| 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 | 35.5 | Very low | 35.7 | Very low | 246 Ų | 246 | 155 Ų | 155 | 100% | 1.212 | 83% | 0.827 | S | S | * | * | 0 | 90.3 | 0 | -150.1 | 176.1 | -144.2 | 0 | 0 | 106.9 | |||||
| 2 | Y | 37.7 | Very low | 36.1 | Very low | 224 Ų | 224 | 149.4 Ų | 149.4 | 88% | 0.878 | 81% | 0.81 | S | S | * | * | trans | -107.2 | 132.8 | 169 | -83.5 | -84.5 | 0 | 0 | 0 | 105.9 | A4 | Y2-A4 PolarHBondContact O-N 3.08Š| ||
| 3 | P | 36.4 | Very low | 36.4 | Very low | 108 Ų | 108 | 145 Ų | 145 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | -65.7 | 133.5 | -179.9 | 28.5 | -31.2 | 0 | 0 | 0 | 108.2 | I5 | P3-I5 VanDerWaalsContact C-N 3.28Å; P3-I5 PolarHBondContact O-N 3.02Å | ||
| 4 | A | 35.9 | Very low | 37 | Very low | 106 Ų | 106 | 142.2 Ų | 142.2 | 88% | 0.876 | 77% | 0.774 | S | S | * | * | trans | -65.2 | 95.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | Y2 A6 | Y2-A4 PolarHBondContact O-N 3.08Å; A4-A6 PolarHBondContact O-N 3.16Å | ||
| 5 | I | 35.8 | Very low | 37.6 | Very low | 150 Ų | 150 | 138.5 Ų | 138.5 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | trans | -62.2 | 108.1 | 168.4 | -66.4 | 168.3 | 0 | 0 | 0 | 105.5 | P3 A7 | P3-I5 VanDerWaalsContact C-N 3.28Å; P3-I5 PolarHBondContact O-N 3.02Å; I5-A7 PolarHBondContact O-N 3.07Å; I5-A7 VanDerWaalsContact O-N 3.14Å | ||
| 6 | A | 36.1 | Very low | 38.2 | Very low | 86 Ų | 86 | 132.8 Ų | 132.8 | 71% | 0.711 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 122 | 165.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | A4 | A4-A6 PolarHBondContact O-N 3.16Š|
| 7 | A | 34.1 | Very low | 38.8 | Very low | 87 Ų | 87 | 131 Ų | 131 | 72% | 0.719 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 128.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | I5 E9 | I5-A7 PolarHBondContact O-N 3.07Å; I5-A7 VanDerWaalsContact O-N 3.14Å; A7-E9 PolarHBondContact O-N 3.22Å |
| 8 | P | 33.5 | Very low | 39.1 | Very low | 105 Ų | 105 | 132.7 Ų | 132.7 | 68% | 0.682 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 133.9 | -179.8 | 23.7 | -31.2 | 0 | 0 | 0 | 107.2 | R10 | P8-R10 VanDerWaalsContact C-N 3.34Å; P8-R10 PolarHBondContact O-N 3.39Å |
| 9 | E | 36.1 | Very low | 39.2 | Very low | 178 Ų | 178 | 127.2 Ų | 127.2 | 83% | 0.832 | 70% | 0.696 | S | S | * | * | trans | -47.2 | 108.4 | 165.2 | -72.3 | -174.2 | 161.5 | 0 | 0 | 106.1 | A7 H11 | A7-E9 PolarHBondContact O-N 3.22Å; E9-H11 VanDerWaalsContact C-N 3.3Å; E9-H11 PolarHBondContact O-N 2.78Å | ||
| 10 | R | 37.7 | Very low | 39.3 | Very low | 235 Ų | 235 | 129.8 Ų | 129.8 | 89% | 0.887 | 70% | 0.703 | S | S | * | * | trans | -62.7 | 106.8 | 173.3 | -74.3 | -173.5 | 179.3 | -161.2 | -0.1 | 103.8 | P8 S12 | P8-R10 VanDerWaalsContact C-N 3.34Å; P8-R10 PolarHBondContact O-N 3.39Å; R10-S12 PolarHBondContact O-N 3.16Å | ||
| 11 | H | 33.6 | Very low | 39.3 | Very low | 180 Ų | 180 | 127.1 Ų | 127.1 | 83% | 0.833 | 69% | 0.693 | S | S | * | * | trans | -51.7 | 93.1 | 157.1 | -85.6 | -3.8 | 0 | 0 | 0 | 106 | E9 V13 | E9-H11 VanDerWaalsContact C-N 3.3Å; E9-H11 PolarHBondContact O-N 2.78Å; H11-V13 PolarHBondContact O-N 3.18Å; H11-V13 VanDerWaalsContact O-N 3.1Å | ||
| 12 | S | 41.3 | Very low | 39.4 | Very low | 88 Ų | 88 | 123.4 Ų | 123.4 | 62% | 0.615 | 67% | 0.672 | S | S | * | * | trans | -61.9 | 111.6 | 160.1 | 49.1 | 0 | 0 | 0 | 0 | 103.9 | R10 D14 | R10-S12 PolarHBondContact O-N 3.16Å; S12-D14 PolarHBondContact O-N 3.05Å | ||
| 13 | V | 40.1 | Very low | 40.1 | Very low | 92 Ų | 92 | 115.3 Ų | 115.3 | 56% | 0.558 | 66% | 0.656 | S | S | * | * | trans | -49 | 119.8 | 164 | 177 | 0 | 0 | 0 | 0 | 105.4 | H11 Y15 | H11-V13 PolarHBondContact O-N 3.18Å; H11-V13 VanDerWaalsContact O-N 3.1Å; V13-Y15 HydrophobicContact CB-CD2 4.06Å; V13-Y15 HydrophobicContact CB-CE2 3.67Å; V13-Y15 HydrophobicContact CG1-CD1 4.3Å; V13-Y15 HydrophobicContact CG1-CD2 4.17Å; V13-Y15 HydrophobicContact CG1-CE1 4.04Å; V13-Y15 HydrophobicContact CG1-CE2 3.93Å; V13-Y15 HydrophobicContact CG1-CG 4.36Å; V13-Y15 WeakPolarHBondContact O-CD2 3.49Å; V13-Y15 PolarHBondContact O-N 2.88Å | ||
| 14 | D | 43.7 | Very low | 40.8 | Very low | 106 Ų | 106 | 116.5 Ų | 116.5 | 57% | 0.567 | 66% | 0.664 | S | S | * | * | trans | -74 | 73.9 | -174.2 | -148.6 | 0 | 0 | 0 | 0 | 107.6 | S12 V16 S17 | S12-D14 PolarHBondContact O-N 3.05Å; D14-V16 PolarHBondContact O-N 2.93Å; D14-S17 WeakPolarHBondContact O-CB 3.27Å; D14-S17 PolarHBondContact O-N 2.9Å; D14-S17 PolarHBondContact O-OG 2.95Å | ||
| 15 | Y | 46.5 | Very low | 41.8 | Very low | 87 Ų | 87 | 113.9 Ų | 113.9 | 34% | 0.341 | 64% | 0.639 | S | S | . | * | G | 310 helix | trans | -61.7 | -13.6 | -179.4 | -73.3 | -76.2 | 0 | 0 | 0 | 111.8 | V13 S17 Q18 N101 | V13-Y15 HydrophobicContact CB-CD2 4.06Å; V13-Y15 HydrophobicContact CB-CE2 3.67Å; V13-Y15 HydrophobicContact CG1-CD1 4.3Å; V13-Y15 HydrophobicContact CG1-CD2 4.17Å; V13-Y15 HydrophobicContact CG1-CE1 4.04Å; V13-Y15 HydrophobicContact CG1-CE2 3.93Å; V13-Y15 HydrophobicContact CG1-CG 4.36Å; V13-Y15 WeakPolarHBondContact O-CD2 3.49Å; V13-Y15 PolarHBondContact O-N 2.88Å; Y15-S17 PolarHBondContact O-N 2.73Å; Y15-Q18 PolarHBondContact O-N 3.13Å; Y15-N101 HydrophobicContact CE2-CB 4.29Å |
| 16 | V | 46.6 | Very low | 43.3 | Very low | 47 Ų | 47 | 107.9 Ų | 107.9 | 29% | 0.285 | 61% | 0.609 | S | S | . | * | G | 310 helix | trans | -61.9 | -24.7 | 170.5 | -173.4 | 0 | 0 | 0 | 0 | 111.4 | D14 Q18 I99 | D14-V16 PolarHBondContact O-N 2.93Å; V16-Q18 PolarHBondContact O-N 2.85Å; V16-I99 HydrophobicContact CG2-CD1 3.83Å; V16-I99 HydrophobicContact CG2-CG2 4.48Å |
| 17 | S | 49.2 | Very low | 45.2 | Very low | 102 Ų | 102 | 109.8 Ų | 109.8 | 71% | 0.713 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -77.4 | 3.4 | 177.1 | 79.4 | 0 | 0 | 0 | 0 | 114.5 | D14 Y15 | D14-S17 WeakPolarHBondContact O-CB 3.27Å; D14-S17 PolarHBondContact O-N 2.9Å; D14-S17 PolarHBondContact O-OG 2.95Å; Y15-S17 PolarHBondContact O-N 2.73Å |
| 18 | Q | 44.5 | Very low | 47.6 | Very low | 161 Ų | 161 | 110.3 Ų | 110.3 | 75% | 0.752 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -106.7 | 8.1 | 175.8 | -72.2 | -168.7 | -10.9 | 0 | 0 | 114.3 | Y15 V16 | Y15-Q18 PolarHBondContact O-N 3.13Å; V16-Q18 PolarHBondContact O-N 2.85Å |
| 19 | G | 41.1 | Very low | 50 | Low | 28 Ų | 28 | 106.6 Ų | 106.6 | 29% | 0.289 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -137.5 | 123.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | P21 | G19-P21 VanDerWaalsContact O-CD 3.27Å; G19-P21 WeakPolarHBondContact O-CD 3.25Å |
| 20 | Q | 39.9 | Very low | 52.6 | Low | 179 Ų | 179 | 99.8 Ų | 99.8 | 84% | 0.836 | 54% | 0.543 | S | S | * | . | trans | -59.4 | 120 | 173.4 | -80.9 | -172.3 | -43.3 | 0 | 0 | 108.7 | E22 | Q20-E22 PolarHBondContact O-N 2.59Å; Q20-E22 VanDerWaalsContact O-N 3.16Å | ||
| 21 | P | 39.7 | Very low | 55.2 | Low | 75 Ų | 75 | 92.6 Ų | 92.6 | 49% | 0.487 | 53% | 0.534 | S | S | . | . | trans | -74.2 | 107.6 | 171.5 | 29 | -28.7 | 0 | 0 | 0 | 107.8 | G19 | G19-P21 VanDerWaalsContact O-CD 3.27Å; G19-P21 WeakPolarHBondContact O-CD 3.25Å | ||
| 22 | E | 38 | Very low | 58.1 | Low | 168 Ų | 168 | 84.2 Ų | 84.2 | 79% | 0.785 | 50% | 0.496 | S | S | * | . | trans | -80.9 | 113.6 | 163 | -68 | -149 | 159.2 | 0 | 0 | 108.7 | Q20 | Q20-E22 PolarHBondContact O-N 2.59Å; Q20-E22 VanDerWaalsContact O-N 3.16Å | ||
| 23 | G | 51.7 | Low | 60.6 | Low | 53 Ų | 53 | 84.1 Ų | 84.1 | 55% | 0.546 | 49% | 0.491 | S | S | . | . | S | Bend | trans | 107.4 | 172.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S25 | G23-S25 PolarHBondContact O-N 3.49Š|
| 24 | P | 51.5 | Low | 63.2 | Low | 133 Ų | 133 | 83.2 Ų | 83.2 | 86% | 0.864 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -55 | 108.4 | 179.9 | 24.7 | -32.6 | 0 | 0 | 0 | 108.1 | I26 | P24-I26 PolarHBondContact O-N 3.34Š|
| 25 | S | 57.4 | Low | 65.5 | Low | 51 Ų | 51 | 80 Ų | 80 | 36% | 0.357 | 48% | 0.48 | S | S | . | . | trans | -62.6 | 114.8 | -166.9 | 53 | 0 | 0 | 0 | 0 | 109.2 | G23 Q27 | G23-S25 PolarHBondContact O-N 3.49Å; S25-Q27 PolarHBondContact O-N 2.84Å | ||
| 26 | I | 66.1 | Low | 67.6 | Low | 24 Ų | 24 | 79.3 Ų | 79.3 | 12% | 0.123 | 48% | 0.479 | C | S | . | . | trans | -68 | 102.4 | 172.9 | -75.3 | 163.7 | 0 | 0 | 0 | 107.2 | P24 V32 I37 V38 V97 | P24-I26 PolarHBondContact O-N 3.34Å; I26-V32 HydrophobicContact CD1-CG1 4.24Å; I26-I37 WeakPolarHBondContact CD1-O 3.45Å; I26-V38 HydrophobicContact CB-CG1 4.03Å; I26-V38 HydrophobicContact CD1-CB 4.31Å; I26-V38 HydrophobicContact CD1-CG1 4.11Å; I26-V38 HydrophobicContact CG2-CG1 3.53Å; I26-V97 HydrophobicContact CG2-CB 3.97Å; I26-V97 HydrophobicContact CG2-CG1 4.09Å; I26-V97 HydrophobicContact CG2-CG2 3.83Å | ||
| 27 | Q | 76.3 | Confident | 69.6 | Low | 126 Ų | 126 | 81 Ų | 81 | 59% | 0.589 | 49% | 0.486 | S | S | * | . | trans | -85.1 | 164.8 | 177.9 | -67.4 | 178.1 | 9.8 | 0 | 0 | 110.8 | S25 G29 S30 | S25-Q27 PolarHBondContact O-N 2.84Å; Q27-G29 PolarHBondContact O-N 2.85Å; Q27-G29 VanDerWaalsContact O-N 3.13Å; Q27-S30 PolarHBondContact N-OG 2.89Å; Q27-S30 WeakPolarHBondContact O-CB 3.3Å; Q27-S30 PolarHBondContact O-N 2.92Å; Q27-S30 PolarHBondContact O-OG 2.79Å | ||
| 28 | Q | 84.3 | Confident | 71.3 | Confident | 99 Ų | 99 | 76.7 Ų | 76.7 | 46% | 0.463 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.6 | 119.7 | 169.4 | -179.4 | 70.3 | -6.8 | 0 | 0 | 110.6 | ||
| 29 | G | 85.1 | Confident | 73.2 | Confident | 27 Ų | 27 | 70.2 Ų | 70.2 | 28% | 0.278 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.7 | -0.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q27 V97 | Q27-G29 PolarHBondContact O-N 2.85Å; Q27-G29 VanDerWaalsContact O-N 3.13Å; G29-V97 WeakPolarHBondContact CA-O 3.36Å; G29-V97 PolarHBondContact N-O 3.26Å |
| 30 | S | 90.4 | Very high | 75 | Confident | 34 Ų | 34 | 71.4 Ų | 71.4 | 24% | 0.238 | 43% | 0.429 | C | S | . | . | trans | -59.4 | 137.7 | 175.1 | -54.5 | 0 | 0 | 0 | 0 | 110.9 | Q27 R96 V97 | Q27-S30 PolarHBondContact N-OG 2.89Å; Q27-S30 WeakPolarHBondContact O-CB 3.3Å; Q27-S30 PolarHBondContact O-N 2.92Å; Q27-S30 PolarHBondContact O-OG 2.79Å; S30-R96 CarbonylContact O-C 3.54Å; S30-R96 WeakPolarHBondContact O-CA 2.84Å; S30-V97 PolarHBondContact O-N 3.07Å | ||
| 31 | A | 92.8 | Very high | 76.4 | Confident | 85 Ų | 85 | 66.5 Ų | 66.5 | 70% | 0.702 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 133.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | G95 | A31-G95 CarbonylContact C-O 3.58Å; A31-G95 WeakPolarHBondContact CA-O 3.35Å |
| 32 | V | 93 | Very high | 78 | Confident | 3 Ų | 3 | 64.3 Ų | 64.3 | 2% | 0.018 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 156.4 | -178 | -68.8 | 0 | 0 | 0 | 0 | 111.2 | I26 E36 T91 T94 G95 V97 V106 | I26-V32 HydrophobicContact CD1-CG1 4.24Å; V32-E36 VanDerWaalsContact CA-OE2 3.27Å; V32-E36 WeakPolarHBondContact CA-OE2 3.3Å; V32-E36 WeakPolarHBondContact CB-OE2 3.3Å; V32-T91 HydrophobicContact CB-CG2 3.87Å; V32-T91 HydrophobicContact CG1-CG2 4.29Å; V32-T91 HydrophobicContact CG2-CG2 3.73Å; V32-T94 VanDerWaalsContact O-CA 3.3Å; V32-T94 WeakPolarHBondContact O-CA 3.27Å; V32-G95 WeakPolarHBondContact CG2-O 3.36Å; V32-G95 PolarHBondContact N-O 2.87Å; V32-G95 PolarHBondContact O-N 2.87Å; V32-G95 VanDerWaalsContact O-N 3.13Å; V32-V97 HydrophobicContact CB-CG2 4.18Å; V32-V97 HydrophobicContact CG1-CG2 3.46Å; V32-V97 VanDerWaalsContact CG1-CG2 3.46Å; V32-V97 HydrophobicContact CG2-CG2 3.62Å; V32-V106 HydrophobicContact CG2-CG1 3.94Å; V32-V106 HydrophobicContact CG2-CG2 4Å |
| 33 | V | 94.6 | Very high | 79.6 | Confident | 87 Ų | 87 | 59.4 Ų | 59.4 | 53% | 0.527 | 39% | 0.388 | S | S | . | . | trans | -117.6 | 156.5 | 174.1 | -64 | 0 | 0 | 0 | 0 | 110.7 | G35 E36 T91 T94 | V33-G35 PolarHBondContact O-N 3.01Å; V33-E36 HydrophobicContact CG2-CB 4.48Å; V33-E36 PolarHBondContact N-OE2 3.26Å; V33-E36 VanDerWaalsContact O-CB 3.25Å; V33-E36 WeakPolarHBondContact O-CB 3.27Å; V33-E36 PolarHBondContact O-N 3.39Å; V33-T91 PolarHBondContact O-OG1 3.37Å; V33-T94 HydrophobicContact CG1-CG2 4.44Å | ||
| 34 | P | 94.8 | Very high | 81.2 | Confident | 72 Ų | 72 | 59.9 Ų | 59.9 | 47% | 0.468 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 137.4 | 178.9 | -25.4 | 33.6 | 0 | 0 | 0 | 113.2 | T94 | P34-T94 VanDerWaalsContact CD-OG1 3.3Å; P34-T94 WeakPolarHBondContact CD-OG1 3.41Å |
| 35 | G | 91.3 | Very high | 82.8 | Confident | 40 Ų | 40 | 54.4 Ų | 54.4 | 41% | 0.412 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.8 | -17.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | V33 H90 T91 | V33-G35 PolarHBondContact O-N 3.01Å; G35-H90 PolarHBondContact O-ND1 3.43Å; G35-T91 PolarHBondContact N-O 3.27Å; G35-T91 PolarHBondContact N-OG1 2.77Å |
| 36 | E | 91.1 | Very high | 84.3 | Confident | 72 Ų | 72 | 56.7 Ų | 56.7 | 34% | 0.336 | 35% | 0.353 | S | S | . | . | trans | -65.1 | 140.6 | 179.9 | -168.4 | 173.2 | 179.2 | 0 | 0 | 111.7 | V32 V33 H90 T91 | V32-E36 VanDerWaalsContact CA-OE2 3.27Å; V32-E36 WeakPolarHBondContact CA-OE2 3.3Å; V32-E36 WeakPolarHBondContact CB-OE2 3.3Å; V33-E36 HydrophobicContact CG2-CB 4.48Å; V33-E36 PolarHBondContact N-OE2 3.26Å; V33-E36 VanDerWaalsContact O-CB 3.25Å; V33-E36 WeakPolarHBondContact O-CB 3.27Å; V33-E36 PolarHBondContact O-N 3.39Å; E36-H90 CarbonylContact O-C 3.47Å; E36-H90 VanDerWaalsContact O-CA 3.26Å; E36-H90 WeakPolarHBondContact O-CA 3.47Å; E36-T91 PolarHBondContact N-OG1 2.76Å; E36-T91 PolarHBondContact O-N 3.11Å; E36-T91 PolarHBondContact O-OG1 2.94Å | ||
| 37 | I | 89 | Confident | 85.5 | Confident | 81 Ų | 81 | 58.1 Ų | 58.1 | 42% | 0.415 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 119.8 | 177.4 | -62.7 | 168.8 | 0 | 0 | 0 | 108.4 | I26 N88 H90 | I26-I37 WeakPolarHBondContact CD1-O 3.45Å; I37-N88 HydrophobicContact CG2-CB 4.17Å; I37-H90 WeakPolarHBondContact CG1-CE1 3.36Å |
| 38 | V | 85.1 | Confident | 86.3 | Confident | 12 Ų | 12 | 53 Ų | 53 | 7% | 0.073 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -43 | 178.8 | -165.5 | 0 | 0 | 0 | 0 | 111.8 | I26 I89 T91 V97 V104 | I26-V38 HydrophobicContact CB-CG1 4.03Å; I26-V38 HydrophobicContact CD1-CB 4.31Å; I26-V38 HydrophobicContact CD1-CG1 4.11Å; I26-V38 HydrophobicContact CG2-CG1 3.53Å; V38-I89 PolarHBondContact N-O 3.42Å; V38-T91 HydrophobicContact CG2-CG2 3.16Å; V38-V97 HydrophobicContact CG1-CG1 3.96Å; V38-V97 HydrophobicContact CG1-CG2 4.1Å; V38-V97 HydrophobicContact CG2-CG2 4.45Å; V38-V104 HydrophobicContact CG1-CG1 4.46Å |
| 39 | F | 83.7 | Confident | 86.7 | Confident | 26 Ų | 26 | 54.5 Ų | 54.5 | 11% | 0.114 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 127.9 | -177.7 | -68 | -76.7 | 0 | 0 | 0 | 109.7 | L45 I89 I99 V104 | F39-L45 HydrophobicContact CB-CD1 4.03Å; F39-L45 HydrophobicContact CD1-CD1 3.85Å; F39-L45 HydrophobicContact CD2-CD1 3.77Å; F39-L45 HydrophobicContact CE1-CD1 4.27Å; F39-L45 HydrophobicContact CE2-CD1 4.2Å; F39-L45 HydrophobicContact CG-CD1 3.59Å; F39-L45 HydrophobicContact CZ-CD1 4.45Å; F39-I89 HydrophobicContact CB-CB 4.35Å; F39-I89 HydrophobicContact CB-CD1 4.22Å; F39-I89 HydrophobicContact CB-CG1 4.45Å; F39-I89 HydrophobicContact CD2-CD1 4.49Å; F39-I89 PolarHBondContact O-N 3.09Å; F39-I99 HydrophobicContact CE2-CD1 4.14Å; F39-I99 HydrophobicContact CZ-CD1 3.65Å; F39-I99 HydrophobicContact CZ-CG1 4.48Å; F39-V104 HydrophobicContact CD2-CG1 4.17Å; F39-V104 HydrophobicContact CD2-CG2 4.09Å; F39-V104 HydrophobicContact CE2-CG1 3.85Å; F39-V104 HydrophobicContact CE2-CG2 3.82Å |
| 40 | S | 80.1 | Confident | 87.1 | Confident | 53 Ų | 53 | 53.7 Ų | 53.7 | 37% | 0.371 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -87 | 127.9 | 173.7 | 47.8 | 0 | 0 | 0 | 0 | 110.7 | V42 N88 | S40-V42 WeakPolarHBondContact O-CG2 3.2Å; S40-V42 PolarHBondContact O-N 3.13Å; S40-N88 VanDerWaalsContact CA-OD1 3.3Å; S40-N88 WeakPolarHBondContact CA-OD1 3.47Å |
| 41 | S | 69.4 | Low | 87.2 | Confident | 75 Ų | 75 | 52.8 Ų | 52.8 | 52% | 0.524 | 34% | 0.335 | S | S | . | . | S | Bend | trans | 43 | 31.3 | 168.8 | -61.8 | 0 | 0 | 0 | 0 | 119.4 | A43 A86 N88 | S41-A43 PolarHBondContact O-N 2.91Å; S41-A86 VanDerWaalsContact CA-O 3.26Å; S41-A86 WeakPolarHBondContact CA-O 3.48Å; S41-A86 WeakPolarHBondContact CB-O 3.38Å; S41-A86 PolarHBondContact OG-O 2.98Å; S41-N88 PolarHBondContact N-OD1 3.23Å; S41-N88 VanDerWaalsContact N-OD1 3.16Å |
| 42 | V | 72.4 | Confident | 87.2 | Confident | 30 Ų | 30 | 53.7 Ų | 53.7 | 18% | 0.182 | 32% | 0.321 | C | S | . | . | trans | -89 | 102.5 | 172.5 | -170.1 | 0 | 0 | 0 | 0 | 110.1 | S40 S44 L45 R53 | S40-V42 WeakPolarHBondContact O-CG2 3.2Å; S40-V42 PolarHBondContact O-N 3.13Å; V42-S44 VanDerWaalsContact C-N 3.26Å; V42-S44 WeakPolarHBondContact CG1-OG 3.42Å; V42-S44 PolarHBondContact O-N 3.32Å; V42-L45 HydrophobicContact CB-CD1 3.91Å; V42-L45 HydrophobicContact CB-CG 4.15Å; V42-L45 HydrophobicContact CG1-CB 4.5Å; V42-L45 HydrophobicContact CG1-CD1 3.95Å; V42-L45 HydrophobicContact CG1-CG 3.74Å; V42-L45 HydrophobicContact CG2-CD1 4.4Å; V42-R53 PolarHBondContact O-NH1 2.83Å; V42-R53 PolarHBondContact O-NH2 3.24Å | ||
| 43 | A | 72.4 | Confident | 87.1 | Confident | 65 Ų | 65 | 55.4 Ų | 55.4 | 54% | 0.537 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -25.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S41 L45 A86 | S41-A43 PolarHBondContact O-N 2.91Å; A43-L45 VanDerWaalsContact C-N 3.3Å; A43-L45 PolarHBondContact O-N 2.92Å; A43-A86 HydrophobicContact CB-CB 3.93Å |
| 44 | S | 83.7 | Confident | 86.5 | Confident | 63 Ų | 63 | 53.4 Ų | 53.4 | 44% | 0.441 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -14.6 | -175.3 | 65.3 | 0 | 0 | 0 | 0 | 114.1 | V42 K102 | V42-S44 VanDerWaalsContact C-N 3.26Å; V42-S44 WeakPolarHBondContact CG1-OG 3.42Å; V42-S44 PolarHBondContact O-N 3.32Å; S44-K102 WeakPolarHBondContact O-CD 3.26Å |
| 45 | L | 86.3 | Confident | 85.3 | Confident | 18 Ų | 18 | 55.7 Ų | 55.7 | 9% | 0.094 | 33% | 0.329 | C | S | . | . | trans | -86.4 | 147.7 | -179.9 | -64.9 | 176.3 | 0 | 0 | 0 | 111.6 | F39 V42 A43 R53 I89 K102 V104 | F39-L45 HydrophobicContact CB-CD1 4.03Å; F39-L45 HydrophobicContact CD1-CD1 3.85Å; F39-L45 HydrophobicContact CD2-CD1 3.77Å; F39-L45 HydrophobicContact CE1-CD1 4.27Å; F39-L45 HydrophobicContact CE2-CD1 4.2Å; F39-L45 HydrophobicContact CG-CD1 3.59Å; F39-L45 HydrophobicContact CZ-CD1 4.45Å; V42-L45 HydrophobicContact CB-CD1 3.91Å; V42-L45 HydrophobicContact CB-CG 4.15Å; V42-L45 HydrophobicContact CG1-CB 4.5Å; V42-L45 HydrophobicContact CG1-CD1 3.95Å; V42-L45 HydrophobicContact CG1-CG 3.74Å; V42-L45 HydrophobicContact CG2-CD1 4.4Å; A43-L45 VanDerWaalsContact C-N 3.3Å; A43-L45 PolarHBondContact O-N 2.92Å; L45-R53 PolarHBondContact O-NH2 3.18Å; L45-I89 HydrophobicContact CB-CD1 3.88Å; L45-I89 HydrophobicContact CD1-CD1 4.29Å; L45-K102 CarbonylContact C-O 3.59Å; L45-K102 WeakPolarHBondContact CA-O 3.27Å; L45-V104 HydrophobicContact CB-CG2 4.28Å; L45-V104 HydrophobicContact CD1-CG2 4.05Å; L45-V104 HydrophobicContact CD2-CG2 4.15Å; L45-V104 HydrophobicContact CG-CG2 4.39Å | ||
| 46 | I | 89.1 | Confident | 83.8 | Confident | 99 Ų | 99 | 58.7 Ų | 58.7 | 51% | 0.508 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 128.8 | 178.9 | -58.8 | 172.1 | 0 | 0 | 0 | 107.6 | K102 L103 V104 | I46-K102 HydrophobicContact CD1-CB 4.47Å; I46-K102 HydrophobicContact CG1-CB 4.49Å; I46-K102 PolarHBondContact N-O 3.02Å; I46-L103 HydrophobicContact CB-CD1 4.33Å; I46-L103 HydrophobicContact CG2-CD1 3.99Å; I46-L103 WeakPolarHBondContact O-CA 3.32Å; I46-V104 PolarHBondContact O-N 2.8Å |
| 47 | T | 91.2 | Very high | 81.9 | Confident | 54 Ų | 54 | 59.6 Ų | 59.6 | 33% | 0.331 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 126.1 | 174.6 | 48.9 | 0 | 0 | 0 | 0 | 110.8 | T51 R53 I89 | T47-T51 WeakPolarHBondContact CA-OG1 3.26Å; T47-T51 WeakPolarHBondContact CB-OG1 3.35Å; T47-R53 HydrophobicContact CG2-CG 3.75Å; T47-I89 HydrophobicContact CG2-CD1 4.25Å; T47-I89 HydrophobicContact CG2-CG1 4.17Å; T47-I89 HydrophobicContact CG2-CG2 4.01Å |
| 48 | G | 92.7 | Very high | 79.9 | Confident | 17 Ų | 17 | 60.5 Ų | 60.5 | 18% | 0.175 | 37% | 0.369 | C | S | . | . | trans | -105.3 | -166.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112 | G50 T51 V104 | G48-G50 PolarHBondContact O-N 3.21Å; G48-T51 PolarHBondContact N-OG1 3.4Å; G48-T51 PolarHBondContact O-N 2.91Å; G48-T51 PolarHBondContact O-OG1 3.18Å; G48-V104 WeakPolarHBondContact CA-O 3.25Å; G48-V104 PolarHBondContact N-O 3.02Å | ||
| 49 | H | 92.2 | Very high | 77.9 | Confident | 132 Ų | 132 | 64.3 Ų | 64.3 | 61% | 0.611 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 139 | 179.9 | -64.8 | 91.6 | 0 | 0 | 0 | 112.2 | T51 Y105 V106 | H49-T51 PolarHBondContact O-N 2.83Å; H49-Y105 CarbonylContact O-C 3.59Å; H49-Y105 WeakPolarHBondContact O-CA 3.49Å; H49-Y105 VanDerWaalsContact O-CB 3.28Å; H49-Y105 WeakPolarHBondContact O-CB 3.49Å; H49-V106 PolarHBondContact O-N 2.8Å |
| 50 | G | 93 | Very high | 75.6 | Confident | 9 Ų | 9 | 68.3 Ų | 68.3 | 9% | 0.093 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 6.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | G48 T91 S92 V106 | G48-G50 PolarHBondContact O-N 3.21Å; G50-T91 CarbonylContact O-C 3.57Å; G50-T91 WeakPolarHBondContact O-CA 3.34Å; G50-S92 VanDerWaalsContact C-OG 3.22Å; G50-S92 VanDerWaalsContact CA-OG 3.27Å; G50-S92 WeakPolarHBondContact CA-OG 3.37Å; G50-S92 PolarHBondContact O-N 3.3Å; G50-S92 PolarHBondContact O-OG 3.23Å; G50-V106 WeakPolarHBondContact O-CG2 3.36Å |
| 51 | T | 93.8 | Very high | 73.4 | Confident | 15 Ų | 15 | 73.2 Ų | 73.2 | 9% | 0.092 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 152.1 | 173.1 | 65.3 | 0 | 0 | 0 | 0 | 111.2 | T47 G48 H49 I89 H90 V104 V106 | T47-T51 WeakPolarHBondContact CA-OG1 3.26Å; T47-T51 WeakPolarHBondContact CB-OG1 3.35Å; G48-T51 PolarHBondContact N-OG1 3.4Å; G48-T51 PolarHBondContact O-N 2.91Å; G48-T51 PolarHBondContact O-OG1 3.18Å; H49-T51 PolarHBondContact O-N 2.83Å; T51-I89 HydrophobicContact CG2-CG2 4.23Å; T51-H90 CarbonylContact C-O 3.6Å; T51-H90 WeakPolarHBondContact CA-O 3.23Å; T51-V104 HydrophobicContact CG2-CG1 4.24Å; T51-V104 PolarHBondContact OG1-O 3.35Å; T51-V106 HydrophobicContact CG2-CG2 3.95Å |
| 52 | Y | 92.8 | Very high | 71.9 | Confident | 104 Ų | 104 | 78.1 Ų | 78.1 | 41% | 0.408 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 158.5 | 173.7 | 68.2 | -83.2 | 0 | 0 | 0 | 110.4 | I89 H90 T91 | Y52-I89 WeakPolarHBondContact O-CA 3.32Å; Y52-H90 HydrophobicContact CD1-CB 4.02Å; Y52-H90 HydrophobicContact CD2-CB 4.29Å; Y52-H90 HydrophobicContact CE1-CB 3.53Å; Y52-H90 HydrophobicContact CE2-CB 3.81Å; Y52-H90 HydrophobicContact CG-CB 4.39Å; Y52-H90 VanDerWaalsContact CZ-CB 3.4Å; Y52-H90 PolarHBondContact N-O 3.27Å; Y52-H90 PolarHBondContact O-N 3.23Å; Y52-T91 WeakPolarHBondContact CE1-O 3.22Å |
| 53 | R | 90.2 | Very high | 70.2 | Confident | 39 Ų | 39 | 79.6 Ų | 79.6 | 15% | 0.147 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 137.4 | 171.2 | -67.2 | -176.9 | -179.4 | -86.1 | 7.5 | 109.5 | V42 L45 T47 V55 G87 N88 I89 | V42-R53 PolarHBondContact O-NH1 2.83Å; V42-R53 PolarHBondContact O-NH2 3.24Å; L45-R53 PolarHBondContact O-NH2 3.18Å; T47-R53 HydrophobicContact CG2-CG 3.75Å; R53-V55 PolarHBondContact O-N 3.49Å; R53-G87 PolarHBondContact NH1-O 3.49Å; R53-N88 WeakPolarHBondContact CA-O 3.33Å; R53-I89 HydrophobicContact CG-CG1 4.22Å; R53-I89 VanDerWaalsContact NH1-CG1 3.31Å |
| 54 | S | 82 | Confident | 68.4 | Low | 46 Ų | 46 | 85.4 Ų | 85.4 | 32% | 0.322 | 50% | 0.501 | S | S | . | . | trans | -66.1 | 128.2 | 165.9 | -173.1 | 0 | 0 | 0 | 0 | 108.2 | N88 | S54-N88 PolarHBondContact N-O 3.27Š| ||
| 55 | V | 70.6 | Confident | 66.1 | Low | 119 Ų | 119 | 89.4 Ų | 89.4 | 72% | 0.721 | 52% | 0.517 | S | S | * | . | trans | -95.7 | 108.9 | 165.5 | -177.3 | 0 | 0 | 0 | 0 | 105.3 | R53 A57 | R53-V55 PolarHBondContact O-N 3.49Å; V55-A57 PolarHBondContact O-N 2.78Å | ||
| 56 | D | 59.7 | Low | 64 | Low | 104 Ų | 104 | 95.6 Ų | 95.6 | 56% | 0.556 | 55% | 0.55 | S | S | * | . | trans | -65.6 | 110.7 | 174.8 | -68.9 | -23.2 | 0 | 0 | 0 | 108 | S58 | D56-S58 PolarHBondContact O-N 2.68Š| ||
| 57 | A | 51.5 | Low | 61.3 | Low | 91 Ų | 91 | 96.2 Ų | 96.2 | 75% | 0.752 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -69 | 16.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | V55 | V55-A57 PolarHBondContact O-N 2.78Š|
| 58 | S | 45.4 | Very low | 59 | Low | 99 Ų | 99 | 99.1 Ų | 99.1 | 69% | 0.692 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -89.5 | 5 | -173.8 | 55.6 | 0 | 0 | 0 | 0 | 115.1 | D56 | D56-S58 PolarHBondContact O-N 2.68Š|
