G79 PolarHBondContact N-O 2.96Å; F62-G79 PolarHBondContact O-N 3.16Å; F62-V81 HydrophobicContact CD1-CG2 3.99Å; F62-V81 HydrophobicContact CE1-CG2 4.03Å; F62-M87 HydrophobicContact CD1-CE 4.24Å; F62-M87 HydrophobicContact CE1-CE 3.19Å; F62-M87 HydrophobicContact CE1-SD 3.64Å; F62-M87 HydrophobicContact CE2-CE 4.14Å; F62-M87 HydrophobicContact CZ-CE 3.15Å; F62-M87 HydrophobicContact CZ-SD 3.82Å; F62-F110 HydrophobicContact CD2-CD1 4.31Å; F62-D111 CarbonylContact C-O 3.48Å; F62-D111 VanDerWaalsContact CA-O 3.26Å; F62-D111 WeakPolarHBondContact CA-O 3.49Å; F62-F112 HydrophobicContact CB-CD1 3.68Å; F62-F112 HydrophobicContact CB-CE1 3.67Å; F62-F112 HydrophobicContact CB-CG 4.4Å; F62-F112 HydrophobicContact CB-CZ 4.39Å; F62-F112 HydrophobicContact CG-CE1 4.37Å |
| 63 | N | 93.9 | Very high | 93.4 | Very high | 57 Ų | 57 | 46.4 Ų | 46.4 | 31% | 0.305 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 138.8 | 169.4 | -170.1 | 4.6 | 0 | 0 | 0 | 109.2 | P77 D111 Y113 | N63-P77 PolarHBondContact OD1-O 3.33Å; N63-D111 PolarHBondContact N-O 3.37Å; N63-D111 PolarHBondContact O-N 3.21Å; N63-Y113 HydrophobicContact CB-CE2 4.15Å |
| 64 | V | 95.1 | Very high | 93.3 | Very high | 17 Ų | 17 | 44.9 Ų | 44.9 | 10% | 0.103 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 127.7 | -173.8 | -166.7 | 0 | 0 | 0 | 0 | 111.3 | F62 A74 P77 I108 I109 F110 | F62-V64 HydrophobicContact CD2-CG2 3.65Å; F62-V64 HydrophobicContact CE2-CG2 3.83Å; V64-A74 HydrophobicContact CB-CB 3.86Å; V64-A74 HydrophobicContact CG1-CB 3.46Å; V64-A74 VanDerWaalsContact CG1-CB 3.46Å; V64-A74 HydrophobicContact CG2-CB 4.02Å; V64-P77 WeakPolarHBondContact CB-O 3.4Å; V64-P77 WeakPolarHBondContact CG2-O 3.33Å; V64-P77 PolarHBondContact N-O 3.43Å; V64-I108 HydrophobicContact CG1-CG2 3.27Å; V64-I109 WeakPolarHBondContact CA-O 3.33Å; V64-F110 HydrophobicContact CB-CE1 4.36Å; V64-F110 HydrophobicContact CG1-CD1 4.34Å; V64-F110 HydrophobicContact CG1-CE1 4.01Å; V64-F110 HydrophobicContact CG1-CE2 4.27Å; V64-F110 HydrophobicContact CG1-CZ 3.94Å; V64-F110 HydrophobicContact CG2-CD1 3.52Å; V64-F110 HydrophobicContact CG2-CE1 3.38Å; V64-F110 HydrophobicContact CG2-CG 4.38Å; V64-F110 HydrophobicContact CG2-CZ 4.15Å |
| 65 | R | 94.6 | Very high | 93.3 | Very high | 119 Ų | 119 | 47.3 Ų | 47.3 | 45% | 0.449 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 151.3 | 176.3 | -60 | -175.8 | -67.9 | 159.2 | 1 | 110.3 | I108 I109 D111 | R65-I108 WeakPolarHBondContact O-CA 3.37Å; R65-I109 PolarHBondContact N-O 2.92Å; R65-I109 PolarHBondContact O-N 3.25Å; R65-D111 IonicContact CZ-OD2 3.49Å; R65-D111 IonicContact NE-OD2 3.69Å; R65-D111 PolarHBondContact NE-OD2 3.3Å; R65-D111 IonicContact NH2-OD1 2.88Å; R65-D111 PolarHBondContact NH2-OD1 2.88Å; R65-D111 IonicContact NH2-OD2 3.18Å; R65-D111 PolarHBondContact NH2-OD2 3.45Å |
| 66 | S | 95.1 | Very high | 93.3 | Very high | 16 Ų | 16 | 44.4 Ų | 44.4 | 11% | 0.112 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 147.4 | 176.6 | 179.6 | 0 | 0 | 0 | 0 | 111.2 | Q68 K69 L72 H107 | S66-Q68 PolarHBondContact O-N 3.42Å; S66-Q68 PolarHBondContact OG-N 3.48Å; S66-Q68 VanDerWaalsContact OG-N 3.12Å; S66-K69 WeakPolarHBondContact O-CG 3.46Å; S66-L72 VanDerWaalsContact CB-O 3.28Å; S66-L72 WeakPolarHBondContact CB-O 3.23Å; S66-L72 WeakPolarHBondContact OG-CB 3.44Å; S66-L72 VanDerWaalsContact OG-CD2 3.3Å; S66-L72 WeakPolarHBondContact OG-CD2 3.45Å; S66-L72 WeakPolarHBondContact OG-CG 3.4Å; S66-L72 PolarHBondContact OG-O 2.97Å; S66-H107 WeakPolarHBondContact CA-O 3.38Å |
| 67 | T | 94.4 | Very high | 93.4 | Very high | 74 Ų | 74 | 47.9 Ų | 47.9 | 45% | 0.454 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -28 | 168.9 | 50 | 0 | 0 | 0 | 0 | 112.1 | D106 H107 | T67-D106 WeakPolarHBondContact CB-OD1 3.36Å; T67-D106 WeakPolarHBondContact OG1-CB 3.2Å; T67-D106 VanDerWaalsContact OG1-CG 3.24Å; T67-D106 PolarHBondContact OG1-OD1 3.44Å; T67-H107 HydrophobicContact CG2-CB 3.93Å; T67-H107 PolarHBondContact N-O 3.45Å; T67-H107 VanDerWaalsContact N-O 3.13Å; T67-H107 PolarHBondContact OG1-N 3.5Å; T67-H107 PolarHBondContact OG1-O 2.99Å |
| 68 | Q | 91.8 | Very high | 93.5 | Very high | 14 Ų | 14 | 43.9 Ų | 43.9 | 7% | 0.065 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | 62.5 | -177.5 | -161.5 | 177.2 | 71.1 | 0 | 0 | 112.4 | S66 V70 F71 L72 H102 Y142 | S66-Q68 PolarHBondContact O-N 3.42Å; S66-Q68 PolarHBondContact OG-N 3.48Å; S66-Q68 VanDerWaalsContact OG-N 3.12Å; Q68-V70 PolarHBondContact O-N 2.91Å; Q68-F71 HydrophobicContact CG-CB 4.28Å; Q68-F71 HydrophobicContact CG-CD2 3.95Å; Q68-F71 PolarHBondContact O-N 2.92Å; Q68-L72 HydrophobicContact CB-CB 4.13Å; Q68-L72 PolarHBondContact O-N 3.46Å; Q68-H102 PolarHBondContact NE2-O 3.25Å; Q68-Y142 PolarHBondContact OE1-OH 3.45Å |
| 69 | K | 90.3 | Very high | 93.7 | Very high | 175 Ų | 175 | 42.9 Ų | 42.9 | 76% | 0.761 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -47.2 | -30.2 | -172 | -59.9 | -178.3 | -178.4 | 178.7 | 0 | 116.4 | S66 | S66-K69 WeakPolarHBondContact O-CG 3.46Š|
| 70 | V | 91.2 | Very high | 93.8 | Very high | 78 Ų | 78 | 43.3 Ų | 43.3 | 47% | 0.473 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -33.8 | -176.7 | 179.4 | 0 | 0 | 0 | 0 | 112.1 | Q68 W97 | Q68-V70 PolarHBondContact O-N 2.91Å; V70-W97 HydrophobicContact CG1-CZ2 4.46Å |
| 71 | F | 94.5 | Very high | 93.9 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.009 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | -40.2 | -170.9 | -62.6 | -74.2 | 0 | 0 | 0 | 112.3 | Q68 L93 H94 W97 N98 K100 F101 | Q68-F71 HydrophobicContact CG-CB 4.28Å; Q68-F71 HydrophobicContact CG-CD2 3.95Å; Q68-F71 PolarHBondContact O-N 2.92Å; F71-L93 HydrophobicContact CB-CD1 3.79Å; F71-L93 CarbonylContact O-C 3.55Å; F71-L93 WeakPolarHBondContact O-CA 3.4Å; F71-H94 PolarHBondContact O-CD2 2.99Å; F71-H94 PolarHBondContact O-N 3.35Å; F71-W97 AromaticContact CE1-NE1 3.96Å; F71-N98 VanDerWaalsContact CZ-OD1 3.31Å; F71-N98 WeakPolarHBondContact CZ-OD1 3.19Å; F71-K100 HydrophobicContact CE2-CB 4.36Å; F71-F101 HydrophobicContact CB-CD2 4.3Å; F71-F101 HydrophobicContact CD2-CB 4.22Å; F71-F101 AromaticContact CD2-CD2 3.98Å; F71-F101 HydrophobicContact CD2-CD2 3.98Å; F71-F101 HydrophobicContact CE2-CB 3.86Å; F71-F101 HydrophobicContact CE2-CD2 4.47Å; F71-F101 HydrophobicContact CG-CD2 4.04Å; F71-F101 HydrophobicContact CZ-CB 4.04Å |
| 72 | L | 96.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 117 | -171.5 | -175.6 | 63.2 | 0 | 0 | 0 | 109.7 | L38 S66 Q68 I91 D106 I108 V140 | L38-L72 HydrophobicContact CD1-CD1 3.72Å; S66-L72 VanDerWaalsContact CB-O 3.28Å; S66-L72 WeakPolarHBondContact CB-O 3.23Å; S66-L72 WeakPolarHBondContact OG-CB 3.44Å; S66-L72 VanDerWaalsContact OG-CD2 3.3Å; S66-L72 WeakPolarHBondContact OG-CD2 3.45Å; S66-L72 WeakPolarHBondContact OG-CG 3.4Å; S66-L72 PolarHBondContact OG-O 2.97Å; Q68-L72 HydrophobicContact CB-CB 4.13Å; Q68-L72 PolarHBondContact O-N 3.46Å; L72-I91 HydrophobicContact CD1-CG2 3.69Å; L72-D106 HydrophobicContact CD2-CB 3.91Å; L72-I108 HydrophobicContact CD1-CD1 3.89Å; L72-I108 HydrophobicContact CD2-CD1 4.07Å; L72-I108 HydrophobicContact CD2-CG1 3.83Å; L72-I108 HydrophobicContact CG-CD1 3.8Å; L72-I108 HydrophobicContact CG-CG1 4.02Å; L72-V140 HydrophobicContact CD1-CG1 4.25Å; L72-V140 HydrophobicContact CD1-CG2 4.47Å; L72-V140 HydrophobicContact CD2-CB 4.09Å; L72-V140 HydrophobicContact CD2-CG1 4.1Å; L72-V140 HydrophobicContact CD2-CG2 3.84Å |
| 73 | V | 96.1 | Very high | 93.9 | Very high | 38 Ų | 38 | 49.1 Ų | 49.1 | 23% | 0.23 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 154.5 | -177.1 | -60 | 0 | 0 | 0 | 0 | 110.9 | R92 | V73-R92 HydrophobicContact CG2-CB 4.08Å; V73-R92 PolarHBondContact N-O 2.9Å; V73-R92 PolarHBondContact O-N 3.19Å |
| 74 | A | 96.2 | Very high | 94 | Very high | 9 Ų | 9 | 51.5 Ų | 51.5 | 7% | 0.074 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 147.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | V64 P76 E90 | V64-A74 HydrophobicContact CB-CB 3.86Å; V64-A74 HydrophobicContact CG1-CB 3.46Å; V64-A74 VanDerWaalsContact CG1-CB 3.46Å; V64-A74 HydrophobicContact CG2-CB 4.02Å; A74-P76 CarbonylContact O-C 3.55Å; A74-E90 CarbonylContact C-O 3.59Å; A74-E90 WeakPolarHBondContact CA-O 2.88Å |
| 75 | V | 96.1 | Very high | 94 | Very high | 52 Ų | 52 | 53.5 Ų | 53.5 | 32% | 0.315 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 115.5 | 178.5 | -175.2 | 0 | 0 | 0 | 0 | 108.4 | A89 E90 | V75-A89 CarbonylContact O-C 3.58Å; V75-A89 WeakPolarHBondContact O-CA 3.46Å; V75-A89 WeakPolarHBondContact O-CB 3.19Å; V75-E90 HydrophobicContact CB-CB 4.43Å; V75-E90 PolarHBondContact N-O 3.39Å; V75-E90 PolarHBondContact O-N 3.42Å |
| 76 | P | 95.4 | Very high | 94.1 | Very high | 49 Ų | 49 | 53.2 Ų | 53.2 | 32% | 0.318 | 31% | 0.305 | S | S | . | . | S | Bend | cis | -71.8 | 156.3 | -6.4 | 35.6 | -38.2 | 0 | 0 | 0 | 111.8 | F62 A74 C78 | F62-P76 HydrophobicContact CZ-CG 4.03Å; A74-P76 CarbonylContact O-C 3.55Å; P76-C78 VanDerWaalsContact C-N 3.26Å; P76-C78 VanDerWaalsContact CB-O 3.31Å; P76-C78 WeakPolarHBondContact CB-O 3.31Å; P76-C78 PolarHBondContact O-N 3.32Å |
| 77 | P | 94 | Very high | 94.1 | Very high | 75 Ų | 75 | 54.2 Ų | 54.2 | 49% | 0.487 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -75.3 | -18.1 | 177.5 | 31.1 | -35.9 | 0 | 0 | 0 | 112.9 | N63 V64 | N63-P77 PolarHBondContact OD1-O 3.33Å; V64-P77 WeakPolarHBondContact CB-O 3.4Å; V64-P77 WeakPolarHBondContact CG2-O 3.33Å; V64-P77 PolarHBondContact N-O 3.43Å |
| 78 | C | 93.1 | Very high | 94.2 | Very high | 39 Ų | 39 | 60.6 Ų | 60.6 | 26% | 0.264 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 159.9 | 174.7 | 54.9 | 0 | 0 | 0 | 0 | 109.1 | F62 P76 | F62-C78 WeakPolarHBondContact O-CA 3.33Å; F62-C78 WeakPolarHBondContact O-CB 3.45Å; P76-C78 VanDerWaalsContact C-N 3.26Å; P76-C78 VanDerWaalsContact CB-O 3.31Å; P76-C78 WeakPolarHBondContact CB-O 3.31Å; P76-C78 PolarHBondContact O-N 3.32Å |
| 79 | G | 92.6 | Very high | 94.4 | Very high | 25 Ų | 25 | 60.3 Ų | 60.3 | 26% | 0.258 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.8 | -172.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | S61 F62 | S61-G79 CarbonylContact C-O 3.5Å; S61-G79 VanDerWaalsContact CA-O 3.31Å; S61-G79 WeakPolarHBondContact CA-O 3.43Å; F62-G79 VanDerWaalsContact CD1-O 3.23Å; F62-G79 WeakPolarHBondContact CD1-O 3.24Å; F62-G79 WeakPolarHBondContact CE1-O 3.34Å; F62-G79 VanDerWaalsContact CZ-CA 3.5Å; F62-G79 VanDerWaalsContact CZ-N 3.28Å; F62-G79 PolarHBondContact N-O 2.96Å; F62-G79 PolarHBondContact O-N 3.16Å |
| 80 | V | 91.9 | Very high | 94.8 | Very high | 60 Ų | 60 | 55.2 Ų | 55.2 | 36% | 0.364 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 137.5 | 177.6 | -179.4 | 0 | 0 | 0 | 0 | 108.4 | P59 L60 | P59-V80 HydrophobicContact CB-CG1 4.06Å; L60-V80 CarbonylContact O-C 3.49Å; L60-V80 VanDerWaalsContact O-CA 3.25Å; L60-V80 WeakPolarHBondContact O-CA 3.47Å; L60-V80 WeakPolarHBondContact O-CG1 3.32Å |