| 59 | S | 43 | Very low | 56.2 | Low | 92 Ų | 92 | 103.1 Ų | 103.1 | 64% | 0.643 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -100 | 12.9 | 178.7 | 67.5 | 0 | 0 | 0 | 0 | 115.5 | ||
| 60 | T | 36 | Very low | 53.8 | Low | 110 Ų | 110 | 103.3 Ų | 103.3 | 68% | 0.675 | 63% | 0.627 | S | S | * | * | trans | -123.9 | 56.3 | 174 | 48.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 61 | N | 34.2 | Very low | 51.3 | Low | 157 Ų | 157 | 109.5 Ų | 109.5 | 84% | 0.84 | 66% | 0.658 | S | S | * | * | trans | -100.7 | 85.7 | 156.5 | -82.2 | -17.5 | 0 | 0 | 0 | 108 | G63 | N61-G63 PolarHBondContact O-N 2.92Å; N61-G63 VanDerWaalsContact O-N 3.08Å | ||
| 62 | I | 38 | Very low | 48.5 | Very low | 177 Ų | 177 | 114.6 Ų | 114.6 | 91% | 0.908 | 69% | 0.691 | S | S | * | * | trans | -76.5 | 85.1 | 160.1 | -59.6 | 172.9 | 0 | 0 | 0 | 105 | ||||
| 63 | G | 36.4 | Very low | 45.8 | Very low | 61 Ų | 61 | 117 Ų | 117 | 63% | 0.629 | 71% | 0.711 | S | S | * | * | trans | -128.9 | 109.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | N61 | N61-G63 PolarHBondContact O-N 2.92Å; N61-G63 VanDerWaalsContact O-N 3.08Å | ||
| 64 | E | 35.5 | Very low | 43.4 | Very low | 188 Ų | 188 | 122.1 Ų | 122.1 | 88% | 0.879 | 75% | 0.747 | S | S | * | * | trans | -8.5 | 116.6 | 156.3 | -61.2 | 170.5 | 148.7 | 0 | 0 | 115.1 | ||||
| 65 | D | 34.7 | Very low | 41.1 | Very low | 147 Ų | 147 | 128.6 Ų | 128.6 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | 167 | 143.9 | 119.4 | -100.1 | -25 | 0 | 0 | 0 | 114.9 | |||||
| 66 | L | 42.2 | Very low | 39.2 | Very low | 148 Ų | 148 | 127.5 Ų | 127.5 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | trans | 87.1 | 92.4 | 151.8 | -64.7 | 148.1 | 0 | 0 | 0 | 120.5 | ||||
| 67 | S | 33.1 | Very low | 37.8 | Very low | 111 Ų | 111 | 127.7 Ų | 127.7 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -17.5 | 119.2 | 141.8 | 55.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 68 | S | 42 | Very low | 36.9 | Very low | 116 Ų | 116 | 129 Ų | 129 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -167.1 | 130 | 137 | 52.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 69 | A | 33.8 | Very low | 36 | Very low | 101 Ų | 101 | 132.2 Ų | 132.2 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | trans | -57.7 | 129 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 70 | V | 41.9 | Very low | 35.3 | Very low | 135 Ų | 135 | 131.3 Ų | 131.3 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -145 | 113.5 | 155.7 | -174 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 71 | N | 41.5 | Very low | 35.2 | Very low | 140 Ų | 140 | 133.6 Ų | 133.6 | 75% | 0.749 | 81% | 0.811 | S | S | * | * | trans | 1.8 | 130.7 | 165.8 | -58 | -25.2 | 0 | 0 | 0 | 121.7 | ||||
| 72 | P | 33.7 | Very low | 35.5 | Very low | 121 Ų | 121 | 131.9 Ų | 131.9 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -96.9 | 85.2 | 171.9 | 36.7 | -25.5 | 0 | 0 | 0 | 110.5 | ||
| 73 | D | 35.4 | Very low | 35.6 | Very low | 156 Ų | 156 | 126.4 Ų | 126.4 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | trans | -157.5 | 37.5 | 176.4 | -102.5 | -21.2 | 0 | 0 | 0 | 115.1 | ||||
| 74 | T | 40.3 | Very low | 36.5 | Very low | 146 Ų | 146 | 129.9 Ų | 129.9 | 90% | 0.896 | 80% | 0.799 | S | S | * | * | trans | -133.2 | 67.2 | 170.1 | 34.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 75 | L | 33.3 | Very low | 37.4 | Very low | 181 Ų | 181 | 127.2 Ų | 127.2 | 95% | 0.948 | 79% | 0.786 | S | S | * | * | trans | -94.3 | 92 | 162.2 | -116 | 151.9 | 0 | 0 | 0 | 108.1 | ||||
| 76 | A | 31.1 | Very low | 38.9 | Very low | 97 Ų | 97 | 122.2 Ų | 122.2 | 80% | 0.802 | 77% | 0.765 | S | S | * | * | trans | -168.8 | 135.4 | 157.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 77 | S | 30.4 | Very low | 40.7 | Very low | 108 Ų | 108 | 115.8 Ų | 115.8 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | trans | 99.4 | 98.2 | 147.8 | 160.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 78 | V | 33.8 | Very low | 43.3 | Very low | 119 Ų | 119 | 112.9 Ų | 112.9 | 72% | 0.721 | 71% | 0.71 | S | S | * | * | 99.5 | 90.5 | 129.8 | -174.9 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 79 | N | 26.1 | Very low | 45.6 | Very low | 165 Ų | 165 | 107.4 Ų | 107.4 | 88% | 0.882 | 67% | 0.672 | S | S | * | * | 27.9 | 103.6 | 129.9 | -59.2 | -20.9 | 0 | 0 | 0 | 118.4 | |||||
| 80 | G | 28.4 | Very low | 48.3 | Very low | 73 Ų | 73 | 104 Ų | 104 | 75% | 0.753 | 64% | 0.639 | S | S | * | * | trans | -165.3 | 125.9 | 159 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 81 | D | 33 | Very low | 50.8 | Low | 158 Ų | 158 | 97.6 Ų | 97.6 | 85% | 0.845 | 60% | 0.6 | S | S | * | * | trans | -41.4 | 146.4 | 174.3 | -103.6 | -31.2 | 0 | 0 | 0 | 111.5 | G83 | D81-G83 PolarHBondContact O-N 3.4Š| ||
| 82 | P | 40.6 | Very low | 53.3 | Low | 121 Ų | 121 | 93.6 Ų | 93.6 | 79% | 0.786 | 58% | 0.583 | S | S | * | * | trans | -53.5 | 107.3 | 177.1 | 24.2 | -32.1 | 0 | 0 | 0 | 108.7 | I84 | P82-I84 PolarHBondContact O-N 3.42Š| ||
| 83 | G | 41.3 | Very low | 56.2 | Low | 63 Ų | 63 | 91.2 Ų | 91.2 | 65% | 0.649 | 56% | 0.563 | S | S | * | * | trans | -58 | 125.1 | -167.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | D81 Q85 | D81-G83 PolarHBondContact O-N 3.4Å; G83-Q85 PolarHBondContact O-N 2.86Å | ||
| 84 | I | 55.2 | Low | 59 | Low | 134 Ų | 134 | 87.6 Ų | 87.6 | 69% | 0.687 | 55% | 0.547 | S | S | * | . | trans | -52.9 | 104.3 | 164.5 | -60 | 171.9 | 0 | 0 | 0 | 106 | P82 A86 | P82-I84 PolarHBondContact O-N 3.42Å; I84-A86 PolarHBondContact O-N 3.26Å | ||
| 85 | Q | 54.2 | Low | 61.5 | Low | 132 Ų | 132 | 81 Ų | 81 | 62% | 0.617 | 51% | 0.508 | S | S | * | . | trans | -53.2 | 130.8 | 178.1 | -71.5 | -179.8 | -8.9 | 0 | 0 | 108.2 | G83 G87 | G83-Q85 PolarHBondContact O-N 2.86Å; Q85-G87 PolarHBondContact O-N 2.79Å | ||
| 86 | A | 64.7 | Low | 64.3 | Low | 41 Ų | 41 | 79.7 Ų | 79.7 | 34% | 0.339 | 49% | 0.491 | S | S | . | . | trans | -73.2 | 58.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S41 A43 I84 | S41-A86 VanDerWaalsContact CA-O 3.26Å; S41-A86 WeakPolarHBondContact CA-O 3.48Å; S41-A86 WeakPolarHBondContact CB-O 3.38Å; S41-A86 PolarHBondContact OG-O 2.98Å; A43-A86 HydrophobicContact CB-CB 3.93Å; I84-A86 PolarHBondContact O-N 3.26Å | ||
| 87 | G | 80.3 | Confident | 67.3 | Low | 13 Ų | 13 | 75 Ų | 75 | 13% | 0.134 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 157.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | R53 Q85 | R53-G87 PolarHBondContact NH1-O 3.49Å; Q85-G87 PolarHBondContact O-N 2.79Å |
| 88 | N | 87.8 | Confident | 70.2 | Confident | 51 Ų | 51 | 73.5 Ų | 73.5 | 27% | 0.273 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 141 | 177.3 | -66.5 | -15.3 | 0 | 0 | 0 | 111 | I37 S40 S41 R53 S54 H90 | I37-N88 HydrophobicContact CG2-CB 4.17Å; S40-N88 VanDerWaalsContact CA-OD1 3.3Å; S40-N88 WeakPolarHBondContact CA-OD1 3.47Å; S41-N88 PolarHBondContact N-OD1 3.23Å; S41-N88 VanDerWaalsContact N-OD1 3.16Å; R53-N88 WeakPolarHBondContact CA-O 3.33Å; S54-N88 PolarHBondContact N-O 3.27Å; N88-H90 PolarHBondContact O-CD2 2.9Å |
| 89 | I | 90 | Very high | 72.9 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 117.2 | 172.9 | -57.6 | -179.3 | 0 | 0 | 0 | 108.1 | V38 F39 L45 T47 T51 Y52 R53 | V38-I89 PolarHBondContact N-O 3.42Å; F39-I89 HydrophobicContact CB-CB 4.35Å; F39-I89 HydrophobicContact CB-CD1 4.22Å; F39-I89 HydrophobicContact CB-CG1 4.45Å; F39-I89 HydrophobicContact CD2-CD1 4.49Å; F39-I89 PolarHBondContact O-N 3.09Å; L45-I89 HydrophobicContact CB-CD1 3.88Å; L45-I89 HydrophobicContact CD1-CD1 4.29Å; T47-I89 HydrophobicContact CG2-CD1 4.25Å; T47-I89 HydrophobicContact CG2-CG1 4.17Å; T47-I89 HydrophobicContact CG2-CG2 4.01Å; T51-I89 HydrophobicContact CG2-CG2 4.23Å; Y52-I89 WeakPolarHBondContact O-CA 3.32Å; R53-I89 HydrophobicContact CG-CG1 4.22Å; R53-I89 VanDerWaalsContact NH1-CG1 3.31Å |
| 90 | H | 92.1 | Very high | 76 | Confident | 30 Ų | 30 | 64.5 Ų | 64.5 | 14% | 0.139 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 156.3 | 174 | -64.3 | -100.4 | 0 | 0 | 0 | 111 | G35 E36 I37 T51 Y52 N88 | G35-H90 PolarHBondContact O-ND1 3.43Å; E36-H90 CarbonylContact O-C 3.47Å; E36-H90 VanDerWaalsContact O-CA 3.26Å; E36-H90 WeakPolarHBondContact O-CA 3.47Å; I37-H90 WeakPolarHBondContact CG1-CE1 3.36Å; T51-H90 CarbonylContact C-O 3.6Å; T51-H90 WeakPolarHBondContact CA-O 3.23Å; Y52-H90 HydrophobicContact CD1-CB 4.02Å; Y52-H90 HydrophobicContact CD2-CB 4.29Å; Y52-H90 HydrophobicContact CE1-CB 3.53Å; Y52-H90 HydrophobicContact CE2-CB 3.81Å; Y52-H90 HydrophobicContact CG-CB 4.39Å; Y52-H90 VanDerWaalsContact CZ-CB 3.4Å; Y52-H90 PolarHBondContact N-O 3.27Å; Y52-H90 PolarHBondContact O-N 3.23Å; N88-H90 PolarHBondContact O-CD2 2.9Å |
| 91 | T | 93.4 | Very high | 78.9 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 142.4 | 171.2 | 55.6 | 0 | 0 | 0 | 0 | 110.9 | V32 V33 G35 E36 V38 G50 Y52 V106 | V32-T91 HydrophobicContact CB-CG2 3.87Å; V32-T91 HydrophobicContact CG1-CG2 4.29Å; V32-T91 HydrophobicContact CG2-CG2 3.73Å; V33-T91 PolarHBondContact O-OG1 3.37Å; G35-T91 PolarHBondContact N-O 3.27Å; G35-T91 PolarHBondContact N-OG1 2.77Å; E36-T91 PolarHBondContact N-OG1 2.76Å; E36-T91 PolarHBondContact O-N 3.11Å; E36-T91 PolarHBondContact O-OG1 2.94Å; V38-T91 HydrophobicContact CG2-CG2 3.16Å; G50-T91 CarbonylContact O-C 3.57Å; G50-T91 WeakPolarHBondContact O-CA 3.34Å; Y52-T91 WeakPolarHBondContact CE1-O 3.22Å; T91-V106 HydrophobicContact CG2-CG2 4.02Å |
| 92 | S | 94.2 | Very high | 81.6 | Confident | 56 Ų | 56 | 63.1 Ų | 63.1 | 39% | 0.392 | 35% | 0.351 | S | S | . | . | trans | -108.5 | -10.3 | 170.5 | 57.7 | 0 | 0 | 0 | 0 | 113.3 | G50 | G50-S92 VanDerWaalsContact C-OG 3.22Å; G50-S92 VanDerWaalsContact CA-OG 3.27Å; G50-S92 WeakPolarHBondContact CA-OG 3.37Å; G50-S92 PolarHBondContact O-N 3.3Å; G50-S92 PolarHBondContact O-OG 3.23Å | ||
| 93 | L | 93.7 | Very high | 84 | Confident | 72 Ų | 72 | 60.5 Ų | 60.5 | 38% | 0.377 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -127.8 | 151.4 | -175.8 | -63.4 | 177.1 | 0 | 0 | 0 | 111.3 | V106 | L93-V106 HydrophobicContact CB-CG1 4.22Š|
| 94 | T | 94.6 | Very high | 86.4 | Confident | 79 Ų | 79 | 57.5 Ų | 57.5 | 49% | 0.485 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -79.1 | 128.1 | 165.1 | -50.4 | 0 | 0 | 0 | 0 | 109.4 | V32 V33 P34 P108 P109 | V32-T94 VanDerWaalsContact O-CA 3.3Å; V32-T94 WeakPolarHBondContact O-CA 3.27Å; V33-T94 HydrophobicContact CG1-CG2 4.44Å; P34-T94 VanDerWaalsContact CD-OG1 3.3Å; P34-T94 WeakPolarHBondContact CD-OG1 3.41Å; T94-P108 WeakPolarHBondContact O-CA 3.28Å; T94-P109 WeakPolarHBondContact O-CD 3.4Å |
| 95 | G | 93.2 | Very high | 88.2 | Confident | 9 Ų | 9 | 54.5 Ų | 54.5 | 9% | 0.093 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.5 | -162.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A31 V32 E107 | A31-G95 CarbonylContact C-O 3.58Å; A31-G95 WeakPolarHBondContact CA-O 3.35Å; V32-G95 WeakPolarHBondContact CG2-O 3.36Å; V32-G95 PolarHBondContact N-O 2.87Å; V32-G95 PolarHBondContact O-N 2.87Å; V32-G95 VanDerWaalsContact O-N 3.13Å; G95-E107 CarbonylContact C-O 3.59Å; G95-E107 VanDerWaalsContact CA-O 3.23Å; G95-E107 WeakPolarHBondContact CA-O 3.34Å |
| 96 | R | 92.9 | Very high | 90.1 | Very high | 152 Ų | 152 | 48.3 Ų | 48.3 | 57% | 0.574 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 132 | 174.3 | -69.1 | -175.2 | 177.3 | 173.5 | -2.2 | 110.3 | S30 E107 | S30-R96 CarbonylContact O-C 3.54Å; S30-R96 WeakPolarHBondContact O-CA 2.84Å; R96-E107 PolarHBondContact N-O 3.32Å; R96-E107 PolarHBondContact O-N 3.38Å |
| 97 | V | 92.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 132.6 | 173.6 | 178 | 0 | 0 | 0 | 0 | 109.7 | I26 G29 S30 V32 V38 I99 V104 V106 | I26-V97 HydrophobicContact CG2-CB 3.97Å; I26-V97 HydrophobicContact CG2-CG1 4.09Å; I26-V97 HydrophobicContact CG2-CG2 3.83Å; G29-V97 WeakPolarHBondContact CA-O 3.36Å; G29-V97 PolarHBondContact N-O 3.26Å; S30-V97 PolarHBondContact O-N 3.07Å; V32-V97 HydrophobicContact CB-CG2 4.18Å; V32-V97 HydrophobicContact CG1-CG2 3.46Å; V32-V97 VanDerWaalsContact CG1-CG2 3.46Å; V32-V97 HydrophobicContact CG2-CG2 3.62Å; V38-V97 HydrophobicContact CG1-CG1 3.96Å; V38-V97 HydrophobicContact CG1-CG2 4.1Å; V38-V97 HydrophobicContact CG2-CG2 4.45Å; V97-I99 HydrophobicContact CG1-CG1 4.15Å; V97-V104 HydrophobicContact CG1-CG1 4Å; V97-V106 HydrophobicContact CG2-CG2 4.41Å |
| 98 | R | 92.6 | Very high | 91.9 | Very high | 75 Ų | 75 | 51.5 Ų | 51.5 | 28% | 0.283 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 129.3 | 175.6 | -66.2 | -63.5 | -165.6 | 168.9 | 5.7 | 109.4 | V104 Y105 E107 | R98-V104 WeakPolarHBondContact O-CA 3.48Å; R98-Y105 HydrophobicContact CB-CD1 3.89Å; R98-Y105 HydrophobicContact CB-CD2 4.01Å; R98-Y105 HydrophobicContact CB-CE1 3.42Å; R98-Y105 VanDerWaalsContact CB-CE1 3.42Å; R98-Y105 HydrophobicContact CB-CE2 3.56Å; R98-Y105 HydrophobicContact CB-CG 4.16Å; R98-Y105 HydrophobicContact CG-CD2 4.48Å; R98-Y105 HydrophobicContact CG-CE1 4.41Å; R98-Y105 HydrophobicContact CG-CE2 3.78Å; R98-Y105 PolarHBondContact N-O 3.34Å; R98-Y105 WeakPolarHBondContact O-CD1 3.47Å; R98-Y105 PolarHBondContact O-N 2.76Å; R98-E107 HydrophobicContact CG-CB 4.02Å; R98-E107 IonicContact CZ-OE2 3.1Å; R98-E107 VanDerWaalsContact CZ-OE2 3.31Å; R98-E107 IonicContact NE-OE2 3.2Å; R98-E107 PolarHBondContact NE-OE2 2.9Å; R98-E107 IonicContact NH2-OE2 2.7Å; R98-E107 PolarHBondContact NH2-OE2 2.89Å |
| 99 | I | 90.5 | Very high | 91.8 | Very high | 22 Ų | 22 | 53.8 Ų | 53.8 | 11% | 0.113 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 118.4 | 179.4 | -51.3 | 168.9 | 0 | 0 | 0 | 106.2 | V16 F39 V97 L103 V104 | V16-I99 HydrophobicContact CG2-CD1 3.83Å; V16-I99 HydrophobicContact CG2-CG2 4.48Å; F39-I99 HydrophobicContact CE2-CD1 4.14Å; F39-I99 HydrophobicContact CZ-CD1 3.65Å; F39-I99 HydrophobicContact CZ-CG1 4.48Å; V97-I99 HydrophobicContact CG1-CG1 4.15Å; I99-L103 WeakPolarHBondContact CA-O 3.5Å; I99-V104 HydrophobicContact CG1-CG2 4.49Å |
| 100 | V | 89.7 | Confident | 91.5 | Very high | 73 Ų | 73 | 62.5 Ų | 62.5 | 44% | 0.442 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 107.6 | 176.6 | 180 | 0 | 0 | 0 | 0 | 107.5 | K102 L103 Y105 | V100-K102 PolarHBondContact O-N 3.25Å; V100-K102 VanDerWaalsContact O-N 3.11Å; V100-L103 PolarHBondContact N-O 2.92Å; V100-L103 WeakPolarHBondContact O-CB 3.46Å; V100-L103 PolarHBondContact O-N 3.31Å; V100-Y105 HydrophobicContact CG2-CE1 3.94Å |
| 101 | N | 90 | Very high | 91.2 | Very high | 104 Ų | 104 | 63.6 Ų | 63.6 | 56% | 0.556 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | -112 | -168.5 | -55 | -31.5 | 0 | 0 | 0 | 110.5 | Y15 | Y15-N101 HydrophobicContact CE2-CB 4.29Š|
| 102 | K | 89.6 | Confident | 91.2 | Very high | 98 Ų | 98 | 71.5 Ų | 71.5 | 43% | 0.426 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -7.1 | 176.6 | -65.9 | 177.5 | 172.3 | -170.8 | 0 | 113.3 | S44 L45 I46 V100 | S44-K102 WeakPolarHBondContact O-CD 3.26Å; L45-K102 CarbonylContact C-O 3.59Å; L45-K102 WeakPolarHBondContact CA-O 3.27Å; I46-K102 HydrophobicContact CD1-CB 4.47Å; I46-K102 HydrophobicContact CG1-CB 4.49Å; I46-K102 PolarHBondContact N-O 3.02Å; V100-K102 PolarHBondContact O-N 3.25Å; V100-K102 VanDerWaalsContact O-N 3.11Å |
| 103 | L | 91.2 | Very high | 91.2 | Very high | 66 Ų | 66 | 69.2 Ų | 69.2 | 35% | 0.346 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 123.1 | -177.3 | -178.7 | 68.5 | 0 | 0 | 0 | 110.2 | I46 I99 V100 Y105 | I46-L103 HydrophobicContact CB-CD1 4.33Å; I46-L103 HydrophobicContact CG2-CD1 3.99Å; I46-L103 WeakPolarHBondContact O-CA 3.32Å; I99-L103 WeakPolarHBondContact CA-O 3.5Å; V100-L103 PolarHBondContact N-O 2.92Å; V100-L103 WeakPolarHBondContact O-CB 3.46Å; V100-L103 PolarHBondContact O-N 3.31Å; L103-Y105 HydrophobicContact CD2-CD1 4.29Å; L103-Y105 HydrophobicContact CG-CD1 4.33Å |
| 104 | V | 92.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 124.7 | 173.7 | -174.7 | 0 | 0 | 0 | 0 | 108.7 | V38 F39 L45 I46 G48 T51 V97 R98 I99 | V38-V104 HydrophobicContact CG1-CG1 4.46Å; F39-V104 HydrophobicContact CD2-CG1 4.17Å; F39-V104 HydrophobicContact CD2-CG2 4.09Å; F39-V104 HydrophobicContact CE2-CG1 3.85Å; F39-V104 HydrophobicContact CE2-CG2 3.82Å; L45-V104 HydrophobicContact CB-CG2 4.28Å; L45-V104 HydrophobicContact CD1-CG2 4.05Å; L45-V104 HydrophobicContact CD2-CG2 4.15Å; L45-V104 HydrophobicContact CG-CG2 4.39Å; I46-V104 PolarHBondContact O-N 2.8Å; G48-V104 WeakPolarHBondContact CA-O 3.25Å; G48-V104 PolarHBondContact N-O 3.02Å; T51-V104 HydrophobicContact CG2-CG1 4.24Å; T51-V104 PolarHBondContact OG1-O 3.35Å; V97-V104 HydrophobicContact CG1-CG1 4Å; R98-V104 WeakPolarHBondContact O-CA 3.48Å; I99-V104 HydrophobicContact CG1-CG2 4.49Å |
| 105 | Y | 93.4 | Very high | 91.1 | Very high | 71 Ų | 71 | 67.5 Ų | 67.5 | 28% | 0.278 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 163.2 | 175.5 | 69.5 | -85.6 | 0 | 0 | 0 | 110.8 | H49 R98 V100 L103 E107 | H49-Y105 CarbonylContact O-C 3.59Å; H49-Y105 WeakPolarHBondContact O-CA 3.49Å; H49-Y105 VanDerWaalsContact O-CB 3.28Å; H49-Y105 WeakPolarHBondContact O-CB 3.49Å; R98-Y105 HydrophobicContact CB-CD1 3.89Å; R98-Y105 HydrophobicContact CB-CD2 4.01Å; R98-Y105 HydrophobicContact CB-CE1 3.42Å; R98-Y105 VanDerWaalsContact CB-CE1 3.42Å; R98-Y105 HydrophobicContact CB-CE2 3.56Å; R98-Y105 HydrophobicContact CB-CG 4.16Å; R98-Y105 HydrophobicContact CG-CD2 4.48Å; R98-Y105 HydrophobicContact CG-CE1 4.41Å; R98-Y105 HydrophobicContact CG-CE2 3.78Å; R98-Y105 PolarHBondContact N-O 3.34Å; R98-Y105 WeakPolarHBondContact O-CD1 3.47Å; R98-Y105 PolarHBondContact O-N 2.76Å; V100-Y105 HydrophobicContact CG2-CE1 3.94Å; L103-Y105 HydrophobicContact CD2-CD1 4.29Å; L103-Y105 HydrophobicContact CG-CD1 4.33Å; Y105-E107 HydrophobicContact CE2-CB 4.41Å |
| 106 | V | 93.9 | Very high | 91.2 | Very high | 3 Ų | 3 | 70.5 Ų | 70.5 | 2% | 0.018 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 125.6 | 176.2 | -179 | 0 | 0 | 0 | 0 | 109.1 | V32 H49 G50 T51 T91 L93 V97 P108 | V32-V106 HydrophobicContact CG2-CG1 3.94Å; V32-V106 HydrophobicContact CG2-CG2 4Å; H49-V106 PolarHBondContact O-N 2.8Å; G50-V106 WeakPolarHBondContact O-CG2 3.36Å; T51-V106 HydrophobicContact CG2-CG2 3.95Å; T91-V106 HydrophobicContact CG2-CG2 4.02Å; L93-V106 HydrophobicContact CB-CG1 4.22Å; V97-V106 HydrophobicContact CG2-CG2 4.41Å; V106-P108 VanDerWaalsContact O-CD 3.25Å; V106-P108 WeakPolarHBondContact O-CD 3.33Å |
| 107 | E | 91.3 | Very high | 91.4 | Very high | 82 Ų | 82 | 68.1 Ų | 68.1 | 38% | 0.383 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 105 | 174 | -174.7 | 176.8 | -161.6 | 0 | 0 | 109.4 | G95 R96 R98 Y105 | G95-E107 CarbonylContact C-O 3.59Å; G95-E107 VanDerWaalsContact CA-O 3.23Å; G95-E107 WeakPolarHBondContact CA-O 3.34Å; R96-E107 PolarHBondContact N-O 3.32Å; R96-E107 PolarHBondContact O-N 3.38Å; R98-E107 HydrophobicContact CG-CB 4.02Å; R98-E107 IonicContact CZ-OE2 3.1Å; R98-E107 VanDerWaalsContact CZ-OE2 3.31Å; R98-E107 IonicContact NE-OE2 3.2Å; R98-E107 PolarHBondContact NE-OE2 2.9Å; R98-E107 IonicContact NH2-OE2 2.7Å; R98-E107 PolarHBondContact NH2-OE2 2.89Å; Y105-E107 HydrophobicContact CE2-CB 4.41Å |
| 108 | P | 91.3 | Very high | 91.5 | Very high | 38 Ų | 38 | 70.5 Ų | 70.5 | 25% | 0.247 | 37% | 0.365 | C | S | . | . | trans | -73.3 | 150.2 | 179.2 | 32.1 | -38.1 | 0 | 0 | 0 | 111.5 | T94 V106 K110 A111 | T94-P108 WeakPolarHBondContact O-CA 3.28Å; V106-P108 VanDerWaalsContact O-CD 3.25Å; V106-P108 WeakPolarHBondContact O-CD 3.33Å; P108-K110 VanDerWaalsContact C-N 3.27Å; P108-K110 PolarHBondContact O-N 2.88Å; P108-A111 HydrophobicContact CG-CB 3.88Å | ||
| 109 | P | 85.2 | Confident | 91.6 | Very high | 99 Ų | 99 | 67.7 Ų | 67.7 | 64% | 0.643 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -66.9 | -28.8 | -179.8 | 26.9 | -34.5 | 0 | 0 | 0 | 113.1 | T94 | T94-P109 WeakPolarHBondContact O-CD 3.4Š|
| 110 | K | 84.5 | Confident | 91.9 | Very high | 183 Ų | 183 | 67.2 Ų | 67.2 | 80% | 0.796 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -130.2 | 125.5 | 174.2 | -69.6 | -177.9 | 178.3 | 177 | 0 | 108.4 | P108 | P108-K110 VanDerWaalsContact C-N 3.27Å; P108-K110 PolarHBondContact O-N 2.88Å |
| 111 | A | 85.7 | Confident | 92.2 | Very high | 54 Ų | 54 | 63.8 Ų | 63.8 | 45% | 0.446 | 33% | 0.333 | S | S | . | . | trans | -138.7 | 153.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | P108 P213 | P108-A111 HydrophobicContact CG-CB 3.88Å; A111-P213 WeakPolarHBondContact O-CG 3.47Å | ||
| 112 | R | 92.4 | Very high | 92.6 | Very high | 166 Ų | 166 | 58.9 Ų | 58.9 | 63% | 0.626 | 31% | 0.306 | S | S | * | . | trans | -68 | 158.6 | 162.5 | -69.9 | -176.6 | 176 | -99.3 | -2.6 | 109.4 | F114 S139 | R112-F114 PolarHBondContact O-N 3.42Å; R112-S139 PolarHBondContact NH1-O 2.73Å | ||
| 113 | Y | 95.3 | Very high | 92.9 | Very high | 7 Ų | 7 | 54.2 Ų | 54.2 | 3% | 0.027 | 29% | 0.287 | C | S | . | . | trans | -64.6 | 125.6 | 178.4 | 169.3 | -116.7 | 0 | 0 | 0 | 110.6 | G115 D119 V121 N138 S139 L191 P213 C253 N254 | Y113-G115 WeakPolarHBondContact OH-CA 3.43Å; Y113-D119 WeakPolarHBondContact OH-CB 3.33Å; Y113-D119 PolarHBondContact OH-OD2 2.78Å; Y113-D119 VanDerWaalsContact OH-OD2 3.11Å; Y113-V121 HydrophobicContact CE1-CG1 3.72Å; Y113-V121 WeakPolarHBondContact OH-CG1 3.33Å; Y113-N138 WeakPolarHBondContact CB-O 3.46Å; Y113-N138 PolarHBondContact N-O 2.88Å; Y113-S139 WeakPolarHBondContact O-CA 3.41Å; Y113-S139 PolarHBondContact O-OG 3.01Å; Y113-L191 HydrophobicContact CD1-CD1 4.12Å; Y113-L191 HydrophobicContact CE1-CD1 3.68Å; Y113-P213 HydrophobicContact CD2-CB 4.47Å; Y113-C253 WeakPolarHBondContact CD2-O 3.41Å; Y113-C253 HydrophobicContact CE2-CB 3.9Å; Y113-N254 HydrophobicContact CD1-CB 3.4Å; Y113-N254 VanDerWaalsContact CD2-CA 3.43Å; Y113-N254 HydrophobicContact CD2-CB 3.82Å; Y113-N254 HydrophobicContact CE1-CB 3.77Å; Y113-N254 HydrophobicContact CE2-CB 4.15Å; Y113-N254 VanDerWaalsContact CG-CA 3.46Å; Y113-N254 HydrophobicContact CG-CB 3.4Å | ||
| 114 | F | 92.8 | Very high | 93.2 | Very high | 114 Ų | 114 | 55.1 Ų | 55.1 | 50% | 0.5 | 29% | 0.286 | S | S | . | . | trans | -104.2 | 116.9 | 166.8 | -169.7 | -93.2 | 0 | 0 | 0 | 108 | R112 | R112-F114 PolarHBondContact O-N 3.42Š| ||
| 115 | G | 93.7 | Very high | 93.4 | Very high | 2 Ų | 2 | 55.2 Ų | 55.2 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | trans | -78.1 | 140.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y113 V185 | Y113-G115 WeakPolarHBondContact OH-CA 3.43Å; G115-V185 WeakPolarHBondContact O-CG2 3.41Å | ||
| 116 | N | 94.7 | Very high | 93.6 | Very high | 72 Ų | 72 | 55 Ų | 55 | 39% | 0.385 | 29% | 0.292 | S | S | . | . | trans | -110.3 | 150.2 | 166.1 | -65.6 | -34.5 | 0 | 0 | 0 | 109.8 | G118 D119 V182 R218 | N116-G118 PolarHBondContact O-N 2.86Å; N116-D119 WeakPolarHBondContact CB-OD2 3.31Å; N116-D119 PolarHBondContact N-OD2 3.26Å; N116-D119 VanDerWaalsContact O-CB 3.28Å; N116-D119 WeakPolarHBondContact O-CB 3.32Å; N116-D119 PolarHBondContact O-N 3.02Å; N116-D119 VanDerWaalsContact O-N 3.08Å; N116-V182 VanDerWaalsContact O-CB 3.32Å; N116-V182 WeakPolarHBondContact O-CB 3.47Å; N116-V182 WeakPolarHBondContact O-CG1 3.46Å; N116-R218 VanDerWaalsContact ND2-CZ 3.29Å; N116-R218 PolarHBondContact ND2-NH1 2.62Å; N116-R218 PolarHBondContact ND2-NH2 3.02Å | ||
| 117 | V | 96.3 | Very high | 93.7 | Very high | 102 Ų | 102 | 58.6 Ų | 58.6 | 62% | 0.618 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 131 | 174.5 | 177.4 | 0 | 0 | 0 | 0 | 109.7 | H183 V185 | V117-H183 WeakPolarHBondContact CG1-O 3.49Å; V117-V185 HydrophobicContact CG2-CG2 4.31Å |
| 118 | G | 94.6 | Very high | 93.9 | Very high | 49 Ų | 49 | 56 Ų | 56 | 51% | 0.505 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | -4.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | N116 T120 V182 | N116-G118 PolarHBondContact O-N 2.86Å; G118-T120 PolarHBondContact O-N 3.48Å; G118-V182 PolarHBondContact N-O 3.06Å |
| 119 | D | 96.3 | Very high | 94.1 | Very high | 17 Ų | 17 | 56.8 Ų | 56.8 | 9% | 0.091 | 30% | 0.299 | C | S | . | . | trans | -64.7 | 132.2 | 175.8 | -78.3 | -18.2 | 0 | 0 | 0 | 111.2 | Y113 N116 V121 E181 V182 R218 C253 | Y113-D119 WeakPolarHBondContact OH-CB 3.33Å; Y113-D119 PolarHBondContact OH-OD2 2.78Å; Y113-D119 VanDerWaalsContact OH-OD2 3.11Å; N116-D119 WeakPolarHBondContact CB-OD2 3.31Å; N116-D119 PolarHBondContact N-OD2 3.26Å; N116-D119 VanDerWaalsContact O-CB 3.28Å; N116-D119 WeakPolarHBondContact O-CB 3.32Å; N116-D119 PolarHBondContact O-N 3.02Å; N116-D119 VanDerWaalsContact O-N 3.08Å; D119-V121 HydrophobicContact CB-CG1 4.5Å; D119-E181 WeakPolarHBondContact O-CA 3.37Å; D119-V182 HydrophobicContact CB-CB 4.49Å; D119-V182 HydrophobicContact CB-CG2 4.05Å; D119-V182 PolarHBondContact O-N 3Å; D119-R218 IonicContact OD1-CZ 3.76Å; D119-R218 IonicContact OD1-NH1 3.93Å; D119-R218 PolarHBondContact OD1-NH1 3.3Å; D119-R218 IonicContact OD2-CZ 3.92Å; D119-R218 IonicContact OD2-NH1 3.77Å; D119-R218 PolarHBondContact OD2-NH1 3.09Å; D119-R218 IonicContact OD2-NH2 3.08Å; D119-R218 PolarHBondContact OD2-NH2 2.94Å; D119-R218 VanDerWaalsContact OD2-NH2 3.09Å; D119-C253 HydrophobicContact CB-CB 4.08Å | ||
| 120 | T | 95.5 | Very high | 94.4 | Very high | 12 Ų | 12 | 59.1 Ų | 59.1 | 7% | 0.074 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 124.4 | 168.2 | -63.2 | 0 | 0 | 0 | 0 | 108.9 | G118 V179 H222 R223 G252 C253 | G118-T120 PolarHBondContact O-N 3.48Å; T120-V179 HydrophobicContact CG2-CG2 3.82Å; T120-H222 HydrophobicContact CG2-CB 4.26Å; T120-R223 PolarHBondContact OG1-NH1 2.87Å; T120-G252 WeakPolarHBondContact O-CA 3.11Å; T120-C253 PolarHBondContact O-N 3.43Å |
| 121 | V | 97 | Very high | 94.8 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 145.4 | -179.1 | -65.1 | 0 | 0 | 0 | 0 | 110.9 | Y113 D119 V137 V179 A180 V182 L193 N254 | Y113-V121 HydrophobicContact CE1-CG1 3.72Å; Y113-V121 WeakPolarHBondContact OH-CG1 3.33Å; D119-V121 HydrophobicContact CB-CG1 4.5Å; V121-V137 HydrophobicContact CG2-CG1 4.3Å; V121-V179 WeakPolarHBondContact O-CA 3.47Å; V121-A180 HydrophobicContact CG2-CB 4.49Å; V121-A180 PolarHBondContact N-O 3.37Å; V121-A180 PolarHBondContact O-N 3.04Å; V121-V182 HydrophobicContact CG1-CG2 4.15Å; V121-V182 HydrophobicContact CG2-CG2 4.44Å; V121-L193 HydrophobicContact CG2-CD2 3.86Å; V121-N254 HydrophobicContact CG1-CB 4.15Å |
| 122 | V | 96.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 135.1 | 166.8 | 177.6 | 0 | 0 | 0 | 0 | 107.2 | I178 V179 L203 L208 I250 N254 Y256 W258 | V122-I178 WeakPolarHBondContact CA-O 3.44Å; V122-V179 HydrophobicContact CG2-CG2 4.38Å; V122-L203 HydrophobicContact CG1-CD1 4.01Å; V122-L203 HydrophobicContact CG2-CD1 4.49Å; V122-L208 HydrophobicContact CG1-CD1 3.74Å; V122-I250 HydrophobicContact CG2-CB 4.24Å; V122-I250 HydrophobicContact CG2-CG2 3.54Å; V122-N254 PolarHBondContact N-OD1 2.88Å; V122-N254 PolarHBondContact O-ND2 2.98Å; V122-Y256 WeakPolarHBondContact O-CB 3.32Å; V122-Y256 VanDerWaalsContact O-CD2 3.25Å; V122-Y256 WeakPolarHBondContact O-CD2 3.4Å; V122-W258 HydrophobicContact CG1-CB 4.38Å; V122-W258 HydrophobicContact CG2-CB 4.47Å |
| 123 | G | 96.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 162.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D136 L177 I178 | G123-D136 CarbonylContact C-O 3.5Å; G123-D136 WeakPolarHBondContact CA-O 3.36Å; G123-L177 WeakPolarHBondContact O-CA 3.47Å; G123-I178 PolarHBondContact N-O 3.22Å; G123-I178 PolarHBondContact O-N 3.47Å |
| 124 | R | 97 | Very high | 95.6 | Very high | 85 Ų | 85 | 53 Ų | 53 | 32% | 0.321 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 131.3 | 172.4 | -173.2 | 178.8 | -64.8 | -88.9 | 7.1 | 109.7 | V126 V135 D136 G175 D176 L177 | R124-V126 PolarHBondContact O-N 3.11Å; R124-V135 CarbonylContact O-C 3.58Å; R124-V135 WeakPolarHBondContact O-CA 3.36Å; R124-D136 PolarHBondContact N-O 2.97Å; R124-D136 PolarHBondContact O-N 2.82Å; R124-G175 PolarHBondContact NH1-O 2.9Å; R124-D176 CarbonylContact C-O 3.53Å; R124-D176 WeakPolarHBondContact CA-O 3.42Å; R124-L177 HydrophobicContact CB-CD2 3.92Å; R124-L177 HydrophobicContact CG-CD2 4.18Å |
| 125 | I | 97.1 | Very high | 95.9 | Very high | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 126 | 173.2 | -54.2 | -54.2 | 0 | 0 | 0 | 108.7 | W133 V135 M172 K173 G175 D176 I178 | I125-W133 HydrophobicContact CD1-CB 4.15Å; I125-W133 HydrophobicContact CG2-CB 4.48Å; I125-V135 HydrophobicContact CD1-CG2 3.76Å; I125-M172 HydrophobicContact CG1-CB 4.36Å; I125-K173 WeakPolarHBondContact CB-O 3.32Å; I125-G175 PolarHBondContact O-N 3.45Å; I125-D176 HydrophobicContact CG1-CB 4.17Å; I125-D176 PolarHBondContact N-O 3.31Å; I125-I178 HydrophobicContact CD1-CD1 3.89Å; I125-I178 HydrophobicContact CD1-CG1 4.24Å; I125-I178 HydrophobicContact CD1-CG2 4.08Å; I125-I178 HydrophobicContact CG1-CG2 4.31Å |
| 126 | V | 97.7 | Very high | 96.1 | Very high | 67 Ų | 67 | 49.1 Ų | 49.1 | 41% | 0.406 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | -49.5 | 178.4 | 177.7 | 0 | 0 | 0 | 0 | 110.2 | R124 R134 D136 L142 E174 | R124-V126 PolarHBondContact O-N 3.11Å; V126-R134 PolarHBondContact N-O 3.3Å; V126-D136 HydrophobicContact CG2-CB 3.69Å; V126-L142 HydrophobicContact CB-CD1 4.43Å; V126-L142 HydrophobicContact CG1-CD1 4.29Å; V126-L142 HydrophobicContact CG2-CD2 3.96Å; V126-E174 WeakPolarHBondContact O-CG 3.45Å |
| 127 | E | 96.3 | Very high | 96.2 | Very high | 77 Ų | 77 | 45.8 Ų | 45.8 | 36% | 0.36 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 150.7 | -178.1 | 55.8 | -177.3 | 169.8 | 0 | 0 | 110.8 | E129 R134 | E127-E129 HydrophobicContact CG-CG 4.41Å; E127-R134 HydrophobicContact CG-CB 3.5Å; E127-R134 HydrophobicContact CG-CG 3.55Å; E127-R134 PolarHBondContact O-N 2.96Å; E127-R134 WeakPolarHBondContact OE1-CG 3.29Å; E127-R134 IonicContact OE1-NH1 3.01Å |
| 128 | V | 95.6 | Very high | 96.2 | Very high | 29 Ų | 29 | 42.6 Ų | 42.6 | 18% | 0.176 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 110.2 | 172.2 | -169.4 | 0 | 0 | 0 | 0 | 107.7 | M168 E174 | V128-M168 HydrophobicContact CG1-CB 3.88Å; V128-M168 HydrophobicContact CG1-CE 4.2Å; V128-E174 HydrophobicContact CG2-CG 4.42Å |
| 129 | E | 94.4 | Very high | 96.2 | Very high | 53 Ų | 53 | 40.9 Ų | 40.9 | 25% | 0.248 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 178.9 | 176 | -65.3 | -175.4 | -153.3 | 0 | 0 | 110.8 | E127 R131 R132 R134 | E127-E129 HydrophobicContact CG-CG 4.41Å; E129-R131 PolarHBondContact O-N 3.46Å; E129-R131 VanDerWaalsContact O-N 3.14Å; E129-R132 CarbonylContact C-O 3.57Å; E129-R132 WeakPolarHBondContact CA-O 3.43Å; E129-R132 HydrophobicContact CB-CG 3.94Å; E129-R132 PolarHBondContact N-O 2.93Å; E129-R132 VanDerWaalsContact O-O 3.11Å; E129-R132 IonicContact OE1-NE 2.67Å; E129-R132 IonicContact OE1-NH2 3.7Å; E129-R132 IonicContact OE2-CZ 2.97Å; E129-R132 IonicContact OE2-NE 3.89Å; E129-R132 PolarHBondContact OE2-NE 3.37Å; E129-R132 IonicContact OE2-NH2 3.78Å; E129-R132 PolarHBondContact OE2-NH2 3.47Å; E129-R134 HydrophobicContact CG-CG 4.17Å; E129-R134 WeakPolarHBondContact OE1-CD 3.36Å; E129-R134 WeakPolarHBondContact OE1-CG 3.39Å; E129-R134 IonicContact OE1-CZ 3.08Å; E129-R134 IonicContact OE1-NH1 3.37Å; E129-R134 PolarHBondContact OE1-NH1 2.87Å |
| 130 | Q | 91.8 | Very high | 96.1 | Very high | 149 Ų | 149 | 43.7 Ų | 43.7 | 70% | 0.696 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 116.5 | 173.1 | -163.3 | 175.8 | 11.4 | 0 | 0 | 110.6 | R132 E165 | Q130-R132 PolarHBondContact O-N 3.44Å; Q130-R132 VanDerWaalsContact O-N 3.09Å; Q130-E165 WeakPolarHBondContact CG-OE1 3.44Å; Q130-E165 PolarHBondContact NE2-OE1 3.12Å |
| 131 | R | 92.9 | Very high | 96.1 | Very high | 145 Ų | 145 | 47 Ų | 47 | 55% | 0.547 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 7.8 | 177.9 | -58.2 | 172.5 | 177.7 | -173.8 | -1.5 | 116.2 | E129 L147 E165 M168 | E129-R131 PolarHBondContact O-N 3.46Å; E129-R131 VanDerWaalsContact O-N 3.14Å; R131-L147 VanDerWaalsContact O-CB 3.3Å; R131-L147 WeakPolarHBondContact O-CB 3.44Å; R131-L147 PolarHBondContact O-N 3.16Å; R131-E165 VanDerWaalsContact CG-CD 3.41Å; R131-E165 HydrophobicContact CG-CG 3.83Å; R131-E165 WeakPolarHBondContact CG-OE2 3.17Å; R131-E165 IonicContact CZ-OE2 3.39Å; R131-E165 IonicContact NE-OE1 2.72Å; R131-E165 IonicContact NE-OE2 2.8Å; R131-E165 PolarHBondContact NE-OE2 2.87Å; R131-E165 IonicContact NH2-OE2 3.22Å; R131-E165 PolarHBondContact NH2-OE2 3.37Å; R131-M168 VanDerWaalsContact CA-SD 3.57Å |
| 132 | R | 95.5 | Very high | 96.1 | Very high | 87 Ų | 87 | 49.3 Ų | 49.3 | 33% | 0.328 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 153.6 | 174.6 | 66.3 | -176.6 | -178.8 | -179.9 | 1 | 113.1 | E129 Q130 L145 | E129-R132 CarbonylContact C-O 3.57Å; E129-R132 WeakPolarHBondContact CA-O 3.43Å; E129-R132 HydrophobicContact CB-CG 3.94Å; E129-R132 PolarHBondContact N-O 2.93Å; E129-R132 VanDerWaalsContact O-O 3.11Å; E129-R132 IonicContact OE1-NE 2.67Å; E129-R132 IonicContact OE1-NH2 3.7Å; E129-R132 IonicContact OE2-CZ 2.97Å; E129-R132 IonicContact OE2-NE 3.89Å; E129-R132 PolarHBondContact OE2-NE 3.37Å; E129-R132 IonicContact OE2-NH2 3.78Å; E129-R132 PolarHBondContact OE2-NH2 3.47Å; Q130-R132 PolarHBondContact O-N 3.44Å; Q130-R132 VanDerWaalsContact O-N 3.09Å; R132-L145 CarbonylContact C-O 3.54Å; R132-L145 VanDerWaalsContact CA-O 3.3Å; R132-L145 WeakPolarHBondContact CA-O 3.38Å |
| 133 | W | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 141.7 | 165.4 | -61 | -93.8 | 0 | 0 | 0 | 109.8 | I125 L145 L147 V150 M168 F171 M172 | I125-W133 HydrophobicContact CD1-CB 4.15Å; I125-W133 HydrophobicContact CG2-CB 4.48Å; W133-L145 HydrophobicContact CB-CB 4.28Å; W133-L145 HydrophobicContact CB-CD2 4.48Å; W133-L145 HydrophobicContact CD2-CD2 4.49Å; W133-L145 HydrophobicContact CE3-CD2 3.92Å; W133-L145 HydrophobicContact CE3-CG 4.02Å; W133-L145 PolarHBondContact N-O 3.2Å; W133-L145 PolarHBondContact O-N 3.28Å; W133-L147 HydrophobicContact CH2-CD1 3.55Å; W133-L147 HydrophobicContact CZ3-CB 4.39Å; W133-L147 HydrophobicContact CZ3-CD1 3.95Å; W133-V150 HydrophobicContact CE3-CG2 4.25Å; W133-V150 HydrophobicContact CH2-CG2 4.46Å; W133-V150 HydrophobicContact CZ3-CB 4.25Å; W133-V150 HydrophobicContact CZ3-CG2 3.64Å; W133-M168 HydrophobicContact CD2-CE 3.5Å; W133-M168 VanDerWaalsContact CD2-CE 3.5Å; W133-M168 VanDerWaalsContact CE2-CE 3.42Å; W133-M168 HydrophobicContact CE3-CE 3.68Å; W133-M168 HydrophobicContact CG-CE 4.2Å; W133-M168 HydrophobicContact CH2-CE 3.76Å; W133-M168 HydrophobicContact CH2-CG 4.31Å; W133-M168 HydrophobicContact CZ2-CB 3.82Å; W133-M168 HydrophobicContact CZ2-CE 3.57Å; W133-M168 HydrophobicContact CZ2-CG 3.99Å; W133-M168 WeakPolarHBondContact CZ2-O 3.33Å; W133-M168 HydrophobicContact CZ3-CE 3.81Å; W133-F171 HydrophobicContact CZ2-CB 4.49Å; W133-M172 HydrophobicContact CD2-CE 3.7Å; W133-M172 HydrophobicContact CE3-CE 3.71Å; W133-M172 HydrophobicContact CG-CE 4.42Å; W133-M172 HydrophobicContact CH2-CE 3.63Å; W133-M172 HydrophobicContact CZ2-CE 3.61Å; W133-M172 HydrophobicContact CZ3-CE 3.68Å; W133-M172 PolarHBondContact NE1-O 2.94Å; W133-M172 VanDerWaalsContact NE1-O 3.08Å |
| 134 | R | 97.8 | Very high | 96.2 | Very high | 48 Ų | 48 | 50.1 Ų | 50.1 | 18% | 0.181 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 133 | 168.3 | -56.9 | -65.6 | -64.8 | -83 | 4.2 | 109.4 | V126 E127 E129 L142 A143 N144 | V126-R134 PolarHBondContact N-O 3.3Å; E127-R134 HydrophobicContact CG-CB 3.5Å; E127-R134 HydrophobicContact CG-CG 3.55Å; E127-R134 PolarHBondContact O-N 2.96Å; E127-R134 WeakPolarHBondContact OE1-CG 3.29Å; E127-R134 IonicContact OE1-NH1 3.01Å; E129-R134 HydrophobicContact CG-CG 4.17Å; E129-R134 WeakPolarHBondContact OE1-CD 3.36Å; E129-R134 WeakPolarHBondContact OE1-CG 3.39Å; E129-R134 IonicContact OE1-CZ 3.08Å; E129-R134 IonicContact OE1-NH1 3.37Å; E129-R134 PolarHBondContact OE1-NH1 2.87Å; R134-L142 HydrophobicContact CB-CB 4.45Å; R134-L142 HydrophobicContact CB-CD1 4.25Å; R134-A143 WeakPolarHBondContact CA-O 3.26Å; R134-N144 WeakPolarHBondContact CD-OD1 3.49Å; R134-N144 PolarHBondContact NE-OD1 3.36Å |
| 135 | V | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 125.3 | -169.3 | -169 | 0 | 0 | 0 | 0 | 109.8 | R124 I125 V137 A143 L145 I178 L193 | R124-V135 CarbonylContact O-C 3.58Å; R124-V135 WeakPolarHBondContact O-CA 3.36Å; I125-V135 HydrophobicContact CD1-CG2 3.76Å; V135-V137 HydrophobicContact CB-CG1 4.38Å; V135-V137 HydrophobicContact CG1-CG1 3.87Å; V135-V137 PolarHBondContact O-N 2.86Å; V135-A143 HydrophobicContact CB-CB 4.47Å; V135-A143 PolarHBondContact N-O 3.26Å; V135-A143 PolarHBondContact O-N 2.79Å; V135-L145 HydrophobicContact CG2-CB 3.97Å; V135-I178 HydrophobicContact CG1-CD1 3.89Å; V135-I178 HydrophobicContact CG1-CG1 4.15Å; V135-I178 HydrophobicContact CG2-CD1 3.99Å; V135-L193 HydrophobicContact CB-CD1 3.97Å; V135-L193 HydrophobicContact CG1-CD1 4.17Å; V135-L193 HydrophobicContact CG2-CD1 4.07Å |
| 136 | D | 97.9 | Very high | 96.1 | Very high | 36 Ų | 36 | 47 Ų | 47 | 19% | 0.193 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 115.7 | 167.1 | 172 | 30.3 | 0 | 0 | 0 | 109.3 | G123 R124 V126 N138 L142 R210 Y256 | G123-D136 CarbonylContact C-O 3.5Å; G123-D136 WeakPolarHBondContact CA-O 3.36Å; R124-D136 PolarHBondContact N-O 2.97Å; R124-D136 PolarHBondContact O-N 2.82Å; V126-D136 HydrophobicContact CG2-CB 3.69Å; D136-N138 PolarHBondContact OD1-N 3.15Å; D136-L142 HydrophobicContact CB-CD2 4.06Å; D136-R210 IonicContact OD2-NH2 2.6Å; D136-Y256 PolarHBondContact OD1-OH 2.88Å; D136-Y256 PolarHBondContact OD2-OH 3.19Å |
| 137 | V | 97.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | trans | -123.2 | 23.2 | 177.7 | -62.7 | 0 | 0 | 0 | 0 | 112 | V121 V135 S139 A143 L191 L193 N254 | V121-V137 HydrophobicContact CG2-CG1 4.3Å; V135-V137 HydrophobicContact CB-CG1 4.38Å; V135-V137 HydrophobicContact CG1-CG1 3.87Å; V135-V137 PolarHBondContact O-N 2.86Å; V137-S139 PolarHBondContact O-N 2.83Å; V137-S139 VanDerWaalsContact O-N 3.17Å; V137-A143 HydrophobicContact CG1-CB 4.15Å; V137-A143 HydrophobicContact CG2-CB 3.74Å; V137-L191 HydrophobicContact CG2-CD1 3.98Å; V137-L193 HydrophobicContact CG1-CD1 4.05Å; V137-N254 VanDerWaalsContact C-ND2 3.31Å; V137-N254 WeakPolarHBondContact CA-ND2 3.37Å; V137-N254 WeakPolarHBondContact O-CB 3.39Å; V137-N254 PolarHBondContact O-ND2 3.32Å | ||
| 138 | N | 96.1 | Very high | 95.6 | Very high | 36 Ų | 36 | 44.1 Ų | 44.1 | 19% | 0.193 | 23% | 0.233 | C | C | . | . | S | Bend | trans | 60.4 | 22.3 | -179.1 | -163.2 | 31.1 | 0 | 0 | 0 | 114.8 | Y113 D136 N254 Y256 | Y113-N138 WeakPolarHBondContact CB-O 3.46Å; Y113-N138 PolarHBondContact N-O 2.88Å; D136-N138 PolarHBondContact OD1-N 3.15Å; N138-N254 PolarHBondContact ND2-O 2.95Å; N138-Y256 HydrophobicContact CB-CD1 4.15Å; N138-Y256 HydrophobicContact CB-CE1 3.63Å; N138-Y256 HydrophobicContact CB-CE2 4.4Å |
| 139 | S | 94.8 | Very high | 95.4 | Very high | 13 Ų | 13 | 44.9 Ų | 44.9 | 9% | 0.091 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -84.9 | -179.8 | 171.1 | -178.8 | 0 | 0 | 0 | 0 | 110.5 | R112 Y113 V137 L141 | R112-S139 PolarHBondContact NH1-O 2.73Å; Y113-S139 WeakPolarHBondContact O-CA 3.41Å; Y113-S139 PolarHBondContact O-OG 3.01Å; V137-S139 PolarHBondContact O-N 2.83Å; V137-S139 VanDerWaalsContact O-N 3.17Å; S139-L141 VanDerWaalsContact C-N 3.29Å; S139-L141 WeakPolarHBondContact CB-O 3.49Å |
| 140 | A | 93.8 | Very high | 95.2 | Very high | 76 Ų | 76 | 42.4 Ų | 42.4 | 63% | 0.628 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -67 | -32.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 141 | L | 96 | Very high | 95 | Very high | 81 Ų | 81 | 38.9 Ų | 38.9 | 42% | 0.424 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -123 | 155.8 | -178.7 | -59.3 | 175.7 | 0 | 0 | 0 | 110.8 | S139 T190 | S139-L141 VanDerWaalsContact C-N 3.29Å; S139-L141 WeakPolarHBondContact CB-O 3.49Å; L141-T190 WeakPolarHBondContact CD1-OG1 3.39Å |
| 142 | L | 97.5 | Very high | 94.5 | Very high | 50 Ų | 50 | 32.6 Ų | 32.6 | 26% | 0.262 | 19% | 0.185 | S | C | . | . | P | Polyproline II helix | trans | -68.3 | 132.2 | 170.8 | -64.5 | 178.2 | 0 | 0 | 0 | 109.9 | V126 R134 D136 | V126-L142 HydrophobicContact CB-CD1 4.43Å; V126-L142 HydrophobicContact CG1-CD1 4.29Å; V126-L142 HydrophobicContact CG2-CD2 3.96Å; R134-L142 HydrophobicContact CB-CB 4.45Å; R134-L142 HydrophobicContact CB-CD1 4.25Å; D136-L142 HydrophobicContact CB-CD2 4.06Å |
| 143 | A | 98 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 154.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | R134 V135 V137 L191 L193 | R134-A143 WeakPolarHBondContact CA-O 3.26Å; V135-A143 HydrophobicContact CB-CB 4.47Å; V135-A143 PolarHBondContact N-O 3.26Å; V135-A143 PolarHBondContact O-N 2.79Å; V137-A143 HydrophobicContact CG1-CB 4.15Å; V137-A143 HydrophobicContact CG2-CB 3.74Å; A143-L191 CarbonylContact C-O 3.45Å; A143-L191 WeakPolarHBondContact CA-O 3.46Å; A143-L191 HydrophobicContact CB-CB 3.96Å; A143-L191 WeakPolarHBondContact CB-O 3.35Å; A143-L193 HydrophobicContact CB-CD1 3.79Å; A143-L193 HydrophobicContact CB-CD2 4.31Å; A143-L193 HydrophobicContact CB-CG 3.89Å |
| 144 | N | 97.7 | Very high | 92.2 | Very high | 18 Ų | 18 | 34.2 Ų | 34.2 | 10% | 0.096 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 127.2 | 179 | -69.4 | -22.6 | 0 | 0 | 0 | 109.7 | R134 L191 Q192 L193 | R134-N144 WeakPolarHBondContact CD-OD1 3.49Å; R134-N144 PolarHBondContact NE-OD1 3.36Å; N144-L191 PolarHBondContact N-O 2.93Å; N144-Q192 PolarHBondContact O-OE1 2.88Å; N144-L193 PolarHBondContact O-N 3.5Å |
| 145 | L | 97 | Very high | 90.6 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 98.4 | 168.8 | 178.5 | 68.5 | 0 | 0 | 0 | 108.1 | R132 W133 V135 V150 M172 I178 L193 M195 | R132-L145 CarbonylContact C-O 3.54Å; R132-L145 VanDerWaalsContact CA-O 3.3Å; R132-L145 WeakPolarHBondContact CA-O 3.38Å; W133-L145 HydrophobicContact CB-CB 4.28Å; W133-L145 HydrophobicContact CB-CD2 4.48Å; W133-L145 HydrophobicContact CD2-CD2 4.49Å; W133-L145 HydrophobicContact CE3-CD2 3.92Å; W133-L145 HydrophobicContact CE3-CG 4.02Å; W133-L145 PolarHBondContact N-O 3.2Å; W133-L145 PolarHBondContact O-N 3.28Å; V135-L145 HydrophobicContact CG2-CB 3.97Å; L145-V150 HydrophobicContact CD1-CG2 3.73Å; L145-V150 HydrophobicContact CD2-CG2 3.83Å; L145-V150 HydrophobicContact CG-CG2 3.71Å; L145-M172 HydrophobicContact CD2-CE 3.87Å; L145-I178 HydrophobicContact CD2-CD1 3.93Å; L145-L193 HydrophobicContact CB-CB 4.33Å; L145-L193 HydrophobicContact CD1-CB 3.86Å; L145-M195 HydrophobicContact CD1-CG 4Å; L145-M195 HydrophobicContact CD1-SD 3.95Å; L145-M195 HydrophobicContact CD2-SD 3.43Å; L145-M195 WeakPolarHBondContact CD2-SD 3.41Å; L145-M195 HydrophobicContact CG-SD 4.33Å |
| 146 | A | 95.3 | Very high | 88.8 | Confident | 22 Ų | 22 | 41.2 Ų | 41.2 | 18% | 0.182 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 143.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A148 N149 Q192 | A146-A148 HydrophobicContact CB-CB 4.46Å; A146-A148 PolarHBondContact O-N 3.41Å; A146-A148 VanDerWaalsContact O-N 3.16Å; A146-N149 PolarHBondContact O-N 2.87Å; A146-Q192 VanDerWaalsContact CB-NE2 3.35Å |
| 147 | L | 92.3 | Very high | 87.4 | Confident | 10 Ų | 10 | 48.1 Ų | 48.1 | 5% | 0.052 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53 | -37.8 | 172.2 | -179 | 60.6 | 0 | 0 | 0 | 110.7 | R131 W133 N149 V150 L152 K160 D164 E165 M168 | R131-L147 VanDerWaalsContact O-CB 3.3Å; R131-L147 WeakPolarHBondContact O-CB 3.44Å; R131-L147 PolarHBondContact O-N 3.16Å; W133-L147 HydrophobicContact CH2-CD1 3.55Å; W133-L147 HydrophobicContact CZ3-CB 4.39Å; W133-L147 HydrophobicContact CZ3-CD1 3.95Å; L147-N149 PolarHBondContact O-N 2.95Å; L147-V150 PolarHBondContact O-N 2.96Å; L147-L152 HydrophobicContact CD1-CD1 4.28Å; L147-L152 HydrophobicContact CD1-CD2 4.18Å; L147-K160 HydrophobicContact CG-CD 4.29Å; L147-K160 WeakPolarHBondContact O-CD 3.27Å; L147-K160 VanDerWaalsContact O-CE 3.25Å; L147-K160 WeakPolarHBondContact O-CE 3.43Å; L147-K160 PolarHBondContact O-NZ 2.96Å; L147-D164 HydrophobicContact CD2-CB 4.1Å; L147-E165 HydrophobicContact CD2-CB 4.42Å; L147-M168 HydrophobicContact CB-CE 4.34Å; L147-M168 HydrophobicContact CB-SD 4.26Å; L147-M168 HydrophobicContact CD1-CG 4.12Å; L147-M168 HydrophobicContact CD1-SD 4.47Å; L147-M168 HydrophobicContact CD2-CG 4.2Å; L147-M168 HydrophobicContact CD2-SD 4.06Å; L147-M168 HydrophobicContact CG-SD 4.49Å |
| 148 | A | 90.6 | Very high | 86.4 | Confident | 72 Ų | 72 | 53 Ų | 53 | 60% | 0.595 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.9 | -25.4 | 175 | 0 | 0 | 0 | 0 | 0 | 114.7 | A146 K160 | A146-A148 HydrophobicContact CB-CB 4.46Å; A146-A148 PolarHBondContact O-N 3.41Å; A146-A148 VanDerWaalsContact O-N 3.16Å; A148-K160 VanDerWaalsContact CA-NZ 3.32Å; A148-K160 PolarHBondContact O-NZ 3.47Å |
| 149 | N | 91.7 | Very high | 85.7 | Confident | 45 Ų | 45 | 62.6 Ų | 62.6 | 24% | 0.241 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 4.2 | -175 | -67.5 | 2.7 | 0 | 0 | 0 | 113.9 | A146 L147 Q192 L193 H194 M195 | A146-N149 PolarHBondContact O-N 2.87Å; L147-N149 PolarHBondContact O-N 2.95Å; N149-Q192 PolarHBondContact ND2-NE2 2.92Å; N149-Q192 VanDerWaalsContact ND2-NE2 3.13Å; N149-L193 PolarHBondContact ND2-O 3.41Å; N149-L193 VanDerWaalsContact ND2-O 3.1Å; N149-H194 HydrophobicContact CB-CB 3.88Å; N149-M195 PolarHBondContact O-N 3Å |
| 150 | V | 90.5 | Very high | 85.1 | Confident | 2 Ų | 2 | 65.8 Ų | 65.8 | 1% | 0.012 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 133.5 | 179.3 | -178.6 | 0 | 0 | 0 | 0 | 110.9 | W133 L145 L147 L152 K160 M172 M195 L271 | W133-V150 HydrophobicContact CE3-CG2 4.25Å; W133-V150 HydrophobicContact CH2-CG2 4.46Å; W133-V150 HydrophobicContact CZ3-CB 4.25Å; W133-V150 HydrophobicContact CZ3-CG2 3.64Å; L145-V150 HydrophobicContact CD1-CG2 3.73Å; L145-V150 HydrophobicContact CD2-CG2 3.83Å; L145-V150 HydrophobicContact CG-CG2 3.71Å; L147-V150 PolarHBondContact O-N 2.96Å; V150-L152 HydrophobicContact CG1-CD2 4.31Å; V150-L152 PolarHBondContact O-N 3.5Å; V150-K160 WeakPolarHBondContact O-CE 3.48Å; V150-K160 PolarHBondContact O-NZ 3.03Å; V150-M172 HydrophobicContact CG1-CE 4.36Å; V150-M172 HydrophobicContact CG2-CE 4.32Å; V150-M195 HydrophobicContact CG1-CB 4.49Å; V150-M195 HydrophobicContact CG2-CB 4.37Å; V150-M195 HydrophobicContact CG2-SD 4.4Å; V150-L271 HydrophobicContact CG1-CD1 3.65Å; V150-L271 HydrophobicContact CG1-CD2 3.91Å; V150-L271 HydrophobicContact CG1-CG 4.33Å |
| 151 | K | 86.9 | Confident | 84.6 | Confident | 74 Ų | 74 | 64.5 Ų | 64.5 | 32% | 0.322 | 35% | 0.354 | S | S | . | . | trans | -78.8 | 107.1 | 168.9 | -176.8 | 172.4 | 166.3 | 176.4 | 0 | 109.6 | E156 M195 P196 | K151-E156 HydrophobicContact CD-CG 3.9Å; K151-E156 WeakPolarHBondContact CE-OE1 3.35Å; K151-E156 HydrophobicContact CG-CG 4.36Å; K151-E156 IonicContact NZ-OE1 2.7Å; K151-E156 PolarHBondContact NZ-OE1 3.11Å; K151-E156 IonicContact NZ-OE2 2.8Å; K151-M195 PolarHBondContact N-O 3.3Å; K151-P196 WeakPolarHBondContact CD-O 3.33Å | ||
| 152 | L | 83.5 | Confident | 84.2 | Confident | 14 Ų | 14 | 66.4 Ų | 66.4 | 7% | 0.073 | 36% | 0.361 | C | S | . | . | trans | -76.9 | 148.6 | 178.5 | -61.4 | 179.2 | 0 | 0 | 0 | 110.6 | L147 V150 K160 D164 F171 L271 | L147-L152 HydrophobicContact CD1-CD1 4.28Å; L147-L152 HydrophobicContact CD1-CD2 4.18Å; V150-L152 HydrophobicContact CG1-CD2 4.31Å; V150-L152 PolarHBondContact O-N 3.5Å; L152-K160 HydrophobicContact CD1-CG 4.33Å; L152-D164 HydrophobicContact CD1-CB 3.94Å; L152-F171 HydrophobicContact CD1-CE2 4.27Å; L152-F171 HydrophobicContact CD1-CZ 4.47Å; L152-F171 HydrophobicContact CD2-CD2 3.83Å; L152-F171 HydrophobicContact CD2-CE1 4.49Å; L152-F171 HydrophobicContact CD2-CE2 3.8Å; L152-F171 HydrophobicContact CD2-CG 4.21Å; L152-F171 HydrophobicContact CD2-CZ 4.14Å; L152-L271 HydrophobicContact CD2-CD1 3.68Å | ||
| 153 | P | 75.7 | Confident | 83.7 | Confident | 47 Ų | 47 | 69 Ų | 69 | 31% | 0.305 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 137.2 | 169.8 | 27.8 | -33.5 | 0 | 0 | 0 | 109.7 | F171 | P153-F171 HydrophobicContact CG-CD1 4.04Å; P153-F171 HydrophobicContact CG-CE1 3.67Å |
| 154 | G | 68 | Low | 83.2 | Confident | 73 Ų | 73 | 69.4 Ų | 69.4 | 75% | 0.753 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 118.5 | 9.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 155 | G | 63.9 | Low | 82.7 | Confident | 49 Ų | 49 | 70.5 Ų | 70.5 | 51% | 0.505 | 38% | 0.382 | S | S | . | . | trans | 107.4 | 139.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L157 | G155-L157 VanDerWaalsContact C-N 3.32Å; G155-L157 PolarHBondContact O-N 3.01Å | ||
| 156 | E | 59.4 | Low | 82.3 | Confident | 146 Ų | 146 | 78.5 Ų | 78.5 | 68% | 0.682 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -12.5 | -165.6 | -76.5 | 176.9 | 134.3 | 0 | 0 | 116 | K151 | K151-E156 HydrophobicContact CD-CG 3.9Å; K151-E156 WeakPolarHBondContact CE-OE1 3.35Å; K151-E156 HydrophobicContact CG-CG 4.36Å; K151-E156 IonicContact NZ-OE1 2.7Å; K151-E156 PolarHBondContact NZ-OE1 3.11Å; K151-E156 IonicContact NZ-OE2 2.8Å |