| 81 | V | 93.5 | Very high | 95 | Very high | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 122.2 | 172.3 | -171.8 | 0 | 0 | 0 | 0 | 107.1 | I52 N54 P59 L60 F62 M87 | I52-V81 HydrophobicContact CB-CG2 4.39Å; I52-V81 HydrophobicContact CG2-CG2 3.82Å; N54-V81 HydrophobicContact CB-CB 4.24Å; N54-V81 HydrophobicContact CB-CG1 3.66Å; N54-V81 PolarHBondContact ND2-O 3.07Å; P59-V81 WeakPolarHBondContact CA-O 3.42Å; L60-V81 PolarHBondContact N-O 2.76Å; L60-V81 PolarHBondContact O-N 3.03Å; F62-V81 HydrophobicContact CD1-CG2 3.99Å; F62-V81 HydrophobicContact CE1-CG2 4.03Å; V81-M87 HydrophobicContact CG1-CB 4.32Å; V81-M87 HydrophobicContact CG2-CB 3.86Å; V81-M87 HydrophobicContact CG2-CE 4.2Å; V81-M87 HydrophobicContact CG2-SD 4.29Å |
| 82 | N | 93.1 | Very high | 95.2 | Very high | 92 Ų | 92 | 55.4 Ų | 55.4 | 49% | 0.492 | 30% | 0.296 | S | S | . | . | trans | -63.8 | 163.4 | -178.4 | -64.5 | -33.6 | 0 | 0 | 0 | 111.6 | N54 D85 | N54-N82 WeakPolarHBondContact CB-O 3.17Å; N54-N82 PolarHBondContact ND2-O 3.3Å; N82-D85 HydrophobicContact CB-CB 3.86Å; N82-D85 PolarHBondContact O-N 3.3Å | ||
| 83 | A | 92.8 | Very high | 95.2 | Very high | 37 Ų | 37 | 55.4 Ų | 55.4 | 31% | 0.306 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 137.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | L56 D57 D85 | L56-A83 VanDerWaalsContact O-CA 3.26Å; L56-A83 WeakPolarHBondContact O-CA 3.41Å; L56-A83 WeakPolarHBondContact O-CB 3.42Å; D57-A83 VanDerWaalsContact C-CB 3.4Å; A83-D85 PolarHBondContact O-N 3.28Å; A83-D85 VanDerWaalsContact O-N 3.12Å |
| 84 | N | 95.1 | Very high | 95.2 | Very high | 106 Ų | 106 | 56.1 Ų | 56.1 | 57% | 0.567 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 32.6 | 177.3 | -63.5 | -47.6 | 0 | 0 | 0 | 114.7 | N54 L56 D57 | N54-N84 CarbonylContact O-C 3.45Å; N54-N84 WeakPolarHBondContact O-CA 3.31Å; N54-N84 PolarHBondContact O-N 3Å; N54-N84 VanDerWaalsContact O-N 3.11Å; L56-N84 PolarHBondContact O-N 2.84Å; D57-N84 PolarHBondContact OD1-ND2 2.79Å |
| 85 | D | 96.3 | Very high | 95 | Very high | 59 Ų | 59 | 61.9 Ų | 61.9 | 32% | 0.316 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 174 | -174.3 | -159.4 | 5.7 | 0 | 0 | 0 | 112.4 | N54 N82 A83 | N54-D85 PolarHBondContact N-O 3.39Å; N54-D85 PolarHBondContact O-N 3.37Å; N82-D85 HydrophobicContact CB-CB 3.86Å; N82-D85 PolarHBondContact O-N 3.3Å; A83-D85 PolarHBondContact O-N 3.28Å; A83-D85 VanDerWaalsContact O-N 3.12Å |
| 86 | H | 96.3 | Very high | 94.9 | Very high | 113 Ų | 113 | 59.6 Ų | 59.6 | 52% | 0.523 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 144.5 | 178.8 | 62.2 | -71.3 | 0 | 0 | 0 | 111.5 | V51 I52 | V51-H86 HydrophobicContact CG1-CB 4.13Å; I52-H86 CarbonylContact O-C 3.56Å; I52-H86 WeakPolarHBondContact O-CA 3.44Å |
| 87 | M | 95.9 | Very high | 94.5 | Very high | 38 Ų | 38 | 63.8 Ų | 63.8 | 19% | 0.187 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 132.6 | 177 | -171 | -164.2 | 62.3 | 0 | 0 | 110 | I52 F62 V81 A89 | I52-M87 HydrophobicContact CB-CE 4.48Å; I52-M87 HydrophobicContact CD1-CE 3.34Å; I52-M87 HydrophobicContact CG1-CE 4.41Å; I52-M87 PolarHBondContact N-O 3.23Å; I52-M87 PolarHBondContact O-N 2.85Å; F62-M87 HydrophobicContact CD1-CE 4.24Å; F62-M87 HydrophobicContact CE1-CE 3.19Å; F62-M87 HydrophobicContact CE1-SD 3.64Å; F62-M87 HydrophobicContact CE2-CE 4.14Å; F62-M87 HydrophobicContact CZ-CE 3.15Å; F62-M87 HydrophobicContact CZ-SD 3.82Å; V81-M87 HydrophobicContact CG1-CB 4.32Å; V81-M87 HydrophobicContact CG2-CB 3.86Å; V81-M87 HydrophobicContact CG2-CE 4.2Å; V81-M87 HydrophobicContact CG2-SD 4.29Å; M87-A89 HydrophobicContact CE-CB 4.16Å |
| 88 | R | 96.6 | Very high | 94 | Very high | 207 Ų | 207 | 62.3 Ų | 62.3 | 78% | 0.781 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 128 | 170.5 | -67.9 | -174.9 | 179.2 | -170.8 | 0.1 | 109.7 | ||
| 89 | A | 96.1 | Very high | 93.6 | Very high | 8 Ų | 8 | 66.9 Ų | 66.9 | 7% | 0.066 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 173.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | A49 I50 I52 V75 M87 | A49-A89 WeakPolarHBondContact CA-O 3.21Å; I50-A89 HydrophobicContact CD1-CB 3.97Å; I50-A89 HydrophobicContact CG1-CB 3.7Å; I50-A89 WeakPolarHBondContact CG1-O 3.48Å; I50-A89 PolarHBondContact N-O 3Å; I50-A89 PolarHBondContact O-N 2.84Å; I50-A89 VanDerWaalsContact O-O 3.12Å; I52-A89 HydrophobicContact CD1-CB 4.33Å; V75-A89 CarbonylContact O-C 3.58Å; V75-A89 WeakPolarHBondContact O-CA 3.46Å; V75-A89 WeakPolarHBondContact O-CB 3.19Å; M87-A89 HydrophobicContact CE-CB 4.16Å |
| 90 | E | 97.1 | Very high | 93.3 | Very high | 69 Ų | 69 | 72.7 Ų | 72.7 | 32% | 0.322 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 130.6 | -178.2 | -176.5 | 179.9 | -151.4 | 0 | 0 | 110.1 | S47 K48 A74 V75 | S47-E90 WeakPolarHBondContact CB-OE1 3.43Å; S47-E90 PolarHBondContact OG-OE1 3.07Å; K48-E90 WeakPolarHBondContact O-CA 3.45Å; A74-E90 CarbonylContact C-O 3.59Å; A74-E90 WeakPolarHBondContact CA-O 2.88Å; V75-E90 HydrophobicContact CB-CB 4.43Å; V75-E90 PolarHBondContact N-O 3.39Å; V75-E90 PolarHBondContact O-N 3.42Å |
| 91 | I | 97.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 125.8 | 164.6 | -65 | 169.2 | 0 | 0 | 0 | 107.4 | V36 L38 S47 K48 I50 L72 I108 I138 | V36-I91 HydrophobicContact CG1-CD1 4.11Å; V36-I91 HydrophobicContact CG2-CD1 4.01Å; L38-I91 HydrophobicContact CD1-CG2 3.84Å; S47-I91 CarbonylContact C-O 3.56Å; S47-I91 WeakPolarHBondContact CA-O 3.48Å; S47-I91 WeakPolarHBondContact CB-O 3.3Å; K48-I91 PolarHBondContact N-O 3.03Å; K48-I91 PolarHBondContact O-N 3.33Å; I50-I91 HydrophobicContact CD1-CD1 4.47Å; I50-I91 HydrophobicContact CD1-CG1 4.2Å; I50-I91 HydrophobicContact CG2-CD1 3.57Å; I50-I91 HydrophobicContact CG2-CG1 3.89Å; L72-I91 HydrophobicContact CD1-CG2 3.69Å; I91-I108 HydrophobicContact CB-CD1 4.02Å; I91-I108 HydrophobicContact CD1-CD1 3.78Å; I91-I108 HydrophobicContact CG1-CD1 3.61Å; I91-I108 HydrophobicContact CG2-CD1 3.29Å; I91-I138 HydrophobicContact CD1-CB 4.39Å; I91-I138 HydrophobicContact CD1-CD1 3.76Å; I91-I138 HydrophobicContact CD1-CG2 3.88Å |
| 92 | R | 97 | Very high | 93 | Very high | 83 Ų | 83 | 76.1 Ų | 76.1 | 31% | 0.313 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 127.1 | -179.9 | -171.8 | 175 | 68.4 | -161.3 | -2.7 | 111 | S46 V73 H94 | S46-R92 CarbonylContact O-C 3.58Å; S46-R92 WeakPolarHBondContact O-CA 3.44Å; V73-R92 HydrophobicContact CG2-CB 4.08Å; V73-R92 PolarHBondContact N-O 2.9Å; V73-R92 PolarHBondContact O-N 3.19Å; R92-H94 VanDerWaalsContact CZ-CE1 3.48Å; R92-H94 PolarHBondContact NE-CE1 2.93Å; R92-H94 VanDerWaalsContact NE-CE1 3.29Å; R92-H94 PolarHBondContact NH2-CE1 3.26Å; R92-H94 PolarHBondContact NH2-NE2 2.92Å |
| 93 | L | 96.7 | Very high | 92.6 | Very high | 2 Ų | 2 | 79 Ų | 79 | 1% | 0.01 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 114.9 | 164.5 | -177.8 | 67.1 | 0 | 0 | 0 | 108.7 | L38 P40 P45 S46 F71 F101 Y142 | L38-L93 HydrophobicContact CB-CB 4.47Å; L38-L93 HydrophobicContact CB-CD2 4.19Å; L38-L93 HydrophobicContact CD1-CB 3.92Å; P40-L93 HydrophobicContact CB-CD2 4.07Å; P45-L93 CarbonylContact C-O 3.55Å; P45-L93 VanDerWaalsContact CA-O 3.24Å; P45-L93 WeakPolarHBondContact CA-O 3.33Å; P45-L93 WeakPolarHBondContact CB-O 3.48Å; S46-L93 PolarHBondContact N-O 2.95Å; S46-L93 PolarHBondContact O-N 2.98Å; F71-L93 HydrophobicContact CB-CD1 3.79Å; F71-L93 CarbonylContact O-C 3.55Å; F71-L93 WeakPolarHBondContact O-CA 3.4Å; L93-F101 HydrophobicContact CD1-CE2 3.93Å; L93-Y142 HydrophobicContact CD1-CE1 4.06Å; L93-Y142 HydrophobicContact CD2-CD1 4.03Å; L93-Y142 HydrophobicContact CD2-CE1 3.8Å |
| 94 | H | 95.5 | Very high | 92.4 | Very high | 52 Ų | 52 | 82.8 Ų | 82.8 | 24% | 0.241 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 152.9 | 171.7 | -74.7 | -67.9 | 0 | 0 | 0 | 111.1 | F71 R92 I96 | F71-H94 PolarHBondContact O-CD2 2.99Å; F71-H94 PolarHBondContact O-N 3.35Å; R92-H94 VanDerWaalsContact CZ-CE1 3.48Å; R92-H94 PolarHBondContact NE-CE1 2.93Å; R92-H94 VanDerWaalsContact NE-CE1 3.29Å; R92-H94 PolarHBondContact NH2-CE1 3.26Å; R92-H94 PolarHBondContact NH2-NE2 2.92Å; H94-I96 PolarHBondContact O-N 3.28Å |
| 95 | R | 93.8 | Very high | 92.2 | Very high | 130 Ų | 130 | 82.1 Ų | 82.1 | 49% | 0.491 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 142.2 | 172.3 | 70.2 | -179.2 | -179.7 | -178.9 | 0.9 | 110.6 | S41 W97 | S41-R95 CarbonylContact O-C 3.59Å; S41-R95 WeakPolarHBondContact O-CA 3.46Å; R95-W97 HydrophobicContact CG-CE3 4.26Å |
| 96 | I | 92.6 | Very high | 92.1 | Very high | 5 Ų | 5 | 79.5 Ų | 79.5 | 3% | 0.026 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -79 | 125.3 | 176.8 | -60.7 | 167.8 | 0 | 0 | 0 | 108.3 | P40 S41 Y42 H94 N98 F101 I146 | P40-I96 HydrophobicContact CB-CD1 3.5Å; S41-I96 PolarHBondContact O-N 3.47Å; Y42-I96 WeakPolarHBondContact CA-O 3.28Å; Y42-I96 HydrophobicContact CD1-CB 3.92Å; Y42-I96 HydrophobicContact CD1-CG2 3.91Å; Y42-I96 WeakPolarHBondContact CD1-O 3.44Å; Y42-I96 HydrophobicContact CE1-CB 4.11Å; Y42-I96 HydrophobicContact CE1-CG2 3.65Å; H94-I96 PolarHBondContact O-N 3.28Å; I96-N98 WeakPolarHBondContact CG2-O 3.24Å; I96-F101 HydrophobicContact CD1-CB 4.12Å; I96-F101 HydrophobicContact CD1-CD1 3.35Å; I96-F101 HydrophobicContact CD1-CD2 3.94Å; I96-F101 HydrophobicContact CD1-CE1 3.64Å; I96-F101 HydrophobicContact CD1-CE2 4.2Å; I96-F101 HydrophobicContact CD1-CG 3.5Å; I96-F101 HydrophobicContact CD1-CZ 4.07Å; I96-F101 HydrophobicContact CG1-CB 4.06Å; I96-F101 HydrophobicContact CG1-CD1 4.16Å; I96-F101 HydrophobicContact CG1-CD2 3.98Å; I96-F101 HydrophobicContact CG1-CG 3.78Å; I96-F101 HydrophobicContact CG2-CB 3.83Å; I96-F101 HydrophobicContact CG2-CG 4.41Å; I96-I146 HydrophobicContact CD1-CD1 4Å; I96-I146 HydrophobicContact CD1-CG1 4.29Å; I96-I146 HydrophobicContact CD1-CG2 3.79Å |
| 97 | W | 87 | Confident | 92.1 | Very high | 137 Ų | 137 | 77.3 Ų | 77.3 | 52% | 0.519 | 34% | 0.339 | S | S | . | . | trans | -124.8 | -2.9 | -179.2 | 53.8 | 38.6 | 0 | 0 | 0 | 113.8 | V70 F71 R95 | V70-W97 HydrophobicContact CG1-CZ2 4.46Å; F71-W97 AromaticContact CE1-NE1 3.96Å; R95-W97 HydrophobicContact CG-CE3 4.26Å | ||
| 98 | N | 84 | Confident | 92.2 | Very high | 44 Ų | 44 | 75.6 Ų | 75.6 | 24% | 0.235 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -152.7 | 172.9 | -179.3 | 69 | 33.1 | 0 | 0 | 0 | 109.8 | F71 I96 K100 | F71-N98 VanDerWaalsContact CZ-OD1 3.31Å; F71-N98 WeakPolarHBondContact CZ-OD1 3.19Å; I96-N98 WeakPolarHBondContact CG2-O 3.24Å; N98-K100 PolarHBondContact O-N 3.42Å; N98-K100 WeakPolarHBondContact OD1-CA 3.36Å; N98-K100 WeakPolarHBondContact OD1-CB 3.13Å; N98-K100 PolarHBondContact OD1-N 2.94Å |
| 99 | N | 83.9 | Confident | 92.2 | Very high | 134 Ų | 134 | 67.4 Ų | 67.4 | 72% | 0.717 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | 9.9 | -177.5 | -60.3 | -9.2 | 0 | 0 | 0 | 113.5 | F101 M150 | N99-F101 VanDerWaalsContact C-N 3.27Å; N99-M150 WeakPolarHBondContact OD1-CE 3.28Å |
| 100 | K | 87.8 | Confident | 92.1 | Very high | 148 Ų | 148 | 67 Ų | 67 | 64% | 0.643 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -2.7 | 177.3 | -56.1 | -172.8 | 174.9 | -171.8 | 0 | 112.9 | F71 N98 H102 | F71-K100 HydrophobicContact CE2-CB 4.36Å; N98-K100 PolarHBondContact O-N 3.42Å; N98-K100 WeakPolarHBondContact OD1-CA 3.36Å; N98-K100 WeakPolarHBondContact OD1-CB 3.13Å; N98-K100 PolarHBondContact OD1-N 2.94Å; K100-H102 PolarHBondContact O-CD2 3.01Å; K100-H102 VanDerWaalsContact O-CD2 3.3Å; K100-H102 PolarHBondContact O-N 3.36Å |