| 157 | L | 68.7 | Low | 82 | Confident | 181 Ų | 181 | 79 Ų | 79 | 95% | 0.948 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.9 | 23 | -164.7 | -145.8 | 76.1 | 0 | 0 | 0 | 115.3 | G155 | G155-L157 VanDerWaalsContact C-N 3.32Å; G155-L157 PolarHBondContact O-N 3.01Å |
| 158 | R | 77.9 | Confident | 81.8 | Confident | 104 Ų | 104 | 78.7 Ų | 78.7 | 39% | 0.392 | 41% | 0.414 | S | S | . | . | trans | -106.4 | 143.5 | 174.6 | 72.4 | -177.6 | -173.6 | 83.4 | -2.5 | 112.1 | D164 | R158-D164 IonicContact CZ-OD1 3.39Å; R158-D164 IonicContact CZ-OD2 3.81Å; R158-D164 VanDerWaalsContact NH1-CG 3.33Å; R158-D164 IonicContact NH1-OD1 2.68Å; R158-D164 PolarHBondContact NH1-OD1 3.04Å; R158-D164 IonicContact NH1-OD2 2.61Å; R158-D164 PolarHBondContact NH1-OD2 3.17Å; R158-D164 IonicContact NH2-OD1 3.67Å; R158-D164 PolarHBondContact NH2-OD1 2.72Å; R158-D164 IonicContact NH2-OD2 3.88Å; R158-D164 PolarHBondContact NH2-OD2 3.32Å | ||
| 159 | R | 80.9 | Confident | 81.9 | Confident | 238 Ų | 238 | 82.6 Ų | 82.6 | 90% | 0.898 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 142.8 | 165.3 | -69.2 | -177.5 | -178.2 | 150.6 | 0.8 | 108.8 | S161 | R159-S161 PolarHBondContact O-N 2.82Š|
| 160 | K | 82.4 | Confident | 81.7 | Confident | 79 Ų | 79 | 84.9 Ų | 84.9 | 34% | 0.343 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 124.6 | 176.6 | -73 | 158.5 | -179.8 | 177.5 | 0 | 108.9 | L147 A148 V150 L152 D164 | L147-K160 HydrophobicContact CG-CD 4.29Å; L147-K160 WeakPolarHBondContact O-CD 3.27Å; L147-K160 VanDerWaalsContact O-CE 3.25Å; L147-K160 WeakPolarHBondContact O-CE 3.43Å; L147-K160 PolarHBondContact O-NZ 2.96Å; A148-K160 VanDerWaalsContact CA-NZ 3.32Å; A148-K160 PolarHBondContact O-NZ 3.47Å; V150-K160 WeakPolarHBondContact O-CE 3.48Å; V150-K160 PolarHBondContact O-NZ 3.03Å; L152-K160 HydrophobicContact CD1-CG 4.33Å; K160-D164 VanDerWaalsContact CA-OD2 3.29Å; K160-D164 WeakPolarHBondContact CA-OD2 3.25Å |
| 161 | S | 83.2 | Confident | 81.6 | Confident | 50 Ų | 50 | 86.4 Ų | 86.4 | 35% | 0.35 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -94.8 | 169.3 | -176.2 | 63.7 | 0 | 0 | 0 | 0 | 111.3 | R159 D163 D164 E165 | R159-S161 PolarHBondContact O-N 2.82Å; S161-D163 PolarHBondContact O-N 3.14Å; S161-D163 PolarHBondContact OG-N 3.11Å; S161-D164 PolarHBondContact N-OD2 3.44Å; S161-D164 WeakPolarHBondContact O-CB 3.47Å; S161-D164 PolarHBondContact O-N 2.93Å; S161-D164 VanDerWaalsContact O-N 3.16Å; S161-D164 PolarHBondContact OG-OD2 2.91Å; S161-E165 PolarHBondContact O-N 3.42Å |
| 162 | E | 87.2 | Confident | 81.8 | Confident | 121 Ų | 121 | 82.9 Ų | 82.9 | 57% | 0.565 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -61.7 | -27 | 170.5 | -63.5 | -176.1 | -179.8 | 0 | 0 | 112.6 | D164 E165 R166 | E162-D164 VanDerWaalsContact C-N 3.3Å; E162-D164 PolarHBondContact O-N 3.29Å; E162-E165 WeakPolarHBondContact O-CB 3.28Å; E162-E165 PolarHBondContact O-N 3.13Å; E162-R166 PolarHBondContact O-N 3Å; E162-R166 IonicContact OE2-CZ 3.49Å; E162-R166 IonicContact OE2-NH2 3.76Å; E162-R166 PolarHBondContact OE2-NH2 3.16Å |
| 163 | D | 87.1 | Confident | 82.2 | Confident | 103 Ų | 103 | 87.8 Ų | 87.8 | 55% | 0.551 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -66.6 | -34.6 | 175.6 | -62.9 | -35 | 0 | 0 | 0 | 111.5 | S161 E165 R166 A167 | S161-D163 PolarHBondContact O-N 3.14Å; S161-D163 PolarHBondContact OG-N 3.11Å; D163-E165 VanDerWaalsContact C-N 3.29Å; D163-E165 PolarHBondContact O-N 3.49Å; D163-R166 PolarHBondContact O-N 2.93Å; D163-R166 IonicContact OD1-NH1 2.7Å; D163-R166 PolarHBondContact OD1-NH1 3.13Å; D163-A167 VanDerWaalsContact O-CB 3.27Å; D163-A167 WeakPolarHBondContact O-CB 3.45Å; D163-A167 PolarHBondContact O-N 3.27Å |
| 164 | D | 86.9 | Confident | 83.1 | Confident | 10 Ų | 10 | 89.4 Ų | 89.4 | 5% | 0.053 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -65.4 | -35.9 | 172.9 | -60.4 | -43.8 | 0 | 0 | 0 | 111.8 | L147 L152 R158 K160 S161 E162 A167 M168 | L147-D164 HydrophobicContact CD2-CB 4.1Å; L152-D164 HydrophobicContact CD1-CB 3.94Å; R158-D164 IonicContact CZ-OD1 3.39Å; R158-D164 IonicContact CZ-OD2 3.81Å; R158-D164 VanDerWaalsContact NH1-CG 3.33Å; R158-D164 IonicContact NH1-OD1 2.68Å; R158-D164 PolarHBondContact NH1-OD1 3.04Å; R158-D164 IonicContact NH1-OD2 2.61Å; R158-D164 PolarHBondContact NH1-OD2 3.17Å; R158-D164 IonicContact NH2-OD1 3.67Å; R158-D164 PolarHBondContact NH2-OD1 2.72Å; R158-D164 IonicContact NH2-OD2 3.88Å; R158-D164 PolarHBondContact NH2-OD2 3.32Å; K160-D164 VanDerWaalsContact CA-OD2 3.29Å; K160-D164 WeakPolarHBondContact CA-OD2 3.25Å; S161-D164 PolarHBondContact N-OD2 3.44Å; S161-D164 WeakPolarHBondContact O-CB 3.47Å; S161-D164 PolarHBondContact O-N 2.93Å; S161-D164 VanDerWaalsContact O-N 3.16Å; S161-D164 PolarHBondContact OG-OD2 2.91Å; E162-D164 VanDerWaalsContact C-N 3.3Å; E162-D164 PolarHBondContact O-N 3.29Å; D164-A167 CarbonylContact O-C 3.51Å; D164-A167 PolarHBondContact O-N 2.9Å; D164-M168 VanDerWaalsContact O-CG 3.27Å; D164-M168 WeakPolarHBondContact O-CG 3.16Å; D164-M168 PolarHBondContact O-N 2.68Å |
| 165 | E | 88.1 | Confident | 84.4 | Confident | 41 Ų | 41 | 87.4 Ų | 87.4 | 19% | 0.192 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 175.7 | -170.5 | 179.2 | 154.3 | 0 | 0 | 110.7 | Q130 R131 L147 S161 E162 D163 A167 M168 | Q130-E165 WeakPolarHBondContact CG-OE1 3.44Å; Q130-E165 PolarHBondContact NE2-OE1 3.12Å; R131-E165 VanDerWaalsContact CG-CD 3.41Å; R131-E165 HydrophobicContact CG-CG 3.83Å; R131-E165 WeakPolarHBondContact CG-OE2 3.17Å; R131-E165 IonicContact CZ-OE2 3.39Å; R131-E165 IonicContact NE-OE1 2.72Å; R131-E165 IonicContact NE-OE2 2.8Å; R131-E165 PolarHBondContact NE-OE2 2.87Å; R131-E165 IonicContact NH2-OE2 3.22Å; R131-E165 PolarHBondContact NH2-OE2 3.37Å; L147-E165 HydrophobicContact CD2-CB 4.42Å; S161-E165 PolarHBondContact O-N 3.42Å; E162-E165 WeakPolarHBondContact O-CB 3.28Å; E162-E165 PolarHBondContact O-N 3.13Å; D163-E165 VanDerWaalsContact C-N 3.29Å; D163-E165 PolarHBondContact O-N 3.49Å; E165-A167 VanDerWaalsContact C-N 3.35Å; E165-M168 VanDerWaalsContact O-CG 3.32Å; E165-M168 WeakPolarHBondContact O-CG 3.27Å; E165-M168 PolarHBondContact O-N 3.08Å |
| 166 | R | 88.4 | Confident | 85.8 | Confident | 167 Ų | 167 | 86.1 Ų | 86.1 | 63% | 0.63 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -67.7 | -35.4 | 173.9 | -65 | 177.1 | -168.6 | 103.8 | 12.4 | 112.2 | E162 D163 M168 | E162-R166 PolarHBondContact O-N 3Å; E162-R166 IonicContact OE2-CZ 3.49Å; E162-R166 IonicContact OE2-NH2 3.76Å; E162-R166 PolarHBondContact OE2-NH2 3.16Å; D163-R166 PolarHBondContact O-N 2.93Å; D163-R166 IonicContact OD1-NH1 2.7Å; D163-R166 PolarHBondContact OD1-NH1 3.13Å; R166-M168 VanDerWaalsContact C-N 3.33Å; R166-M168 PolarHBondContact O-N 2.9Å |
| 167 | A | 87.9 | Confident | 87.4 | Confident | 33 Ų | 33 | 80.2 Ų | 80.2 | 27% | 0.273 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 1.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | D163 D164 E165 R169 S170 F171 | D163-A167 VanDerWaalsContact O-CB 3.27Å; D163-A167 WeakPolarHBondContact O-CB 3.45Å; D163-A167 PolarHBondContact O-N 3.27Å; D164-A167 CarbonylContact O-C 3.51Å; D164-A167 PolarHBondContact O-N 2.9Å; E165-A167 VanDerWaalsContact C-N 3.35Å; A167-R169 PolarHBondContact O-N 2.69Å; A167-R169 VanDerWaalsContact O-N 3.1Å; A167-S170 WeakPolarHBondContact O-CB 3.46Å; A167-S170 PolarHBondContact O-N 3.26Å; A167-S170 PolarHBondContact O-OG 3.08Å; A167-F171 HydrophobicContact CB-CE2 4Å; A167-F171 HydrophobicContact CB-CZ 4.47Å; A167-F171 WeakPolarHBondContact O-CD2 3.27Å; A167-F171 PolarHBondContact O-N 3.39Å |
| 168 | M | 90 | Very high | 88.6 | Confident | 3 Ų | 3 | 71.7 Ų | 71.7 | 2% | 0.015 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -52.5 | -40.9 | -175.6 | -75 | -173 | 63.1 | 0 | 0 | 113.8 | V128 R131 W133 L147 D164 E165 R166 S170 F171 M172 | V128-M168 HydrophobicContact CG1-CB 3.88Å; V128-M168 HydrophobicContact CG1-CE 4.2Å; R131-M168 VanDerWaalsContact CA-SD 3.57Å; W133-M168 HydrophobicContact CD2-CE 3.5Å; W133-M168 VanDerWaalsContact CD2-CE 3.5Å; W133-M168 VanDerWaalsContact CE2-CE 3.42Å; W133-M168 HydrophobicContact CE3-CE 3.68Å; W133-M168 HydrophobicContact CG-CE 4.2Å; W133-M168 HydrophobicContact CH2-CE 3.76Å; W133-M168 HydrophobicContact CH2-CG 4.31Å; W133-M168 HydrophobicContact CZ2-CB 3.82Å; W133-M168 HydrophobicContact CZ2-CE 3.57Å; W133-M168 HydrophobicContact CZ2-CG 3.99Å; W133-M168 WeakPolarHBondContact CZ2-O 3.33Å; W133-M168 HydrophobicContact CZ3-CE 3.81Å; L147-M168 HydrophobicContact CB-CE 4.34Å; L147-M168 HydrophobicContact CB-SD 4.26Å; L147-M168 HydrophobicContact CD1-CG 4.12Å; L147-M168 HydrophobicContact CD1-SD 4.47Å; L147-M168 HydrophobicContact CD2-CG 4.2Å; L147-M168 HydrophobicContact CD2-SD 4.06Å; L147-M168 HydrophobicContact CG-SD 4.49Å; D164-M168 VanDerWaalsContact O-CG 3.27Å; D164-M168 WeakPolarHBondContact O-CG 3.16Å; D164-M168 PolarHBondContact O-N 2.68Å; E165-M168 VanDerWaalsContact O-CG 3.32Å; E165-M168 WeakPolarHBondContact O-CG 3.27Å; E165-M168 PolarHBondContact O-N 3.08Å; R166-M168 VanDerWaalsContact C-N 3.33Å; R166-M168 PolarHBondContact O-N 2.9Å; M168-S170 VanDerWaalsContact C-N 3.28Å; M168-S170 PolarHBondContact O-N 2.6Å; M168-F171 PolarHBondContact O-N 2.97Å; M168-M172 PolarHBondContact O-N 3.39Å |
| 169 | R | 91.3 | Very high | 89.4 | Confident | 155 Ų | 155 | 66.7 Ų | 66.7 | 59% | 0.585 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -68.3 | -24 | 179.1 | -171.3 | 177.4 | -75.3 | 138.5 | -0.8 | 113.3 | A167 K173 E174 | A167-R169 PolarHBondContact O-N 2.69Å; A167-R169 VanDerWaalsContact O-N 3.1Å; R169-K173 HydrophobicContact CG-CB 4.17Å; R169-E174 IonicContact NE-OE1 3.87Å; R169-E174 IonicContact NE-OE2 2.7Å; R169-E174 IonicContact NH2-OE1 2.89Å |
| 170 | S | 87.9 | Confident | 90 | Very high | 93 Ų | 93 | 55.4 Ų | 55.4 | 65% | 0.65 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -75.2 | -31.8 | 177 | 74.7 | 0 | 0 | 0 | 0 | 112.1 | A167 M168 | A167-S170 WeakPolarHBondContact O-CB 3.46Å; A167-S170 PolarHBondContact O-N 3.26Å; A167-S170 PolarHBondContact O-OG 3.08Å; M168-S170 VanDerWaalsContact C-N 3.28Å; M168-S170 PolarHBondContact O-N 2.6Å |
| 171 | F | 87.9 | Confident | 90.7 | Very high | 33 Ų | 33 | 53.6 Ų | 53.6 | 15% | 0.145 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -74.4 | -51 | 175.5 | -60.7 | -57.9 | 0 | 0 | 0 | 112.1 | W133 L152 P153 A167 M168 L271 | W133-F171 HydrophobicContact CZ2-CB 4.49Å; L152-F171 HydrophobicContact CD1-CE2 4.27Å; L152-F171 HydrophobicContact CD1-CZ 4.47Å; L152-F171 HydrophobicContact CD2-CD2 3.83Å; L152-F171 HydrophobicContact CD2-CE1 4.49Å; L152-F171 HydrophobicContact CD2-CE2 3.8Å; L152-F171 HydrophobicContact CD2-CG 4.21Å; L152-F171 HydrophobicContact CD2-CZ 4.14Å; P153-F171 HydrophobicContact CG-CD1 4.04Å; P153-F171 HydrophobicContact CG-CE1 3.67Å; A167-F171 HydrophobicContact CB-CE2 4Å; A167-F171 HydrophobicContact CB-CZ 4.47Å; A167-F171 WeakPolarHBondContact O-CD2 3.27Å; A167-F171 PolarHBondContact O-N 3.39Å; M168-F171 PolarHBondContact O-N 2.97Å; F171-L271 HydrophobicContact CB-CB 4.21Å; F171-L271 HydrophobicContact CB-CD1 3.72Å; F171-L271 HydrophobicContact CD1-CB 4.41Å; F171-L271 HydrophobicContact CD1-CD1 4.04Å; F171-L271 HydrophobicContact CG-CD1 3.93Å |
| 172 | M | 90.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -145.3 | 124.2 | -179 | -65.3 | 177.9 | -67.2 | 0 | 0 | 109.4 | I125 W133 L145 V150 M168 D176 I178 M195 L271 | I125-M172 HydrophobicContact CG1-CB 4.36Å; W133-M172 HydrophobicContact CD2-CE 3.7Å; W133-M172 HydrophobicContact CE3-CE 3.71Å; W133-M172 HydrophobicContact CG-CE 4.42Å; W133-M172 HydrophobicContact CH2-CE 3.63Å; W133-M172 HydrophobicContact CZ2-CE 3.61Å; W133-M172 HydrophobicContact CZ3-CE 3.68Å; W133-M172 PolarHBondContact NE1-O 2.94Å; W133-M172 VanDerWaalsContact NE1-O 3.08Å; L145-M172 HydrophobicContact CD2-CE 3.87Å; V150-M172 HydrophobicContact CG1-CE 4.36Å; V150-M172 HydrophobicContact CG2-CE 4.32Å; M168-M172 PolarHBondContact O-N 3.39Å; M172-D176 WeakPolarHBondContact CA-OD2 3.25Å; M172-I178 HydrophobicContact SD-CG2 3.61Å; M172-M195 HydrophobicContact SD-CE 4.31Å; M172-M195 HydrophobicContact SD-SD 4.47Å; M172-L271 HydrophobicContact CE-CD2 4.4Å; M172-L271 HydrophobicContact SD-CD2 4.14Å |
| 173 | K | 91.9 | Very high | 91.8 | Very high | 118 Ų | 118 | 50.1 Ų | 50.1 | 51% | 0.513 | 25% | 0.248 | S | C | . | . | trans | -109.2 | 167.4 | 177.9 | 63.3 | 179.9 | 178.9 | -173.8 | 0 | 111.1 | I125 R169 G175 D176 | I125-K173 WeakPolarHBondContact CB-O 3.32Å; R169-K173 HydrophobicContact CG-CB 4.17Å; K173-G175 PolarHBondContact O-N 3.3Å; K173-D176 WeakPolarHBondContact CG-OD2 3.49Å; K173-D176 PolarHBondContact N-OD2 2.9Å; K173-D176 VanDerWaalsContact O-CB 3.3Å; K173-D176 WeakPolarHBondContact O-CB 3.46Å; K173-D176 PolarHBondContact O-N 3.09Å; K173-D176 VanDerWaalsContact O-N 3.1Å | ||
| 174 | E | 95.4 | Very high | 92.2 | Very high | 80 Ų | 80 | 49.4 Ų | 49.4 | 37% | 0.374 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 131.7 | 175.4 | -55.7 | 85.4 | 170.8 | 0 | 0 | 110.2 | V126 V128 R169 | V126-E174 WeakPolarHBondContact O-CG 3.45Å; V128-E174 HydrophobicContact CG2-CG 4.42Å; R169-E174 IonicContact NE-OE1 3.87Å; R169-E174 IonicContact NE-OE2 2.7Å; R169-E174 IonicContact NH2-OE1 2.89Å |
| 175 | G | 94.1 | Very high | 92.7 | Very high | 32 Ų | 32 | 51 Ų | 51 | 33% | 0.33 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.2 | -14.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | R124 I125 K173 | R124-G175 PolarHBondContact NH1-O 2.9Å; I125-G175 PolarHBondContact O-N 3.45Å; K173-G175 PolarHBondContact O-N 3.3Å |
| 176 | D | 93.2 | Very high | 93.1 | Very high | 21 Ų | 21 | 53.3 Ų | 53.3 | 11% | 0.112 | 26% | 0.259 | C | S | . | . | trans | -63.4 | 144.4 | 176.4 | -73.7 | -26.4 | 0 | 0 | 0 | 111.5 | R124 I125 M172 K173 K202 | R124-D176 CarbonylContact C-O 3.53Å; R124-D176 WeakPolarHBondContact CA-O 3.42Å; I125-D176 HydrophobicContact CG1-CB 4.17Å; I125-D176 PolarHBondContact N-O 3.31Å; M172-D176 WeakPolarHBondContact CA-OD2 3.25Å; K173-D176 WeakPolarHBondContact CG-OD2 3.49Å; K173-D176 PolarHBondContact N-OD2 2.9Å; K173-D176 VanDerWaalsContact O-CB 3.3Å; K173-D176 WeakPolarHBondContact O-CB 3.46Å; K173-D176 PolarHBondContact O-N 3.09Å; K173-D176 VanDerWaalsContact O-N 3.1Å; D176-K202 VanDerWaalsContact OD1-CE 3.28Å; D176-K202 WeakPolarHBondContact OD1-CE 3.28Å; D176-K202 IonicContact OD1-NZ 3.26Å; D176-K202 PolarHBondContact OD1-NZ 3.23Å; D176-K202 VanDerWaalsContact OD2-CE 3.24Å; D176-K202 WeakPolarHBondContact OD2-CE 3.18Å; D176-K202 IonicContact OD2-NZ 2.73Å; D176-K202 PolarHBondContact OD2-NZ 3.43Å | ||
| 177 | L | 93.8 | Very high | 93.3 | Very high | 23 Ų | 23 | 56.2 Ų | 56.2 | 12% | 0.12 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 140.9 | 173.1 | -67 | 178.3 | 0 | 0 | 0 | 110.2 | G123 R124 L203 L208 | G123-L177 WeakPolarHBondContact O-CA 3.47Å; R124-L177 HydrophobicContact CB-CD2 3.92Å; R124-L177 HydrophobicContact CG-CD2 4.18Å; L177-L203 HydrophobicContact CB-CB 3.99Å; L177-L203 HydrophobicContact CB-CD1 4.49Å; L177-L203 PolarHBondContact O-N 2.83Å; L177-L208 HydrophobicContact CD1-CB 3.97Å; L177-L208 HydrophobicContact CD2-CD1 4.39Å; L177-L208 HydrophobicContact CD2-CD2 3.96Å |
| 178 | I | 93.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 154.7 | 177.7 | 62.3 | 162.6 | 0 | 0 | 0 | 110.6 | V122 G123 I125 V135 L145 M172 A180 M195 G201 | V122-I178 WeakPolarHBondContact CA-O 3.44Å; G123-I178 PolarHBondContact N-O 3.22Å; G123-I178 PolarHBondContact O-N 3.47Å; I125-I178 HydrophobicContact CD1-CD1 3.89Å; I125-I178 HydrophobicContact CD1-CG1 4.24Å; I125-I178 HydrophobicContact CD1-CG2 4.08Å; I125-I178 HydrophobicContact CG1-CG2 4.31Å; V135-I178 HydrophobicContact CG1-CD1 3.89Å; V135-I178 HydrophobicContact CG1-CG1 4.15Å; V135-I178 HydrophobicContact CG2-CD1 3.99Å; L145-I178 HydrophobicContact CD2-CD1 3.93Å; M172-I178 HydrophobicContact SD-CG2 3.61Å; I178-A180 HydrophobicContact CD1-CB 4.28Å; I178-M195 HydrophobicContact CB-CE 4.1Å; I178-M195 HydrophobicContact CB-SD 4.42Å; I178-M195 HydrophobicContact CD1-SD 3.89Å; I178-M195 HydrophobicContact CG2-CE 4.22Å; I178-G201 WeakPolarHBondContact CA-O 3.47Å |
| 179 | V | 94.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 125 | 162.3 | 66.9 | 0 | 0 | 0 | 0 | 108.9 | T120 V121 V122 T200 G201 L203 R223 I250 I267 | T120-V179 HydrophobicContact CG2-CG2 3.82Å; V121-V179 WeakPolarHBondContact O-CA 3.47Å; V122-V179 HydrophobicContact CG2-CG2 4.38Å; V179-T200 CarbonylContact O-C 3.59Å; V179-T200 VanDerWaalsContact O-CA 3.28Å; V179-T200 WeakPolarHBondContact O-CA 3.18Å; V179-T200 VanDerWaalsContact O-CB 3.25Å; V179-T200 WeakPolarHBondContact O-CB 3.43Å; V179-G201 PolarHBondContact N-O 2.87Å; V179-G201 PolarHBondContact O-N 3.43Å; V179-L203 HydrophobicContact CB-CD1 4.14Å; V179-L203 HydrophobicContact CB-CD2 4.41Å; V179-L203 HydrophobicContact CB-CG 4.35Å; V179-L203 HydrophobicContact CG1-CD2 4.09Å; V179-L203 HydrophobicContact CG1-CG 4.39Å; V179-R223 VanDerWaalsContact CG2-NH2 3.29Å; V179-I250 HydrophobicContact CB-CD1 4.33Å; V179-I250 HydrophobicContact CG1-CD1 4.29Å; V179-I250 HydrophobicContact CG2-CD1 4.41Å; V179-I250 HydrophobicContact CG2-CG2 3.78Å; V179-I267 HydrophobicContact CG1-CD1 3.78Å |
| 180 | A | 95.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.008 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 168.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | V121 I178 L193 M195 | V121-A180 HydrophobicContact CG2-CB 4.49Å; V121-A180 PolarHBondContact N-O 3.37Å; V121-A180 PolarHBondContact O-N 3.04Å; I178-A180 HydrophobicContact CD1-CB 4.28Å; A180-L193 HydrophobicContact CB-CB 4.15Å; A180-L193 HydrophobicContact CB-CD1 4.23Å; A180-M195 HydrophobicContact CB-CG 3.74Å; A180-M195 HydrophobicContact CB-SD 4.28Å |
| 181 | E | 95.4 | Very high | 94.3 | Very high | 41 Ų | 41 | 49.2 Ų | 49.2 | 19% | 0.192 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 141.8 | 175.5 | -73.4 | 167.4 | -163.6 | 0 | 0 | 109.6 | D119 H183 L193 H194 T200 R223 | D119-E181 WeakPolarHBondContact O-CA 3.37Å; E181-H183 PolarHBondContact O-N 3.12Å; E181-L193 WeakPolarHBondContact O-CA 3.16Å; E181-H194 WeakPolarHBondContact CB-CE1 3.35Å; E181-H194 PolarHBondContact N-O 3.27Å; E181-H194 VanDerWaalsContact N-O 3.07Å; E181-H194 PolarHBondContact O-N 3Å; E181-H194 PolarHBondContact O-ND1 2.92Å; E181-H194 IonicContact OE2-NE2 2.66Å; E181-T200 HydrophobicContact CG-CG2 3.97Å; E181-R223 IonicContact OE1-NH1 2.68Å; E181-R223 PolarHBondContact OE1-NH1 2.84Å; E181-R223 IonicContact OE1-NH2 3.54Å |
| 182 | V | 97.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 115.5 | 176.1 | -179.8 | 0 | 0 | 0 | 0 | 108.6 | N116 G118 D119 V121 V185 L191 L193 | N116-V182 VanDerWaalsContact O-CB 3.32Å; N116-V182 WeakPolarHBondContact O-CB 3.47Å; N116-V182 WeakPolarHBondContact O-CG1 3.46Å; G118-V182 PolarHBondContact N-O 3.06Å; D119-V182 HydrophobicContact CB-CB 4.49Å; D119-V182 HydrophobicContact CB-CG2 4.05Å; D119-V182 PolarHBondContact O-N 3Å; V121-V182 HydrophobicContact CG1-CG2 4.15Å; V121-V182 HydrophobicContact CG2-CG2 4.44Å; V182-V185 HydrophobicContact CG1-CG2 4.01Å; V182-L191 HydrophobicContact CG1-CD2 4.37Å; V182-L193 HydrophobicContact CG2-CD2 4.13Å |
| 183 | H | 96.1 | Very high | 95.1 | Very high | 96 Ų | 96 | 48.3 Ų | 48.3 | 44% | 0.444 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | -47.9 | 177.4 | -176.5 | -100.4 | 0 | 0 | 0 | 111.4 | V117 E181 Q192 H194 | V117-H183 WeakPolarHBondContact CG1-O 3.49Å; E181-H183 PolarHBondContact O-N 3.12Å; H183-Q192 WeakPolarHBondContact CB-O 3.16Å; H183-Q192 PolarHBondContact N-O 3.43Å; H183-H194 HydrophobicContact CB-CB 4.11Å; H183-H194 WeakPolarHBondContact CB-ND1 3.15Å; H183-H194 PolarHBondContact N-ND1 2.72Å |
| 184 | E | 97.1 | Very high | 95.3 | Very high | 88 Ų | 88 | 44.6 Ų | 44.6 | 41% | 0.411 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 150.8 | -173.5 | -171.1 | 176.5 | -174.5 | 0 | 0 | 110 | Q192 | E184-Q192 HydrophobicContact CB-CB 4.14Å; E184-Q192 PolarHBondContact N-O 3.32Å; E184-Q192 PolarHBondContact O-N 3.45Å |
| 185 | V | 96.4 | Very high | 95.1 | Very high | 44 Ų | 44 | 40.9 Ų | 40.9 | 27% | 0.267 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 115.8 | 174.7 | -176.4 | 0 | 0 | 0 | 0 | 107.4 | G115 V117 V182 L191 | G115-V185 WeakPolarHBondContact O-CG2 3.41Å; V117-V185 HydrophobicContact CG2-CG2 4.31Å; V182-V185 HydrophobicContact CG1-CG2 4.01Å; V185-L191 HydrophobicContact CB-CD2 4.27Å; V185-L191 HydrophobicContact CG1-CD2 3.94Å; V185-L191 HydrophobicContact CG2-CD2 3.72Å |
| 186 | Y | 96 | Very high | 94.7 | Very high | 89 Ų | 89 | 41.8 Ų | 41.8 | 35% | 0.349 | 21% | 0.207 | S | C | . | . | trans | -73.9 | 163.2 | 178.8 | -67.2 | -62.2 | 0 | 0 | 0 | 111.3 | D188 G189 T190 Q192 | Y186-D188 WeakPolarHBondContact CB-OD1 3.37Å; Y186-D188 PolarHBondContact O-N 3.12Å; Y186-G189 PolarHBondContact O-N 3.25Å; Y186-T190 HydrophobicContact CD2-CG2 4.14Å; Y186-T190 WeakPolarHBondContact CD2-O 3.35Å; Y186-T190 PolarHBondContact N-O 2.84Å; Y186-Q192 HydrophobicContact CE2-CB 3.83Å | ||
| 187 | K | 93.4 | Very high | 94 | Very high | 229 Ų | 229 | 41.3 Ų | 41.3 | 100% | 0.996 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -26 | -176.4 | -64.7 | -175.3 | 179.8 | -177.9 | 0 | 114 | G189 | K187-G189 VanDerWaalsContact C-N 3.29Š|
| 188 | D | 93.4 | Very high | 93.3 | Very high | 103 Ų | 103 | 45.2 Ų | 45.2 | 55% | 0.551 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -6.9 | 175.5 | 65.4 | -20.9 | 0 | 0 | 0 | 113 | Y186 T190 | Y186-D188 WeakPolarHBondContact CB-OD1 3.37Å; Y186-D188 PolarHBondContact O-N 3.12Å; D188-T190 VanDerWaalsContact CG-OG1 3.28Å; D188-T190 WeakPolarHBondContact OD1-CB 3.4Å; D188-T190 PolarHBondContact OD1-N 2.73Å; D188-T190 PolarHBondContact OD1-OG1 3.45Å; D188-T190 WeakPolarHBondContact OD2-CB 3.33Å; D188-T190 PolarHBondContact OD2-OG1 3.3Å |
| 189 | G | 91.9 | Very high | 92.8 | Very high | 19 Ų | 19 | 52.1 Ų | 52.1 | 20% | 0.196 | 26% | 0.257 | C | S | . | . | S | Bend | trans | 87.9 | 2.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y186 K187 L191 | Y186-G189 PolarHBondContact O-N 3.25Å; K187-G189 VanDerWaalsContact C-N 3.29Å; G189-L191 PolarHBondContact O-N 3.06Å |
| 190 | T | 95.7 | Very high | 92.6 | Very high | 12 Ų | 12 | 52.2 Ų | 52.2 | 7% | 0.074 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 133.6 | 172.5 | -63.9 | 0 | 0 | 0 | 0 | 109.5 | L141 Y186 D188 | L141-T190 WeakPolarHBondContact CD1-OG1 3.39Å; Y186-T190 HydrophobicContact CD2-CG2 4.14Å; Y186-T190 WeakPolarHBondContact CD2-O 3.35Å; Y186-T190 PolarHBondContact N-O 2.84Å; D188-T190 VanDerWaalsContact CG-OG1 3.28Å; D188-T190 WeakPolarHBondContact OD1-CB 3.4Å; D188-T190 PolarHBondContact OD1-N 2.73Å; D188-T190 PolarHBondContact OD1-OG1 3.45Å; D188-T190 WeakPolarHBondContact OD2-CB 3.33Å; D188-T190 PolarHBondContact OD2-OG1 3.3Å |
| 191 | L | 97.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 129.3 | -178.4 | -56.4 | 177.7 | 0 | 0 | 0 | 110.3 | Y113 V137 A143 N144 V182 V185 G189 | Y113-L191 HydrophobicContact CD1-CD1 4.12Å; Y113-L191 HydrophobicContact CE1-CD1 3.68Å; V137-L191 HydrophobicContact CG2-CD1 3.98Å; A143-L191 CarbonylContact C-O 3.45Å; A143-L191 WeakPolarHBondContact CA-O 3.46Å; A143-L191 HydrophobicContact CB-CB 3.96Å; A143-L191 WeakPolarHBondContact CB-O 3.35Å; N144-L191 PolarHBondContact N-O 2.93Å; V182-L191 HydrophobicContact CG1-CD2 4.37Å; V185-L191 HydrophobicContact CB-CD2 4.27Å; V185-L191 HydrophobicContact CG1-CD2 3.94Å; V185-L191 HydrophobicContact CG2-CD2 3.72Å; G189-L191 PolarHBondContact O-N 3.06Å |
| 192 | Q | 97.9 | Very high | 92 | Very high | 15 Ų | 15 | 51.9 Ų | 51.9 | 7% | 0.07 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 121.5 | 168.4 | -172.3 | 65.6 | 17.5 | 0 | 0 | 109.3 | N144 A146 N149 H183 E184 Y186 | N144-Q192 PolarHBondContact O-OE1 2.88Å; A146-Q192 VanDerWaalsContact CB-NE2 3.35Å; N149-Q192 PolarHBondContact ND2-NE2 2.92Å; N149-Q192 VanDerWaalsContact ND2-NE2 3.13Å; H183-Q192 WeakPolarHBondContact CB-O 3.16Å; H183-Q192 PolarHBondContact N-O 3.43Å; E184-Q192 HydrophobicContact CB-CB 4.14Å; E184-Q192 PolarHBondContact N-O 3.32Å; E184-Q192 PolarHBondContact O-N 3.45Å; Y186-Q192 HydrophobicContact CE2-CB 3.83Å |
| 193 | L | 97.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 156.9 | 179.4 | -55.8 | -178.7 | 0 | 0 | 0 | 111.1 | V121 V135 V137 A143 N144 L145 N149 A180 E181 V182 | V121-L193 HydrophobicContact CG2-CD2 3.86Å; V135-L193 HydrophobicContact CB-CD1 3.97Å; V135-L193 HydrophobicContact CG1-CD1 4.17Å; V135-L193 HydrophobicContact CG2-CD1 4.07Å; V137-L193 HydrophobicContact CG1-CD1 4.05Å; A143-L193 HydrophobicContact CB-CD1 3.79Å; A143-L193 HydrophobicContact CB-CD2 4.31Å; A143-L193 HydrophobicContact CB-CG 3.89Å; N144-L193 PolarHBondContact O-N 3.5Å; L145-L193 HydrophobicContact CB-CB 4.33Å; L145-L193 HydrophobicContact CD1-CB 3.86Å; N149-L193 PolarHBondContact ND2-O 3.41Å; N149-L193 VanDerWaalsContact ND2-O 3.1Å; A180-L193 HydrophobicContact CB-CB 4.15Å; A180-L193 HydrophobicContact CB-CD1 4.23Å; E181-L193 WeakPolarHBondContact O-CA 3.16Å; V182-L193 HydrophobicContact CG2-CD2 4.13Å |
| 194 | H | 95 | Very high | 91 | Very high | 40 Ų | 40 | 48 Ų | 48 | 19% | 0.185 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 152.7 | 169.5 | 72.3 | -64.1 | 0 | 0 | 0 | 112 | N149 E181 H183 | N149-H194 HydrophobicContact CB-CB 3.88Å; E181-H194 WeakPolarHBondContact CB-CE1 3.35Å; E181-H194 PolarHBondContact N-O 3.27Å; E181-H194 VanDerWaalsContact N-O 3.07Å; E181-H194 PolarHBondContact O-N 3Å; E181-H194 PolarHBondContact O-ND1 2.92Å; E181-H194 IonicContact OE2-NE2 2.66Å; H183-H194 HydrophobicContact CB-CB 4.11Å; H183-H194 WeakPolarHBondContact CB-ND1 3.15Å; H183-H194 PolarHBondContact N-ND1 2.72Å |
| 195 | M | 92.4 | Very high | 90.4 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 79.5 | -176.2 | -65.9 | 173.2 | 69.1 | 0 | 0 | 110.2 | L145 N149 V150 K151 M172 I178 A180 G197 T200 G201 L271 | L145-M195 HydrophobicContact CD1-CG 4Å; L145-M195 HydrophobicContact CD1-SD 3.95Å; L145-M195 HydrophobicContact CD2-SD 3.43Å; L145-M195 WeakPolarHBondContact CD2-SD 3.41Å; L145-M195 HydrophobicContact CG-SD 4.33Å; N149-M195 PolarHBondContact O-N 3Å; V150-M195 HydrophobicContact CG1-CB 4.49Å; V150-M195 HydrophobicContact CG2-CB 4.37Å; V150-M195 HydrophobicContact CG2-SD 4.4Å; K151-M195 PolarHBondContact N-O 3.3Å; M172-M195 HydrophobicContact SD-CE 4.31Å; M172-M195 HydrophobicContact SD-SD 4.47Å; I178-M195 HydrophobicContact CB-CE 4.1Å; I178-M195 HydrophobicContact CB-SD 4.42Å; I178-M195 HydrophobicContact CD1-SD 3.89Å; I178-M195 HydrophobicContact CG2-CE 4.22Å; A180-M195 HydrophobicContact CB-CG 3.74Å; A180-M195 HydrophobicContact CB-SD 4.28Å; M195-G197 PolarHBondContact O-N 2.74Å; M195-T200 VanDerWaalsContact C-OG1 3.27Å; M195-T200 VanDerWaalsContact CA-OG1 3.26Å; M195-T200 WeakPolarHBondContact CA-OG1 3.46Å; M195-G201 VanDerWaalsContact CE-N 3.3Å; M195-G201 WeakPolarHBondContact CE-O 2.97Å; M195-L271 HydrophobicContact CE-CD2 4.31Å |
| 196 | P | 85.4 | Confident | 90.1 | Very high | 51 Ų | 51 | 46 Ų | 46 | 33% | 0.331 | 25% | 0.252 | S | S | . | . | trans | -70.3 | -5 | -179.8 | 28 | -36.4 | 0 | 0 | 0 | 114.4 | K151 T198 T200 | K151-P196 WeakPolarHBondContact CD-O 3.33Å; P196-T198 PolarHBondContact O-N 3.39Å; P196-T200 WeakPolarHBondContact CD-OG1 3.2Å; P196-T200 VanDerWaalsContact N-OG1 3.12Å | ||
| 197 | G | 78.6 | Confident | 90 | Very high | 10 Ų | 10 | 43.3 Ų | 43.3 | 10% | 0.103 | 25% | 0.246 | C | C | . | . | S | Bend | trans | 87 | -15.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | M195 T200 G268 | M195-G197 PolarHBondContact O-N 2.74Å; G197-T200 WeakPolarHBondContact CA-O 3.08Å; G197-T200 PolarHBondContact N-OG1 3.1Å; G197-G268 WeakPolarHBondContact O-CA 3.44Å |
| 198 | T | 78.3 | Confident | 90.1 | Very high | 106 Ų | 106 | 34.2 Ų | 34.2 | 65% | 0.65 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -69.3 | -35.3 | 179.8 | 52.8 | 0 | 0 | 0 | 0 | 112.9 | P196 | P196-T198 PolarHBondContact O-N 3.39Š|
| 199 | R | 84.1 | Confident | 90.3 | Very high | 145 Ų | 145 | 29.6 Ų | 29.6 | 55% | 0.547 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -140.6 | -0.1 | 179.1 | -59 | -177.1 | -178.8 | -130.8 | -3.4 | 112.4 | R223 | R199-R223 PolarHBondContact O-NE 3.39Å; R199-R223 PolarHBondContact O-NH2 2.9Å |
| 200 | T | 89.2 | Confident | 90.5 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.012 | 20% | 0.202 | C | C | . | . | trans | -117.7 | 144.8 | -173 | 47.4 | 0 | 0 | 0 | 0 | 110.1 | V179 E181 M195 P196 G197 R223 I267 | V179-T200 CarbonylContact O-C 3.59Å; V179-T200 VanDerWaalsContact O-CA 3.28Å; V179-T200 WeakPolarHBondContact O-CA 3.18Å; V179-T200 VanDerWaalsContact O-CB 3.25Å; V179-T200 WeakPolarHBondContact O-CB 3.43Å; E181-T200 HydrophobicContact CG-CG2 3.97Å; M195-T200 VanDerWaalsContact C-OG1 3.27Å; M195-T200 VanDerWaalsContact CA-OG1 3.26Å; M195-T200 WeakPolarHBondContact CA-OG1 3.46Å; P196-T200 WeakPolarHBondContact CD-OG1 3.2Å; P196-T200 VanDerWaalsContact N-OG1 3.12Å; G197-T200 WeakPolarHBondContact CA-O 3.08Å; G197-T200 PolarHBondContact N-OG1 3.1Å; T200-R223 VanDerWaalsContact CG2-NH2 3.35Å; T200-I267 VanDerWaalsContact C-CG2 3.47Å; T200-I267 VanDerWaalsContact O-CG2 3.3Å; T200-I267 WeakPolarHBondContact O-CG2 3.46Å | ||
| 201 | G | 89.5 | Confident | 90.4 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.1 | -171 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I178 V179 M195 | I178-G201 WeakPolarHBondContact CA-O 3.47Å; V179-G201 PolarHBondContact N-O 2.87Å; V179-G201 PolarHBondContact O-N 3.43Å; M195-G201 VanDerWaalsContact CE-N 3.3Å; M195-G201 WeakPolarHBondContact CE-O 2.97Å |
| 202 | K | 89.7 | Confident | 90.3 | Very high | 32 Ų | 32 | 38.3 Ų | 38.3 | 14% | 0.139 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 133.5 | 177.3 | -175.1 | 177.2 | 174.2 | 165.2 | 0 | 110 | D176 L271 A273 | D176-K202 VanDerWaalsContact OD1-CE 3.28Å; D176-K202 WeakPolarHBondContact OD1-CE 3.28Å; D176-K202 IonicContact OD1-NZ 3.26Å; D176-K202 PolarHBondContact OD1-NZ 3.23Å; D176-K202 VanDerWaalsContact OD2-CE 3.24Å; D176-K202 WeakPolarHBondContact OD2-CE 3.18Å; D176-K202 IonicContact OD2-NZ 2.73Å; D176-K202 PolarHBondContact OD2-NZ 3.43Å; K202-L271 VanDerWaalsContact CD-O 3.3Å; K202-L271 WeakPolarHBondContact CD-O 3.25Å; K202-A273 HydrophobicContact CD-CB 4.37Å |
| 203 | L | 89.4 | Confident | 90.1 | Very high | 9 Ų | 9 | 38.6 Ų | 38.6 | 5% | 0.047 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 125.8 | 174.7 | -62.8 | 172.3 | 0 | 0 | 0 | 109.2 | V122 L177 V179 I250 W258 I267 | V122-L203 HydrophobicContact CG1-CD1 4.01Å; V122-L203 HydrophobicContact CG2-CD1 4.49Å; L177-L203 HydrophobicContact CB-CB 3.99Å; L177-L203 HydrophobicContact CB-CD1 4.49Å; L177-L203 PolarHBondContact O-N 2.83Å; V179-L203 HydrophobicContact CB-CD1 4.14Å; V179-L203 HydrophobicContact CB-CD2 4.41Å; V179-L203 HydrophobicContact CB-CG 4.35Å; V179-L203 HydrophobicContact CG1-CD2 4.09Å; V179-L203 HydrophobicContact CG1-CG 4.39Å; L203-I250 HydrophobicContact CD1-CD1 4.25Å; L203-I250 HydrophobicContact CD2-CD1 3.51Å; L203-W258 HydrophobicContact CD1-CB 3.9Å; L203-W258 HydrophobicContact CD1-CD2 4.27Å; L203-W258 HydrophobicContact CD1-CG 3.77Å; L203-W258 HydrophobicContact CD2-CD2 4.29Å; L203-I267 HydrophobicContact CD2-CD1 3.47Å; L203-I267 VanDerWaalsContact CD2-CD1 3.47Å; L203-I267 HydrophobicContact CD2-CG1 4.48Å |
| 204 | G | 83.3 | Confident | 89.8 | Confident | 8 Ų | 8 | 42.3 Ų | 42.3 | 8% | 0.082 | 25% | 0.246 | C | C | . | . | trans | -111.5 | 151.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | A264 V275 | G204-A264 VanDerWaalsContact O-CB 3.26Å; G204-A264 WeakPolarHBondContact O-CB 3.22Å; G204-V275 WeakPolarHBondContact O-CG2 3.23Å | ||
| 205 | G | 83.7 | Confident | 89.8 | Confident | 46 Ų | 46 | 41.7 Ų | 41.7 | 47% | 0.474 | 24% | 0.244 | S | C | . | . | S | Bend | trans | 59.7 | -168.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | W258 | G205-W258 PolarHBondContact O-NE1 3.15Š|
| 206 | G | 89.6 | Confident | 89.9 | Confident | 42 Ų | 42 | 42.1 Ų | 42.1 | 43% | 0.433 | 25% | 0.246 | S | C | . | . | S | Bend | trans | 67.7 | -155.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | T259 | G206-T259 CarbonylContact C-O 3.59Å; G206-T259 WeakPolarHBondContact CA-O 3.4Å |
| 207 | C | 93.2 | Very high | 90.3 | Very high | 33 Ų | 33 | 43.9 Ų | 43.9 | 22% | 0.223 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 149.3 | 178.9 | 68 | 0 | 0 | 0 | 0 | 111.5 | W258 T259 | C207-W258 WeakPolarHBondContact O-CA 3.45Å; C207-T259 PolarHBondContact N-O 2.81Å; C207-T259 PolarHBondContact O-N 3.2Å; C207-T259 WeakPolarHBondContact SG-CG2 3.46Å |
| 208 | L | 96.1 | Very high | 91 | Very high | 38 Ų | 38 | 49.1 Ų | 49.1 | 20% | 0.199 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 127.7 | 173.4 | 179.6 | 76.5 | 0 | 0 | 0 | 109 | V122 L177 Y256 I257 | V122-L208 HydrophobicContact CG1-CD1 3.74Å; L177-L208 HydrophobicContact CD1-CB 3.97Å; L177-L208 HydrophobicContact CD2-CD1 4.39Å; L177-L208 HydrophobicContact CD2-CD2 3.96Å; L208-Y256 HydrophobicContact CD1-CG 4.44Å; L208-I257 CarbonylContact C-O 3.6Å; L208-I257 WeakPolarHBondContact CA-O 3.37Å |
| 209 | L | 97.1 | Very high | 91.7 | Very high | 7 Ų | 7 | 47 Ų | 47 | 4% | 0.037 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 147.4 | 166.6 | -53 | 95.5 | 0 | 0 | 0 | 110.1 | Y256 I257 T259 R298 I301 L302 | L209-Y256 WeakPolarHBondContact O-CA 3.35Å; L209-I257 HydrophobicContact CB-CB 4.26Å; L209-I257 HydrophobicContact CD1-CB 4.28Å; L209-I257 HydrophobicContact CD1-CG2 4.07Å; L209-I257 PolarHBondContact N-O 3.13Å; L209-I257 PolarHBondContact O-N 3.41Å; L209-T259 HydrophobicContact CD1-CG2 3.72Å; L209-R298 HydrophobicContact CD1-CG 4.29Å; L209-R298 HydrophobicContact CD2-CB 4.4Å; L209-R298 HydrophobicContact CD2-CG 3.62Å; L209-R298 HydrophobicContact CG-CG 4.07Å; L209-I301 HydrophobicContact CD1-CD1 4.48Å; L209-I301 HydrophobicContact CD2-CB 4.17Å; L209-I301 HydrophobicContact CD2-CG2 3.97Å; L209-L302 HydrophobicContact CD2-CD2 3.98Å; L209-L302 HydrophobicContact CD2-CG 3.9Å |
| 210 | R | 96.5 | Very high | 92.1 | Very high | 152 Ų | 152 | 50.3 Ų | 50.3 | 57% | 0.574 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 118.8 | 173.9 | -61.1 | -176.5 | 167 | 169.8 | -9.1 | 108.4 | D136 Y256 | D136-R210 IonicContact OD2-NH2 2.6Å; R210-Y256 HydrophobicContact CB-CD1 4.27Å; R210-Y256 HydrophobicContact CB-CE1 4.16Å; R210-Y256 HydrophobicContact CG-CD1 3.79Å; R210-Y256 HydrophobicContact CG-CE1 3.56Å; R210-Y256 PolarHBondContact NE-OH 3.34Å |
| 211 | I | 94.8 | Very high | 92.3 | Very high | 8 Ų | 8 | 54.3 Ų | 54.3 | 4% | 0.041 | 29% | 0.286 | C | S | . | . | trans | -128.3 | 160.4 | 177.2 | 74.6 | 162.4 | 0 | 0 | 0 | 109.7 | L215 I216 G255 I257 T305 V311 | I211-L215 HydrophobicContact CD1-CB 4.22Å; I211-I216 HydrophobicContact CD1-CD1 3.55Å; I211-I216 HydrophobicContact CD1-CG1 4.05Å; I211-I216 HydrophobicContact CG1-CD1 4.03Å; I211-I216 HydrophobicContact CG1-CG1 4.27Å; I211-G255 WeakPolarHBondContact CG1-O 3.43Å; I211-G255 PolarHBondContact N-O 3.22Å; I211-G255 VanDerWaalsContact O-CA 3.29Å; I211-G255 WeakPolarHBondContact O-CA 3.5Å; I211-I257 HydrophobicContact CD1-CD1 3.63Å; I211-I257 HydrophobicContact CG1-CD1 3.96Å; I211-I257 HydrophobicContact CG1-CG1 4.5Å; I211-I257 HydrophobicContact CG2-CD1 4.36Å; I211-T305 HydrophobicContact CB-CG2 3.76Å; I211-T305 HydrophobicContact CG2-CG2 3.75Å; I211-T305 WeakPolarHBondContact CG2-OG1 3.36Å; I211-V311 HydrophobicContact CD1-CB 4.16Å; I211-V311 HydrophobicContact CD1-CG2 3.91Å | ||
| 212 | P | 94.5 | Very high | 92.6 | Very high | 56 Ų | 56 | 54.7 Ų | 54.7 | 36% | 0.364 | 29% | 0.287 | S | S | . | . | trans | -55 | 129.9 | 171.7 | -26.1 | 34.4 | 0 | 0 | 0 | 111.4 | S214 L215 | P212-S214 PolarHBondContact O-N 2.76Å; P212-S214 VanDerWaalsContact O-N 3.14Å; P212-L215 HydrophobicContact CB-CD1 4.33Å; P212-L215 HydrophobicContact CB-CG 4.34Å; P212-L215 HydrophobicContact CG-CD1 4.14Å; P212-L215 PolarHBondContact O-N 2.9Å | ||
| 213 | P | 94.5 | Very high | 92.7 | Very high | 21 Ų | 21 | 55 Ų | 55 | 14% | 0.136 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -61.1 | -25.6 | -178.3 | 22.5 | -32.6 | 0 | 0 | 0 | 112.9 | A111 Y113 L215 I216 | A111-P213 WeakPolarHBondContact O-CG 3.47Å; Y113-P213 HydrophobicContact CD2-CB 4.47Å; P213-L215 PolarHBondContact O-N 2.95Å; P213-I216 PolarHBondContact O-N 3.46Å |
| 214 | S | 91.7 | Very high | 93 | Very high | 77 Ų | 77 | 55 Ų | 55 | 54% | 0.538 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -65.5 | -22 | 176.2 | 52.9 | 0 | 0 | 0 | 0 | 114.1 | P212 | P212-S214 PolarHBondContact O-N 2.76Å; P212-S214 VanDerWaalsContact O-N 3.14Å |
| 215 | L | 93.9 | Very high | 93.5 | Very high | 28 Ų | 28 | 60.9 Ų | 60.9 | 15% | 0.147 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -84.3 | -13.4 | 177.5 | -66.1 | 177.6 | 0 | 0 | 0 | 112.5 | I211 P212 P213 K217 T305 P310 V311 | I211-L215 HydrophobicContact CD1-CB 4.22Å; P212-L215 HydrophobicContact CB-CD1 4.33Å; P212-L215 HydrophobicContact CB-CG 4.34Å; P212-L215 HydrophobicContact CG-CD1 4.14Å; P212-L215 PolarHBondContact O-N 2.9Å; P213-L215 PolarHBondContact O-N 2.95Å; L215-K217 PolarHBondContact O-N 2.9Å; L215-T305 HydrophobicContact CD1-CG2 3.82Å; L215-P310 CarbonylContact O-C 3.58Å; L215-P310 VanDerWaalsContact O-CA 3.27Å; L215-P310 WeakPolarHBondContact O-CA 3.46Å; L215-V311 PolarHBondContact O-N 3.45Å |
| 216 | I | 95.2 | Very high | 94 | Very high | 10 Ų | 10 | 58.9 Ų | 58.9 | 5% | 0.051 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -79.3 | 117.4 | 175.2 | -59.6 | -72.9 | 0 | 0 | 0 | 109.1 | I211 P213 R218 L251 I257 | I211-I216 HydrophobicContact CD1-CD1 3.55Å; I211-I216 HydrophobicContact CD1-CG1 4.05Å; I211-I216 HydrophobicContact CG1-CD1 4.03Å; I211-I216 HydrophobicContact CG1-CG1 4.27Å; P213-I216 PolarHBondContact O-N 3.46Å; I216-R218 PolarHBondContact O-N 3.48Å; I216-L251 HydrophobicContact CD1-CD2 4.49Å; I216-I257 HydrophobicContact CD1-CD1 3.76Å; I216-I257 HydrophobicContact CD1-CG1 3.86Å |
| 217 | K | 93.9 | Very high | 94.2 | Very high | 89 Ų | 89 | 59.7 Ų | 59.7 | 39% | 0.387 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 122.4 | 171.9 | -167.9 | 175.3 | 179.6 | 173.5 | 0 | 108.9 | L215 Q219 V311 W312 | L215-K217 PolarHBondContact O-N 2.9Å; K217-Q219 PolarHBondContact O-N 2.79Å; K217-V311 PolarHBondContact N-O 3.44Å; K217-V311 VanDerWaalsContact N-O 3.13Å; K217-W312 HydrophobicContact CB-CB 3.92Å; K217-W312 HydrophobicContact CB-CE3 4.41Å; K217-W312 HydrophobicContact CD-CB 4.34Å; K217-W312 HydrophobicContact CD-CD2 3.93Å; K217-W312 HydrophobicContact CD-CE3 4.01Å; K217-W312 HydrophobicContact CD-CG 4.11Å |
| 218 | R | 93.3 | Very high | 94.2 | Very high | 119 Ų | 119 | 58.2 Ų | 58.2 | 45% | 0.449 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 126.1 | 173.8 | -69.6 | 176.3 | 173.5 | -99.8 | -2.8 | 109.8 | N116 D119 I216 | N116-R218 VanDerWaalsContact ND2-CZ 3.29Å; N116-R218 PolarHBondContact ND2-NH1 2.62Å; N116-R218 PolarHBondContact ND2-NH2 3.02Å; D119-R218 IonicContact OD1-CZ 3.76Å; D119-R218 IonicContact OD1-NH1 3.93Å; D119-R218 PolarHBondContact OD1-NH1 3.3Å; D119-R218 IonicContact OD2-CZ 3.92Å; D119-R218 IonicContact OD2-NH1 3.77Å; D119-R218 PolarHBondContact OD2-NH1 3.09Å; D119-R218 IonicContact OD2-NH2 3.08Å; D119-R218 PolarHBondContact OD2-NH2 2.94Å; D119-R218 VanDerWaalsContact OD2-NH2 3.09Å; I216-R218 PolarHBondContact O-N 3.48Å |
| 219 | Q | 93.3 | Very high | 93.9 | Very high | 63 Ų | 63 | 58.5 Ų | 58.5 | 29% | 0.294 | 28% | 0.282 | S | S | . | . | trans | -135 | 165.8 | -178.8 | -66.9 | -173.7 | -65.5 | 0 | 0 | 110.4 | K217 I221 H222 | K217-Q219 PolarHBondContact O-N 2.79Å; Q219-I221 WeakPolarHBondContact CB-O 3.33Å; Q219-I221 PolarHBondContact O-N 3.47Å; Q219-H222 PolarHBondContact N-NE2 2.68Å; Q219-H222 PolarHBondContact O-CD2 3.03Å; Q219-H222 PolarHBondContact O-NE2 3.01Å | ||
| 220 | K | 92.2 | Very high | 93.4 | Very high | 213 Ų | 213 | 59.8 Ų | 59.8 | 93% | 0.926 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -66.9 | -30.5 | 174 | -175.2 | 177.4 | 179 | -179.4 | 0 | 112.1 | ||
| 221 | I | 93.1 | Very high | 92.8 | Very high | 86 Ų | 86 | 53.2 Ų | 53.2 | 44% | 0.441 | 26% | 0.263 | S | S | . | . | trans | -124.8 | 126.4 | -176.7 | -58.9 | 171.8 | 0 | 0 | 0 | 106.7 | Q219 R223 H224 | Q219-I221 WeakPolarHBondContact CB-O 3.33Å; Q219-I221 PolarHBondContact O-N 3.47Å; I221-R223 WeakPolarHBondContact CG2-O 3.49Å; I221-H224 PolarHBondContact O-CE1 3.49Å; I221-H224 PolarHBondContact O-NE2 2.92Å | ||
| 222 | H | 94.5 | Very high | 92 | Very high | 11 Ų | 11 | 55.9 Ų | 55.9 | 5% | 0.051 | 28% | 0.277 | C | S | . | . | trans | -116 | 6.3 | 179.1 | -81.5 | -97.4 | 0 | 0 | 0 | 112.2 | T120 Q219 I250 L251 C253 | T120-H222 HydrophobicContact CG2-CB 4.26Å; Q219-H222 PolarHBondContact N-NE2 2.68Å; Q219-H222 PolarHBondContact O-CD2 3.03Å; Q219-H222 PolarHBondContact O-NE2 3.01Å; H222-I250 CarbonylContact O-C 3.55Å; H222-I250 WeakPolarHBondContact O-CA 3.37Å; H222-L251 WeakPolarHBondContact CB-O 3.21Å; H222-L251 PolarHBondContact ND1-O 3.06Å; H222-L251 PolarHBondContact O-N 3.2Å; H222-C253 PolarHBondContact CE1-SG 3.28Å | ||
| 223 | R | 93 | Very high | 91.1 | Very high | 40 Ų | 40 | 56.2 Ų | 56.2 | 15% | 0.151 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 121.6 | -177.3 | -62.5 | 179.7 | 176.6 | 91.9 | -9.1 | 108.1 | T120 V179 E181 R199 T200 I221 L249 I250 | T120-R223 PolarHBondContact OG1-NH1 2.87Å; V179-R223 VanDerWaalsContact CG2-NH2 3.29Å; E181-R223 IonicContact OE1-NH1 2.68Å; E181-R223 PolarHBondContact OE1-NH1 2.84Å; E181-R223 IonicContact OE1-NH2 3.54Å; R199-R223 PolarHBondContact O-NE 3.39Å; R199-R223 PolarHBondContact O-NH2 2.9Å; T200-R223 VanDerWaalsContact CG2-NH2 3.35Å; I221-R223 WeakPolarHBondContact CG2-O 3.49Å; R223-L249 WeakPolarHBondContact CA-O 3.4Å; R223-I250 HydrophobicContact CG-CG1 4.23Å; R223-I250 HydrophobicContact CG-CG2 4.28Å |
| 224 | H | 94.4 | Very high | 90 | Very high | 9 Ų | 9 | 57.7 Ų | 57.7 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 137.5 | -171 | -54.4 | -81.7 | 0 | 0 | 0 | 109.8 | I221 L226 L249 M265 E313 | I221-H224 PolarHBondContact O-CE1 3.49Å; I221-H224 PolarHBondContact O-NE2 2.92Å; H224-L226 HydrophobicContact CB-CD2 3.87Å; H224-L249 HydrophobicContact CB-CB 4.39Å; H224-L249 PolarHBondContact N-O 2.7Å; H224-L249 PolarHBondContact O-N 2.79Å; H224-M265 WeakPolarHBondContact O-CE 3.21Å; H224-E313 HydrophobicContact CB-CG 4.41Å; H224-E313 IonicContact CE1-OE1 3.85Å; H224-E313 IonicContact CE1-OE2 3.56Å; H224-E313 PolarHBondContact CE1-OE2 3.09Å; H224-E313 IonicContact CG-OE1 3.39Å; H224-E313 IonicContact ND1-OE1 3.53Å; H224-E313 PolarHBondContact ND1-OE1 2.94Å; H224-E313 IonicContact ND1-OE2 2.9Å; H224-E313 PolarHBondContact ND1-OE2 2.83Å |
| 225 | R | 94.3 | Very high | 88.9 | Confident | 131 Ų | 131 | 57.9 Ų | 57.9 | 49% | 0.494 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 103.5 | 168.6 | 179.6 | 174.1 | -82.4 | -171.3 | -7.6 | 106.6 | A262 M265 D266 | R225-A262 HydrophobicContact CG-CB 3.91Å; R225-A262 PolarHBondContact NH2-O 2.95Å; R225-M265 HydrophobicContact CB-CE 4.08Å; R225-D266 IonicContact NH2-OD1 3.13Å; R225-D266 PolarHBondContact NH2-OD1 3.19Å; R225-D266 IonicContact NH2-OD2 2.69Å; R225-D266 PolarHBondContact NH2-OD2 2.97Å |
| 226 | L | 94.9 | Very high | 87.6 | Confident | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.016 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 137.4 | -178.9 | -48.8 | -177.1 | 0 | 0 | 0 | 109.5 | H224 I228 S246 V247 L249 V297 E313 V316 L317 | H224-L226 HydrophobicContact CB-CD2 3.87Å; L226-I228 HydrophobicContact CB-CD1 4.04Å; L226-I228 HydrophobicContact CB-CG1 4.31Å; L226-S246 CarbonylContact O-C 3.58Å; L226-S246 WeakPolarHBondContact O-CA 3.24Å; L226-V247 PolarHBondContact N-O 2.99Å; L226-V247 PolarHBondContact O-N 2.79Å; L226-L249 HydrophobicContact CD1-CB 4.07Å; L226-L249 HydrophobicContact CD1-CD2 3.95Å; L226-L249 HydrophobicContact CD2-CD2 4.4Å; L226-L249 HydrophobicContact CG-CB 4.16Å; L226-L249 HydrophobicContact CG-CD2 4.49Å; L226-V297 HydrophobicContact CD1-CG1 4.1Å; L226-V297 HydrophobicContact CD1-CG2 4.2Å; L226-E313 HydrophobicContact CD2-CG 4.42Å; L226-V316 HydrophobicContact CD1-CG1 4.06Å; L226-L317 HydrophobicContact CB-CD2 4.07Å; L226-L317 HydrophobicContact CD1-CD2 4.48Å; L226-L317 HydrophobicContact CD2-CD1 4.35Å; L226-L317 HydrophobicContact CD2-CD2 3.78Å; L226-L317 HydrophobicContact CD2-CG 3.98Å; L226-L317 HydrophobicContact CG-CD2 4.32Å |
| 227 | A | 94.1 | Very high | 86.2 | Confident | 59 Ų | 59 | 62.1 Ų | 62.1 | 49% | 0.488 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 108.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | V244 | A227-V244 HydrophobicContact CB-CB 4.19Å; A227-V244 HydrophobicContact CB-CG1 4.47Å; A227-V244 HydrophobicContact CB-CG2 4.3Å |
| 228 | I | 92.9 | Very high | 85 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 132.7 | -178.4 | -55 | -58.4 | 0 | 0 | 0 | 108.6 | L226 R230 V244 I245 V247 A293 V297 C320 | L226-I228 HydrophobicContact CB-CD1 4.04Å; L226-I228 HydrophobicContact CB-CG1 4.31Å; I228-R230 PolarHBondContact O-N 3.4Å; I228-V244 CarbonylContact O-C 3.56Å; I228-V244 WeakPolarHBondContact O-CA 3.48Å; I228-I245 PolarHBondContact N-O 2.67Å; I228-I245 PolarHBondContact O-N 3.36Å; I228-V247 HydrophobicContact CB-CG2 4.37Å; I228-V247 HydrophobicContact CG1-CB 4.16Å; I228-V247 HydrophobicContact CG1-CG2 3.84Å; I228-A293 HydrophobicContact CB-CB 4.19Å; I228-A293 HydrophobicContact CG2-CB 4.02Å; I228-V297 HydrophobicContact CD1-CG2 3.8Å; I228-V297 HydrophobicContact CG1-CG2 3.86Å; I228-C320 HydrophobicContact CD1-CB 4.04Å |
| 229 | P | 89.1 | Confident | 83.7 | Confident | 44 Ų | 44 | 59 Ų | 59 | 29% | 0.286 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.7 | 136.8 | 175.4 | -26.8 | 34.9 | 0 | 0 | 0 | 112.2 | W324 | P229-W324 HydrophobicContact CB-CD2 3.91Å; P229-W324 HydrophobicContact CB-CE3 4.08Å; P229-W324 HydrophobicContact CB-CH2 4.06Å; P229-W324 HydrophobicContact CB-CZ2 3.86Å; P229-W324 HydrophobicContact CB-CZ3 4.17Å; P229-W324 HydrophobicContact CG-CD2 4.13Å; P229-W324 HydrophobicContact CG-CG 4.26Å |
| 230 | R | 87.9 | Confident | 82.4 | Confident | 35 Ų | 35 | 62.1 Ų | 62.1 | 13% | 0.132 | 33% | 0.33 | C | S | . | . | trans | -68 | 139 | 179.9 | -179.9 | 173.3 | -174.8 | 97.6 | 11.5 | 111 | I228 D232 E243 I245 S285 A289 W324 | I228-R230 PolarHBondContact O-N 3.4Å; R230-D232 IonicContact CZ-OD1 3.93Å; R230-D232 IonicContact NE-OD1 3.79Å; R230-D232 PolarHBondContact NE-OD1 2.68Å; R230-D232 IonicContact NE-OD2 3.73Å; R230-D232 IonicContact NH2-OD1 3.39Å; R230-D232 PolarHBondContact NH2-OD1 3.16Å; R230-E243 HydrophobicContact CB-CB 3.92Å; R230-E243 WeakPolarHBondContact CB-O 3.47Å; R230-E243 WeakPolarHBondContact CD-OE2 3.28Å; R230-E243 PolarHBondContact N-O 3.46Å; R230-E243 IonicContact NE-OE2 3.99Å; R230-I245 HydrophobicContact CB-CD1 4.35Å; R230-I245 HydrophobicContact CB-CG1 4.17Å; R230-I245 HydrophobicContact CG-CD1 4.12Å; R230-I245 HydrophobicContact CG-CG1 4.33Å; R230-S285 PolarHBondContact NH2-O 2.64Å; R230-A289 HydrophobicContact CG-CB 4.37Å; R230-W324 WeakPolarHBondContact O-CH2 3.26Å | ||
| 231 | M | 82.7 | Confident | 81.4 | Confident | 14 Ų | 14 | 53.7 Ų | 53.7 | 7% | 0.069 | 30% | 0.298 | C | S | . | . | trans | -140.6 | 116.8 | 173.5 | -174.5 | 173.9 | -171.3 | 0 | 0 | 109.1 | T233 A289 I292 R296 W324 R357 | M231-T233 WeakPolarHBondContact CE-O 3.39Å; M231-T233 WeakPolarHBondContact CG-O 3.35Å; M231-A289 WeakPolarHBondContact O-CA 3.3Å; M231-I292 HydrophobicContact CB-CG2 3.91Å; M231-I292 HydrophobicContact CG-CG2 4.21Å; M231-I292 WeakPolarHBondContact O-CD1 3.48Å; M231-I292 HydrophobicContact SD-CG2 4.15Å; M231-R296 PolarHBondContact SD-NH2 3.39Å; M231-W324 HydrophobicContact CB-CH2 4.16Å; M231-W324 HydrophobicContact CB-CZ3 3.96Å; M231-W324 HydrophobicContact CG-CZ3 4.4Å; M231-W324 HydrophobicContact SD-CZ3 4.11Å; M231-R357 HydrophobicContact CE-CB 4.4Å | ||
| 232 | D | 77.8 | Confident | 80.7 | Confident | 64 Ų | 64 | 57.4 Ų | 57.4 | 34% | 0.342 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -89.2 | -19.2 | -175.4 | -65.9 | -43.7 | 0 | 0 | 0 | 113.5 | R230 | R230-D232 IonicContact CZ-OD1 3.93Å; R230-D232 IonicContact NE-OD1 3.79Å; R230-D232 PolarHBondContact NE-OD1 2.68Å; R230-D232 IonicContact NE-OD2 3.73Å; R230-D232 IonicContact NH2-OD1 3.39Å; R230-D232 PolarHBondContact NH2-OD1 3.16Å |
| 233 | T | 76.2 | Confident | 80.4 | Confident | 62 Ų | 62 | 62.4 Ų | 62.4 | 38% | 0.38 | 34% | 0.342 | S | S | . | . | trans | -132.4 | 144.5 | -176 | 64.4 | 0 | 0 | 0 | 0 | 110.3 | M231 G236 | M231-T233 WeakPolarHBondContact CE-O 3.39Å; M231-T233 WeakPolarHBondContact CG-O 3.35Å; T233-G236 WeakPolarHBondContact OG1-CA 3.42Å; T233-G236 PolarHBondContact OG1-N 3.24Å | ||
| 234 | L | 71.6 | Confident | 80.3 | Confident | 53 Ų | 53 | 64.8 Ų | 64.8 | 28% | 0.277 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -74.9 | -40.7 | 172.2 | -84.8 | 92.4 | 0 | 0 | 0 | 111.7 | I292 N356 I358 | L234-I292 HydrophobicContact CD1-CD1 3.7Å; L234-I292 HydrophobicContact CD1-CG1 3.86Å; L234-I292 HydrophobicContact CG-CD1 4.39Å; L234-I292 HydrophobicContact CG-CG1 4.44Å; L234-N356 WeakPolarHBondContact CD2-OD1 3.3Å; L234-I358 HydrophobicContact CD2-CD1 4.08Å; L234-I358 HydrophobicContact CG-CD1 4.11Å |