| 101 | F | 89.6 | Confident | 92 | Very high | 22 Ų | 22 | 63.8 Ų | 63.8 | 10% | 0.096 | 28% | 0.283 | C | S | . | . | trans | -73.9 | 116.2 | 174.6 | 177.6 | -100.2 | 0 | 0 | 0 | 109.3 | P40 F71 L93 I96 N99 R103 Y142 I146 | P40-F101 HydrophobicContact CB-CE1 3.94Å; P40-F101 HydrophobicContact CB-CZ 3.87Å; P40-F101 HydrophobicContact CG-CE1 4.42Å; P40-F101 HydrophobicContact CG-CZ 4.46Å; F71-F101 HydrophobicContact CB-CD2 4.3Å; F71-F101 HydrophobicContact CD2-CB 4.22Å; F71-F101 AromaticContact CD2-CD2 3.98Å; F71-F101 HydrophobicContact CD2-CD2 3.98Å; F71-F101 HydrophobicContact CE2-CB 3.86Å; F71-F101 HydrophobicContact CE2-CD2 4.47Å; F71-F101 HydrophobicContact CG-CD2 4.04Å; F71-F101 HydrophobicContact CZ-CB 4.04Å; L93-F101 HydrophobicContact CD1-CE2 3.93Å; I96-F101 HydrophobicContact CD1-CB 4.12Å; I96-F101 HydrophobicContact CD1-CD1 3.35Å; I96-F101 HydrophobicContact CD1-CD2 3.94Å; I96-F101 HydrophobicContact CD1-CE1 3.64Å; I96-F101 HydrophobicContact CD1-CE2 4.2Å; I96-F101 HydrophobicContact CD1-CG 3.5Å; I96-F101 HydrophobicContact CD1-CZ 4.07Å; I96-F101 HydrophobicContact CG1-CB 4.06Å; I96-F101 HydrophobicContact CG1-CD1 4.16Å; I96-F101 HydrophobicContact CG1-CD2 3.98Å; I96-F101 HydrophobicContact CG1-CG 3.78Å; I96-F101 HydrophobicContact CG2-CB 3.83Å; I96-F101 HydrophobicContact CG2-CG 4.41Å; N99-F101 VanDerWaalsContact C-N 3.27Å; F101-R103 HydrophobicContact CE1-CB 3.88Å; F101-R103 HydrophobicContact CE1-CG 4.28Å; F101-Y142 HydrophobicContact CE2-CE1 4.19Å; F101-Y142 HydrophobicContact CE2-CE2 4.47Å; F101-Y142 HydrophobicContact CZ-CD1 4.05Å; F101-Y142 HydrophobicContact CZ-CD2 4.2Å; F101-Y142 HydrophobicContact CZ-CE1 4.06Å; F101-Y142 HydrophobicContact CZ-CE2 4.18Å; F101-Y142 HydrophobicContact CZ-CG 4.11Å; F101-I146 HydrophobicContact CD1-CD1 4.22Å; F101-I146 HydrophobicContact CE1-CD1 4.4Å | ||
| 102 | H | 88.1 | Confident | 91.8 | Very high | 113 Ų | 113 | 63.8 Ų | 63.8 | 52% | 0.523 | 28% | 0.283 | S | S | . | . | trans | -96.8 | 117.3 | 175.1 | -63.7 | -72.2 | 0 | 0 | 0 | 109 | Q68 K100 Q104 | Q68-H102 PolarHBondContact NE2-O 3.25Å; K100-H102 PolarHBondContact O-CD2 3.01Å; K100-H102 VanDerWaalsContact O-CD2 3.3Å; K100-H102 PolarHBondContact O-N 3.36Å; H102-Q104 VanDerWaalsContact C-N 3.25Å; H102-Q104 HydrophobicContact CB-CG 4.32Å; H102-Q104 PolarHBondContact O-N 3.13Å | ||
| 103 | R | 85.3 | Confident | 91.5 | Very high | 152 Ų | 152 | 60.8 Ų | 60.8 | 57% | 0.574 | 27% | 0.272 | S | S | * | . | trans | -85.4 | 67.9 | 178 | -167.8 | -173.7 | 64.4 | -157.5 | -8.3 | 110.1 | F101 R144 | F101-R103 HydrophobicContact CE1-CB 3.88Å; F101-R103 HydrophobicContact CE1-CG 4.28Å; R103-R144 PolarHBondContact NH1-O 3.18Å | ||
| 104 | Q | 88.7 | Confident | 91.1 | Very high | 116 Ų | 116 | 65 Ų | 65 | 54% | 0.542 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -120.3 | 168.8 | 175.1 | 65.4 | -173.5 | 18.5 | 0 | 0 | 110.3 | H102 D106 Y142 | H102-Q104 VanDerWaalsContact C-N 3.25Å; H102-Q104 HydrophobicContact CB-CG 4.32Å; H102-Q104 PolarHBondContact O-N 3.13Å; Q104-D106 PolarHBondContact O-N 3.39Å; Q104-Y142 VanDerWaalsContact O-CD2 3.24Å; Q104-Y142 WeakPolarHBondContact O-CD2 3.24Å; Q104-Y142 WeakPolarHBondContact O-CE2 3.37Å |
| 105 | D | 90.2 | Very high | 90.5 | Very high | 93 Ų | 93 | 63.4 Ų | 63.4 | 50% | 0.497 | 29% | 0.285 | S | S | . | . | trans | -64.7 | 123.7 | 172.1 | -81.7 | -2.5 | 0 | 0 | 0 | 108.7 | K141 | D105-K141 IonicContact OD1-NZ 2.81Å; D105-K141 WeakPolarHBondContact OD2-CE 3.39Å; D105-K141 IonicContact OD2-NZ 2.73Å; D105-K141 PolarHBondContact OD2-NZ 2.74Å | ||
| 106 | D | 95.2 | Very high | 89.6 | Confident | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.016 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 165.5 | -176 | -90 | -39 | 0 | 0 | 0 | 111.2 | T67 L72 Q104 V140 Y142 | T67-D106 WeakPolarHBondContact CB-OD1 3.36Å; T67-D106 WeakPolarHBondContact OG1-CB 3.2Å; T67-D106 VanDerWaalsContact OG1-CG 3.24Å; T67-D106 PolarHBondContact OG1-OD1 3.44Å; L72-D106 HydrophobicContact CD2-CB 3.91Å; Q104-D106 PolarHBondContact O-N 3.39Å; D106-V140 HydrophobicContact CB-CB 4.09Å; D106-V140 PolarHBondContact N-O 3.34Å; D106-V140 PolarHBondContact O-N 3.41Å; D106-Y142 HydrophobicContact CB-CE2 4.14Å; D106-Y142 VanDerWaalsContact OD2-CE2 3.24Å; D106-Y142 WeakPolarHBondContact OD2-CE2 3.39Å; D106-Y142 PolarHBondContact OD2-OH 3.06Å |
| 107 | H | 96.5 | Very high | 88.4 | Confident | 68 Ų | 68 | 68 Ų | 68 | 32% | 0.315 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 142 | 178.3 | -61.1 | -54.4 | 0 | 0 | 0 | 111.8 | S66 T67 I137 I138 | S66-H107 WeakPolarHBondContact CA-O 3.38Å; T67-H107 HydrophobicContact CG2-CB 3.93Å; T67-H107 PolarHBondContact N-O 3.45Å; T67-H107 VanDerWaalsContact N-O 3.13Å; T67-H107 PolarHBondContact OG1-N 3.5Å; T67-H107 PolarHBondContact OG1-O 2.99Å; H107-I137 HydrophobicContact CB-CG2 3.98Å; H107-I138 WeakPolarHBondContact CA-O 3.43Å |
| 108 | I | 96.5 | Very high | 87.1 | Confident | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 125.5 | 163.1 | -62.7 | -177.3 | 0 | 0 | 0 | 107.5 | V64 R65 L72 I91 F110 I137 I138 V140 | V64-I108 HydrophobicContact CG1-CG2 3.27Å; R65-I108 WeakPolarHBondContact O-CA 3.37Å; L72-I108 HydrophobicContact CD1-CD1 3.89Å; L72-I108 HydrophobicContact CD2-CD1 4.07Å; L72-I108 HydrophobicContact CD2-CG1 3.83Å; L72-I108 HydrophobicContact CG-CD1 3.8Å; L72-I108 HydrophobicContact CG-CG1 4.02Å; I91-I108 HydrophobicContact CB-CD1 4.02Å; I91-I108 HydrophobicContact CD1-CD1 3.78Å; I91-I108 HydrophobicContact CG1-CD1 3.61Å; I91-I108 HydrophobicContact CG2-CD1 3.29Å; I108-F110 HydrophobicContact CB-CE2 4.33Å; I108-F110 HydrophobicContact CG2-CD2 4.16Å; I108-F110 HydrophobicContact CG2-CE2 3.45Å; I108-F110 VanDerWaalsContact CG2-CE2 3.45Å; I108-F110 HydrophobicContact CG2-CZ 3.89Å; I108-I137 WeakPolarHBondContact O-CA 3.32Å; I108-I138 PolarHBondContact N-O 2.91Å; I108-I138 PolarHBondContact O-N 3.28Å; I108-V140 HydrophobicContact CD1-CG2 4.02Å; I108-V140 HydrophobicContact CG1-CG2 3.9Å |
| 109 | I | 96.3 | Very high | 85.8 | Confident | 35 Ų | 35 | 69.5 Ų | 69.5 | 18% | 0.179 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 119.8 | -172.7 | -56.4 | 167.9 | 0 | 0 | 0 | 107.5 | V64 R65 R135 I137 | V64-I109 WeakPolarHBondContact CA-O 3.33Å; R65-I109 PolarHBondContact N-O 2.92Å; R65-I109 PolarHBondContact O-N 3.25Å; I109-R135 VanDerWaalsContact CG2-CD 3.5Å; I109-R135 HydrophobicContact CG2-CG 3.59Å; I109-I137 HydrophobicContact CG1-CG1 4.44Å |
| 110 | F | 95.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 113.1 | 171.7 | -65.9 | -100.1 | 0 | 0 | 0 | 107.5 | V31 I50 I52 F62 V64 I108 F112 R135 K136 I138 | V31-F110 HydrophobicContact CG1-CD2 4.25Å; V31-F110 HydrophobicContact CG1-CE2 4.16Å; V31-F110 HydrophobicContact CG1-CZ 4.39Å; V31-F110 HydrophobicContact CG2-CG 4.45Å; I50-F110 HydrophobicContact CD1-CE1 3.86Å; I50-F110 HydrophobicContact CD1-CE2 4.14Å; I50-F110 HydrophobicContact CD1-CZ 3.28Å; I52-F110 HydrophobicContact CD1-CD1 4.04Å; I52-F110 HydrophobicContact CD1-CE1 3.85Å; I52-F110 HydrophobicContact CG1-CE1 4.5Å; F62-F110 HydrophobicContact CD2-CD1 4.31Å; V64-F110 HydrophobicContact CB-CE1 4.36Å; V64-F110 HydrophobicContact CG1-CD1 4.34Å; V64-F110 HydrophobicContact CG1-CE1 4.01Å; V64-F110 HydrophobicContact CG1-CE2 4.27Å; V64-F110 HydrophobicContact CG1-CZ 3.94Å; V64-F110 HydrophobicContact CG2-CD1 3.52Å; V64-F110 HydrophobicContact CG2-CE1 3.38Å; V64-F110 HydrophobicContact CG2-CG 4.38Å; V64-F110 HydrophobicContact CG2-CZ 4.15Å; I108-F110 HydrophobicContact CB-CE2 4.33Å; I108-F110 HydrophobicContact CG2-CD2 4.16Å; I108-F110 HydrophobicContact CG2-CE2 3.45Å; I108-F110 VanDerWaalsContact CG2-CE2 3.45Å; I108-F110 HydrophobicContact CG2-CZ 3.89Å; F110-F112 HydrophobicContact CB-CD2 4.29Å; F110-F112 HydrophobicContact CB-CE2 3.53Å; F110-F112 HydrophobicContact CB-CZ 3.95Å; F110-R135 CarbonylContact O-C 3.49Å; F110-R135 VanDerWaalsContact O-CA 3.31Å; F110-R135 WeakPolarHBondContact O-CA 3.34Å; F110-K136 HydrophobicContact CB-CB 4.38Å; F110-K136 PolarHBondContact N-O 3.49Å; F110-K136 PolarHBondContact O-N 3.19Å; F110-I138 HydrophobicContact CE2-CD1 3.77Å; F110-I138 HydrophobicContact CE2-CG1 4.14Å; F110-I138 HydrophobicContact CZ-CD1 4.38Å |
| 111 | D | 93.8 | Very high | 82.9 | Confident | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 124.6 | 169.8 | -62 | -59.2 | 0 | 0 | 0 | 107.8 | F62 N63 R65 Y113 V132 R135 | F62-D111 CarbonylContact C-O 3.48Å; F62-D111 VanDerWaalsContact CA-O 3.26Å; F62-D111 WeakPolarHBondContact CA-O 3.49Å; N63-D111 PolarHBondContact N-O 3.37Å; N63-D111 PolarHBondContact O-N 3.21Å; R65-D111 IonicContact CZ-OD2 3.49Å; R65-D111 IonicContact NE-OD2 3.69Å; R65-D111 PolarHBondContact NE-OD2 3.3Å; R65-D111 IonicContact NH2-OD1 2.88Å; R65-D111 PolarHBondContact NH2-OD1 2.88Å; R65-D111 IonicContact NH2-OD2 3.18Å; R65-D111 PolarHBondContact NH2-OD2 3.45Å; D111-Y113 HydrophobicContact CB-CE2 3.96Å; D111-Y113 WeakPolarHBondContact CB-OH 3.14Å; D111-Y113 WeakPolarHBondContact O-CE2 3.35Å; D111-V132 HydrophobicContact CB-CG1 4.04Å; D111-V132 HydrophobicContact CB-CG2 4.21Å; D111-R135 IonicContact OD1-CZ 2.71Å; D111-R135 IonicContact OD1-NE 3.48Å; D111-R135 PolarHBondContact OD1-NE 3.33Å; D111-R135 IonicContact OD1-NH2 3.13Å; D111-R135 PolarHBondContact OD1-NH2 3.28Å |
| 112 | F | 93 | Very high | 81.1 | Confident | 1 Ų | 1 | 75.1 Ų | 75.1 | 0% | 0.004 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 145.4 | -179.5 | -67.7 | -88.2 | 0 | 0 | 0 | 111 | V29 V31 I52 L60 S61 F62 F110 L133 C134 K136 | V29-F112 HydrophobicContact CG1-CD1 4.13Å; V29-F112 HydrophobicContact CG1-CD2 4.07Å; V29-F112 HydrophobicContact CG1-CE1 3.87Å; V29-F112 HydrophobicContact CG1-CE2 3.8Å; V29-F112 HydrophobicContact CG1-CG 4.23Å; V29-F112 HydrophobicContact CG1-CZ 3.7Å; V31-F112 HydrophobicContact CG2-CE2 3.93Å; V31-F112 HydrophobicContact CG2-CZ 3.68Å; I52-F112 HydrophobicContact CG2-CE1 3.72Å; I52-F112 HydrophobicContact CG2-CZ 3.81Å; L60-F112 HydrophobicContact CB-CD1 4.45Å; L60-F112 HydrophobicContact CD1-CD1 4.2Å; S61-F112 CarbonylContact O-C 3.55Å; S61-F112 WeakPolarHBondContact O-CA 3.46Å; F62-F112 HydrophobicContact CB-CD1 3.68Å; F62-F112 HydrophobicContact CB-CE1 3.67Å; F62-F112 HydrophobicContact CB-CG 4.4Å; F62-F112 HydrophobicContact CB-CZ 4.39Å; F62-F112 HydrophobicContact CG-CE1 4.37Å; F110-F112 HydrophobicContact CB-CD2 4.29Å; F110-F112 HydrophobicContact CB-CE2 3.53Å; F110-F112 HydrophobicContact CB-CZ 3.95Å; F112-L133 WeakPolarHBondContact O-CB 3.48Å; F112-L133 PolarHBondContact O-N 2.98Å; F112-C134 PolarHBondContact N-O 3.3Å; F112-K136 HydrophobicContact CE2-CB 4.15Å; F112-K136 HydrophobicContact CE2-CG 3.93Å |
| 113 | Y | 90.7 | Very high | 79.3 | Confident | 20 Ų | 20 | 74.4 Ų | 74.4 | 8% | 0.078 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 149.8 | 179.9 | -45.2 | -97.9 | 0 | 0 | 0 | 109.2 | L60 S61 N63 D111 T115 S130 V132 | L60-Y113 WeakPolarHBondContact CD2-O 3.37Å; S61-Y113 PolarHBondContact N-O 3.46Å; S61-Y113 PolarHBondContact O-N 3.5Å; S61-Y113 WeakPolarHBondContact OG-CB 3.47Å; S61-Y113 PolarHBondContact OG-O 3.5Å; N63-Y113 HydrophobicContact CB-CE2 4.15Å; D111-Y113 HydrophobicContact CB-CE2 3.96Å; D111-Y113 WeakPolarHBondContact CB-OH 3.14Å; D111-Y113 WeakPolarHBondContact O-CE2 3.35Å; Y113-T115 PolarHBondContact O-N 2.78Å; Y113-S130 WeakPolarHBondContact CD1-O 3.32Å; Y113-S130 VanDerWaalsContact CE1-O 3.32Å; Y113-S130 WeakPolarHBondContact CE1-O 3.36Å; Y113-V132 HydrophobicContact CD1-CG2 4.41Å; Y113-V132 HydrophobicContact CE1-CB 4.25Å; Y113-V132 HydrophobicContact CE1-CG2 3.54Å |