| 235 | D | 68.7 | Low | 80.1 | Confident | 80 Ų | 80 | 65.1 Ų | 65.1 | 43% | 0.428 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -115.9 | -2.4 | -168.5 | -55.7 | -37.4 | 0 | 0 | 0 | 113.9 | S354 R355 N356 | D235-S354 WeakPolarHBondContact OD2-CB 3.28Å; D235-R355 PolarHBondContact OD1-N 2.79Å; D235-N356 PolarHBondContact OD1-N 2.88Å |
| 236 | G | 67 | Low | 80.1 | Confident | 19 Ų | 19 | 61.3 Ų | 61.3 | 20% | 0.196 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -81.7 | 174.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | T233 I238 R357 | T233-G236 WeakPolarHBondContact OG1-CA 3.42Å; T233-G236 PolarHBondContact OG1-N 3.24Å; G236-I238 PolarHBondContact O-N 3.26Å; G236-R357 PolarHBondContact O-NH1 3.16Å |
| 237 | P | 66.3 | Low | 80.1 | Confident | 109 Ų | 109 | 61.1 Ų | 61.1 | 71% | 0.708 | 36% | 0.355 | S | S | * | . | trans | -57.1 | 141.1 | 173.1 | 25.8 | -33.5 | 0 | 0 | 0 | 110 | T239 | P237-T239 PolarHBondContact O-N 3.48Š| ||
| 238 | I | 68.1 | Low | 80.1 | Confident | 37 Ų | 37 | 58.3 Ų | 58.3 | 19% | 0.19 | 33% | 0.332 | C | S | . | . | trans | -73.8 | 97.7 | 176.2 | -59.5 | 172.5 | 0 | 0 | 0 | 107.1 | G236 I240 W324 D327 Q328 R357 | G236-I238 PolarHBondContact O-N 3.26Å; I238-I240 PolarHBondContact O-N 2.96Å; I238-W324 HydrophobicContact CG2-CH2 4.36Å; I238-W324 HydrophobicContact CG2-CZ2 4.03Å; I238-D327 VanDerWaalsContact CD1-C 3.44Å; I238-D327 HydrophobicContact CD1-CB 3.89Å; I238-D327 WeakPolarHBondContact CD1-O 3.46Å; I238-Q328 HydrophobicContact CD1-CG 4.05Å; I238-Q328 HydrophobicContact CG2-CG 4.28Å; I238-R357 VanDerWaalsContact CG1-CZ 3.5Å | ||
| 239 | T | 66.4 | Low | 80.2 | Confident | 105 Ų | 105 | 58.2 Ų | 58.2 | 64% | 0.644 | 33% | 0.332 | S | S | * | . | trans | -71.3 | 114.1 | 167.8 | -51.5 | 0 | 0 | 0 | 0 | 107.6 | P237 S241 | P237-T239 PolarHBondContact O-N 3.48Å; T239-S241 PolarHBondContact O-N 3.46Å | ||
| 240 | I | 64.6 | Low | 80.6 | Confident | 129 Ų | 129 | 56.1 Ų | 56.1 | 66% | 0.662 | 32% | 0.318 | S | S | * | . | trans | -72.6 | 85.8 | 174 | -55.8 | 171.9 | 0 | 0 | 0 | 107.5 | I238 | I238-I240 PolarHBondContact O-N 2.96Š| ||
| 241 | S | 72.3 | Confident | 81 | Confident | 36 Ų | 36 | 54.5 Ų | 54.5 | 25% | 0.252 | 31% | 0.312 | S | S | . | . | trans | -94.1 | 137 | 166.2 | 65.2 | 0 | 0 | 0 | 0 | 109.3 | T239 E243 | T239-S241 PolarHBondContact O-N 3.46Å; S241-E243 PolarHBondContact O-N 2.84Å; S241-E243 VanDerWaalsContact O-N 3.14Å | ||
| 242 | N | 78 | Confident | 81.7 | Confident | 163 Ų | 163 | 53.8 Ų | 53.8 | 87% | 0.872 | 31% | 0.308 | S | S | * | . | trans | -75 | 10.3 | 170.1 | -75.1 | -10.8 | 0 | 0 | 0 | 112.8 | ||||
| 243 | E | 87.9 | Confident | 82.6 | Confident | 116 Ų | 116 | 51 Ų | 51 | 54% | 0.542 | 29% | 0.294 | S | S | . | . | trans | -75.9 | 139.3 | 178 | -64.3 | -170.6 | 178.2 | 0 | 0 | 110.9 | R230 S241 | R230-E243 HydrophobicContact CB-CB 3.92Å; R230-E243 WeakPolarHBondContact CB-O 3.47Å; R230-E243 WeakPolarHBondContact CD-OE2 3.28Å; R230-E243 PolarHBondContact N-O 3.46Å; R230-E243 IonicContact NE-OE2 3.99Å; S241-E243 PolarHBondContact O-N 2.84Å; S241-E243 VanDerWaalsContact O-N 3.14Å | ||
| 244 | V | 90.7 | Very high | 83.6 | Confident | 91 Ų | 91 | 48 Ų | 48 | 55% | 0.552 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123 | 139.8 | 179.6 | -65.3 | 0 | 0 | 0 | 0 | 110.4 | A227 I228 | A227-V244 HydrophobicContact CB-CB 4.19Å; A227-V244 HydrophobicContact CB-CG1 4.47Å; A227-V244 HydrophobicContact CB-CG2 4.3Å; I228-V244 CarbonylContact O-C 3.56Å; I228-V244 WeakPolarHBondContact O-CA 3.48Å |
| 245 | I | 91.8 | Very high | 84.8 | Confident | 15 Ų | 15 | 45.5 Ų | 45.5 | 8% | 0.077 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 128.4 | 173.2 | -60.5 | -178 | 0 | 0 | 0 | 108.2 | I228 R230 V247 A289 E290 A293 | I228-I245 PolarHBondContact N-O 2.67Å; I228-I245 PolarHBondContact O-N 3.36Å; R230-I245 HydrophobicContact CB-CD1 4.35Å; R230-I245 HydrophobicContact CB-CG1 4.17Å; R230-I245 HydrophobicContact CG-CD1 4.12Å; R230-I245 HydrophobicContact CG-CG1 4.33Å; I245-V247 HydrophobicContact CG2-CG2 4.34Å; I245-V247 PolarHBondContact O-N 3.17Å; I245-A289 HydrophobicContact CD1-CB 3.57Å; I245-A289 VanDerWaalsContact CD1-O 3.23Å; I245-A289 WeakPolarHBondContact CD1-O 3.44Å; I245-E290 HydrophobicContact CG2-CB 4.28Å; I245-E290 HydrophobicContact CG2-CG 4.21Å; I245-A293 HydrophobicContact CB-CB 4.14Å; I245-A293 HydrophobicContact CD1-CB 4.25Å; I245-A293 HydrophobicContact CG2-CB 4.02Å |
| 246 | S | 92.9 | Very high | 86.2 | Confident | 51 Ų | 51 | 42.1 Ų | 42.1 | 36% | 0.357 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 110.3 | 174.5 | -69.7 | 0 | 0 | 0 | 0 | 110.3 | L226 A262 | L226-S246 CarbonylContact O-C 3.58Å; L226-S246 WeakPolarHBondContact O-CA 3.24Å; S246-A262 WeakPolarHBondContact O-CB 3.48Å; S246-A262 PolarHBondContact O-N 3.1Å |
| 247 | V | 94.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 129.8 | 174.5 | 177.3 | 0 | 0 | 0 | 0 | 109.5 | L226 I228 I245 T259 A293 V294 V297 | L226-V247 PolarHBondContact N-O 2.99Å; L226-V247 PolarHBondContact O-N 2.79Å; I228-V247 HydrophobicContact CB-CG2 4.37Å; I228-V247 HydrophobicContact CG1-CB 4.16Å; I228-V247 HydrophobicContact CG1-CG2 3.84Å; I245-V247 HydrophobicContact CG2-CG2 4.34Å; I245-V247 PolarHBondContact O-N 3.17Å; V247-T259 WeakPolarHBondContact CG1-OG1 3.46Å; V247-A293 HydrophobicContact CG2-CB 3.66Å; V247-V294 HydrophobicContact CG1-CG2 4.12Å; V247-V294 HydrophobicContact CG2-CG2 4.3Å; V247-V297 HydrophobicContact CB-CG2 4.45Å; V247-V297 HydrophobicContact CG1-CB 4.44Å; V247-V297 HydrophobicContact CG1-CG2 4.06Å |
| 248 | G | 94.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 138.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T259 G260 M265 | G248-T259 WeakPolarHBondContact O-CA 3.46Å; G248-T259 PolarHBondContact O-OG1 3.06Å; G248-T259 VanDerWaalsContact O-OG1 3.05Å; G248-G260 PolarHBondContact N-O 3.34Å; G248-G260 PolarHBondContact O-N 2.92Å; G248-G260 VanDerWaalsContact O-N 3.08Å; G248-M265 WeakPolarHBondContact CA-SD 3.45Å |
| 249 | L | 96.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 125.1 | 175.2 | 177.6 | 67.5 | 0 | 0 | 0 | 109.8 | R223 H224 L226 L251 I257 M265 I301 V316 | R223-L249 WeakPolarHBondContact CA-O 3.4Å; H224-L249 HydrophobicContact CB-CB 4.39Å; H224-L249 PolarHBondContact N-O 2.7Å; H224-L249 PolarHBondContact O-N 2.79Å; L226-L249 HydrophobicContact CD1-CB 4.07Å; L226-L249 HydrophobicContact CD1-CD2 3.95Å; L226-L249 HydrophobicContact CD2-CD2 4.4Å; L226-L249 HydrophobicContact CG-CB 4.16Å; L226-L249 HydrophobicContact CG-CD2 4.49Å; L249-L251 HydrophobicContact CD1-CD2 3.9Å; L249-L251 HydrophobicContact CD1-CG 4.47Å; L249-L251 HydrophobicContact CD2-CD1 4.32Å; L249-L251 HydrophobicContact CD2-CD2 4.03Å; L249-L251 HydrophobicContact CD2-CG 4.1Å; L249-L251 HydrophobicContact CG-CD2 4.03Å; L249-L251 HydrophobicContact CG-CG 4.09Å; L249-I257 HydrophobicContact CD1-CG2 3.59Å; L249-M265 PolarHBondContact N-SD 2.69Å; L249-M265 VanDerWaalsContact N-SD 3.44Å; L249-I301 HydrophobicContact CD1-CD1 3.8Å; L249-V316 HydrophobicContact CD2-CB 4.4Å; L249-V316 HydrophobicContact CD2-CG1 4.24Å; L249-V316 HydrophobicContact CD2-CG2 4.35Å |
| 250 | I | 96 | Very high | 91.7 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 114.1 | 172.9 | -56.6 | 176.7 | 0 | 0 | 0 | 108.3 | V122 V179 L203 H222 R223 I257 W258 M265 | V122-I250 HydrophobicContact CG2-CB 4.24Å; V122-I250 HydrophobicContact CG2-CG2 3.54Å; V179-I250 HydrophobicContact CB-CD1 4.33Å; V179-I250 HydrophobicContact CG1-CD1 4.29Å; V179-I250 HydrophobicContact CG2-CD1 4.41Å; V179-I250 HydrophobicContact CG2-CG2 3.78Å; L203-I250 HydrophobicContact CD1-CD1 4.25Å; L203-I250 HydrophobicContact CD2-CD1 3.51Å; H222-I250 CarbonylContact O-C 3.55Å; H222-I250 WeakPolarHBondContact O-CA 3.37Å; R223-I250 HydrophobicContact CG-CG1 4.23Å; R223-I250 HydrophobicContact CG-CG2 4.28Å; I250-I257 CarbonylContact O-C 3.52Å; I250-I257 VanDerWaalsContact O-CA 3.28Å; I250-I257 WeakPolarHBondContact O-CA 3.43Å; I250-I257 WeakPolarHBondContact O-CG2 3.41Å; I250-W258 HydrophobicContact CB-CB 4.38Å; I250-W258 HydrophobicContact CB-CE3 4.41Å; I250-W258 HydrophobicContact CD1-CE3 3.83Å; I250-W258 HydrophobicContact CD1-CZ3 4.37Å; I250-W258 HydrophobicContact CG1-CE3 3.87Å; I250-W258 HydrophobicContact CG1-CZ3 4.43Å; I250-W258 PolarHBondContact N-O 2.66Å; I250-W258 PolarHBondContact O-N 3.25Å; I250-M265 HydrophobicContact CD1-CG 4.31Å; I250-M265 HydrophobicContact CD1-SD 4.5Å; I250-M265 HydrophobicContact CG1-CG 4.41Å; I250-M265 HydrophobicContact CG1-SD 3.99Å |
| 251 | L | 97.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 89.6 | 179.6 | -61.9 | 176.1 | 0 | 0 | 0 | 109.5 | I216 H222 L249 C253 I257 V311 | I216-L251 HydrophobicContact CD1-CD2 4.49Å; H222-L251 WeakPolarHBondContact CB-O 3.21Å; H222-L251 PolarHBondContact ND1-O 3.06Å; H222-L251 PolarHBondContact O-N 3.2Å; L249-L251 HydrophobicContact CD1-CD2 3.9Å; L249-L251 HydrophobicContact CD1-CG 4.47Å; L249-L251 HydrophobicContact CD2-CD1 4.32Å; L249-L251 HydrophobicContact CD2-CD2 4.03Å; L249-L251 HydrophobicContact CD2-CG 4.1Å; L249-L251 HydrophobicContact CG-CD2 4.03Å; L249-L251 HydrophobicContact CG-CG 4.09Å; L251-C253 PolarHBondContact O-N 3.38Å; L251-I257 HydrophobicContact CD2-CD1 3.8Å; L251-I257 HydrophobicContact CD2-CG1 3.87Å; L251-I257 HydrophobicContact CD2-CG2 3.94Å; L251-V311 HydrophobicContact CD2-CG1 3.99Å |
| 252 | G | 97.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -65.1 | 131.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | T120 N254 G255 Y256 | T120-G252 WeakPolarHBondContact O-CA 3.11Å; G252-N254 WeakPolarHBondContact CA-OD1 3.28Å; G252-N254 PolarHBondContact O-N 2.91Å; G252-G255 PolarHBondContact O-N 3.49Å; G252-Y256 VanDerWaalsContact CA-O 3.24Å; G252-Y256 WeakPolarHBondContact CA-O 3.5Å; G252-Y256 PolarHBondContact N-O 3.4Å | ||
| 253 | C | 96.8 | Very high | 94 | Very high | 5 Ų | 5 | 17.5 Ų | 17.5 | 3% | 0.034 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -18.9 | 175.9 | -67.7 | 0 | 0 | 0 | 0 | 112.9 | Y113 D119 T120 H222 L251 G255 | Y113-C253 WeakPolarHBondContact CD2-O 3.41Å; Y113-C253 HydrophobicContact CE2-CB 3.9Å; D119-C253 HydrophobicContact CB-CB 4.08Å; T120-C253 PolarHBondContact O-N 3.43Å; H222-C253 PolarHBondContact CE1-SG 3.28Å; L251-C253 PolarHBondContact O-N 3.38Å; C253-G255 VanDerWaalsContact C-N 3.31Å |
| 254 | N | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 3.2 | 178 | 66.1 | -40.2 | 0 | 0 | 0 | 115.4 | Y113 V121 V122 V137 N138 G252 Y256 | Y113-N254 HydrophobicContact CD1-CB 3.4Å; Y113-N254 VanDerWaalsContact CD2-CA 3.43Å; Y113-N254 HydrophobicContact CD2-CB 3.82Å; Y113-N254 HydrophobicContact CE1-CB 3.77Å; Y113-N254 HydrophobicContact CE2-CB 4.15Å; Y113-N254 VanDerWaalsContact CG-CA 3.46Å; Y113-N254 HydrophobicContact CG-CB 3.4Å; V121-N254 HydrophobicContact CG1-CB 4.15Å; V122-N254 PolarHBondContact N-OD1 2.88Å; V122-N254 PolarHBondContact O-ND2 2.98Å; V137-N254 VanDerWaalsContact C-ND2 3.31Å; V137-N254 WeakPolarHBondContact CA-ND2 3.37Å; V137-N254 WeakPolarHBondContact O-CB 3.39Å; V137-N254 PolarHBondContact O-ND2 3.32Å; N138-N254 PolarHBondContact ND2-O 2.95Å; G252-N254 WeakPolarHBondContact CA-OD1 3.28Å; G252-N254 PolarHBondContact O-N 2.91Å; N254-Y256 VanDerWaalsContact C-N 3.26Å; N254-Y256 PolarHBondContact O-N 2.95Å |
| 255 | G | 96.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.048 | C | C | . | . | S | Bend | trans | 82.3 | 1.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | I211 G252 C253 | I211-G255 WeakPolarHBondContact CG1-O 3.43Å; I211-G255 PolarHBondContact N-O 3.22Å; I211-G255 VanDerWaalsContact O-CA 3.29Å; I211-G255 WeakPolarHBondContact O-CA 3.5Å; G252-G255 PolarHBondContact O-N 3.49Å; C253-G255 VanDerWaalsContact C-N 3.31Å |
| 256 | Y | 97.8 | Very high | 92.3 | Very high | 8 Ų | 8 | 13.2 Ų | 13.2 | 3% | 0.031 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 115.4 | 168.6 | -75.3 | 5.8 | 0 | 0 | 0 | 108.5 | V122 D136 N138 L208 L209 R210 G252 N254 | V122-Y256 WeakPolarHBondContact O-CB 3.32Å; V122-Y256 VanDerWaalsContact O-CD2 3.25Å; V122-Y256 WeakPolarHBondContact O-CD2 3.4Å; D136-Y256 PolarHBondContact OD1-OH 2.88Å; D136-Y256 PolarHBondContact OD2-OH 3.19Å; N138-Y256 HydrophobicContact CB-CD1 4.15Å; N138-Y256 HydrophobicContact CB-CE1 3.63Å; N138-Y256 HydrophobicContact CB-CE2 4.4Å; L208-Y256 HydrophobicContact CD1-CG 4.44Å; L209-Y256 WeakPolarHBondContact O-CA 3.35Å; R210-Y256 HydrophobicContact CB-CD1 4.27Å; R210-Y256 HydrophobicContact CB-CE1 4.16Å; R210-Y256 HydrophobicContact CG-CD1 3.79Å; R210-Y256 HydrophobicContact CG-CE1 3.56Å; R210-Y256 PolarHBondContact NE-OH 3.34Å; G252-Y256 VanDerWaalsContact CA-O 3.24Å; G252-Y256 WeakPolarHBondContact CA-O 3.5Å; G252-Y256 PolarHBondContact N-O 3.4Å; N254-Y256 VanDerWaalsContact C-N 3.26Å; N254-Y256 PolarHBondContact O-N 2.95Å |
| 257 | I | 97.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 132.6 | 178.5 | -60.9 | 171.3 | 0 | 0 | 0 | 108 | L208 L209 I211 I216 L249 I250 L251 I301 V311 | L208-I257 CarbonylContact C-O 3.6Å; L208-I257 WeakPolarHBondContact CA-O 3.37Å; L209-I257 HydrophobicContact CB-CB 4.26Å; L209-I257 HydrophobicContact CD1-CB 4.28Å; L209-I257 HydrophobicContact CD1-CG2 4.07Å; L209-I257 PolarHBondContact N-O 3.13Å; L209-I257 PolarHBondContact O-N 3.41Å; I211-I257 HydrophobicContact CD1-CD1 3.63Å; I211-I257 HydrophobicContact CG1-CD1 3.96Å; I211-I257 HydrophobicContact CG1-CG1 4.5Å; I211-I257 HydrophobicContact CG2-CD1 4.36Å; I216-I257 HydrophobicContact CD1-CD1 3.76Å; I216-I257 HydrophobicContact CD1-CG1 3.86Å; L249-I257 HydrophobicContact CD1-CG2 3.59Å; I250-I257 CarbonylContact O-C 3.52Å; I250-I257 VanDerWaalsContact O-CA 3.28Å; I250-I257 WeakPolarHBondContact O-CA 3.43Å; I250-I257 WeakPolarHBondContact O-CG2 3.41Å; L251-I257 HydrophobicContact CD2-CD1 3.8Å; L251-I257 HydrophobicContact CD2-CG1 3.87Å; L251-I257 HydrophobicContact CD2-CG2 3.94Å; I257-I301 HydrophobicContact CD1-CG2 3.66Å; I257-I301 HydrophobicContact CG2-CD1 4.17Å; I257-V311 HydrophobicContact CD1-CG1 4.13Å |
| 258 | W | 96.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 135.3 | 168.2 | 176.2 | 93.2 | 0 | 0 | 0 | 109.4 | V122 L203 G205 C207 I250 A264 M265 | V122-W258 HydrophobicContact CG1-CB 4.38Å; V122-W258 HydrophobicContact CG2-CB 4.47Å; L203-W258 HydrophobicContact CD1-CB 3.9Å; L203-W258 HydrophobicContact CD1-CD2 4.27Å; L203-W258 HydrophobicContact CD1-CG 3.77Å; L203-W258 HydrophobicContact CD2-CD2 4.29Å; G205-W258 PolarHBondContact O-NE1 3.15Å; C207-W258 WeakPolarHBondContact O-CA 3.45Å; I250-W258 HydrophobicContact CB-CB 4.38Å; I250-W258 HydrophobicContact CB-CE3 4.41Å; I250-W258 HydrophobicContact CD1-CE3 3.83Å; I250-W258 HydrophobicContact CD1-CZ3 4.37Å; I250-W258 HydrophobicContact CG1-CE3 3.87Å; I250-W258 HydrophobicContact CG1-CZ3 4.43Å; I250-W258 PolarHBondContact N-O 2.66Å; I250-W258 PolarHBondContact O-N 3.25Å; W258-A264 HydrophobicContact CH2-CB 3.75Å; W258-A264 HydrophobicContact CZ2-CB 3.73Å; W258-M265 HydrophobicContact CE3-CG 4.23Å; W258-M265 HydrophobicContact CH2-CG 3.78Å; W258-M265 HydrophobicContact CZ3-CG 3.28Å; W258-M265 HydrophobicContact CZ3-SD 3.98Å |
| 259 | T | 95.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 138.3 | 169.9 | -176.1 | 0 | 0 | 0 | 0 | 110.6 | G206 C207 L209 V247 G248 V294 R298 | G206-T259 CarbonylContact C-O 3.59Å; G206-T259 WeakPolarHBondContact CA-O 3.4Å; C207-T259 PolarHBondContact N-O 2.81Å; C207-T259 PolarHBondContact O-N 3.2Å; C207-T259 WeakPolarHBondContact SG-CG2 3.46Å; L209-T259 HydrophobicContact CD1-CG2 3.72Å; V247-T259 WeakPolarHBondContact CG1-OG1 3.46Å; G248-T259 WeakPolarHBondContact O-CA 3.46Å; G248-T259 PolarHBondContact O-OG1 3.06Å; G248-T259 VanDerWaalsContact O-OG1 3.05Å; T259-V294 HydrophobicContact CG2-CG1 4.18Å; T259-R298 HydrophobicContact CG2-CB 4.3Å |
| 260 | G | 93.7 | Very high | 84.7 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.8 | -169.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G248 A262 | G248-G260 PolarHBondContact N-O 3.34Å; G248-G260 PolarHBondContact O-N 2.92Å; G248-G260 VanDerWaalsContact O-N 3.08Å; G260-A262 PolarHBondContact O-N 2.89Å |
| 261 | P | 90.5 | Very high | 83.3 | Confident | 13 Ų | 13 | 23 Ų | 23 | 8% | 0.084 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -50.3 | 132.5 | 171.3 | -30.5 | 39 | 0 | 0 | 0 | 111.9 | R263 A264 E290 | P261-R263 HydrophobicContact CB-CG 3.95Å; P261-R263 PolarHBondContact O-N 3.35Å; P261-A264 HydrophobicContact CB-CB 4.37Å; P261-A264 VanDerWaalsContact O-CB 3.31Å; P261-A264 WeakPolarHBondContact O-CB 3.44Å; P261-A264 PolarHBondContact O-N 3.41Å; P261-E290 WeakPolarHBondContact CA-OE1 3.46Å; P261-E290 WeakPolarHBondContact CB-OE1 3.2Å; P261-E290 HydrophobicContact CG-CG 4.35Å; P261-E290 WeakPolarHBondContact CG-OE2 3.38Å |
| 262 | A | 89 | Confident | 81.5 | Confident | 3 Ų | 3 | 27.4 Ų | 27.4 | 3% | 0.025 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -64.9 | -24.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R225 S246 G260 A264 M265 | R225-A262 HydrophobicContact CG-CB 3.91Å; R225-A262 PolarHBondContact NH2-O 2.95Å; S246-A262 WeakPolarHBondContact O-CB 3.48Å; S246-A262 PolarHBondContact O-N 3.1Å; G260-A262 PolarHBondContact O-N 2.89Å; A262-A264 PolarHBondContact O-N 3.04Å; A262-M265 HydrophobicContact CB-CE 4.36Å; A262-M265 PolarHBondContact O-N 2.7Å |
| 263 | R | 84 | Confident | 79.5 | Confident | 66 Ų | 66 | 28.9 Ų | 28.9 | 25% | 0.249 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -62.7 | -28.6 | 171.8 | 64.4 | -178.6 | 174.2 | -71.4 | -9 | 112.8 | P261 M265 D266 E290 | P261-R263 HydrophobicContact CB-CG 3.95Å; P261-R263 PolarHBondContact O-N 3.35Å; R263-M265 PolarHBondContact O-N 3.38Å; R263-D266 PolarHBondContact O-N 2.92Å; R263-E290 IonicContact CZ-OE1 2.83Å; R263-E290 IonicContact CZ-OE2 3.06Å; R263-E290 VanDerWaalsContact CZ-OE2 3.26Å; R263-E290 IonicContact NH1-OE1 3.27Å; R263-E290 PolarHBondContact NH1-OE1 3.42Å; R263-E290 IonicContact NH1-OE2 2.78Å; R263-E290 PolarHBondContact NH1-OE2 2.72Å; R263-E290 IonicContact NH2-OE1 3.44Å; R263-E290 IonicContact NH2-OE2 3.74Å; R263-E290 PolarHBondContact NH2-OE2 2.83Å |
| 264 | A | 82.8 | Confident | 77.6 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -73.1 | -12.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | G204 W258 P261 A262 V275 | G204-A264 VanDerWaalsContact O-CB 3.26Å; G204-A264 WeakPolarHBondContact O-CB 3.22Å; W258-A264 HydrophobicContact CH2-CB 3.75Å; W258-A264 HydrophobicContact CZ2-CB 3.73Å; P261-A264 HydrophobicContact CB-CB 4.37Å; P261-A264 VanDerWaalsContact O-CB 3.31Å; P261-A264 WeakPolarHBondContact O-CB 3.44Å; P261-A264 PolarHBondContact O-N 3.41Å; A262-A264 PolarHBondContact O-N 3.04Å; A264-V275 HydrophobicContact CB-CG2 3.37Å |
| 265 | M | 80.7 | Confident | 75.6 | Confident | 30 Ų | 30 | 31.4 Ų | 31.4 | 15% | 0.148 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -87.8 | -11.5 | 172.3 | -64.8 | -167.5 | -54.4 | 0 | 0 | 114 | H224 R225 G248 L249 I250 W258 A262 R263 I267 | H224-M265 WeakPolarHBondContact O-CE 3.21Å; R225-M265 HydrophobicContact CB-CE 4.08Å; G248-M265 WeakPolarHBondContact CA-SD 3.45Å; L249-M265 PolarHBondContact N-SD 2.69Å; L249-M265 VanDerWaalsContact N-SD 3.44Å; I250-M265 HydrophobicContact CD1-CG 4.31Å; I250-M265 HydrophobicContact CD1-SD 4.5Å; I250-M265 HydrophobicContact CG1-CG 4.41Å; I250-M265 HydrophobicContact CG1-SD 3.99Å; W258-M265 HydrophobicContact CE3-CG 4.23Å; W258-M265 HydrophobicContact CH2-CG 3.78Å; W258-M265 HydrophobicContact CZ3-CG 3.28Å; W258-M265 HydrophobicContact CZ3-SD 3.98Å; A262-M265 HydrophobicContact CB-CE 4.36Å; A262-M265 PolarHBondContact O-N 2.7Å; R263-M265 PolarHBondContact O-N 3.38Å; M265-I267 WeakPolarHBondContact O-CD1 3.46Å; M265-I267 VanDerWaalsContact O-CG1 3.27Å; M265-I267 WeakPolarHBondContact O-CG1 3.49Å; M265-I267 PolarHBondContact O-N 3.05Å |
| 266 | D | 71.4 | Confident | 73.7 | Confident | 102 Ų | 102 | 39 Ų | 39 | 55% | 0.545 | 23% | 0.227 | S | C | . | . | trans | -77 | 66.6 | 179.7 | -64.2 | -29.5 | 0 | 0 | 0 | 108.8 | R225 R263 G268 | R225-D266 IonicContact NH2-OD1 3.13Å; R225-D266 PolarHBondContact NH2-OD1 3.19Å; R225-D266 IonicContact NH2-OD2 2.69Å; R225-D266 PolarHBondContact NH2-OD2 2.97Å; R263-D266 PolarHBondContact O-N 2.92Å; D266-G268 PolarHBondContact O-N 3.14Å | ||
| 267 | I | 62.6 | Low | 71.6 | Confident | 11 Ų | 11 | 42.2 Ų | 42.2 | 6% | 0.056 | 26% | 0.255 | C | S | . | . | trans | -83.5 | 6.6 | -166.6 | -65.7 | 156.9 | 0 | 0 | 0 | 111.7 | V179 T200 L203 M265 L269 | V179-I267 HydrophobicContact CG1-CD1 3.78Å; T200-I267 VanDerWaalsContact C-CG2 3.47Å; T200-I267 VanDerWaalsContact O-CG2 3.3Å; T200-I267 WeakPolarHBondContact O-CG2 3.46Å; L203-I267 HydrophobicContact CD2-CD1 3.47Å; L203-I267 VanDerWaalsContact CD2-CD1 3.47Å; L203-I267 HydrophobicContact CD2-CG1 4.48Å; M265-I267 WeakPolarHBondContact O-CD1 3.46Å; M265-I267 VanDerWaalsContact O-CG1 3.27Å; M265-I267 WeakPolarHBondContact O-CG1 3.49Å; M265-I267 PolarHBondContact O-N 3.05Å; I267-L269 VanDerWaalsContact C-N 3.28Å; I267-L269 PolarHBondContact O-N 3.4Å | ||
| 268 | G | 50.9 | Low | 69.7 | Low | 38 Ų | 38 | 45.9 Ų | 45.9 | 39% | 0.392 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -3.3 | -164.3 | 0 | 0 | 0 | 0 | 0 | 118 | G197 D266 | G197-G268 WeakPolarHBondContact O-CA 3.44Å; D266-G268 PolarHBondContact O-N 3.14Å |
| 269 | L | 48.5 | Very low | 68 | Low | 174 Ų | 174 | 49.3 Ų | 49.3 | 91% | 0.911 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.6 | 1.1 | -168.6 | -72.8 | 168.7 | 0 | 0 | 0 | 116.3 | I267 | I267-L269 VanDerWaalsContact C-N 3.28Å; I267-L269 PolarHBondContact O-N 3.4Å |
| 270 | G | 56.6 | Low | 66.3 | Low | 26 Ų | 26 | 56.4 Ų | 56.4 | 27% | 0.268 | 33% | 0.33 | S | S | . | . | trans | -178.1 | 157.5 | 177 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 271 | L | 65.7 | Low | 64.9 | Low | 7 Ų | 7 | 62 Ų | 62 | 4% | 0.037 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -78.4 | -3.4 | 166 | -64.9 | 170 | 0 | 0 | 0 | 112.1 | V150 L152 F171 M172 M195 K202 | V150-L271 HydrophobicContact CG1-CD1 3.65Å; V150-L271 HydrophobicContact CG1-CD2 3.91Å; V150-L271 HydrophobicContact CG1-CG 4.33Å; L152-L271 HydrophobicContact CD2-CD1 3.68Å; F171-L271 HydrophobicContact CB-CB 4.21Å; F171-L271 HydrophobicContact CB-CD1 3.72Å; F171-L271 HydrophobicContact CD1-CB 4.41Å; F171-L271 HydrophobicContact CD1-CD1 4.04Å; F171-L271 HydrophobicContact CG-CD1 3.93Å; M172-L271 HydrophobicContact CE-CD2 4.4Å; M172-L271 HydrophobicContact SD-CD2 4.14Å; M195-L271 HydrophobicContact CE-CD2 4.31Å; K202-L271 VanDerWaalsContact CD-O 3.3Å; K202-L271 WeakPolarHBondContact CD-O 3.25Å |
| 272 | S | 59.3 | Low | 63.9 | Low | 93 Ų | 93 | 62.8 Ų | 62.8 | 65% | 0.65 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -74.1 | 126.2 | 170.2 | -54.1 | 0 | 0 | 0 | 0 | 108.9 | P274 | S272-P274 VanDerWaalsContact O-CD 3.28Å; S272-P274 WeakPolarHBondContact O-CD 3.43Å |
| 273 | A | 55.5 | Low | 63.5 | Low | 30 Ų | 30 | 68.3 Ų | 68.3 | 25% | 0.248 | 40% | 0.402 | C | S | . | . | trans | -62.2 | 118 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | K202 V275 | K202-A273 HydrophobicContact CD-CB 4.37Å; A273-V275 PolarHBondContact O-N 3.31Å | ||
| 274 | P | 56.5 | Low | 63.5 | Low | 47 Ų | 47 | 73.5 Ų | 73.5 | 31% | 0.305 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -15.1 | -172.5 | 15.7 | -22.1 | 0 | 0 | 0 | 113.6 | S272 E276 | S272-P274 VanDerWaalsContact O-CD 3.28Å; S272-P274 WeakPolarHBondContact O-CD 3.43Å; P274-E276 PolarHBondContact O-N 2.93Å |
| 275 | V | 56.5 | Low | 63.5 | Low | 12 Ų | 12 | 76.7 Ų | 76.7 | 7% | 0.073 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -78 | -22.5 | -166.2 | -173.8 | 0 | 0 | 0 | 0 | 113.8 | G204 A264 A273 A277 L279 | G204-V275 WeakPolarHBondContact O-CG2 3.23Å; A264-V275 HydrophobicContact CB-CG2 3.37Å; A273-V275 PolarHBondContact O-N 3.31Å; V275-A277 VanDerWaalsContact C-N 3.33Å; V275-A277 PolarHBondContact O-N 3.49Å; V275-L279 HydrophobicContact CG1-CD1 4.45Å; V275-L279 WeakPolarHBondContact O-CG 3.49Å |
| 276 | E | 56.9 | Low | 63.7 | Low | 159 Ų | 159 | 80.5 Ų | 80.5 | 74% | 0.743 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -73.5 | -24.3 | -175.8 | -64.7 | -163.1 | 175.1 | 0 | 0 | 113.6 | P274 | P274-E276 PolarHBondContact O-N 2.93Å |
| 277 | A | 52 | Low | 64.4 | Low | 75 Ų | 75 | 77 Ų | 77 | 62% | 0.62 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -76.3 | -36.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V275 | V275-A277 VanDerWaalsContact C-N 3.33Å; V275-A277 PolarHBondContact O-N 3.49Å |
| 278 | D | 57.6 | Low | 65.7 | Low | 77 Ų | 77 | 80.1 Ų | 80.1 | 41% | 0.412 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -88 | -11.4 | -171.3 | -68.5 | -17.1 | 0 | 0 | 0 | 114 | N280 T281 A282 | D278-N280 PolarHBondContact O-N 2.93Å; D278-T281 PolarHBondContact O-N 3.41Å; D278-T281 PolarHBondContact O-OG1 3.47Å; D278-A282 PolarHBondContact O-N 3.09Å |
| 279 | L | 62.6 | Low | 67.5 | Low | 72 Ų | 72 | 78.3 Ų | 78.3 | 38% | 0.377 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -23.8 | -179.6 | -70.5 | 172.2 | 0 | 0 | 0 | 112.7 | V275 T281 L287 | V275-L279 HydrophobicContact CG1-CD1 4.45Å; V275-L279 WeakPolarHBondContact O-CG 3.49Å; L279-T281 VanDerWaalsContact C-N 3.32Å; L279-L287 HydrophobicContact CD2-CD1 4.44Å; L279-L287 HydrophobicContact CD2-CD2 4.01Å |
| 280 | N | 60.2 | Low | 69.5 | Low | 149 Ų | 149 | 71.1 Ų | 71.1 | 80% | 0.797 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -12.9 | -177.8 | -67.9 | -25.3 | 0 | 0 | 0 | 113.6 | D278 | D278-N280 PolarHBondContact O-N 2.93Š|
| 281 | T | 63.5 | Low | 71.2 | Confident | 117 Ų | 117 | 77.5 Ų | 77.5 | 72% | 0.718 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113 | -14.5 | -176.1 | 42.6 | 0 | 0 | 0 | 0 | 113.7 | D278 L279 | D278-T281 PolarHBondContact O-N 3.41Å; D278-T281 PolarHBondContact O-OG1 3.47Å; L279-T281 VanDerWaalsContact C-N 3.32Å |
| 282 | A | 69.1 | Low | 72.4 | Confident | 30 Ų | 30 | 77.5 Ų | 77.5 | 25% | 0.248 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -81.5 | 135.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D278 L287 | D278-A282 PolarHBondContact O-N 3.09Å; A282-L287 HydrophobicContact CB-CD1 4.09Å; A282-L287 HydrophobicContact CB-CD2 3.78Å; A282-L287 HydrophobicContact CB-CG 3.8Å |
| 283 | N | 80.9 | Confident | 74 | Confident | 120 Ų | 120 | 73.1 Ų | 73.1 | 64% | 0.642 | 40% | 0.395 | S | S | * | . | trans | -64 | 138.6 | 173.9 | -71.7 | -24.3 | 0 | 0 | 0 | 110.3 | S285 E286 L287 | N283-S285 PolarHBondContact O-N 3.15Å; N283-S285 VanDerWaalsContact O-N 3.15Å; N283-E286 HydrophobicContact CB-CB 4.44Å; N283-E286 WeakPolarHBondContact O-CB 3.23Å; N283-E286 PolarHBondContact O-N 3.26Å; N283-L287 PolarHBondContact O-N 3.05Å; N283-L287 VanDerWaalsContact O-N 3.15Å | ||
| 284 | E | 83.6 | Confident | 75.9 | Confident | 175 Ų | 175 | 72.3 Ų | 72.3 | 82% | 0.818 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -54.8 | -38 | -178.2 | -66.4 | -175.1 | 158 | 0 | 0 | 113.1 | E286 L287 L288 | E284-E286 VanDerWaalsContact C-N 3.34Å; E284-E286 PolarHBondContact O-N 2.89Å; E284-L287 PolarHBondContact O-N 3.39Å; E284-L288 WeakPolarHBondContact O-CB 3.4Å; E284-L288 PolarHBondContact O-N 3.05Å |
| 285 | S | 83.7 | Confident | 77.7 | Confident | 67 Ų | 67 | 72.6 Ų | 72.6 | 47% | 0.469 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.4 | -37 | 176.3 | 177.3 | 0 | 0 | 0 | 0 | 112.8 | R230 N283 L288 A289 | R230-S285 PolarHBondContact NH2-O 2.64Å; N283-S285 PolarHBondContact O-N 3.15Å; N283-S285 VanDerWaalsContact O-N 3.15Å; S285-L288 PolarHBondContact O-N 2.89Å; S285-A289 WeakPolarHBondContact O-CB 3.45Å; S285-A289 PolarHBondContact O-N 3.23Å |
| 286 | E | 85.3 | Confident | 79.5 | Confident | 109 Ų | 109 | 72.2 Ų | 72.2 | 51% | 0.509 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -69.3 | -42.6 | 176.9 | -170 | 176.2 | -178.8 | 0 | 0 | 111.3 | N283 E284 L288 A289 E290 | N283-E286 HydrophobicContact CB-CB 4.44Å; N283-E286 WeakPolarHBondContact O-CB 3.23Å; N283-E286 PolarHBondContact O-N 3.26Å; E284-E286 VanDerWaalsContact C-N 3.34Å; E284-E286 PolarHBondContact O-N 2.89Å; E286-L288 VanDerWaalsContact C-N 3.33Å; E286-L288 PolarHBondContact O-N 3.38Å; E286-A289 PolarHBondContact O-N 2.94Å; E286-E290 WeakPolarHBondContact O-CB 3.32Å; E286-E290 PolarHBondContact O-N 2.94Å |
| 287 | L | 86.2 | Confident | 81.4 | Confident | 28 Ų | 28 | 64.6 Ų | 64.6 | 15% | 0.147 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.7 | -37.9 | 175 | -66.7 | 176.2 | 0 | 0 | 0 | 112.1 | L279 A282 N283 E284 R291 | L279-L287 HydrophobicContact CD2-CD1 4.44Å; L279-L287 HydrophobicContact CD2-CD2 4.01Å; A282-L287 HydrophobicContact CB-CD1 4.09Å; A282-L287 HydrophobicContact CB-CD2 3.78Å; A282-L287 HydrophobicContact CB-CG 3.8Å; N283-L287 PolarHBondContact O-N 3.05Å; N283-L287 VanDerWaalsContact O-N 3.15Å; E284-L287 PolarHBondContact O-N 3.39Å; L287-R291 VanDerWaalsContact O-CG 3.23Å; L287-R291 WeakPolarHBondContact O-CG 3.45Å; L287-R291 PolarHBondContact O-N 3.35Å |
| 288 | L | 88 | Confident | 83.5 | Confident | 78 Ų | 78 | 65.3 Ų | 65.3 | 41% | 0.408 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65 | -49.8 | 176.6 | 179.1 | 61.9 | 0 | 0 | 0 | 111.2 | E284 S285 E286 E290 R291 I292 | E284-L288 WeakPolarHBondContact O-CB 3.4Å; E284-L288 PolarHBondContact O-N 3.05Å; S285-L288 PolarHBondContact O-N 2.89Å; E286-L288 VanDerWaalsContact C-N 3.33Å; E286-L288 PolarHBondContact O-N 3.38Å; L288-E290 VanDerWaalsContact C-N 3.27Å; L288-E290 PolarHBondContact O-N 2.76Å; L288-R291 WeakPolarHBondContact O-CB 3.2Å; L288-R291 PolarHBondContact O-N 2.99Å; L288-R291 VanDerWaalsContact O-N 3.15Å; L288-I292 HydrophobicContact CD1-CD1 4.33Å; L288-I292 HydrophobicContact CG-CD1 4.08Å; L288-I292 WeakPolarHBondContact O-CG1 3.35Å; L288-I292 PolarHBondContact O-N 2.9Å |
| 289 | A | 89.9 | Confident | 85.3 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61 | -38.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | R230 M231 I245 S285 E286 I292 A293 | R230-A289 HydrophobicContact CG-CB 4.37Å; M231-A289 WeakPolarHBondContact O-CA 3.3Å; I245-A289 HydrophobicContact CD1-CB 3.57Å; I245-A289 VanDerWaalsContact CD1-O 3.23Å; I245-A289 WeakPolarHBondContact CD1-O 3.44Å; S285-A289 WeakPolarHBondContact O-CB 3.45Å; S285-A289 PolarHBondContact O-N 3.23Å; E286-A289 PolarHBondContact O-N 2.94Å; A289-I292 PolarHBondContact O-N 3.03Å; A289-A293 PolarHBondContact O-N 2.95Å |
| 290 | E | 90.1 | Very high | 86.9 | Confident | 22 Ų | 22 | 58.7 Ų | 58.7 | 10% | 0.103 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 174.8 | -176.4 | 173.7 | -125 | 0 | 0 | 112.5 | I245 P261 R263 E286 L288 I292 A293 V294 | I245-E290 HydrophobicContact CG2-CB 4.28Å; I245-E290 HydrophobicContact CG2-CG 4.21Å; P261-E290 WeakPolarHBondContact CA-OE1 3.46Å; P261-E290 WeakPolarHBondContact CB-OE1 3.2Å; P261-E290 HydrophobicContact CG-CG 4.35Å; P261-E290 WeakPolarHBondContact CG-OE2 3.38Å; R263-E290 IonicContact CZ-OE1 2.83Å; R263-E290 IonicContact CZ-OE2 3.06Å; R263-E290 VanDerWaalsContact CZ-OE2 3.26Å; R263-E290 IonicContact NH1-OE1 3.27Å; R263-E290 PolarHBondContact NH1-OE1 3.42Å; R263-E290 IonicContact NH1-OE2 2.78Å; R263-E290 PolarHBondContact NH1-OE2 2.72Å; R263-E290 IonicContact NH2-OE1 3.44Å; R263-E290 IonicContact NH2-OE2 3.74Å; R263-E290 PolarHBondContact NH2-OE2 2.83Å; E286-E290 WeakPolarHBondContact O-CB 3.32Å; E286-E290 PolarHBondContact O-N 2.94Å; L288-E290 VanDerWaalsContact C-N 3.27Å; L288-E290 PolarHBondContact O-N 2.76Å; E290-I292 VanDerWaalsContact C-N 3.32Å; E290-I292 PolarHBondContact O-N 3.36Å; E290-A293 PolarHBondContact O-N 3.11Å; E290-V294 HydrophobicContact CG-CG2 4.5Å; E290-V294 VanDerWaalsContact O-CG2 3.32Å; E290-V294 WeakPolarHBondContact O-CG2 3.28Å; E290-V294 PolarHBondContact O-N 2.7Å |
| 291 | R | 91.5 | Very high | 88.7 | Confident | 160 Ų | 160 | 51.6 Ų | 51.6 | 60% | 0.604 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -61.2 | -41.8 | 175.3 | -74 | 170.7 | -171.8 | -80.5 | 1.5 | 111.6 | L287 L288 V294 C295 | L287-R291 VanDerWaalsContact O-CG 3.23Å; L287-R291 WeakPolarHBondContact O-CG 3.45Å; L287-R291 PolarHBondContact O-N 3.35Å; L288-R291 WeakPolarHBondContact O-CB 3.2Å; L288-R291 PolarHBondContact O-N 2.99Å; L288-R291 VanDerWaalsContact O-N 3.15Å; R291-V294 PolarHBondContact O-N 3.08Å; R291-C295 WeakPolarHBondContact O-CB 3.31Å; R291-C295 PolarHBondContact O-N 2.9Å; R291-C295 PolarHBondContact O-SG 2.89Å |
| 292 | I | 91.6 | Very high | 90.2 | Very high | 7 Ų | 7 | 47.4 Ų | 47.4 | 4% | 0.036 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.8 | -47.5 | 175.6 | -73.8 | 166.4 | 0 | 0 | 0 | 110.5 | M231 L234 L288 A289 E290 C295 R296 I358 | M231-I292 HydrophobicContact CB-CG2 3.91Å; M231-I292 HydrophobicContact CG-CG2 4.21Å; M231-I292 WeakPolarHBondContact O-CD1 3.48Å; M231-I292 HydrophobicContact SD-CG2 4.15Å; L234-I292 HydrophobicContact CD1-CD1 3.7Å; L234-I292 HydrophobicContact CD1-CG1 3.86Å; L234-I292 HydrophobicContact CG-CD1 4.39Å; L234-I292 HydrophobicContact CG-CG1 4.44Å; L288-I292 HydrophobicContact CD1-CD1 4.33Å; L288-I292 HydrophobicContact CG-CD1 4.08Å; L288-I292 WeakPolarHBondContact O-CG1 3.35Å; L288-I292 PolarHBondContact O-N 2.9Å; A289-I292 PolarHBondContact O-N 3.03Å; E290-I292 VanDerWaalsContact C-N 3.32Å; E290-I292 PolarHBondContact O-N 3.36Å; I292-C295 PolarHBondContact O-N 2.89Å; I292-R296 WeakPolarHBondContact O-CB 3.45Å; I292-R296 PolarHBondContact O-N 2.92Å; I292-I358 HydrophobicContact CB-CD1 4.03Å; I292-I358 HydrophobicContact CG1-CD1 3.97Å; I292-I358 HydrophobicContact CG2-CD1 3.58Å; I292-I358 HydrophobicContact CG2-CG1 4.48Å |
| 293 | A | 93.1 | Very high | 91.5 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 2% | 0.017 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.1 | -45.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I228 I245 V247 A289 E290 C295 R296 V297 | I228-A293 HydrophobicContact CB-CB 4.19Å; I228-A293 HydrophobicContact CG2-CB 4.02Å; I245-A293 HydrophobicContact CB-CB 4.14Å; I245-A293 HydrophobicContact CD1-CB 4.25Å; I245-A293 HydrophobicContact CG2-CB 4.02Å; V247-A293 HydrophobicContact CG2-CB 3.66Å; A289-A293 PolarHBondContact O-N 2.95Å; E290-A293 PolarHBondContact O-N 3.11Å; A293-C295 PolarHBondContact O-N 2.8Å; A293-R296 PolarHBondContact O-N 3.35Å; A293-V297 WeakPolarHBondContact O-CG2 3.35Å; A293-V297 PolarHBondContact O-N 2.87Å; A293-V297 VanDerWaalsContact O-N 3.09Å |
| 294 | V | 94.6 | Very high | 92.2 | Very high | 12 Ų | 12 | 40.4 Ų | 40.4 | 7% | 0.073 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.2 | -43.8 | 176.1 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | V247 T259 E290 R291 R296 V297 R298 | V247-V294 HydrophobicContact CG1-CG2 4.12Å; V247-V294 HydrophobicContact CG2-CG2 4.3Å; T259-V294 HydrophobicContact CG2-CG1 4.18Å; E290-V294 HydrophobicContact CG-CG2 4.5Å; E290-V294 VanDerWaalsContact O-CG2 3.32Å; E290-V294 WeakPolarHBondContact O-CG2 3.28Å; E290-V294 PolarHBondContact O-N 2.7Å; R291-V294 PolarHBondContact O-N 3.08Å; V294-R296 PolarHBondContact O-N 3.1Å; V294-V297 PolarHBondContact O-N 3.35Å; V294-R298 WeakPolarHBondContact O-CB 3.25Å; V294-R298 PolarHBondContact O-N 2.89Å |
| 295 | C | 94.3 | Very high | 92.8 | Very high | 54 Ų | 54 | 33.1 Ų | 33.1 | 37% | 0.365 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -64.6 | -38.1 | 177.9 | -75 | 0 | 0 | 0 | 0 | 112.6 | R291 I292 A293 R298 N299 I358 | R291-C295 WeakPolarHBondContact O-CB 3.31Å; R291-C295 PolarHBondContact O-N 2.9Å; R291-C295 PolarHBondContact O-SG 2.89Å; I292-C295 PolarHBondContact O-N 2.89Å; A293-C295 PolarHBondContact O-N 2.8Å; C295-R298 WeakPolarHBondContact O-CB 3.45Å; C295-R298 PolarHBondContact O-N 2.72Å; C295-N299 WeakPolarHBondContact O-CB 3.39Å; C295-N299 VanDerWaalsContact O-CG 3.3Å; C295-N299 PolarHBondContact O-N 2.8Å; C295-N299 PolarHBondContact O-OD1 2.93Å; C295-I358 HydrophobicContact CB-CG2 3.94Å |
| 296 | R | 94.2 | Very high | 93.3 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 1% | 0.011 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.9 | -47.9 | 175.2 | -175.9 | -178.9 | -68.5 | -108.9 | 0.4 | 111.3 | M231 I292 A293 V294 R298 N299 C300 S323 D327 L361 | M231-R296 PolarHBondContact SD-NH2 3.39Å; I292-R296 WeakPolarHBondContact O-CB 3.45Å; I292-R296 PolarHBondContact O-N 2.92Å; A293-R296 PolarHBondContact O-N 3.35Å; V294-R296 PolarHBondContact O-N 3.1Å; R296-R298 VanDerWaalsContact C-N 3.34Å; R296-R298 PolarHBondContact O-N 2.84Å; R296-N299 PolarHBondContact O-N 3.37Å; R296-C300 WeakPolarHBondContact O-CB 3.43Å; R296-C300 PolarHBondContact O-N 2.87Å; R296-C300 PolarHBondContact O-SG 2.7Å; R296-S323 PolarHBondContact NH1-OG 2.81Å; R296-D327 IonicContact CZ-OD2 3.65Å; R296-D327 IonicContact NH1-OD2 2.73Å; R296-D327 PolarHBondContact NH1-OD2 2.98Å; R296-D327 IonicContact NH2-OD2 3.1Å; R296-D327 PolarHBondContact NH2-OD2 3.43Å; R296-L361 HydrophobicContact CG-CD1 4.3Å |
| 297 | V | 96.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.8 | -47.2 | 175.8 | 172.9 | 0 | 0 | 0 | 0 | 110.5 | L226 I228 V247 A293 V294 N299 C300 I301 V316 | L226-V297 HydrophobicContact CD1-CG1 4.1Å; L226-V297 HydrophobicContact CD1-CG2 4.2Å; I228-V297 HydrophobicContact CD1-CG2 3.8Å; I228-V297 HydrophobicContact CG1-CG2 3.86Å; V247-V297 HydrophobicContact CB-CG2 4.45Å; V247-V297 HydrophobicContact CG1-CB 4.44Å; V247-V297 HydrophobicContact CG1-CG2 4.06Å; A293-V297 WeakPolarHBondContact O-CG2 3.35Å; A293-V297 PolarHBondContact O-N 2.87Å; A293-V297 VanDerWaalsContact O-N 3.09Å; V294-V297 PolarHBondContact O-N 3.35Å; V297-N299 PolarHBondContact O-N 2.86Å; V297-C300 PolarHBondContact O-N 2.89Å; V297-I301 HydrophobicContact CG1-CD1 3.8Å; V297-I301 WeakPolarHBondContact O-CD1 3.42Å; V297-I301 VanDerWaalsContact O-CG1 3.3Å; V297-I301 WeakPolarHBondContact O-CG1 3.38Å; V297-I301 PolarHBondContact O-N 3.25Å; V297-V316 HydrophobicContact CG1-CG1 4.04Å |
| 298 | R | 96.5 | Very high | 94 | Very high | 90 Ų | 90 | 35.5 Ų | 35.5 | 34% | 0.34 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -54.4 | -50.1 | 176 | -179.5 | -165.4 | 174.3 | -90.8 | 1.6 | 111.7 | L209 T259 V294 C295 R296 I301 L302 | L209-R298 HydrophobicContact CD1-CG 4.29Å; L209-R298 HydrophobicContact CD2-CB 4.4Å; L209-R298 HydrophobicContact CD2-CG 3.62Å; L209-R298 HydrophobicContact CG-CG 4.07Å; T259-R298 HydrophobicContact CG2-CB 4.3Å; V294-R298 WeakPolarHBondContact O-CB 3.25Å; V294-R298 PolarHBondContact O-N 2.89Å; C295-R298 WeakPolarHBondContact O-CB 3.45Å; C295-R298 PolarHBondContact O-N 2.72Å; R296-R298 VanDerWaalsContact C-N 3.34Å; R296-R298 PolarHBondContact O-N 2.84Å; R298-I301 PolarHBondContact O-N 3.48Å; R298-L302 WeakPolarHBondContact O-CG 3.3Å; R298-L302 PolarHBondContact O-N 3.01Å |
| 299 | N | 96 | Very high | 94.3 | Very high | 9 Ų | 9 | 32.6 Ų | 32.6 | 5% | 0.048 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -70.5 | -35.1 | -176.5 | -69.7 | 1.2 | 0 | 0 | 0 | 112 | C295 R296 V297 I301 L302 A303 I358 L361 L362 | C295-N299 WeakPolarHBondContact O-CB 3.39Å; C295-N299 VanDerWaalsContact O-CG 3.3Å; C295-N299 PolarHBondContact O-N 2.8Å; C295-N299 PolarHBondContact O-OD1 2.93Å; R296-N299 PolarHBondContact O-N 3.37Å; V297-N299 PolarHBondContact O-N 2.86Å; N299-I301 PolarHBondContact O-N 3.46Å; N299-L302 PolarHBondContact O-N 2.88Å; N299-A303 WeakPolarHBondContact O-CB 2.96Å; N299-A303 PolarHBondContact O-N 3.45Å; N299-I358 WeakPolarHBondContact ND2-CG2 3.3Å; N299-I358 PolarHBondContact ND2-O 3.2Å; N299-L361 HydrophobicContact CB-CB 4.01Å; N299-L361 HydrophobicContact CB-CD1 4.28Å; N299-L362 HydrophobicContact CB-CD2 4Å; N299-L362 HydrophobicContact CB-CG 4.42Å |
| 300 | C | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.6 | -44 | 171.4 | -69.1 | 0 | 0 | 0 | 0 | 111.6 | R296 V297 L302 A303 L304 A319 | R296-C300 WeakPolarHBondContact O-CB 3.43Å; R296-C300 PolarHBondContact O-N 2.87Å; R296-C300 PolarHBondContact O-SG 2.7Å; V297-C300 PolarHBondContact O-N 2.89Å; C300-L302 VanDerWaalsContact C-N 3.33Å; C300-L302 PolarHBondContact O-N 3.35Å; C300-A303 PolarHBondContact O-N 3.03Å; C300-L304 VanDerWaalsContact O-CG 3.27Å; C300-L304 WeakPolarHBondContact O-CG 3.33Å; C300-L304 PolarHBondContact O-N 3.35Å; C300-A319 HydrophobicContact CB-CB 3.87Å |
| 301 | I | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.9 | -42.2 | 176.9 | -67.6 | 161.2 | 0 | 0 | 0 | 111.1 | L209 L249 I257 V297 R298 N299 L304 T305 V311 V316 | L209-I301 HydrophobicContact CD1-CD1 4.48Å; L209-I301 HydrophobicContact CD2-CB 4.17Å; L209-I301 HydrophobicContact CD2-CG2 3.97Å; L249-I301 HydrophobicContact CD1-CD1 3.8Å; I257-I301 HydrophobicContact CD1-CG2 3.66Å; I257-I301 HydrophobicContact CG2-CD1 4.17Å; V297-I301 HydrophobicContact CG1-CD1 3.8Å; V297-I301 WeakPolarHBondContact O-CD1 3.42Å; V297-I301 VanDerWaalsContact O-CG1 3.3Å; V297-I301 WeakPolarHBondContact O-CG1 3.38Å; V297-I301 PolarHBondContact O-N 3.25Å; R298-I301 PolarHBondContact O-N 3.48Å; N299-I301 PolarHBondContact O-N 3.46Å; I301-L304 PolarHBondContact O-N 3.15Å; I301-T305 WeakPolarHBondContact O-CB 3.3Å; I301-T305 PolarHBondContact O-N 3.48Å; I301-T305 PolarHBondContact O-OG1 3.13Å; I301-V311 HydrophobicContact CG2-CG1 4.42Å; I301-V316 HydrophobicContact CD1-CG1 4.42Å; I301-V316 HydrophobicContact CG1-CG1 4.08Å; I301-V316 HydrophobicContact CG1-CG2 3.9Å |
| 302 | L | 96.8 | Very high | 95 | Very high | 30 Ų | 30 | 27.7 Ų | 27.7 | 16% | 0.157 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.2 | -46 | 175.5 | -69.3 | 175.8 | 0 | 0 | 0 | 111.5 | L209 R298 N299 C300 L304 T305 H306 L362 | L209-L302 HydrophobicContact CD2-CD2 3.98Å; L209-L302 HydrophobicContact CD2-CG 3.9Å; R298-L302 WeakPolarHBondContact O-CG 3.3Å; R298-L302 PolarHBondContact O-N 3.01Å; N299-L302 PolarHBondContact O-N 2.88Å; C300-L302 VanDerWaalsContact C-N 3.33Å; C300-L302 PolarHBondContact O-N 3.35Å; L302-L304 VanDerWaalsContact C-N 3.34Å; L302-L304 PolarHBondContact O-N 3.39Å; L302-T305 PolarHBondContact O-N 3.26Å; L302-T305 VanDerWaalsContact O-N 3.16Å; L302-H306 WeakPolarHBondContact O-CB 3.47Å; L302-H306 PolarHBondContact O-CD2 2.94Å; L302-H306 PolarHBondContact O-N 3.33Å; L302-L362 HydrophobicContact CB-CD2 4.33Å; L302-L362 HydrophobicContact CD1-CD2 3.89Å |
| 303 | A | 95.6 | Very high | 95.1 | Very high | 3 Ų | 3 | 30.4 Ų | 30.4 | 3% | 0.025 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.9 | -44.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | N299 C300 N307 A367 L370 V371 | N299-A303 WeakPolarHBondContact O-CB 2.96Å; N299-A303 PolarHBondContact O-N 3.45Å; C300-A303 PolarHBondContact O-N 3.03Å; A303-N307 PolarHBondContact O-N 3.2Å; A303-N307 PolarHBondContact O-ND2 3.05Å; A303-A367 HydrophobicContact CB-CB 3.73Å; A303-L370 HydrophobicContact CB-CD2 4.08Å; A303-V371 WeakPolarHBondContact O-CG2 3.46Å |
| 304 | L | 96.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.1 | -47.8 | 174.3 | -67.9 | 168.2 | 0 | 0 | 0 | 111.4 | C300 I301 L302 N307 G308 M309 V311 V316 A319 V371 V374 | C300-L304 VanDerWaalsContact O-CG 3.27Å; C300-L304 WeakPolarHBondContact O-CG 3.33Å; C300-L304 PolarHBondContact O-N 3.35Å; I301-L304 PolarHBondContact O-N 3.15Å; L302-L304 VanDerWaalsContact C-N 3.34Å; L302-L304 PolarHBondContact O-N 3.39Å; L304-N307 PolarHBondContact O-N 3.03Å; L304-G308 PolarHBondContact O-N 2.83Å; L304-M309 HydrophobicContact CB-CB 4.24Å; L304-M309 HydrophobicContact CD2-CB 4.02Å; L304-M309 HydrophobicContact CD2-CG 3.76Å; L304-M309 WeakPolarHBondContact O-CB 3.35Å; L304-M309 PolarHBondContact O-N 2.95Å; L304-V311 HydrophobicContact CB-CG2 4.17Å; L304-V316 HydrophobicContact CD1-CG2 4.22Å; L304-A319 HydrophobicContact CD1-CB 4.05Å; L304-A319 HydrophobicContact CD2-CB 4.36Å; L304-A319 HydrophobicContact CG-CB 4.3Å; L304-V371 HydrophobicContact CD2-CG2 4.1Å; L304-V374 HydrophobicContact CD2-CG1 4.1Å |
| 305 | T | 95.1 | Very high | 95.3 | Very high | 21 Ų | 21 | 32.5 Ų | 32.5 | 13% | 0.129 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63 | -46.3 | -177.1 | -59.5 | 0 | 0 | 0 | 0 | 112.2 | I211 L215 I301 L302 N307 G308 | I211-T305 HydrophobicContact CB-CG2 3.76Å; I211-T305 HydrophobicContact CG2-CG2 3.75Å; I211-T305 WeakPolarHBondContact CG2-OG1 3.36Å; L215-T305 HydrophobicContact CD1-CG2 3.82Å; I301-T305 WeakPolarHBondContact O-CB 3.3Å; I301-T305 PolarHBondContact O-N 3.48Å; I301-T305 PolarHBondContact O-OG1 3.13Å; L302-T305 PolarHBondContact O-N 3.26Å; L302-T305 VanDerWaalsContact O-N 3.16Å; T305-N307 PolarHBondContact O-N 3.01Å; T305-G308 PolarHBondContact O-N 2.87Å; T305-G308 VanDerWaalsContact O-N 3.07Å |
| 306 | H | 94.1 | Very high | 95.4 | Very high | 154 Ų | 154 | 30 Ų | 30 | 71% | 0.713 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -64.3 | -27.8 | -179 | -80.8 | -69.7 | 0 | 0 | 0 | 113.1 | L302 | L302-H306 WeakPolarHBondContact O-CB 3.47Å; L302-H306 PolarHBondContact O-CD2 2.94Å; L302-H306 PolarHBondContact O-N 3.33Å |
| 307 | N | 94 | Very high | 95.5 | Very high | 54 Ų | 54 | 32 Ų | 32 | 29% | 0.289 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 11.7 | 176.9 | -68.1 | -81.6 | 0 | 0 | 0 | 112.9 | A303 L304 T305 M309 V371 | A303-N307 PolarHBondContact O-N 3.2Å; A303-N307 PolarHBondContact O-ND2 3.05Å; L304-N307 PolarHBondContact O-N 3.03Å; T305-N307 PolarHBondContact O-N 3.01Å; N307-M309 PolarHBondContact O-N 3.08Å; N307-V371 HydrophobicContact CB-CB 4.07Å; N307-V371 HydrophobicContact CB-CG1 3.92Å; N307-V371 HydrophobicContact CB-CG2 3.86Å |
| 308 | G | 92.5 | Very high | 95.4 | Very high | 47 Ų | 47 | 32.5 Ų | 32.5 | 49% | 0.485 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 18.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | L304 T305 | L304-G308 PolarHBondContact O-N 2.83Å; T305-G308 PolarHBondContact O-N 2.87Å; T305-G308 VanDerWaalsContact O-N 3.07Å |
| 309 | M | 93.5 | Very high | 95.4 | Very high | 17 Ų | 17 | 28.2 Ų | 28.2 | 8% | 0.084 | 16% | 0.159 | C | C | . | . | trans | -78.1 | 131.6 | 177.1 | -172.4 | 67.7 | -174.1 | 0 | 0 | 109.5 | L304 N307 V311 W312 V371 V374 Q375 L378 | L304-M309 HydrophobicContact CB-CB 4.24Å; L304-M309 HydrophobicContact CD2-CB 4.02Å; L304-M309 HydrophobicContact CD2-CG 3.76Å; L304-M309 WeakPolarHBondContact O-CB 3.35Å; L304-M309 PolarHBondContact O-N 2.95Å; N307-M309 PolarHBondContact O-N 3.08Å; M309-V311 PolarHBondContact O-N 3.44Å; M309-W312 HydrophobicContact CE-CH2 3.94Å; M309-W312 HydrophobicContact CE-CZ3 4.09Å; M309-V371 HydrophobicContact CB-CG1 4.02Å; M309-V371 HydrophobicContact CG-CG1 4.39Å; M309-V374 HydrophobicContact CE-CG1 4.41Å; M309-Q375 HydrophobicContact CE-CG 4.19Å; M309-Q375 HydrophobicContact SD-CG 3.73Å; M309-L378 HydrophobicContact CE-CD1 3.44Å; M309-L378 VanDerWaalsContact CE-CD1 3.44Å | ||
| 310 | P | 93.9 | Very high | 95.3 | Very high | 55 Ų | 55 | 28 Ų | 28 | 36% | 0.357 | 16% | 0.158 | S | C | . | . | trans | -60.8 | 140.3 | 173.8 | 13.1 | -18.1 | 0 | 0 | 0 | 110.9 | L215 W312 S315 | L215-P310 CarbonylContact O-C 3.58Å; L215-P310 VanDerWaalsContact O-CA 3.27Å; L215-P310 WeakPolarHBondContact O-CA 3.46Å; P310-W312 HydrophobicContact CB-CE3 4.17Å; P310-W312 HydrophobicContact CB-CZ3 3.97Å; P310-W312 HydrophobicContact CG-CZ3 3.87Å; P310-W312 WeakPolarHBondContact O-CZ3 3.43Å; P310-S315 PolarHBondContact O-OG 3.19Å | ||
| 311 | V | 96.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -104 | 121.2 | -176.9 | -178.8 | 0 | 0 | 0 | 0 | 109.5 | I211 L215 K217 L251 I257 I301 L304 M309 V316 | I211-V311 HydrophobicContact CD1-CB 4.16Å; I211-V311 HydrophobicContact CD1-CG2 3.91Å; L215-V311 PolarHBondContact O-N 3.45Å; K217-V311 PolarHBondContact N-O 3.44Å; K217-V311 VanDerWaalsContact N-O 3.13Å; L251-V311 HydrophobicContact CD2-CG1 3.99Å; I257-V311 HydrophobicContact CD1-CG1 4.13Å; I301-V311 HydrophobicContact CG2-CG1 4.42Å; L304-V311 HydrophobicContact CB-CG2 4.17Å; M309-V311 PolarHBondContact O-N 3.44Å; V311-V316 HydrophobicContact CG1-CG2 3.77Å |
| 312 | W | 95.9 | Very high | 94.9 | Very high | 23 Ų | 23 | 33 Ų | 33 | 9% | 0.087 | 18% | 0.183 | C | C | . | . | trans | -154.4 | 170.5 | 170.7 | 77.7 | 95.5 | 0 | 0 | 0 | 110.3 | K217 M309 P310 T314 S315 V316 L378 | K217-W312 HydrophobicContact CB-CB 3.92Å; K217-W312 HydrophobicContact CB-CE3 4.41Å; K217-W312 HydrophobicContact CD-CB 4.34Å; K217-W312 HydrophobicContact CD-CD2 3.93Å; K217-W312 HydrophobicContact CD-CE3 4.01Å; K217-W312 HydrophobicContact CD-CG 4.11Å; M309-W312 HydrophobicContact CE-CH2 3.94Å; M309-W312 HydrophobicContact CE-CZ3 4.09Å; P310-W312 HydrophobicContact CB-CE3 4.17Å; P310-W312 HydrophobicContact CB-CZ3 3.97Å; P310-W312 HydrophobicContact CG-CZ3 3.87Å; P310-W312 WeakPolarHBondContact O-CZ3 3.43Å; W312-T314 VanDerWaalsContact CD1-N 3.34Å; W312-T314 PolarHBondContact NE1-OG1 3.42Å; W312-T314 VanDerWaalsContact NE1-OG1 3.13Å; W312-T314 PolarHBondContact O-N 2.96Å; W312-S315 PolarHBondContact N-OG 2.9Å; W312-S315 PolarHBondContact O-N 2.95Å; W312-S315 PolarHBondContact O-OG 3.02Å; W312-V316 WeakPolarHBondContact O-CG2 3.38Å; W312-V316 PolarHBondContact O-N 2.84Å; W312-L378 HydrophobicContact CH2-CD1 3.62Å; W312-L378 HydrophobicContact CZ2-CD1 3.8Å; W312-L378 HydrophobicContact CZ2-CD2 3.99Å | ||