| 114 | K | 88.3 | Confident | 77.8 | Confident | 90 Ų | 90 | 74 Ų | 74 | 39% | 0.391 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 127.3 | 168.2 | -171.7 | 176.1 | -178.8 | -173.8 | 0 | 108.5 | Y58 | Y58-K114 HydrophobicContact CD2-CG 4Å; Y58-K114 HydrophobicContact CE2-CB 4.4Å; Y58-K114 HydrophobicContact CE2-CD 4.4Å; Y58-K114 HydrophobicContact CE2-CG 3.94Å |
| 115 | T | 83.7 | Confident | 76.1 | Confident | 19 Ų | 19 | 75.7 Ų | 75.7 | 12% | 0.117 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 129.2 | 175.2 | -58.8 | 0 | 0 | 0 | 0 | 108.9 | P59 S61 Y113 M127 | P59-T115 WeakPolarHBondContact O-CB 3.47Å; P59-T115 PolarHBondContact O-N 3.26Å; P59-T115 PolarHBondContact O-OG1 3.12Å; S61-T115 PolarHBondContact N-OG1 3.22Å; Y113-T115 PolarHBondContact O-N 2.78Å; T115-M127 HydrophobicContact CG2-CE 4.04Å |
| 116 | A | 75 | Confident | 74.2 | Confident | 58 Ų | 58 | 77.9 Ų | 77.9 | 48% | 0.479 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 140.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | N118 C119 | A116-N118 PolarHBondContact O-N 3.14Å; A116-C119 PolarHBondContact O-N 3.03Å; A116-C119 VanDerWaalsContact O-N 3.14Å |
| 117 | E | 67.7 | Low | 72.2 | Confident | 174 Ų | 174 | 79.7 Ų | 79.7 | 81% | 0.813 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -20 | -171.6 | -70.1 | 169.5 | -172.5 | 0 | 0 | 113.9 | ||
| 118 | N | 60.2 | Low | 70.2 | Confident | 153 Ų | 153 | 81.3 Ų | 81.3 | 82% | 0.818 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.1 | 17.3 | -175.5 | -60.5 | -28.8 | 0 | 0 | 0 | 114.4 | A116 E120 | A116-N118 PolarHBondContact O-N 3.14Å; N118-E120 PolarHBondContact O-N 3.2Å; N118-E120 VanDerWaalsContact O-N 3.12Å |
| 119 | C | 55.7 | Low | 68.2 | Low | 58 Ų | 58 | 86.7 Ų | 86.7 | 39% | 0.392 | 46% | 0.459 | S | S | . | . | trans | -80.1 | 96.9 | 178.1 | -83.2 | 0 | 0 | 0 | 0 | 111.4 | A116 T121 | A116-C119 PolarHBondContact O-N 3.03Å; A116-C119 VanDerWaalsContact O-N 3.14Å; C119-T121 PolarHBondContact O-N 2.92Å | ||
| 120 | E | 55.4 | Low | 66.8 | Low | 156 Ų | 156 | 87.5 Ų | 87.5 | 73% | 0.729 | 47% | 0.468 | S | S | * | . | trans | -56.6 | 136.3 | 157.9 | -68.2 | -174.5 | 162.3 | 0 | 0 | 109.4 | N118 D122 Q123 | N118-E120 PolarHBondContact O-N 3.2Å; N118-E120 VanDerWaalsContact O-N 3.12Å; E120-D122 PolarHBondContact O-N 3.17Å; E120-Q123 PolarHBondContact O-N 3.08Å | ||
| 121 | T | 54.8 | Low | 66 | Low | 123 Ų | 123 | 92.7 Ų | 92.7 | 76% | 0.755 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -8.1 | -168.9 | -31.7 | 0 | 0 | 0 | 0 | 115.6 | C119 | C119-T121 PolarHBondContact O-N 2.92Š|
| 122 | D | 52.5 | Low | 65.6 | Low | 144 Ų | 144 | 95.3 Ų | 95.3 | 77% | 0.77 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -8.2 | -171.4 | -73.5 | -24.8 | 0 | 0 | 0 | 115.2 | E120 K124 | E120-D122 PolarHBondContact O-N 3.17Å; D122-K124 PolarHBondContact O-N 2.88Å |
| 123 | Q | 50.2 | Low | 65.4 | Low | 98 Ų | 98 | 96.5 Ų | 96.5 | 46% | 0.458 | 53% | 0.526 | S | S | . | . | trans | -92.8 | 67.7 | 178.3 | -65.6 | -168.2 | 28.9 | 0 | 0 | 113.1 | E120 D125 | E120-Q123 PolarHBondContact O-N 3.08Å; Q123-D125 VanDerWaalsContact C-N 3.28Å; Q123-D125 PolarHBondContact O-N 3.29Å | ||
| 124 | K | 54.3 | Low | 65.4 | Low | 144 Ų | 144 | 96 Ų | 96 | 63% | 0.626 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -24.4 | -178.6 | -75.2 | 175.5 | 178.7 | 165.3 | 0 | 115.4 | D122 | D122-K124 PolarHBondContact O-N 2.88Š|
| 125 | D | 52 | Low | 65.7 | Low | 150 Ų | 150 | 97.8 Ų | 97.8 | 80% | 0.802 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -15.2 | -172.6 | -66.3 | -30.3 | 0 | 0 | 0 | 113.9 | Q123 | Q123-D125 VanDerWaalsContact C-N 3.28Å; Q123-D125 PolarHBondContact O-N 3.29Å |
| 126 | K | 51 | Low | 66.2 | Low | 139 Ų | 139 | 99.2 Ų | 99.2 | 60% | 0.604 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -89.4 | -11.9 | -175.5 | -66.1 | -164.4 | -167.2 | 160.6 | 0 | 115.1 | V128 S129 | K126-V128 PolarHBondContact O-N 3.47Å; K126-S129 PolarHBondContact O-OG 2.83Å |
| 127 | M | 53.6 | Low | 67.2 | Low | 41 Ų | 41 | 100.7 Ų | 100.7 | 20% | 0.202 | 53% | 0.533 | C | S | . | . | G | 310 helix | trans | -75.3 | -10.2 | 178.7 | -77 | -176.1 | 137.6 | 0 | 0 | 114 | S61 T115 S129 S130 | S61-M127 WeakPolarHBondContact CB-SD 3.47Å; S61-M127 WeakPolarHBondContact OG-CE 3.48Å; S61-M127 PolarHBondContact OG-SD 3.28Å; S61-M127 VanDerWaalsContact OG-SD 3.37Å; T115-M127 HydrophobicContact CG2-CE 4.04Å; M127-S129 PolarHBondContact O-N 3.49Å; M127-S130 PolarHBondContact O-N 3.15Å |
| 128 | V | 53.8 | Low | 68.6 | Low | 103 Ų | 103 | 92.4 Ų | 92.4 | 62% | 0.624 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -71.3 | -17.3 | -177.6 | -175.1 | 0 | 0 | 0 | 0 | 112.5 | K126 S130 | K126-V128 PolarHBondContact O-N 3.47Å; V128-S130 VanDerWaalsContact C-N 3.31Å; V128-S130 PolarHBondContact O-N 3.29Å |
| 129 | S | 54.9 | Low | 70.4 | Confident | 114 Ų | 114 | 93 Ų | 93 | 80% | 0.797 | 49% | 0.485 | S | S | * | . | G | 310 helix | trans | -80.2 | -9.2 | 177.1 | 58.1 | 0 | 0 | 0 | 0 | 114.2 | K126 M127 | K126-S129 PolarHBondContact O-OG 2.83Å; M127-S129 PolarHBondContact O-N 3.49Å |
| 130 | S | 66.4 | Low | 72.3 | Confident | 51 Ų | 51 | 90.2 Ų | 90.2 | 36% | 0.357 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -81.9 | 137.8 | 179.7 | -52.6 | 0 | 0 | 0 | 0 | 110.7 | Y113 M127 V128 V132 | Y113-S130 WeakPolarHBondContact CD1-O 3.32Å; Y113-S130 VanDerWaalsContact CE1-O 3.32Å; Y113-S130 WeakPolarHBondContact CE1-O 3.36Å; M127-S130 PolarHBondContact O-N 3.15Å; V128-S130 VanDerWaalsContact C-N 3.31Å; V128-S130 PolarHBondContact O-N 3.29Å; S130-V132 PolarHBondContact O-N 3.05Å |
| 131 | S | 79.3 | Confident | 74.3 | Confident | 109 Ų | 109 | 85.9 Ų | 85.9 | 76% | 0.762 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 130.5 | 170.3 | 56.6 | 0 | 0 | 0 | 0 | 110 | L133 | S131-L133 PolarHBondContact O-N 2.89Å; S131-L133 VanDerWaalsContact O-N 3.12Å |
| 132 | V | 85.5 | Confident | 76.2 | Confident | 56 Ų | 56 | 81.2 Ų | 81.2 | 34% | 0.339 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 117.5 | 175.6 | 179.5 | 0 | 0 | 0 | 0 | 108.8 | D111 Y113 S130 C134 | D111-V132 HydrophobicContact CB-CG1 4.04Å; D111-V132 HydrophobicContact CB-CG2 4.21Å; Y113-V132 HydrophobicContact CD1-CG2 4.41Å; Y113-V132 HydrophobicContact CE1-CB 4.25Å; Y113-V132 HydrophobicContact CE1-CG2 3.54Å; S130-V132 PolarHBondContact O-N 3.05Å; V132-C134 VanDerWaalsContact CG1-O 3.3Å; V132-C134 WeakPolarHBondContact CG1-O 3.45Å |
| 133 | L | 87.7 | Confident | 78.1 | Confident | 26 Ų | 26 | 75.6 Ų | 75.6 | 14% | 0.136 | 39% | 0.386 | C | S | . | . | trans | -69.2 | -48.5 | 179.3 | 178.9 | 68.8 | 0 | 0 | 0 | 110.8 | A25 L56 Y58 L60 F112 S131 | A25-L133 HydrophobicContact CB-CD1 3.76Å; A25-L133 HydrophobicContact CB-CD2 4.03Å; A25-L133 HydrophobicContact CB-CG 3.69Å; L56-L133 HydrophobicContact CD1-CD2 4.41Å; Y58-L133 HydrophobicContact CE2-CD2 4.28Å; L60-L133 HydrophobicContact CD2-CD2 3.58Å; F112-L133 WeakPolarHBondContact O-CB 3.48Å; F112-L133 PolarHBondContact O-N 2.98Å; S131-L133 PolarHBondContact O-N 2.89Å; S131-L133 VanDerWaalsContact O-N 3.12Å | ||
| 134 | C | 91.6 | Very high | 79.9 | Confident | 9 Ų | 9 | 81.9 Ų | 81.9 | 6% | 0.061 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 160.8 | 174.2 | 74.2 | 0 | 0 | 0 | 0 | 111.4 | F112 V132 | F112-C134 PolarHBondContact N-O 3.3Å; V132-C134 VanDerWaalsContact CG1-O 3.3Å; V132-C134 WeakPolarHBondContact CG1-O 3.45Å |
| 135 | R | 93.8 | Very high | 81.6 | Confident | 128 Ų | 128 | 85.3 Ų | 85.3 | 48% | 0.483 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 134.3 | 178.7 | -178 | 179.5 | -70.7 | 157.9 | 9.5 | 110.4 | I109 F110 D111 I137 | I109-R135 VanDerWaalsContact CG2-CD 3.5Å; I109-R135 HydrophobicContact CG2-CG 3.59Å; F110-R135 CarbonylContact O-C 3.49Å; F110-R135 VanDerWaalsContact O-CA 3.31Å; F110-R135 WeakPolarHBondContact O-CA 3.34Å; D111-R135 IonicContact OD1-CZ 2.71Å; D111-R135 IonicContact OD1-NE 3.48Å; D111-R135 PolarHBondContact OD1-NE 3.33Å; D111-R135 IonicContact OD1-NH2 3.13Å; D111-R135 PolarHBondContact OD1-NH2 3.28Å; R135-I137 HydrophobicContact CG-CG1 4.33Å |
| 136 | K | 95.1 | Very high | 83.3 | Confident | 49 Ų | 49 | 80.3 Ų | 80.3 | 21% | 0.213 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 141.3 | 171 | -61.8 | -64.2 | -174.8 | 175.6 | 0 | 110.6 | S26 V29 V31 F110 F112 | S26-K136 VanDerWaalsContact O-CE 3.23Å; S26-K136 WeakPolarHBondContact O-CE 3.39Å; S26-K136 PolarHBondContact O-NZ 2.97Å; S26-K136 PolarHBondContact OG-NZ 3.05Å; S26-K136 VanDerWaalsContact OG-NZ 3.08Å; V29-K136 WeakPolarHBondContact O-CE 3.47Å; V29-K136 PolarHBondContact O-NZ 3Å; V31-K136 HydrophobicContact CB-CB 4.25Å; V31-K136 HydrophobicContact CG2-CB 3.77Å; V31-K136 HydrophobicContact CG2-CG 3.97Å; F110-K136 HydrophobicContact CB-CB 4.38Å; F110-K136 PolarHBondContact N-O 3.49Å; F110-K136 PolarHBondContact O-N 3.19Å; F112-K136 HydrophobicContact CE2-CB 4.15Å; F112-K136 HydrophobicContact CE2-CG 3.93Å |
| 137 | I | 96 | Very high | 85.1 | Confident | 89 Ų | 89 | 78 Ų | 78 | 46% | 0.456 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 125.4 | -175.7 | -56.2 | 177.8 | 0 | 0 | 0 | 108.8 | H107 I108 I109 R135 | H107-I137 HydrophobicContact CB-CG2 3.98Å; I108-I137 WeakPolarHBondContact O-CA 3.32Å; I109-I137 HydrophobicContact CG1-CG1 4.44Å; R135-I137 HydrophobicContact CG-CG1 4.33Å |
| 138 | I | 96.9 | Very high | 86.6 | Confident | 1 Ų | 1 | 78 Ų | 78 | 1% | 0.005 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 128 | 167.3 | -63.8 | -178.9 | 0 | 0 | 0 | 108.5 | V31 P33 S34 V36 I50 I91 H107 I108 F110 | V31-I138 HydrophobicContact CG1-CD1 3.69Å; V31-I138 HydrophobicContact CG1-CG1 4.27Å; P33-I138 WeakPolarHBondContact O-CD1 3.41Å; S34-I138 WeakPolarHBondContact O-CA 3.11Å; V36-I138 HydrophobicContact CG1-CG2 4.12Å; V36-I138 HydrophobicContact CG2-CG2 3.93Å; I50-I138 HydrophobicContact CB-CD1 4.46Å; I50-I138 HydrophobicContact CD1-CD1 4.1Å; I50-I138 HydrophobicContact CG2-CD1 3.95Å; I91-I138 HydrophobicContact CD1-CB 4.39Å; I91-I138 HydrophobicContact CD1-CD1 3.76Å; I91-I138 HydrophobicContact CD1-CG2 3.88Å; H107-I138 WeakPolarHBondContact CA-O 3.43Å; I108-I138 PolarHBondContact N-O 2.91Å; I108-I138 PolarHBondContact O-N 3.28Å; F110-I138 HydrophobicContact CE2-CD1 3.77Å; F110-I138 HydrophobicContact CE2-CG1 4.14Å; F110-I138 HydrophobicContact CZ-CD1 4.38Å |
| 139 | R | 97.2 | Very high | 88 | Confident | 164 Ų | 164 | 80.7 Ų | 80.7 | 62% | 0.619 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 123.1 | 171.9 | -63.6 | -174.2 | 175.9 | 179 | -1.7 | 109.8 | S34 K35 V36 | S34-R139 PolarHBondContact O-N 2.89Å; K35-R139 CarbonylContact C-O 3.43Å; K35-R139 VanDerWaalsContact CA-O 3.28Å; K35-R139 WeakPolarHBondContact CA-O 3.26Å; K35-R139 HydrophobicContact CG-CB 4.5Å; V36-R139 PolarHBondContact N-O 3.37Å |
| 140 | V | 97 | Very high | 89.1 | Confident | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 119.8 | 177.2 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | V36 L38 L72 D106 I108 Y142 | V36-V140 HydrophobicContact CG2-CB 4.15Å; V36-V140 HydrophobicContact CG2-CG1 4.15Å; V36-V140 HydrophobicContact CG2-CG2 3.68Å; L38-V140 HydrophobicContact CD1-CG1 3.67Å; L38-V140 HydrophobicContact CG-CG1 4.21Å; L72-V140 HydrophobicContact CD1-CG1 4.25Å; L72-V140 HydrophobicContact CD1-CG2 4.47Å; L72-V140 HydrophobicContact CD2-CB 4.09Å; L72-V140 HydrophobicContact CD2-CG1 4.1Å; L72-V140 HydrophobicContact CD2-CG2 3.84Å; D106-V140 HydrophobicContact CB-CB 4.09Å; D106-V140 PolarHBondContact N-O 3.34Å; D106-V140 PolarHBondContact O-N 3.41Å; I108-V140 HydrophobicContact CD1-CG2 4.02Å; I108-V140 HydrophobicContact CG1-CG2 3.9Å; V140-Y142 HydrophobicContact CG1-CE1 3.88Å |
| 141 | K | 96.2 | Very high | 89.4 | Confident | 66 Ų | 66 | 85.3 Ų | 85.3 | 29% | 0.287 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 153.4 | 171.2 | -60.6 | -147.3 | 177.8 | -126.6 | 0 | 109.9 | K35 V36 L37 L38 D105 | K35-K141 VanDerWaalsContact CE-CD 3.47Å; K35-K141 VanDerWaalsContact CE-CE 3.47Å; V36-K141 PolarHBondContact O-N 2.96Å; L37-K141 WeakPolarHBondContact CA-O 3.33Å; L37-K141 HydrophobicContact CD1-CB 4Å; L38-K141 PolarHBondContact N-O 3.35Å; D105-K141 IonicContact OD1-NZ 2.81Å; D105-K141 WeakPolarHBondContact OD2-CE 3.39Å; D105-K141 IonicContact OD2-NZ 2.73Å; D105-K141 PolarHBondContact OD2-NZ 2.74Å |
| 142 | Y | 95.4 | Very high | 88.7 | Confident | 24 Ų | 24 | 91.3 Ų | 91.3 | 9% | 0.094 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 147.8 | 176.5 | -57.9 | -67.5 | 0 | 0 | 0 | 111.4 | L38 Q68 L93 F101 Q104 D106 V140 | L38-Y142 HydrophobicContact CB-CD1 4.22Å; L38-Y142 HydrophobicContact CB-CE1 4.36Å; L38-Y142 VanDerWaalsContact O-CA 3.32Å; L38-Y142 WeakPolarHBondContact O-CA 3.31Å; Q68-Y142 PolarHBondContact OE1-OH 3.45Å; L93-Y142 HydrophobicContact CD1-CE1 4.06Å; L93-Y142 HydrophobicContact CD2-CD1 4.03Å; L93-Y142 HydrophobicContact CD2-CE1 3.8Å; F101-Y142 HydrophobicContact CE2-CE1 4.19Å; F101-Y142 HydrophobicContact CE2-CE2 4.47Å; F101-Y142 HydrophobicContact CZ-CD1 4.05Å; F101-Y142 HydrophobicContact CZ-CD2 4.2Å; F101-Y142 HydrophobicContact CZ-CE1 4.06Å; F101-Y142 HydrophobicContact CZ-CE2 4.18Å; F101-Y142 HydrophobicContact CZ-CG 4.11Å; Q104-Y142 VanDerWaalsContact O-CD2 3.24Å; Q104-Y142 WeakPolarHBondContact O-CD2 3.24Å; Q104-Y142 WeakPolarHBondContact O-CE2 3.37Å; D106-Y142 HydrophobicContact CB-CE2 4.14Å; D106-Y142 VanDerWaalsContact OD2-CE2 3.24Å; D106-Y142 WeakPolarHBondContact OD2-CE2 3.39Å; D106-Y142 PolarHBondContact OD2-OH 3.06Å; V140-Y142 HydrophobicContact CG1-CE1 3.88Å |
| 143 | S | 92.8 | Very high | 87.6 | Confident | 27 Ų | 27 | 96.5 Ų | 96.5 | 19% | 0.189 | 43% | 0.428 | C | S | . | . | trans | -64.3 | 154.8 | 167.1 | 71.6 | 0 | 0 | 0 | 0 | 110.5 | L38 N39 P40 R145 | L38-S143 PolarHBondContact O-N 3.49Å; L38-S143 VanDerWaalsContact O-N 3.14Å; N39-S143 WeakPolarHBondContact OD1-CB 3.31Å; N39-S143 PolarHBondContact OD1-OG 2.85Å; P40-S143 WeakPolarHBondContact CD-OG 3.39Å; S143-R145 VanDerWaalsContact C-N 3.32Å; S143-R145 PolarHBondContact O-N 2.75Å; S143-R145 PolarHBondContact OG-O 2.92Å | ||
| 144 | R | 87.9 | Confident | 85.7 | Confident | 229 Ų | 229 | 100.4 Ų | 100.4 | 86% | 0.864 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -65.1 | -33.2 | -173.4 | -70.6 | -176.1 | 178.2 | -178.9 | -0.3 | 112.8 | R103 | R103-R144 PolarHBondContact NH1-O 3.18Š|
| 145 | R | 88.7 | Confident | 83.8 | Confident | 216 Ų | 216 | 106.3 Ų | 106.3 | 82% | 0.815 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -105.2 | 139 | -176.5 | -65.8 | -176.8 | 177.5 | 179.5 | -0.5 | 109.9 | S143 | S143-R145 VanDerWaalsContact C-N 3.32Å; S143-R145 PolarHBondContact O-N 2.75Å; S143-R145 PolarHBondContact OG-O 2.92Å |
| 146 | I | 89.3 | Confident | 81.5 | Confident | 46 Ų | 46 | 105.5 Ų | 105.5 | 24% | 0.236 | 50% | 0.498 | C | S | . | . | trans | -84.5 | 123.1 | 168.5 | -56.6 | 174.4 | 0 | 0 | 0 | 107.1 | P40 Y42 I96 F101 | P40-I146 HydrophobicContact CB-CG1 4.09Å; P40-I146 HydrophobicContact CB-CG2 4.26Å; P40-I146 HydrophobicContact CG-CG1 3.98Å; P40-I146 CarbonylContact O-C 3.57Å; P40-I146 WeakPolarHBondContact O-CA 3.39Å; Y42-I146 HydrophobicContact CD2-CB 4.45Å; Y42-I146 HydrophobicContact CD2-CG2 3.52Å; Y42-I146 HydrophobicContact CE1-CG2 4.31Å; Y42-I146 HydrophobicContact CE2-CB 3.84Å; Y42-I146 HydrophobicContact CE2-CG2 3.28Å; Y42-I146 HydrophobicContact CG-CG2 4.16Å; I96-I146 HydrophobicContact CD1-CD1 4Å; I96-I146 HydrophobicContact CD1-CG1 4.29Å; I96-I146 HydrophobicContact CD1-CG2 3.79Å; F101-I146 HydrophobicContact CD1-CD1 4.22Å; F101-I146 HydrophobicContact CE1-CD1 4.4Å | ||
| 147 | E | 88.1 | Confident | 79 | Confident | 89 Ų | 89 | 108.5 Ų | 108.5 | 42% | 0.416 | 52% | 0.524 | S | S | . | . | B | Isolated β-bridge | trans | -73.9 | 142.5 | -178.2 | -67.5 | 175.8 | -171.2 | 0 | 0 | 112 | N39 P40 S41 Y42 | N39-E147 PolarHBondContact ND2-OE1 2.77Å; P40-E147 PolarHBondContact O-N 2.8Å; S41-E147 CarbonylContact C-O 3.51Å; S41-E147 WeakPolarHBondContact CA-O 3.46Å; Y42-E147 PolarHBondContact N-O 2.96Å |
| 148 | G | 85.4 | Confident | 76.7 | Confident | 41 Ų | 41 | 115.2 Ų | 115.2 | 42% | 0.423 | 54% | 0.544 | S | S | . | . | S | Bend | trans | 80 | -178.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y42 | Y42-G148 WeakPolarHBondContact CD2-O 3.48Š|
| 149 | E | 82.4 | Confident | 74.3 | Confident | 160 Ų | 160 | 123.4 Ų | 123.4 | 75% | 0.748 | 58% | 0.582 | S | S | * | * | trans | -105.1 | 135.4 | 179.2 | -64.4 | -179.4 | 170.2 | 0 | 0 | 110.9 | K151 | E149-K151 PolarHBondContact O-N 3.49Å; E149-K151 VanDerWaalsContact O-N 3.17Å | ||
| 150 | M | 79.1 | Confident | 71.8 | Confident | 78 Ų | 78 | 126.2 Ų | 126.2 | 38% | 0.384 | 59% | 0.592 | S | S | . | * | trans | -66.6 | 116 | 170.3 | -170 | 179.3 | -175.2 | 0 | 0 | 108.2 | Y42 N99 R152 | Y42-M150 HydrophobicContact CD1-CB 3.88Å; Y42-M150 HydrophobicContact CD1-CG 4.07Å; Y42-M150 HydrophobicContact CD2-CB 4.45Å; Y42-M150 HydrophobicContact CE1-CB 3.8Å; Y42-M150 HydrophobicContact CE1-CG 4Å; Y42-M150 HydrophobicContact CE1-SD 4.31Å; Y42-M150 HydrophobicContact CE2-CB 4.36Å; Y42-M150 HydrophobicContact CG-CB 4.22Å; N99-M150 WeakPolarHBondContact OD1-CE 3.28Å; M150-R152 PolarHBondContact O-N 2.89Å | ||
| 151 | K | 72 | Confident | 69.4 | Low | 185 Ų | 185 | 132.4 Ų | 132.4 | 80% | 0.804 | 63% | 0.63 | S | S | * | * | trans | -60.6 | 109.9 | 172.4 | -68.2 | -171.9 | 179.3 | -173.6 | 0 | 107.9 | E149 L153 | E149-K151 PolarHBondContact O-N 3.49Å; E149-K151 VanDerWaalsContact O-N 3.17Å; K151-L153 PolarHBondContact O-N 2.76Å | ||
| 152 | R | 65.7 | Low | 67.2 | Low | 235 Ų | 235 | 136.3 Ų | 136.3 | 89% | 0.887 | 65% | 0.653 | S | S | * | * | trans | -55.1 | 117.3 | 166.6 | -71.5 | -175 | 179.7 | -179.7 | 0.6 | 106 | M150 S154 | M150-R152 PolarHBondContact O-N 2.89Å; R152-S154 PolarHBondContact O-N 3.38Å | ||
| 153 | L | 60.6 | Low | 64.5 | Low | 165 Ų | 165 | 139 Ų | 139 | 86% | 0.864 | 69% | 0.688 | S | S | * | * | trans | -64.6 | 90.4 | 165 | -68.6 | 171.6 | 0 | 0 | 0 | 105.1 | K151 I155 | K151-L153 PolarHBondContact O-N 2.76Å; L153-I155 PolarHBondContact O-N 2.85Å | ||
| 154 | S | 49.2 | Very low | 62.1 | Low | 107 Ų | 107 | 140.6 Ų | 140.6 | 75% | 0.748 | 71% | 0.709 | S | S | * | * | trans | -64.6 | 92.5 | 161.8 | 45.7 | 0 | 0 | 0 | 0 | 105.5 | R152 P156 | R152-S154 PolarHBondContact O-N 3.38Å; S154-P156 VanDerWaalsContact O-CD 3.27Å; S154-P156 WeakPolarHBondContact O-CD 3.4Å | ||
| 155 | I | 50.9 | Low | 60.1 | Low | 133 Ų | 133 | 139.4 Ų | 139.4 | 68% | 0.682 | 71% | 0.71 | S | S | * | * | trans | -55.8 | 120.2 | 153.1 | -59.3 | 172.7 | 0 | 0 | 0 | 103 | L153 C157 | L153-I155 PolarHBondContact O-N 2.85Å; I155-C157 PolarHBondContact O-N 3.25Å | ||
| 156 | P | 44.8 | Very low | 58.1 | Low | 112 Ų | 112 | 139.4 Ų | 139.4 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | trans | -62.9 | 97.4 | 166.5 | 12.1 | -5.9 | 0 | 0 | 0 | 105.2 | S154 R158 | S154-P156 VanDerWaalsContact O-CD 3.27Å; S154-P156 WeakPolarHBondContact O-CD 3.4Å; P156-R158 PolarHBondContact O-N 2.55Å | ||
| 157 | C | 42.8 | Very low | 56.1 | Low | 112 Ų | 112 | 146.3 Ų | 146.3 | 76% | 0.757 | 74% | 0.744 | S | S | * | * | trans | -58.9 | 93.6 | 158.1 | -73.1 | 0 | 0 | 0 | 0 | 104.4 | I155 Q159 | I155-C157 PolarHBondContact O-N 3.25Å; C157-Q159 PolarHBondContact O-N 3.49Å | ||
| 158 | R | 48.2 | Very low | 54.2 | Low | 230 Ų | 230 | 151.1 Ų | 151.1 | 87% | 0.868 | 76% | 0.764 | S | S | * | * | trans | -57.8 | 96.3 | 154.6 | -83.1 | -175.3 | 169.1 | -175.3 | -4 | 103.8 | P156 R160 | P156-R158 PolarHBondContact O-N 2.55Å; R158-R160 PolarHBondContact O-N 3.33Å | ||
| 159 | Q | 45.9 | Very low | 52.5 | Low | 172 Ų | 172 | 155.4 Ų | 155.4 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -52.8 | 96.5 | 155.7 | -83.6 | 177.4 | -8.7 | 0 | 0 | 104.8 | C157 T161 | C157-Q159 PolarHBondContact O-N 3.49Å; Q159-T161 PolarHBondContact O-N 3.44Å | ||
| 160 | R | 44.9 | Very low | 51 | Low | 223 Ų | 223 | 153.8 Ų | 153.8 | 84% | 0.842 | 77% | 0.772 | S | S | * | * | trans | -67.3 | 87.7 | 156.2 | -80.4 | -177.9 | 169.3 | 170.7 | -3.4 | 103.9 | R158 I162 | R158-R160 PolarHBondContact O-N 3.33Å; R160-I162 HydrophobicContact CB-CG1 4.38Å; R160-I162 PolarHBondContact O-N 2.81Å | ||
| 161 | T | 47.5 | Very low | 49.4 | Very low | 130 Ų | 130 | 158.6 Ų | 158.6 | 80% | 0.798 | 79% | 0.791 | S | S | * | * | trans | -60.3 | 89.5 | 153.4 | 10.3 | 0 | 0 | 0 | 0 | 105.4 | Q159 G163 | Q159-T161 PolarHBondContact O-N 3.44Å; T161-G163 PolarHBondContact O-N 2.87Å | ||
| 162 | I | 49.1 | Very low | 48.2 | Very low | 149 Ų | 149 | 155.8 Ų | 155.8 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | trans | -69.1 | 92.1 | 159.2 | -63 | 175.8 | 0 | 0 | 0 | 103.9 | R160 G164 | R160-I162 HydrophobicContact CB-CG1 4.38Å; R160-I162 PolarHBondContact O-N 2.81Å; I162-G164 PolarHBondContact O-N 3.12Å; I162-G164 VanDerWaalsContact O-N 3.12Å | ||
| 163 | G | 39.6 | Very low | 47.5 | Very low | 80 Ų | 80 | 154.8 Ų | 154.8 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | trans | -57.6 | 110.3 | 161.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | T161 | T161-G163 PolarHBondContact O-N 2.87Š| ||
| 164 | G | 42.2 | Very low | 46.8 | Very low | 61 Ų | 61 | 152.8 Ų | 152.8 | 63% | 0.629 | 78% | 0.781 | S | S | * | * | trans | -159.6 | 76.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | I162 | I162-G164 PolarHBondContact O-N 3.12Å; I162-G164 VanDerWaalsContact O-N 3.12Å | ||
| 165 | K | 45.5 | Very low | 46.8 | Very low | 204 Ų | 204 | 156.1 Ų | 156.1 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | trans | 24.4 | 109.7 | 154.4 | -63.5 | 177.9 | 178.7 | 177.6 | 0 | 116.4 | ||||
| 166 | K | 47.3 | Very low | 46.6 | Very low | 215 Ų | 215 | 161.9 Ų | 161.9 | 94% | 0.935 | 80% | 0.798 | S | S | * | * | trans | -156.1 | 122.6 | 135.7 | -107.9 | 164.9 | -172.1 | -174.4 | 0 | 110.6 | ||||
| 167 | K | 46.7 | Very low | 46.8 | Very low | 192 Ų | 192 | 165.2 Ų | 165.2 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -51 | 143.6 | 172.7 | -62.3 | 169 | 172.3 | 179.9 | 0 | 110.6 | ||||
| 168 | F | 47.7 | Very low | 47.1 | Very low | 190 Ų | 190 | 169.7 Ų | 169.7 | 83% | 0.833 | 81% | 0.807 | S | S | * | * | trans | 174.9 | 92.3 | 143.9 | -91.4 | -68.9 | 0 | 0 | 0 | 105.8 | ||||
| 169 | I | 50.3 | Low | 46.9 | Very low | 131 Ų | 131 | 165.9 Ų | 165.9 | 67% | 0.672 | 80% | 0.804 | S | S | * | * | 76.7 | 115 | 95.6 | -68.6 | 178.2 | 0 | 0 | 0 | 113.3 | |||||
| 170 | N | 50.4 | Low | 47.1 | Very low | 126 Ų | 126 | 165.5 Ų | 165.5 | 67% | 0.674 | 81% | 0.806 | S | S | * | * | trans | 78.8 | 120.5 | 150.1 | -69.9 | -15.4 | 0 | 0 | 0 | 123.3 | ||||
| 171 | K | 46.6 | Very low | 47.2 | Very low | 179 Ų | 179 | 160.5 Ų | 160.5 | 78% | 0.778 | 80% | 0.803 | S | S | * | * | trans | 60 | 121.1 | 135.3 | -61.1 | 175.3 | 177.1 | 179.6 | 0 | 114.9 | ||||
| 172 | D | 47.1 | Very low | 46.9 | Very low | 125 Ų | 125 | 165.3 Ų | 165.3 | 67% | 0.668 | 81% | 0.806 | S | S | * | * | -173.8 | 152.9 | 57.9 | -136.3 | -15 | 0 | 0 | 0 | 111.1 | |||||
| 173 | R | 50.7 | Low | 46.7 | Very low | 214 Ų | 214 | 167.7 Ų | 167.7 | 81% | 0.808 | 81% | 0.814 | S | S | * | * | trans | 54.6 | 122.5 | 146.8 | -77.6 | 160.6 | -176.8 | -162.9 | -2.9 | 122.9 | ||||
| 174 | S | 46.4 | Very low | 46.8 | Very low | 123 Ų | 123 | 169.9 Ų | 169.9 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | 102.9 | 105 | 139.8 | 84.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 175 | Q | 48.7 | Very low | 47.1 | Very low | 178 Ų | 178 | 172.7 Ų | 172.7 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | trans | -74.9 | 120.8 | 174.6 | -60.1 | 179.9 | -5.6 | 0 | 0 | 110 | ||||
| 176 | R | 46.9 | Very low | 47.1 | Very low | 253 Ų | 253 | 168.3 Ų | 168.3 | 96% | 0.955 | 82% | 0.816 | S | S | * | * | trans | -133.6 | 94 | 147.3 | -92 | -172.5 | 171.5 | -175.7 | -1.6 | 108.7 | ||||
| 177 | K | 47.5 | Very low | 47.3 | Very low | 183 Ų | 183 | 166.4 Ų | 166.4 | 80% | 0.796 | 82% | 0.815 | S | S | * | * | trans | -71.4 | 117.8 | 166.4 | -74 | 178.4 | 175.2 | 176.9 | 0 | 108.7 | ||||
| 178 | K | 50.2 | Low | 47.2 | Very low | 206 Ų | 206 | 160.4 Ų | 160.4 | 90% | 0.896 | 81% | 0.808 | S | S | * | * | trans | -131.4 | 114 | 148.7 | -86.6 | -168.9 | 176.8 | -178.8 | 0 | 109 | ||||
| 179 | N | 44 | Very low | 47 | Very low | 150 Ų | 150 | 160.3 Ų | 160.3 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | trans | -61.1 | 130.6 | 176 | -62.2 | -39.4 | 0 | 0 | 0 | 110.6 | ||||
| 180 | I | 50.2 | Low | 46.8 | Very low | 163 Ų | 163 | 166 Ų | 166 | 84% | 0.836 | 82% | 0.823 | S | S | * | * | trans | -134.6 | 116 | 152.5 | -59.9 | -179 | 0 | 0 | 0 | 107.5 | ||||
| 181 | P | 47.6 | Very low | 46.6 | Very low | 119 Ų | 119 | 165.5 Ų | 165.5 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | trans | -77.2 | 142.5 | -178.1 | 27.1 | -28.3 | 0 | 0 | 0 | 112.7 | ||||
| 182 | R | 40.4 | Very low | 46.9 | Very low | 231 Ų | 231 | 168.2 Ų | 168.2 | 87% | 0.872 | 84% | 0.835 | S | S | * | * | trans | -57.7 | 129.8 | 169.1 | -85.4 | 173 | 165.4 | 173.3 | -4.6 | 111.2 | ||||
| 183 | Q | 45.5 | Very low | 46.8 | Very low | 198 Ų | 198 | 168.3 Ų | 168.3 | 93% | 0.925 | 85% | 0.845 | S | S | * | * | trans | -99.2 | 115.8 | 146.9 | -80.3 | -173.4 | -7.9 | 0 | 0 | 108.5 | ||||
| 184 | T | 41.7 | Very low | 46.9 | Very low | 126 Ų | 126 | 162.3 Ų | 162.3 | 77% | 0.773 | 84% | 0.836 | S | S | * | * | trans | -98.6 | 127.3 | 165.3 | 39.3 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 185 | S | 47.6 | Very low | 47 | Very low | 120 Ų | 120 | 161 Ų | 161 | 84% | 0.839 | 83% | 0.827 | S | S | * | * | trans | -113.3 | 120 | 159.3 | 52.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 186 | S | 46 | Very low | 47 | Very low | 112 Ų | 112 | 158.5 Ų | 158.5 | 78% | 0.783 | 83% | 0.829 | S | S | * | * | trans | -63.7 | 133.9 | 174.7 | 42.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 187 | I | 50.8 | Low | 47.4 | Very low | 175 Ų | 175 | 151.2 Ų | 151.2 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | trans | -136.7 | 125.9 | 147.7 | -65.9 | -174.9 | 0 | 0 | 0 | 107.1 | ||||
| 188 | G | 45.3 | Very low | 48 | Very low | 67 Ų | 67 | 148.6 Ų | 148.6 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | trans | -71.1 | 156.8 | -165.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 189 | E | 44.1 | Very low | 48.5 | Very low | 188 Ų | 188 | 144.6 Ų | 144.6 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | trans | -33.4 | 138.3 | 159.1 | -56.8 | 169.2 | 149.2 | 0 | 0 | 114.1 | ||||
| 190 | R | 45.7 | Very low | 49.3 | Very low | 250 Ų | 250 | 140.8 Ų | 140.8 | 94% | 0.943 | 78% | 0.778 | S | S | * | * | -160.4 | 109.9 | 125.3 | -113.2 | 173 | -178.4 | -177.4 | 0.1 | 110.4 | R192 | R190-R192 PolarHBondContact O-N 3.42Š| |||
| 191 | S | 46.1 | Very low | 49.8 | Very low | 115 Ų | 115 | 142 Ų | 142 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -49.8 | 126.2 | 164.2 | -49.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 192 | R | 52.5 | Low | 51 | Low | 237 Ų | 237 | 145.7 Ų | 145.7 | 89% | 0.894 | 78% | 0.781 | S | S | * | * | trans | -137.6 | 99.2 | 149.3 | -82.8 | -170 | 169.5 | 168.8 | -4.3 | 107.9 | R190 S194 | R190-R192 PolarHBondContact O-N 3.42Å; R192-S194 PolarHBondContact O-N 3.13Å | ||
| 193 | S | 45.6 | Very low | 51.8 | Low | 126 Ų | 126 | 139.6 Ų | 139.6 | 88% | 0.881 | 76% | 0.761 | S | S | * | * | trans | -45.8 | 116.2 | 150.4 | 42.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 194 | S | 51.3 | Low | 52.7 | Low | 88 Ų | 88 | 135.8 Ų | 135.8 | 62% | 0.615 | 75% | 0.754 | S | S | * | * | trans | -145.5 | 127.5 | 161.6 | 92 | 0 | 0 | 0 | 0 | 108.3 | R192 | R192-S194 PolarHBondContact O-N 3.13Š| ||
| 195 | S | 48.9 | Very low | 53.5 | Low | 97 Ų | 97 | 134.7 Ų | 134.7 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | trans | -31.3 | 132.1 | -176.1 | 55.7 | 0 | 0 | 0 | 0 | 115.3 | D197 | S195-D197 VanDerWaalsContact C-N 3.31Å; S195-D197 PolarHBondContact O-N 3.41Å; S195-D197 VanDerWaalsContact O-N 3.16Å | ||
| 196 | S | 50 | Low | 54.3 | Low | 125 Ų | 125 | 135 Ų | 135 | 87% | 0.874 | 75% | 0.749 | S | S | * | * | trans | -79.1 | 78.2 | 166.8 | 49.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 197 | D | 54.5 | Low | 55.3 | Low | 99 Ų | 99 | 132.5 Ų | 132.5 | 53% | 0.529 | 73% | 0.729 | S | S | . | * | trans | -107.4 | 109.3 | 161.2 | -159.9 | -19.8 | 0 | 0 | 0 | 108.9 | S195 L199 | S195-D197 VanDerWaalsContact C-N 3.31Å; S195-D197 PolarHBondContact O-N 3.41Å; S195-D197 VanDerWaalsContact O-N 3.16Å; D197-L199 PolarHBondContact O-N 2.61Å; D197-L199 VanDerWaalsContact O-N 3.14Å; D197-L199 PolarHBondContact OD1-N 2.63Å | ||
| 198 | P | 60.6 | Low | 56.6 | Low | 128 Ų | 128 | 127.1 Ų | 127.1 | 83% | 0.831 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -0.8 | -179 | 27.2 | -32 | 0 | 0 | 0 | 114 | ||
| 199 | L | 60.2 | Low | 58.2 | Low | 123 Ų | 123 | 129.4 Ų | 129.4 | 64% | 0.644 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.5 | 10.5 | -179.5 | -67.6 | 170.8 | 0 | 0 | 0 | 114.9 | D197 F201 | D197-L199 PolarHBondContact O-N 2.61Å; D197-L199 VanDerWaalsContact O-N 3.14Å; D197-L199 PolarHBondContact OD1-N 2.63Å; L199-F201 HydrophobicContact CD2-CE2 4.41Å; L199-F201 WeakPolarHBondContact O-CD2 3.48Å; L199-F201 PolarHBondContact O-N 3.03Å |
| 200 | D | 61.1 | Low | 59.6 | Low | 70 Ų | 70 | 128.1 Ų | 128.1 | 37% | 0.374 | 69% | 0.694 | S | S | . | * | trans | -78.1 | 86.4 | 175.2 | -169.8 | 5.2 | 0 | 0 | 0 | 111.9 | K202 K203 | D200-K202 PolarHBondContact O-N 3.39Å; D200-K202 VanDerWaalsContact O-N 3.12Å; D200-K202 PolarHBondContact OD1-N 3.28Å; D200-K203 PolarHBondContact O-N 3.06Å; D200-K203 VanDerWaalsContact OD2-CE 3.27Å; D200-K203 WeakPolarHBondContact OD2-CE 3.25Å; D200-K203 IonicContact OD2-NZ 3.52Å | ||
| 201 | F | 61.1 | Low | 61.2 | Low | 187 Ų | 187 | 119.3 Ų | 119.3 | 82% | 0.82 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -7.5 | 178.2 | -68.8 | -83.2 | 0 | 0 | 0 | 114.5 | L199 K203 | L199-F201 HydrophobicContact CD2-CE2 4.41Å; L199-F201 WeakPolarHBondContact O-CD2 3.48Å; L199-F201 PolarHBondContact O-N 3.03Å; F201-K203 VanDerWaalsContact C-N 3.33Å |
| 202 | K | 72.1 | Confident | 62.7 | Low | 198 Ų | 198 | 120.9 Ų | 120.9 | 86% | 0.861 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -17.4 | 176 | -68.9 | -169.8 | 178.3 | -177.7 | 0 | 113.1 | D200 | D200-K202 PolarHBondContact O-N 3.39Å; D200-K202 VanDerWaalsContact O-N 3.12Å; D200-K202 PolarHBondContact OD1-N 3.28Å |
| 203 | K | 58 | Low | 64.1 | Low | 103 Ų | 103 | 117 Ų | 117 | 45% | 0.448 | 64% | 0.641 | S | S | . | * | S | Bend | trans | -89.2 | 127.6 | 177.1 | -67.5 | 176.9 | -172.2 | 167.1 | 0 | 109.3 | D200 F201 C205 | D200-K203 PolarHBondContact O-N 3.06Å; D200-K203 VanDerWaalsContact OD2-CE 3.27Å; D200-K203 WeakPolarHBondContact OD2-CE 3.25Å; D200-K203 IonicContact OD2-NZ 3.52Å; F201-K203 VanDerWaalsContact C-N 3.33Å; K203-C205 PolarHBondContact O-N 3.12Å; K203-C205 VanDerWaalsContact O-N 3.08Å |
| 204 | P | 62.6 | Low | 65.8 | Low | 118 Ų | 118 | 113.8 Ų | 113.8 | 77% | 0.766 | 62% | 0.623 | S | S | * | * | trans | -56.8 | 123.4 | 174.9 | 22.4 | -31.2 | 0 | 0 | 0 | 108.5 | ||||
| 205 | C | 58.8 | Low | 67.4 | Low | 103 Ų | 103 | 114.3 Ų | 114.3 | 70% | 0.696 | 62% | 0.618 | S | S | * | * | trans | -45.9 | 135.1 | -176.8 | -56.9 | 0 | 0 | 0 | 0 | 109.8 | K203 T207 | K203-C205 PolarHBondContact O-N 3.12Å; K203-C205 VanDerWaalsContact O-N 3.08Å; C205-T207 PolarHBondContact O-N 3.14Å | ||
| 206 | P | 64.8 | Low | 69.2 | Low | 125 Ų | 125 | 117.1 Ų | 117.1 | 81% | 0.812 | 62% | 0.618 | S | S | * | * | trans | -61.4 | 89.1 | -179.5 | 23.1 | -31.6 | 0 | 0 | 0 | 110 | ||||
| 207 | T | 68 | Low | 70.9 | Confident | 60 Ų | 60 | 119.7 Ų | 119.7 | 37% | 0.368 | 61% | 0.609 | S | S | . | * | trans | -70.6 | 131.3 | 172.7 | 32.5 | 0 | 0 | 0 | 0 | 108 | C205 V211 R212 | C205-T207 PolarHBondContact O-N 3.14Å; T207-V211 HydrophobicContact CG2-CB 4.36Å; T207-V211 HydrophobicContact CG2-CG1 3.78Å; T207-R212 PolarHBondContact O-NE 3.14Å; T207-R212 VanDerWaalsContact O-NE 3.16Å; T207-R212 WeakPolarHBondContact OG1-CG 3.43Å; T207-R212 PolarHBondContact OG1-NE 2.83Å | ||
| 208 | S | 78.2 | Confident | 72.4 | Confident | 62 Ų | 62 | 116.9 Ų | 116.9 | 43% | 0.434 | 60% | 0.603 | S | S | . | * | trans | -54.8 | 151.3 | 178.3 | 95.4 | 0 | 0 | 0 | 0 | 110.6 | F210 V211 R212 | S208-F210 PolarHBondContact O-N 3.37Å; S208-F210 PolarHBondContact OG-N 2.83Å; S208-V211 WeakPolarHBondContact O-CA 3.23Å; S208-V211 PolarHBondContact O-N 3.2Å; S208-V211 PolarHBondContact OG-N 3.36Å; S208-R212 PolarHBondContact O-N 3.49Å | ||
| 209 | I | 78.3 | Confident | 73.7 | Confident | 115 Ų | 115 | 120.4 Ų | 120.4 | 59% | 0.59 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -51.9 | -34 | 178.6 | -64.2 | 171.3 | 0 | 0 | 0 | 111.1 | R212 R213 | I209-R212 PolarHBondContact O-N 2.88Å; I209-R213 HydrophobicContact CG2-CG 4.5Å; I209-R213 WeakPolarHBondContact O-CB 3.47Å; I209-R213 WeakPolarHBondContact O-CG 3.46Å; I209-R213 PolarHBondContact O-N 2.97Å |
| 210 | F | 73.8 | Confident | 75.2 | Confident | 161 Ų | 161 | 119.9 Ų | 119.9 | 71% | 0.706 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.6 | -43.2 | 175.9 | -64 | -80 | 0 | 0 | 0 | 112.7 | S208 R213 A214 | S208-F210 PolarHBondContact O-N 3.37Å; S208-F210 PolarHBondContact OG-N 2.83Å; F210-R213 PolarHBondContact O-N 3.33Å; F210-A214 VanDerWaalsContact O-CB 3.31Å; F210-A214 WeakPolarHBondContact O-CB 3.46Å; F210-A214 PolarHBondContact O-N 2.67Å |
| 211 | V | 78.9 | Confident | 76.6 | Confident | 65 Ų | 65 | 124.3 Ų | 124.3 | 39% | 0.394 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64.9 | -43.7 | 175.7 | 177.8 | 0 | 0 | 0 | 0 | 110.3 | T207 S208 R213 A214 L215 | T207-V211 HydrophobicContact CG2-CB 4.36Å; T207-V211 HydrophobicContact CG2-CG1 3.78Å; S208-V211 WeakPolarHBondContact O-CA 3.23Å; S208-V211 PolarHBondContact O-N 3.2Å; S208-V211 PolarHBondContact OG-N 3.36Å; V211-R213 PolarHBondContact O-N 3.34Å; V211-A214 PolarHBondContact O-N 2.76Å; V211-L215 HydrophobicContact CG1-CD1 3.93Å; V211-L215 HydrophobicContact CG1-CG 4.25Å; V211-L215 WeakPolarHBondContact O-CB 3.31Å; V211-L215 WeakPolarHBondContact O-CG 3.3Å; V211-L215 PolarHBondContact O-N 2.83Å |
| 212 | R | 78.2 | Confident | 78 | Confident | 148 Ų | 148 | 124.4 Ų | 124.4 | 56% | 0.558 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -60 | -45 | 175.7 | -66.4 | -174.4 | -169 | -175.6 | 1.4 | 111.9 | T207 S208 I209 L215 K216 | T207-R212 PolarHBondContact O-NE 3.14Å; T207-R212 VanDerWaalsContact O-NE 3.16Å; T207-R212 WeakPolarHBondContact OG1-CG 3.43Å; T207-R212 PolarHBondContact OG1-NE 2.83Å; S208-R212 PolarHBondContact O-N 3.49Å; I209-R212 PolarHBondContact O-N 2.88Å; R212-L215 PolarHBondContact O-N 2.84Å; R212-K216 WeakPolarHBondContact O-CB 3.38Å; R212-K216 PolarHBondContact O-N 3.49Å |
| 213 | R | 80.6 | Confident | 78.9 | Confident | 155 Ų | 155 | 122.9 Ų | 122.9 | 59% | 0.585 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.4 | -41.8 | 175.2 | -77.2 | -179 | -177 | 178.4 | 1.2 | 112.1 | I209 F210 V211 K216 R217 | I209-R213 HydrophobicContact CG2-CG 4.5Å; I209-R213 WeakPolarHBondContact O-CB 3.47Å; I209-R213 WeakPolarHBondContact O-CG 3.46Å; I209-R213 PolarHBondContact O-N 2.97Å; F210-R213 PolarHBondContact O-N 3.33Å; V211-R213 PolarHBondContact O-N 3.34Å; R213-K216 PolarHBondContact O-N 2.71Å; R213-R217 WeakPolarHBondContact O-CG 3.21Å; R213-R217 PolarHBondContact O-N 2.8Å |
| 214 | A | 81.7 | Confident | 80.5 | Confident | 60 Ų | 60 | 121.8 Ų | 121.8 | 50% | 0.496 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.7 | -44.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | F210 V211 R217 G218 | F210-A214 VanDerWaalsContact O-CB 3.31Å; F210-A214 WeakPolarHBondContact O-CB 3.46Å; F210-A214 PolarHBondContact O-N 2.67Å; V211-A214 PolarHBondContact O-N 2.76Å; A214-R217 PolarHBondContact O-N 2.96Å; A214-G218 PolarHBondContact O-N 3.5Å |
| 215 | L | 84 | Confident | 81.9 | Confident | 98 Ų | 98 | 124.8 Ų | 124.8 | 51% | 0.513 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.3 | -40.9 | 175.3 | -70.9 | 174.3 | 0 | 0 | 0 | 111.7 | V211 R212 G218 R219 | V211-L215 HydrophobicContact CG1-CD1 3.93Å; V211-L215 HydrophobicContact CG1-CG 4.25Å; V211-L215 WeakPolarHBondContact O-CB 3.31Å; V211-L215 WeakPolarHBondContact O-CG 3.3Å; V211-L215 PolarHBondContact O-N 2.83Å; R212-L215 PolarHBondContact O-N 2.84Å; L215-G218 PolarHBondContact O-N 3.23Å; L215-R219 WeakPolarHBondContact O-CG 3.41Å; L215-R219 PolarHBondContact O-N 3.32Å |
| 216 | K | 87.3 | Confident | 83.5 | Confident | 157 Ų | 157 | 123.7 Ų | 123.7 | 68% | 0.683 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -60.2 | -49.6 | 174.8 | -168.7 | 176.9 | -179.3 | -179 | 0 | 111.1 | R212 R213 G218 R219 E220 | R212-K216 WeakPolarHBondContact O-CB 3.38Å; R212-K216 PolarHBondContact O-N 3.49Å; R213-K216 PolarHBondContact O-N 2.71Å; K216-G218 VanDerWaalsContact C-N 3.32Å; K216-G218 PolarHBondContact O-N 3.48Å; K216-R219 PolarHBondContact O-N 2.81Å; K216-E220 WeakPolarHBondContact O-CB 3.48Å; K216-E220 PolarHBondContact O-N 2.96Å |
| 217 | R | 85.1 | Confident | 84.8 | Confident | 178 Ų | 178 | 122 Ų | 122 | 67% | 0.672 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60.8 | -38.5 | 175.6 | -73 | 178.3 | 178.1 | -178.7 | -1.4 | 112.5 | R213 A214 E220 K221 | R213-R217 WeakPolarHBondContact O-CG 3.21Å; R213-R217 PolarHBondContact O-N 2.8Å; A214-R217 PolarHBondContact O-N 2.96Å; R217-E220 PolarHBondContact O-N 3.25Å; R217-K221 WeakPolarHBondContact O-CG 3.5Å; R217-K221 PolarHBondContact O-N 2.92Å |
| 218 | G | 86.8 | Confident | 85.9 | Confident | 40 Ų | 40 | 127.6 Ų | 127.6 | 41% | 0.412 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65 | -45.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | A214 L215 K216 E220 K221 R222 | A214-G218 PolarHBondContact O-N 3.5Å; L215-G218 PolarHBondContact O-N 3.23Å; K216-G218 VanDerWaalsContact C-N 3.32Å; K216-G218 PolarHBondContact O-N 3.48Å; G218-E220 VanDerWaalsContact C-N 3.35Å; G218-E220 PolarHBondContact O-N 3.23Å; G218-K221 PolarHBondContact O-N 2.9Å; G218-R222 PolarHBondContact O-N 2.86Å |
| 219 | R | 89 | Confident | 86.4 | Confident | 202 Ų | 202 | 129.2 Ų | 129.2 | 76% | 0.762 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.9 | -42.5 | 175.5 | -73.5 | 180 | -179 | -173.4 | 0.2 | 111.7 | L215 K216 R222 R223 | L215-R219 WeakPolarHBondContact O-CG 3.41Å; L215-R219 PolarHBondContact O-N 3.32Å; K216-R219 PolarHBondContact O-N 2.81Å; R219-R222 PolarHBondContact O-N 2.95Å; R219-R223 PolarHBondContact O-N 3.03Å |
| 220 | E | 89.8 | Confident | 86.9 | Confident | 112 Ų | 112 | 132.1 Ų | 132.1 | 52% | 0.523 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.5 | -45.1 | 178.5 | -168.1 | 169 | -162.3 | 0 | 0 | 112.3 | K216 R217 G218 R222 R223 L224 | K216-E220 WeakPolarHBondContact O-CB 3.48Å; K216-E220 PolarHBondContact O-N 2.96Å; R217-E220 PolarHBondContact O-N 3.25Å; G218-E220 VanDerWaalsContact C-N 3.35Å; G218-E220 PolarHBondContact O-N 3.23Å; E220-R222 VanDerWaalsContact C-N 3.32Å; E220-R222 PolarHBondContact O-N 2.93Å; E220-R223 PolarHBondContact O-N 2.82Å; E220-L224 HydrophobicContact CG-CD1 4.31Å; E220-L224 PolarHBondContact O-N 2.91Å |
| 221 | K | 91.3 | Very high | 87.7 | Confident | 163 Ų | 163 | 125.9 Ų | 125.9 | 71% | 0.709 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -59.3 | -40.7 | 172.5 | -79.3 | -172.3 | 177.1 | -173.3 | 0 | 112.4 | R217 G218 R225 | R217-K221 WeakPolarHBondContact O-CG 3.5Å; R217-K221 PolarHBondContact O-N 2.92Å; G218-K221 PolarHBondContact O-N 2.9Å; K221-R225 WeakPolarHBondContact O-CB 3.46Å; K221-R225 PolarHBondContact O-N 2.85Å |
| 222 | R | 90.4 | Very high | 88.1 | Confident | 190 Ų | 190 | 131.4 Ų | 131.4 | 72% | 0.717 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.5 | -44.4 | 177 | -173.1 | 177 | -179.2 | 176.6 | -0 | 111.3 | G218 R219 E220 R225 L226 | G218-R222 PolarHBondContact O-N 2.86Å; R219-R222 PolarHBondContact O-N 2.95Å; E220-R222 VanDerWaalsContact C-N 3.32Å; E220-R222 PolarHBondContact O-N 2.93Å; R222-R225 PolarHBondContact O-N 2.77Å; R222-L226 HydrophobicContact CG-CD1 4.31Å; R222-L226 WeakPolarHBondContact O-CG 3.43Å; R222-L226 PolarHBondContact O-N 2.91Å |
| 223 | R | 91.5 | Very high | 88.5 | Confident | 166 Ų | 166 | 129.9 Ų | 129.9 | 63% | 0.626 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -58.7 | -51.2 | 175.9 | 179.8 | -175.4 | 154.3 | -173.6 | -8.4 | 111.4 | R219 E220 R225 L226 E227 | R219-R223 PolarHBondContact O-N 3.03Å; E220-R223 PolarHBondContact O-N 2.82Å; R223-R225 VanDerWaalsContact C-N 3.3Å; R223-R225 PolarHBondContact O-N 3.01Å; R223-L226 PolarHBondContact O-N 2.87Å; R223-L226 VanDerWaalsContact O-N 3.16Å; R223-E227 IonicContact CZ-OE1 2.81Å; R223-E227 IonicContact NE-OE1 3.36Å; R223-E227 PolarHBondContact NE-OE1 2.78Å; R223-E227 IonicContact NH2-OE1 3.56Å; R223-E227 PolarHBondContact NH2-OE1 2.91Å; R223-E227 PolarHBondContact O-N 2.89Å |
| 224 | L | 92 | Very high | 88.6 | Confident | 79 Ų | 79 | 127.9 Ų | 127.9 | 41% | 0.414 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -58.3 | -39.5 | 177.7 | -83.1 | 156.1 | 0 | 0 | 0 | 112.6 | E220 E227 R228 | E220-L224 HydrophobicContact CG-CD1 4.31Å; E220-L224 PolarHBondContact O-N 2.91Å; L224-E227 PolarHBondContact O-N 2.81Å; L224-R228 WeakPolarHBondContact O-CB 3.38Å; L224-R228 WeakPolarHBondContact O-CG 3.37Å; L224-R228 PolarHBondContact O-N 2.91Å |
| 225 | R | 91.6 | Very high | 88.5 | Confident | 181 Ų | 181 | 134.3 Ų | 134.3 | 68% | 0.683 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -64.9 | -42.5 | 177.1 | -171.7 | 177 | 178.9 | 174.3 | 0.2 | 111.8 | K221 R222 R223 R228 Q229 | K221-R225 WeakPolarHBondContact O-CB 3.46Å; K221-R225 PolarHBondContact O-N 2.85Å; R222-R225 PolarHBondContact O-N 2.77Å; R223-R225 VanDerWaalsContact C-N 3.3Å; R223-R225 PolarHBondContact O-N 3.01Å; R225-R228 PolarHBondContact O-N 2.73Å; R225-Q229 PolarHBondContact O-N 3.35Å |
| 226 | L | 92.6 | Very high | 88.3 | Confident | 81 Ų | 81 | 139 Ų | 139 | 42% | 0.424 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67 | -41.8 | 177.2 | -71.1 | 170.9 | 0 | 0 | 0 | 111.8 | R222 R223 Q229 R230 | R222-L226 HydrophobicContact CG-CD1 4.31Å; R222-L226 WeakPolarHBondContact O-CG 3.43Å; R222-L226 PolarHBondContact O-N 2.91Å; R223-L226 PolarHBondContact O-N 2.87Å; R223-L226 VanDerWaalsContact O-N 3.16Å; L226-Q229 PolarHBondContact O-N 2.82Å; L226-R230 WeakPolarHBondContact O-CG 3.37Å; L226-R230 PolarHBondContact O-N 3.3Å |
| 227 | E | 91 | Very high | 87.8 | Confident | 88 Ų | 88 | 138.5 Ų | 138.5 | 41% | 0.411 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -60.4 | -44.5 | 173.9 | -78.8 | 173.7 | -174.2 | 0 | 0 | 111.4 | R223 L224 Q229 R230 G231 | R223-E227 IonicContact CZ-OE1 2.81Å; R223-E227 IonicContact NE-OE1 3.36Å; R223-E227 PolarHBondContact NE-OE1 2.78Å; R223-E227 IonicContact NH2-OE1 3.56Å; R223-E227 PolarHBondContact NH2-OE1 2.91Å; R223-E227 PolarHBondContact O-N 2.89Å; L224-E227 PolarHBondContact O-N 2.81Å; E227-Q229 PolarHBondContact O-N 3.36Å; E227-R230 PolarHBondContact O-N 2.81Å; E227-G231 PolarHBondContact O-N 3.12Å |
| 228 | R | 91.2 | Very high | 87.3 | Confident | 178 Ų | 178 | 134.3 Ų | 134.3 | 67% | 0.672 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.2 | -40.6 | 174.7 | -73.9 | 177.9 | -176.7 | -174.9 | 0.7 | 112.6 | L224 R225 G231 R232 | L224-R228 WeakPolarHBondContact O-CB 3.38Å; L224-R228 WeakPolarHBondContact O-CG 3.37Å; L224-R228 PolarHBondContact O-N 2.91Å; R225-R228 PolarHBondContact O-N 2.73Å; R228-G231 PolarHBondContact O-N 2.88Å; R228-R232 WeakPolarHBondContact O-CG 3.26Å; R228-R232 PolarHBondContact O-N 2.89Å |
| 229 | Q | 89.7 | Confident | 86.5 | Confident | 97 Ų | 97 | 137.6 Ų | 137.6 | 45% | 0.453 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.1 | -44.7 | 175.3 | -84.1 | -177.2 | -28.2 | 0 | 0 | 111.9 | R225 L226 E227 G231 R232 M233 | R225-Q229 PolarHBondContact O-N 3.35Å; L226-Q229 PolarHBondContact O-N 2.82Å; E227-Q229 PolarHBondContact O-N 3.36Å; Q229-G231 PolarHBondContact O-N 2.9Å; Q229-R232 PolarHBondContact O-N 3.36Å; Q229-M233 WeakPolarHBondContact O-CG 3.22Å; Q229-M233 PolarHBondContact O-N 3.12Å |
| 230 | R | 88.9 | Confident | 85.6 | Confident | 176 Ų | 176 | 130.8 Ų | 130.8 | 66% | 0.664 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -60 | -44.9 | 175.1 | -73.6 | 178.8 | 177.1 | -176.1 | -1.8 | 111.4 | L226 E227 R232 M233 L234 | L226-R230 WeakPolarHBondContact O-CG 3.37Å; L226-R230 PolarHBondContact O-N 3.3Å; E227-R230 PolarHBondContact O-N 2.81Å; R230-R232 PolarHBondContact O-N 2.89Å; R230-M233 PolarHBondContact O-N 2.88Å; R230-L234 WeakPolarHBondContact O-CG 3.4Å; R230-L234 PolarHBondContact O-N 3.39Å |
| 231 | G | 89.4 | Confident | 84.6 | Confident | 30 Ų | 30 | 133 Ų | 133 | 31% | 0.309 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -60 | -42.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E227 R228 Q229 L234 R235 | E227-G231 PolarHBondContact O-N 3.12Å; R228-G231 PolarHBondContact O-N 2.88Å; Q229-G231 PolarHBondContact O-N 2.9Å; G231-L234 PolarHBondContact O-N 2.95Å; G231-R235 WeakPolarHBondContact O-CG 3.45Å; G231-R235 PolarHBondContact O-N 2.82Å |
| 232 | R | 88.4 | Confident | 83.2 | Confident | 180 Ų | 180 | 128.2 Ų | 128.2 | 68% | 0.679 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.6 | -42.1 | 174.9 | -73.4 | 177.5 | -178.2 | -172 | -0.9 | 112.4 | R228 Q229 R230 R235 R236 | R228-R232 WeakPolarHBondContact O-CG 3.26Å; R228-R232 PolarHBondContact O-N 2.89Å; Q229-R232 PolarHBondContact O-N 3.36Å; R230-R232 PolarHBondContact O-N 2.89Å; R232-R235 PolarHBondContact O-N 3.02Å; R232-R236 WeakPolarHBondContact O-CG 2.96Å; R232-R236 PolarHBondContact O-N 3.41Å |
| 233 | M | 85.5 | Confident | 81.7 | Confident | 116 Ų | 116 | 125.3 Ų | 125.3 | 57% | 0.571 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.3 | -41.4 | 176.3 | -74.4 | -160.5 | -67.1 | 0 | 0 | 112 | Q229 R230 R236 K237 | Q229-M233 WeakPolarHBondContact O-CG 3.22Å; Q229-M233 PolarHBondContact O-N 3.12Å; R230-M233 PolarHBondContact O-N 2.88Å; M233-R236 PolarHBondContact O-N 3.49Å; M233-K237 PolarHBondContact O-N 3.48Å |
| 234 | L | 83.9 | Confident | 80.2 | Confident | 113 Ų | 113 | 124.6 Ų | 124.6 | 59% | 0.592 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.3 | -46.1 | 175.7 | -75.8 | 165.3 | 0 | 0 | 0 | 111.4 | R230 G231 R236 K237 V238 | R230-L234 WeakPolarHBondContact O-CG 3.4Å; R230-L234 PolarHBondContact O-N 3.39Å; G231-L234 PolarHBondContact O-N 2.95Å; L234-R236 VanDerWaalsContact C-N 3.35Å; L234-R236 PolarHBondContact O-N 2.9Å; L234-K237 PolarHBondContact O-N 3.19Å; L234-V238 WeakPolarHBondContact O-CG2 3.26Å; L234-V238 PolarHBondContact O-N 3.36Å |
| 235 | R | 79.2 | Confident | 78.6 | Confident | 195 Ų | 195 | 125.2 Ų | 125.2 | 74% | 0.736 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -59.8 | -42.3 | 175.6 | -72.8 | -177.8 | -176.7 | -168.3 | 0 | 112.5 | G231 R232 V238 M239 | G231-R235 WeakPolarHBondContact O-CG 3.45Å; G231-R235 PolarHBondContact O-N 2.82Å; R232-R235 PolarHBondContact O-N 3.02Å; R235-V238 PolarHBondContact O-N 3.35Å; R235-M239 VanDerWaalsContact O-CG 3.23Å; R235-M239 WeakPolarHBondContact O-CG 3.49Å; R235-M239 PolarHBondContact O-N 3.42Å |
| 236 | R | 79.2 | Confident | 76.9 | Confident | 198 Ų | 198 | 121.7 Ų | 121.7 | 75% | 0.747 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62.9 | -42.4 | 174.8 | -75.1 | -178.6 | 177.7 | -177.1 | -2.6 | 112.1 | R232 M233 L234 M239 S240 | R232-R236 WeakPolarHBondContact O-CG 2.96Å; R232-R236 PolarHBondContact O-N 3.41Å; M233-R236 PolarHBondContact O-N 3.49Å; L234-R236 VanDerWaalsContact C-N 3.35Å; L234-R236 PolarHBondContact O-N 2.9Å; R236-M239 PolarHBondContact O-N 3.46Å; R236-S240 WeakPolarHBondContact O-CB 3.23Å; R236-S240 PolarHBondContact O-N 3.08Å; R236-S240 PolarHBondContact O-OG 3.47Å |
| 237 | K | 77.4 | Confident | 75.1 | Confident | 146 Ų | 146 | 121.3 Ų | 121.3 | 64% | 0.635 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.1 | -43.5 | 175.4 | -79.2 | -172.7 | 176.9 | -174.2 | 0 | 111.6 | M233 L234 S240 K241 | M233-K237 PolarHBondContact O-N 3.48Å; L234-K237 PolarHBondContact O-N 3.19Å; K237-S240 PolarHBondContact O-N 2.66Å; K237-S240 PolarHBondContact O-OG 3.05Å; K237-K241 PolarHBondContact O-N 3.42Å; K237-K241 VanDerWaalsContact O-N 3.13Å |
| 238 | V | 74.8 | Confident | 73.4 | Confident | 90 Ų | 90 | 127.8 Ų | 127.8 | 55% | 0.545 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63.2 | -49.3 | 177.1 | 174.9 | 0 | 0 | 0 | 0 | 110.9 | L234 R235 S240 K241 V242 | L234-V238 WeakPolarHBondContact O-CG2 3.26Å; L234-V238 PolarHBondContact O-N 3.36Å; R235-V238 PolarHBondContact O-N 3.35Å; V238-S240 VanDerWaalsContact C-N 3.29Å; V238-S240 PolarHBondContact O-N 3.24Å; V238-K241 WeakPolarHBondContact O-CB 3.09Å; V238-K241 PolarHBondContact O-N 3.17Å; V238-V242 WeakPolarHBondContact O-CG2 3.45Å; V238-V242 PolarHBondContact O-N 3.07Å; V238-V242 VanDerWaalsContact O-N 3.07Å |
| 239 | M | 69.9 | Low | 71.6 | Confident | 108 Ų | 108 | 128.4 Ų | 128.4 | 53% | 0.532 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -60.9 | -37.5 | 177.9 | -65.5 | -96.5 | 79.9 | 0 | 0 | 112.3 | R235 R236 K241 V242 H243 | R235-M239 VanDerWaalsContact O-CG 3.23Å; R235-M239 WeakPolarHBondContact O-CG 3.49Å; R235-M239 PolarHBondContact O-N 3.42Å; R236-M239 PolarHBondContact O-N 3.46Å; M239-K241 VanDerWaalsContact C-N 3.28Å; M239-K241 PolarHBondContact O-N 3.12Å; M239-V242 PolarHBondContact O-N 2.87Å; M239-H243 PolarHBondContact O-CD2 3.07Å; M239-H243 PolarHBondContact O-N 3.03Å |
| 240 | S | 70 | Confident | 70 | Confident | 59 Ų | 59 | 126.6 Ų | 126.6 | 41% | 0.413 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.4 | -29 | 175.7 | 75.2 | 0 | 0 | 0 | 0 | 113.3 | R236 K237 V238 K244 | R236-S240 WeakPolarHBondContact O-CB 3.23Å; R236-S240 PolarHBondContact O-N 3.08Å; R236-S240 PolarHBondContact O-OG 3.47Å; K237-S240 PolarHBondContact O-N 2.66Å; K237-S240 PolarHBondContact O-OG 3.05Å; V238-S240 VanDerWaalsContact C-N 3.29Å; V238-S240 PolarHBondContact O-N 3.24Å; S240-K244 WeakPolarHBondContact O-CG 3.26Å; S240-K244 PolarHBondContact O-N 3.11Å |
| 241 | K | 68 | Low | 68.4 | Low | 158 Ų | 158 | 129.3 Ų | 129.3 | 69% | 0.687 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -74.3 | -40 | 173.9 | -74.7 | -171.6 | 176.4 | -170.7 | 0 | 111.3 | K237 V238 M239 K244 T245 | K237-K241 PolarHBondContact O-N 3.42Å; K237-K241 VanDerWaalsContact O-N 3.13Å; V238-K241 WeakPolarHBondContact O-CB 3.09Å; V238-K241 PolarHBondContact O-N 3.17Å; M239-K241 VanDerWaalsContact C-N 3.28Å; M239-K241 PolarHBondContact O-N 3.12Å; K241-K244 PolarHBondContact O-N 3.18Å; K241-T245 PolarHBondContact O-N 2.98Å; K241-T245 PolarHBondContact O-OG1 2.94Å |
| 242 | V | 62.7 | Low | 66.9 | Low | 63 Ų | 63 | 137.9 Ų | 137.9 | 38% | 0.382 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -62.8 | -43.8 | 176.9 | 178.6 | 0 | 0 | 0 | 0 | 111.5 | V238 M239 K244 T245 D246 | V238-V242 WeakPolarHBondContact O-CG2 3.45Å; V238-V242 PolarHBondContact O-N 3.07Å; V238-V242 VanDerWaalsContact O-N 3.07Å; M239-V242 PolarHBondContact O-N 2.87Å; V242-K244 VanDerWaalsContact C-N 3.32Å; V242-K244 PolarHBondContact O-N 3.01Å; V242-T245 PolarHBondContact O-N 3.28Å; V242-T245 PolarHBondContact O-OG1 3.48Å; V242-D246 PolarHBondContact O-N 3.03Å |
| 243 | H | 59.6 | Low | 65.5 | Low | 130 Ų | 130 | 134 Ų | 134 | 60% | 0.602 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -69 | -26.7 | 176.6 | -78.2 | -59.6 | 0 | 0 | 0 | 114.2 | M239 T245 S247 | M239-H243 PolarHBondContact O-CD2 3.07Å; M239-H243 PolarHBondContact O-N 3.03Å; H243-T245 VanDerWaalsContact C-N 3.34Å; H243-S247 WeakPolarHBondContact O-CB 3.26Å; H243-S247 PolarHBondContact O-N 3.27Å; H243-S247 VanDerWaalsContact O-N 3.12Å; H243-S247 PolarHBondContact O-OG 3.12Å |
| 244 | K | 59.6 | Low | 64.1 | Low | 151 Ų | 151 | 138.4 Ų | 138.4 | 66% | 0.657 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -72.5 | -27.4 | 173.4 | -79.8 | -176.7 | 178.1 | -173.4 | 0 | 112.7 | S240 K241 V242 S247 | S240-K244 WeakPolarHBondContact O-CG 3.26Å; S240-K244 PolarHBondContact O-N 3.11Å; K241-K244 PolarHBondContact O-N 3.18Å; V242-K244 VanDerWaalsContact C-N 3.32Å; V242-K244 PolarHBondContact O-N 3.01Å; K244-S247 PolarHBondContact O-OG 3.49Å |
| 245 | T | 58 | Low | 62.6 | Low | 91 Ų | 91 | 145.4 Ų | 145.4 | 56% | 0.558 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -78.1 | -34.6 | 175.3 | 41.6 | 0 | 0 | 0 | 0 | 112.4 | K241 V242 H243 | K241-T245 PolarHBondContact O-N 2.98Å; K241-T245 PolarHBondContact O-OG1 2.94Å; V242-T245 PolarHBondContact O-N 3.28Å; V242-T245 PolarHBondContact O-OG1 3.48Å; H243-T245 VanDerWaalsContact C-N 3.34Å |
| 246 | D | 55.5 | Low | 61.2 | Low | 107 Ų | 107 | 139.6 Ų | 139.6 | 57% | 0.572 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -75.2 | -39.2 | 176.5 | -79.6 | -28.7 | 0 | 0 | 0 | 113.3 | V242 R248 K249 | V242-D246 PolarHBondContact O-N 3.03Å; D246-R248 PolarHBondContact O-N 3.14Å; D246-K249 PolarHBondContact O-N 3.4Å; D246-K249 VanDerWaalsContact O-N 3.14Å |
| 247 | S | 55 | Low | 59.3 | Low | 73 Ų | 73 | 142.8 Ų | 142.8 | 51% | 0.51 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -67.5 | -18.6 | 179.5 | 51 | 0 | 0 | 0 | 0 | 114.2 | H243 K244 | H243-S247 WeakPolarHBondContact O-CB 3.26Å; H243-S247 PolarHBondContact O-N 3.27Å; H243-S247 VanDerWaalsContact O-N 3.12Å; H243-S247 PolarHBondContact O-OG 3.12Å; K244-S247 PolarHBondContact O-OG 3.49Å |
| 248 | R | 55 | Low | 58.4 | Low | 225 Ų | 225 | 142.7 Ų | 142.7 | 85% | 0.849 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -17.4 | 174.2 | -88.4 | -174.8 | 173.5 | -176 | -2.2 | 114.1 | D246 | D246-R248 PolarHBondContact O-N 3.14Š|
| 249 | K | 54.7 | Low | 57.5 | Low | 190 Ų | 190 | 145.4 Ų | 145.4 | 83% | 0.826 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -18.4 | 175.2 | -75.9 | -172.5 | 175.5 | -177.2 | 0 | 113.8 | D246 | D246-K249 PolarHBondContact O-N 3.4Å; D246-K249 VanDerWaalsContact O-N 3.14Å |
| 250 | G | 55.3 | Low | 56.9 | Low | 59 Ų | 59 | 147.5 Ų | 147.5 | 61% | 0.608 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -92.2 | -1.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 251 | R | 56.3 | Low | 56.1 | Low | 233 Ų | 233 | 152.7 Ų | 152.7 | 88% | 0.879 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -104.6 | 19.9 | -173.3 | -86.4 | -168.8 | 175.5 | -166.7 | -0.9 | 115.9 | ||
| 252 | K | 57.1 | Low | 55.3 | Low | 210 Ų | 210 | 152.4 Ų | 152.4 | 91% | 0.913 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -107.1 | 8.1 | 178.3 | -84.1 | -166 | 175.8 | -172.9 | 0 | 116.1 | ||
| 253 | S | 58.3 | Low | 54.8 | Low | 99 Ų | 99 | 158.3 Ų | 158.3 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -121.7 | 142 | 169.3 | 75.2 | 0 | 0 | 0 | 0 | 110.2 | ||
| 254 | K | 57.7 | Low | 54.5 | Low | 208 Ų | 208 | 160.4 Ų | 160.4 | 90% | 0.904 | 78% | 0.781 | S | S | * | * | trans | 96.7 | 59.6 | -171.3 | -56.2 | -173.3 | 176.3 | -173.2 | 0 | 116.2 | ||||
| 255 | R | 50.7 | Low | 54.1 | Low | 260 Ų | 260 | 161.1 Ų | 161.1 | 98% | 0.981 | 79% | 0.791 | S | S | * | * | trans | -141.3 | 105.2 | 139.4 | -91.6 | -171.5 | 175.5 | -176.4 | -2.9 | 106 | ||||
| 256 | G | 49.5 | Very low | 53.8 | Low | 73 Ų | 73 | 166.9 Ų | 166.9 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | trans | 168.6 | 60.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 257 | H | 40.6 | Very low | 53.6 | Low | 266 Ų | 266 | 172.4 Ų | 172.4 | 100% | 1.231 | 83% | 0.832 | S | S | * | * | trans | 172.5 | 0 | 142.3 | -105.9 | -64.8 | 0 | 0 | 0 | 109 |
Retrieved 257 of 257 residues in 372.7 ms
(Link to these results)