| 313 | E | 95.5 | Very high | 94.6 | Very high | 64 Ų | 64 | 31.6 Ų | 31.6 | 30% | 0.299 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -43.9 | -57.2 | -175.3 | 178.3 | 175.9 | -139.8 | 0 | 0 | 114.3 | H224 L226 S315 V316 L317 | H224-E313 HydrophobicContact CB-CG 4.41Å; H224-E313 IonicContact CE1-OE1 3.85Å; H224-E313 IonicContact CE1-OE2 3.56Å; H224-E313 PolarHBondContact CE1-OE2 3.09Å; H224-E313 IonicContact CG-OE1 3.39Å; H224-E313 IonicContact ND1-OE1 3.53Å; H224-E313 PolarHBondContact ND1-OE1 2.94Å; H224-E313 IonicContact ND1-OE2 2.9Å; H224-E313 PolarHBondContact ND1-OE2 2.83Å; L226-E313 HydrophobicContact CD2-CG 4.42Å; E313-S315 VanDerWaalsContact C-N 3.35Å; E313-S315 PolarHBondContact O-N 2.8Å; E313-V316 PolarHBondContact O-N 3.5Å; E313-V316 VanDerWaalsContact O-N 3.15Å; E313-L317 HydrophobicContact CG-CD1 3.89Å; E313-L317 PolarHBondContact O-N 3.07Å |
| 314 | T | 95.3 | Very high | 94.3 | Very high | 59 Ų | 59 | 33.1 Ų | 33.1 | 36% | 0.362 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62.7 | -40 | -177.3 | -34.9 | 0 | 0 | 0 | 0 | 112 | W312 V316 L317 T318 L378 | W312-T314 VanDerWaalsContact CD1-N 3.34Å; W312-T314 PolarHBondContact NE1-OG1 3.42Å; W312-T314 VanDerWaalsContact NE1-OG1 3.13Å; W312-T314 PolarHBondContact O-N 2.96Å; T314-V316 VanDerWaalsContact C-N 3.29Å; T314-V316 PolarHBondContact O-N 3.44Å; T314-L317 PolarHBondContact O-N 2.92Å; T314-T318 HydrophobicContact CG2-CG2 4.29Å; T314-T318 WeakPolarHBondContact O-CB 3.43Å; T314-T318 VanDerWaalsContact O-CG2 3.28Å; T314-T318 WeakPolarHBondContact O-CG2 3.33Å; T314-T318 PolarHBondContact O-N 3.27Å; T314-T318 PolarHBondContact O-OG1 2.82Å; T314-L378 HydrophobicContact CG2-CD2 3.9Å |
| 315 | S | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.8 | -35.8 | 177.7 | 68.5 | 0 | 0 | 0 | 0 | 112.2 | P310 W312 E313 T318 A319 | P310-S315 PolarHBondContact O-OG 3.19Å; W312-S315 PolarHBondContact N-OG 2.9Å; W312-S315 PolarHBondContact O-N 2.95Å; W312-S315 PolarHBondContact O-OG 3.02Å; E313-S315 VanDerWaalsContact C-N 3.35Å; E313-S315 PolarHBondContact O-N 2.8Å; S315-T318 WeakPolarHBondContact CA-OG1 3.18Å; S315-T318 PolarHBondContact O-OG1 2.86Å; S315-A319 VanDerWaalsContact O-CB 3.28Å; S315-A319 WeakPolarHBondContact O-CB 3.13Å; S315-A319 PolarHBondContact O-N 3.01Å; S315-A319 VanDerWaalsContact O-N 3.1Å |
| 316 | V | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -74 | -43.8 | 178.4 | 178 | 0 | 0 | 0 | 0 | 110.6 | L226 L249 V297 I301 L304 V311 W312 E313 T314 A319 C320 | L226-V316 HydrophobicContact CD1-CG1 4.06Å; L249-V316 HydrophobicContact CD2-CB 4.4Å; L249-V316 HydrophobicContact CD2-CG1 4.24Å; L249-V316 HydrophobicContact CD2-CG2 4.35Å; V297-V316 HydrophobicContact CG1-CG1 4.04Å; I301-V316 HydrophobicContact CD1-CG1 4.42Å; I301-V316 HydrophobicContact CG1-CG1 4.08Å; I301-V316 HydrophobicContact CG1-CG2 3.9Å; L304-V316 HydrophobicContact CD1-CG2 4.22Å; V311-V316 HydrophobicContact CG1-CG2 3.77Å; W312-V316 WeakPolarHBondContact O-CG2 3.38Å; W312-V316 PolarHBondContact O-N 2.84Å; E313-V316 PolarHBondContact O-N 3.5Å; E313-V316 VanDerWaalsContact O-N 3.15Å; T314-V316 VanDerWaalsContact C-N 3.29Å; T314-V316 PolarHBondContact O-N 3.44Å; V316-A319 PolarHBondContact O-N 2.83Å; V316-C320 PolarHBondContact O-N 3.1Å; V316-C320 PolarHBondContact O-SG 2.84Å |
| 317 | L | 95.1 | Very high | 92.8 | Very high | 47 Ų | 47 | 28.3 Ų | 28.3 | 25% | 0.246 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.7 | -49.6 | 176.8 | -75.9 | 173 | 0 | 0 | 0 | 111.8 | L226 E313 T314 A319 C320 E321 | L226-L317 HydrophobicContact CB-CD2 4.07Å; L226-L317 HydrophobicContact CD1-CD2 4.48Å; L226-L317 HydrophobicContact CD2-CD1 4.35Å; L226-L317 HydrophobicContact CD2-CD2 3.78Å; L226-L317 HydrophobicContact CD2-CG 3.98Å; L226-L317 HydrophobicContact CG-CD2 4.32Å; E313-L317 HydrophobicContact CG-CD1 3.89Å; E313-L317 PolarHBondContact O-N 3.07Å; T314-L317 PolarHBondContact O-N 2.92Å; L317-A319 VanDerWaalsContact C-N 3.28Å; L317-A319 PolarHBondContact O-N 2.67Å; L317-C320 WeakPolarHBondContact O-CB 3.38Å; L317-C320 PolarHBondContact O-N 3.08Å; L317-E321 WeakPolarHBondContact O-CG 3.31Å; L317-E321 PolarHBondContact O-N 2.83Å |
| 318 | T | 95.3 | Very high | 92.1 | Very high | 10 Ų | 10 | 29.7 Ų | 29.7 | 6% | 0.061 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.3 | -37.3 | 177.1 | 50.2 | 0 | 0 | 0 | 0 | 112.3 | T314 S315 A322 L378 | T314-T318 HydrophobicContact CG2-CG2 4.29Å; T314-T318 WeakPolarHBondContact O-CB 3.43Å; T314-T318 VanDerWaalsContact O-CG2 3.28Å; T314-T318 WeakPolarHBondContact O-CG2 3.33Å; T314-T318 PolarHBondContact O-N 3.27Å; T314-T318 PolarHBondContact O-OG1 2.82Å; S315-T318 WeakPolarHBondContact CA-OG1 3.18Å; S315-T318 PolarHBondContact O-OG1 2.86Å; T318-A322 VanDerWaalsContact O-CB 3.25Å; T318-A322 WeakPolarHBondContact O-CB 3.21Å; T318-A322 PolarHBondContact O-N 3.13Å; T318-L378 HydrophobicContact CG2-CD2 4.23Å |
| 319 | A | 95.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.4 | -42.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | C300 L304 S315 V316 L317 A322 S323 L370 V374 | C300-A319 HydrophobicContact CB-CB 3.87Å; L304-A319 HydrophobicContact CD1-CB 4.05Å; L304-A319 HydrophobicContact CD2-CB 4.36Å; L304-A319 HydrophobicContact CG-CB 4.3Å; S315-A319 VanDerWaalsContact O-CB 3.28Å; S315-A319 WeakPolarHBondContact O-CB 3.13Å; S315-A319 PolarHBondContact O-N 3.01Å; S315-A319 VanDerWaalsContact O-N 3.1Å; V316-A319 PolarHBondContact O-N 2.83Å; L317-A319 VanDerWaalsContact C-N 3.28Å; L317-A319 PolarHBondContact O-N 2.67Å; A319-A322 PolarHBondContact O-N 3.14Å; A319-S323 WeakPolarHBondContact O-CB 3.41Å; A319-S323 PolarHBondContact O-N 3.09Å; A319-L370 HydrophobicContact CB-CD2 4.47Å; A319-V374 VanDerWaalsContact CA-CG2 3.48Å; A319-V374 HydrophobicContact CB-CG2 3.77Å |
| 320 | C | 94.3 | Very high | 89.8 | Confident | 4 Ų | 4 | 34.9 Ų | 34.9 | 3% | 0.027 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.1 | -46.1 | 177 | -67.6 | 0 | 0 | 0 | 0 | 111.5 | I228 V316 L317 S323 W324 | I228-C320 HydrophobicContact CD1-CB 4.04Å; V316-C320 PolarHBondContact O-N 3.1Å; V316-C320 PolarHBondContact O-SG 2.84Å; L317-C320 WeakPolarHBondContact O-CB 3.38Å; L317-C320 PolarHBondContact O-N 3.08Å; C320-S323 PolarHBondContact O-N 2.83Å; C320-S323 PolarHBondContact O-OG 2.97Å; C320-W324 WeakPolarHBondContact O-CB 3.31Å; C320-W324 PolarHBondContact O-N 2.86Å |
| 321 | E | 92.7 | Very high | 88 | Confident | 101 Ų | 101 | 36 Ų | 36 | 47% | 0.472 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.2 | -42.6 | 175.8 | -70.9 | 173.6 | -171 | 0 | 0 | 112.7 | L317 W324 S325 K377 | L317-E321 WeakPolarHBondContact O-CG 3.31Å; L317-E321 PolarHBondContact O-N 2.83Å; E321-W324 PolarHBondContact O-N 3.14Å; E321-S325 PolarHBondContact O-N 2.7Å; E321-S325 PolarHBondContact O-OG 3.43Å; E321-K377 IonicContact OE2-NZ 3.64Å; E321-K377 PolarHBondContact OE2-NZ 2.8Å |
| 322 | A | 91.8 | Very high | 85.9 | Confident | 5 Ų | 5 | 42.9 Ų | 42.9 | 4% | 0.041 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.4 | -40.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | T318 A319 W324 S325 A326 L370 L373 | T318-A322 VanDerWaalsContact O-CB 3.25Å; T318-A322 WeakPolarHBondContact O-CB 3.21Å; T318-A322 PolarHBondContact O-N 3.13Å; A319-A322 PolarHBondContact O-N 3.14Å; A322-W324 VanDerWaalsContact C-N 3.29Å; A322-W324 PolarHBondContact O-N 2.73Å; A322-S325 PolarHBondContact O-N 2.76Å; A322-A326 WeakPolarHBondContact O-CB 3.44Å; A322-A326 PolarHBondContact O-N 2.92Å; A322-L370 HydrophobicContact CB-CD1 3.59Å; A322-L373 HydrophobicContact CB-CB 4.46Å |
| 323 | S | 91.4 | Very high | 83.8 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.2 | -39.5 | 173.6 | 80 | 0 | 0 | 0 | 0 | 112 | R296 A319 C320 A326 D327 | R296-S323 PolarHBondContact NH1-OG 2.81Å; A319-S323 WeakPolarHBondContact O-CB 3.41Å; A319-S323 PolarHBondContact O-N 3.09Å; C320-S323 PolarHBondContact O-N 2.83Å; C320-S323 PolarHBondContact O-OG 2.97Å; S323-A326 PolarHBondContact O-N 3.39Å; S323-D327 PolarHBondContact O-N 3.03Å |
| 324 | W | 88.3 | Confident | 81.8 | Confident | 34 Ų | 34 | 47.2 Ų | 47.2 | 13% | 0.129 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68.9 | -42.4 | 179 | -174.8 | -99.8 | 0 | 0 | 0 | 112 | P229 R230 M231 I238 C320 E321 A322 A326 D327 Q328 | P229-W324 HydrophobicContact CB-CD2 3.91Å; P229-W324 HydrophobicContact CB-CE3 4.08Å; P229-W324 HydrophobicContact CB-CH2 4.06Å; P229-W324 HydrophobicContact CB-CZ2 3.86Å; P229-W324 HydrophobicContact CB-CZ3 4.17Å; P229-W324 HydrophobicContact CG-CD2 4.13Å; P229-W324 HydrophobicContact CG-CG 4.26Å; R230-W324 WeakPolarHBondContact O-CH2 3.26Å; M231-W324 HydrophobicContact CB-CH2 4.16Å; M231-W324 HydrophobicContact CB-CZ3 3.96Å; M231-W324 HydrophobicContact CG-CZ3 4.4Å; M231-W324 HydrophobicContact SD-CZ3 4.11Å; I238-W324 HydrophobicContact CG2-CH2 4.36Å; I238-W324 HydrophobicContact CG2-CZ2 4.03Å; C320-W324 WeakPolarHBondContact O-CB 3.31Å; C320-W324 PolarHBondContact O-N 2.86Å; E321-W324 PolarHBondContact O-N 3.14Å; A322-W324 VanDerWaalsContact C-N 3.29Å; A322-W324 PolarHBondContact O-N 2.73Å; W324-A326 VanDerWaalsContact C-N 3.31Å; W324-A326 PolarHBondContact O-N 3.45Å; W324-D327 PolarHBondContact O-N 3.15Å; W324-Q328 VanDerWaalsContact NE1-NE2 3.11Å; W324-Q328 PolarHBondContact O-N 3.47Å |
| 325 | S | 87.1 | Confident | 79.9 | Confident | 48 Ų | 48 | 49.5 Ų | 49.5 | 34% | 0.336 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.3 | -39.5 | 176.4 | -53.5 | 0 | 0 | 0 | 0 | 111.2 | E321 A322 D327 Q328 Q329 | E321-S325 PolarHBondContact O-N 2.7Å; E321-S325 PolarHBondContact O-OG 3.43Å; A322-S325 PolarHBondContact O-N 2.76Å; S325-D327 VanDerWaalsContact C-N 3.31Å; S325-D327 PolarHBondContact O-N 2.91Å; S325-Q328 PolarHBondContact O-N 3.36Å; S325-Q329 WeakPolarHBondContact O-CG 3.3Å; S325-Q329 PolarHBondContact O-N 2.84Å; S325-Q329 VanDerWaalsContact O-N 3.16Å |
| 326 | A | 85.1 | Confident | 78.1 | Confident | 25 Ų | 25 | 57 Ų | 57 | 21% | 0.207 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.4 | -28.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A322 S323 W324 Q328 N330 R360 | A322-A326 WeakPolarHBondContact O-CB 3.44Å; A322-A326 PolarHBondContact O-N 2.92Å; S323-A326 PolarHBondContact O-N 3.39Å; W324-A326 VanDerWaalsContact C-N 3.31Å; W324-A326 PolarHBondContact O-N 3.45Å; A326-Q328 VanDerWaalsContact C-N 3.35Å; A326-N330 WeakPolarHBondContact O-CB 3.24Å; A326-N330 PolarHBondContact O-N 2.89Å; A326-N330 PolarHBondContact O-ND2 2.91Å; A326-N330 VanDerWaalsContact O-ND2 3.12Å; A326-N330 PolarHBondContact O-OD1 3.15Å; A326-R360 PolarHBondContact O-NH2 3.45Å |
| 327 | D | 82.9 | Confident | 76.2 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.011 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.4 | -36.4 | 173.8 | -71.3 | -28.6 | 0 | 0 | 0 | 111.2 | I238 R296 S323 W324 S325 R360 | I238-D327 VanDerWaalsContact CD1-C 3.44Å; I238-D327 HydrophobicContact CD1-CB 3.89Å; I238-D327 WeakPolarHBondContact CD1-O 3.46Å; R296-D327 IonicContact CZ-OD2 3.65Å; R296-D327 IonicContact NH1-OD2 2.73Å; R296-D327 PolarHBondContact NH1-OD2 2.98Å; R296-D327 IonicContact NH2-OD2 3.1Å; R296-D327 PolarHBondContact NH2-OD2 3.43Å; S323-D327 PolarHBondContact O-N 3.03Å; W324-D327 PolarHBondContact O-N 3.15Å; S325-D327 VanDerWaalsContact C-N 3.31Å; S325-D327 PolarHBondContact O-N 2.91Å; D327-R360 VanDerWaalsContact CA-NH2 3.27Å; D327-R360 VanDerWaalsContact N-NH2 3.11Å; D327-R360 IonicContact OD1-CZ 3.31Å; D327-R360 IonicContact OD1-NE 2.8Å; D327-R360 PolarHBondContact OD1-NE 3.48Å; D327-R360 VanDerWaalsContact OD1-NE 3.08Å; D327-R360 IonicContact OD1-NH2 2.92Å; D327-R360 PolarHBondContact OD1-NH2 2.88Å |
| 328 | Q | 79.2 | Confident | 74 | Confident | 82 Ų | 82 | 60.3 Ų | 60.3 | 38% | 0.383 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -73.9 | -28.1 | 179.7 | -72.2 | 178.8 | 85.3 | 0 | 0 | 113.8 | I238 W324 S325 A326 | I238-Q328 HydrophobicContact CD1-CG 4.05Å; I238-Q328 HydrophobicContact CG2-CG 4.28Å; W324-Q328 VanDerWaalsContact NE1-NE2 3.11Å; W324-Q328 PolarHBondContact O-N 3.47Å; S325-Q328 PolarHBondContact O-N 3.36Å; A326-Q328 VanDerWaalsContact C-N 3.35Å |
| 329 | Q | 75.8 | Confident | 72 | Confident | 145 Ų | 145 | 63.5 Ų | 63.5 | 68% | 0.678 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -85.5 | -28.2 | -179.3 | -71.1 | 175.9 | -11.1 | 0 | 0 | 113.1 | S325 D331 | S325-Q329 WeakPolarHBondContact O-CG 3.3Å; S325-Q329 PolarHBondContact O-N 2.84Å; S325-Q329 VanDerWaalsContact O-N 3.16Å; Q329-D331 VanDerWaalsContact C-N 3.29Å; Q329-D331 PolarHBondContact O-N 2.79Å; Q329-D331 VanDerWaalsContact O-N 3.13Å |
| 330 | N | 62 | Low | 69.5 | Low | 29 Ų | 29 | 71.2 Ų | 71.2 | 16% | 0.155 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 40.3 | -167.1 | -65.2 | -6.9 | 0 | 0 | 0 | 114.3 | A326 D332 D334 R360 | A326-N330 WeakPolarHBondContact O-CB 3.24Å; A326-N330 PolarHBondContact O-N 2.89Å; A326-N330 PolarHBondContact O-ND2 2.91Å; A326-N330 VanDerWaalsContact O-ND2 3.12Å; A326-N330 PolarHBondContact O-OD1 3.15Å; N330-D332 VanDerWaalsContact C-N 3.29Å; N330-D334 HydrophobicContact CB-CB 4.43Å; N330-D334 VanDerWaalsContact CG-OD2 3.22Å; N330-D334 PolarHBondContact ND2-OD2 2.73Å; N330-R360 PolarHBondContact ND2-NH1 3.35Å |
| 331 | D | 55.6 | Low | 67.2 | Low | 79 Ų | 79 | 77 Ų | 77 | 42% | 0.422 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -20.8 | 169.7 | -84 | -27 | 0 | 0 | 0 | 112.5 | Q329 R355 R357 | Q329-D331 VanDerWaalsContact C-N 3.29Å; Q329-D331 PolarHBondContact O-N 2.79Å; Q329-D331 VanDerWaalsContact O-N 3.13Å; D331-R355 PolarHBondContact O-NH2 2.9Å; D331-R355 IonicContact OD1-NH1 3.95Å; D331-R357 IonicContact OD1-NH2 3.09Å |
| 332 | D | 51.6 | Low | 64.4 | Low | 143 Ų | 143 | 80.5 Ų | 80.5 | 77% | 0.765 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -123 | -21.6 | -168.8 | -64.9 | -39.3 | 0 | 0 | 0 | 118.2 | N330 | N330-D332 VanDerWaalsContact C-N 3.29Š|
| 333 | D | 53.2 | Low | 61.9 | Low | 146 Ų | 146 | 83.4 Ų | 83.4 | 78% | 0.781 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -118.5 | -5.4 | -164.3 | -72.1 | -35.7 | 0 | 0 | 0 | 118.2 | ||
| 334 | D | 53.4 | Low | 59.2 | Low | 33 Ų | 33 | 89 Ų | 89 | 18% | 0.176 | 46% | 0.457 | C | S | . | . | trans | -110.9 | 40.6 | -167.4 | -87.7 | -1.2 | 0 | 0 | 0 | 114.5 | N330 E336 R360 | N330-D334 HydrophobicContact CB-CB 4.43Å; N330-D334 VanDerWaalsContact CG-OD2 3.22Å; N330-D334 PolarHBondContact ND2-OD2 2.73Å; D334-E336 PolarHBondContact O-N 3.4Å; D334-R360 IonicContact OD2-NH1 3.03Å | ||
| 335 | D | 54.5 | Low | 57.3 | Low | 107 Ų | 107 | 94.2 Ų | 94.2 | 57% | 0.572 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -65.5 | -19.5 | 174.2 | -81.2 | -24.4 | 0 | 0 | 0 | 113.2 | Y337 Q338 | D335-Y337 PolarHBondContact O-N 2.72Å; D335-Q338 PolarHBondContact OD1-NE2 3.23Å |
| 336 | E | 57.7 | Low | 54.9 | Low | 156 Ų | 156 | 97.7 Ų | 97.7 | 73% | 0.729 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -74.5 | -23.2 | -175.8 | -166.9 | 172.4 | -151.3 | 0 | 0 | 114.1 | D334 | D334-E336 PolarHBondContact O-N 3.4Š|
| 337 | Y | 56.8 | Low | 52.7 | Low | 68 Ų | 68 | 104.6 Ų | 104.6 | 27% | 0.267 | 53% | 0.534 | S | S | . | . | G | 310 helix | trans | -115.4 | 15.6 | -176.1 | -53.2 | -64.4 | 0 | 0 | 0 | 114 | D335 L339 H363 E365 V366 | D335-Y337 PolarHBondContact O-N 2.72Å; Y337-L339 PolarHBondContact O-N 3.18Å; Y337-H363 AromaticContact CD1-CE1 3.55Å; Y337-H363 AromaticContact CD1-ND1 3.8Å; Y337-E365 WeakPolarHBondContact CE1-OE2 3.41Å; Y337-E365 VanDerWaalsContact CZ-OE2 3.25Å; Y337-E365 PolarHBondContact OH-OE2 2.74Å; Y337-V366 HydrophobicContact CG-CG2 4.49Å |
| 338 | Q | 50.5 | Low | 50.5 | Low | 49 Ų | 49 | 110.2 Ų | 110.2 | 23% | 0.229 | 56% | 0.564 | C | S | . | * | trans | -67.7 | 103.9 | 171.6 | -75.4 | 175.3 | 16.3 | 0 | 0 | 108.9 | D335 E340 | D335-Q338 PolarHBondContact OD1-NE2 3.23Å; Q338-E340 PolarHBondContact O-N 3.28Å; Q338-E340 VanDerWaalsContact O-N 3.09Å | ||
| 339 | L | 51.9 | Low | 48.8 | Very low | 78 Ų | 78 | 112.6 Ų | 112.6 | 41% | 0.408 | 59% | 0.59 | S | S | . | * | trans | -61.8 | 110.9 | 163.9 | -74 | 169.4 | 0 | 0 | 0 | 107.5 | Y337 F341 | Y337-L339 PolarHBondContact O-N 3.18Å; L339-F341 PolarHBondContact O-N 3.39Å | ||
| 340 | E | 43.9 | Very low | 47.2 | Very low | 162 Ų | 162 | 109.5 Ų | 109.5 | 76% | 0.757 | 58% | 0.584 | S | S | * | * | trans | -63.3 | 87 | 159.5 | -72.6 | -178.5 | 173.9 | 0 | 0 | 107.1 | Q338 E342 | Q338-E340 PolarHBondContact O-N 3.28Å; Q338-E340 VanDerWaalsContact O-N 3.09Å; E340-E342 PolarHBondContact O-N 2.96Å | ||
| 341 | F | 45.3 | Very low | 46.1 | Very low | 124 Ų | 124 | 112 Ų | 112 | 54% | 0.544 | 62% | 0.618 | S | S | . | * | trans | -82.7 | 106.3 | 162.2 | -126 | -89.3 | 0 | 0 | 0 | 105.6 | L339 T343 | L339-F341 PolarHBondContact O-N 3.39Å; F341-T343 HydrophobicContact CD1-CG2 4.33Å; F341-T343 PolarHBondContact O-N 3.18Å | ||
| 342 | E | 34.2 | Very low | 45.4 | Very low | 175 Ų | 175 | 113 Ų | 113 | 82% | 0.818 | 63% | 0.631 | S | S | * | * | trans | -64.7 | 83.5 | 161.4 | -71.3 | -175.4 | 170.3 | 0 | 0 | 107.5 | E340 S344 | E340-E342 PolarHBondContact O-N 2.96Å; E342-S344 PolarHBondContact O-N 2.72Å | ||
| 343 | T | 38.7 | Very low | 45.3 | Very low | 66 Ų | 66 | 112 Ų | 112 | 41% | 0.405 | 62% | 0.619 | S | S | . | * | trans | -72.2 | 92.2 | 160 | 42.4 | 0 | 0 | 0 | 0 | 105.8 | F341 I345 | F341-T343 HydrophobicContact CD1-CG2 4.33Å; F341-T343 PolarHBondContact O-N 3.18Å; T343-I345 PolarHBondContact O-N 3.39Å | ||
| 344 | S | 36.5 | Very low | 45.2 | Very low | 119 Ų | 119 | 106.2 Ų | 106.2 | 83% | 0.832 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | 27.1 | 171.2 | 31.5 | 0 | 0 | 0 | 0 | 113.2 | E342 | E342-S344 PolarHBondContact O-N 2.72Š|
| 345 | I | 47.7 | Very low | 45.6 | Very low | 142 Ų | 142 | 109.2 Ų | 109.2 | 73% | 0.728 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -22.9 | -177 | -62.8 | 176.1 | 0 | 0 | 0 | 111 | T343 | T343-I345 PolarHBondContact O-N 3.39Š|
| 346 | N | 37 | Very low | 46.5 | Very low | 121 Ų | 121 | 105.7 Ų | 105.7 | 65% | 0.647 | 58% | 0.58 | S | S | * | * | trans | -124.3 | 116.2 | 172.6 | -69.2 | -20 | 0 | 0 | 0 | 110 | D348 | N346-D348 PolarHBondContact O-N 2.83Š| ||
| 347 | N | 37.5 | Very low | 47.6 | Very low | 170 Ų | 170 | 99 Ų | 99 | 91% | 0.909 | 55% | 0.548 | S | S | * | . | trans | -74.2 | 33.3 | 175.1 | -157.8 | 27 | 0 | 0 | 0 | 111.9 | S349 | N347-S349 PolarHBondContact O-N 3.01Š| ||
| 348 | D | 38.3 | Very low | 48.9 | Very low | 121 Ų | 121 | 96.3 Ų | 96.3 | 65% | 0.647 | 54% | 0.539 | S | S | * | . | trans | -81.7 | 104.3 | 179.1 | -81.2 | -21.2 | 0 | 0 | 0 | 108.8 | N346 S350 | N346-D348 PolarHBondContact O-N 2.83Å; D348-S350 PolarHBondContact O-N 3.2Å | ||
| 349 | S | 42.2 | Very low | 50.5 | Low | 131 Ų | 131 | 95.1 Ų | 95.1 | 92% | 0.916 | 54% | 0.537 | S | S | * | . | trans | -59.5 | 7.1 | 172.9 | 55.5 | 0 | 0 | 0 | 0 | 115.6 | N347 | N347-S349 PolarHBondContact O-N 3.01Š| ||
| 350 | S | 43 | Very low | 52.1 | Low | 80 Ų | 80 | 93 Ų | 93 | 56% | 0.559 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -91.6 | 114.9 | 163.4 | 62.1 | 0 | 0 | 0 | 0 | 108.7 | D348 S352 | D348-S350 PolarHBondContact O-N 3.2Å; S350-S352 PolarHBondContact O-N 2.84Å |
| 351 | G | 37.6 | Very low | 54.2 | Low | 83 Ų | 83 | 85.4 Ų | 85.4 | 86% | 0.856 | 49% | 0.488 | S | S | * | . | trans | -65.2 | 51.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | K353 | G351-K353 PolarHBondContact O-N 2.97Š| ||
| 352 | S | 42.8 | Very low | 56.2 | Low | 100 Ų | 100 | 83.6 Ų | 83.6 | 70% | 0.699 | 48% | 0.483 | S | S | * | . | trans | -69.6 | 97.7 | 172.6 | 177.4 | 0 | 0 | 0 | 0 | 107.7 | S350 S354 | S350-S352 PolarHBondContact O-N 2.84Å; S352-S354 PolarHBondContact O-N 3.31Å | ||
| 353 | K | 48.9 | Very low | 58.8 | Low | 120 Ų | 120 | 77.7 Ų | 77.7 | 52% | 0.522 | 46% | 0.456 | S | S | . | . | trans | -53.2 | 103.2 | 171.6 | -62.2 | -177 | -178.6 | -179.2 | 0 | 108.5 | G351 R355 | G351-K353 PolarHBondContact O-N 2.97Å; K353-R355 PolarHBondContact O-N 3.33Å; K353-R355 VanDerWaalsContact O-N 3.08Å | ||
| 354 | S | 50.7 | Low | 61.3 | Low | 25 Ų | 25 | 78.5 Ų | 78.5 | 18% | 0.175 | 46% | 0.462 | C | S | . | . | trans | -66.1 | 110.2 | 176.6 | 59.2 | 0 | 0 | 0 | 0 | 108.5 | D235 S352 N356 | D235-S354 WeakPolarHBondContact OD2-CB 3.28Å; S352-S354 PolarHBondContact O-N 3.31Å; S354-N356 PolarHBondContact O-N 3.1Å; S354-N356 PolarHBondContact OG-ND2 3.47Å | ||
| 355 | R | 61.6 | Low | 63.8 | Low | 96 Ų | 96 | 77 Ų | 77 | 36% | 0.362 | 44% | 0.442 | S | S | . | . | trans | -73.7 | 78.3 | 178.3 | -73.1 | 179.9 | 172.8 | 172.6 | -5.5 | 109.5 | D235 D331 K353 R357 | D235-R355 PolarHBondContact OD1-N 2.79Å; D331-R355 PolarHBondContact O-NH2 2.9Å; D331-R355 IonicContact OD1-NH1 3.95Å; K353-R355 PolarHBondContact O-N 3.33Å; K353-R355 VanDerWaalsContact O-N 3.08Å; R355-R357 PolarHBondContact O-N 3.39Å | ||
| 356 | N | 72.8 | Confident | 65.8 | Low | 33 Ų | 33 | 71.3 Ų | 71.3 | 18% | 0.176 | 41% | 0.414 | C | S | . | . | trans | -66.6 | 79.1 | 176.5 | -81.5 | -56.4 | 0 | 0 | 0 | 111.6 | L234 D235 S354 I358 A359 R360 | L234-N356 WeakPolarHBondContact CD2-OD1 3.3Å; D235-N356 PolarHBondContact OD1-N 2.88Å; S354-N356 PolarHBondContact O-N 3.1Å; S354-N356 PolarHBondContact OG-ND2 3.47Å; N356-I358 PolarHBondContact O-N 2.68Å; N356-A359 HydrophobicContact CB-CB 3.85Å; N356-A359 PolarHBondContact O-N 2.87Å; N356-R360 PolarHBondContact O-N 2.71Å; N356-R360 VanDerWaalsContact O-N 3.12Å | ||
| 357 | R | 80.8 | Confident | 68.4 | Low | 16 Ų | 16 | 65.8 Ų | 65.8 | 6% | 0.06 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -24.7 | -176 | -78.1 | 173.5 | 176 | 151.7 | -0.7 | 114.1 | M231 G236 I238 D331 R355 R360 | M231-R357 HydrophobicContact CE-CB 4.4Å; G236-R357 PolarHBondContact O-NH1 3.16Å; I238-R357 VanDerWaalsContact CG1-CZ 3.5Å; D331-R357 IonicContact OD1-NH2 3.09Å; R355-R357 PolarHBondContact O-N 3.39Å; R357-R360 VanDerWaalsContact O-CG 3.25Å; R357-R360 WeakPolarHBondContact O-CG 3.47Å; R357-R360 PolarHBondContact O-NE 3.05Å |
| 358 | I | 84.4 | Confident | 71.1 | Confident | 12 Ų | 12 | 64.2 Ų | 64.2 | 6% | 0.062 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -38.8 | 178 | -54.1 | 167.1 | 0 | 0 | 0 | 110.9 | L234 I292 C295 N299 N356 L361 | L234-I358 HydrophobicContact CD2-CD1 4.08Å; L234-I358 HydrophobicContact CG-CD1 4.11Å; I292-I358 HydrophobicContact CB-CD1 4.03Å; I292-I358 HydrophobicContact CG1-CD1 3.97Å; I292-I358 HydrophobicContact CG2-CD1 3.58Å; I292-I358 HydrophobicContact CG2-CG1 4.48Å; C295-I358 HydrophobicContact CB-CG2 3.94Å; N299-I358 WeakPolarHBondContact ND2-CG2 3.3Å; N299-I358 PolarHBondContact ND2-O 3.2Å; N356-I358 PolarHBondContact O-N 2.68Å; I358-L361 WeakPolarHBondContact O-CB 3.26Å; I358-L361 PolarHBondContact O-N 3.29Å |
| 359 | A | 84.3 | Confident | 73.7 | Confident | 23 Ų | 23 | 65.5 Ų | 65.5 | 19% | 0.19 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -70.9 | -33 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | N356 L361 L362 | N356-A359 HydrophobicContact CB-CB 3.85Å; N356-A359 PolarHBondContact O-N 2.87Å; A359-L361 PolarHBondContact O-N 3.42Å; A359-L361 VanDerWaalsContact O-N 3.12Å; A359-L362 VanDerWaalsContact O-CB 3.32Å; A359-L362 WeakPolarHBondContact O-CB 3.13Å; A359-L362 PolarHBondContact O-N 3.19Å |
| 360 | R | 86.1 | Confident | 76.1 | Confident | 35 Ų | 35 | 59.6 Ų | 59.6 | 13% | 0.132 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -57.1 | -27.5 | 176.3 | 77.9 | -169.8 | -176.1 | 135.9 | 11.1 | 113.5 | A326 D327 N330 D334 N356 R357 L362 H363 V366 | A326-R360 PolarHBondContact O-NH2 3.45Å; D327-R360 VanDerWaalsContact CA-NH2 3.27Å; D327-R360 VanDerWaalsContact N-NH2 3.11Å; D327-R360 IonicContact OD1-CZ 3.31Å; D327-R360 IonicContact OD1-NE 2.8Å; D327-R360 PolarHBondContact OD1-NE 3.48Å; D327-R360 VanDerWaalsContact OD1-NE 3.08Å; D327-R360 IonicContact OD1-NH2 2.92Å; D327-R360 PolarHBondContact OD1-NH2 2.88Å; N330-R360 PolarHBondContact ND2-NH1 3.35Å; D334-R360 IonicContact OD2-NH1 3.03Å; N356-R360 PolarHBondContact O-N 2.71Å; N356-R360 VanDerWaalsContact O-N 3.12Å; R357-R360 VanDerWaalsContact O-CG 3.25Å; R357-R360 WeakPolarHBondContact O-CG 3.47Å; R357-R360 PolarHBondContact O-NE 3.05Å; R360-L362 PolarHBondContact O-N 3.49Å; R360-L362 VanDerWaalsContact O-N 3.15Å; R360-H363 VanDerWaalsContact O-CB 3.27Å; R360-H363 WeakPolarHBondContact O-CB 3.34Å; R360-H363 PolarHBondContact O-N 3.47Å; R360-V366 HydrophobicContact CG-CG1 4.49Å; R360-V366 WeakPolarHBondContact O-CB 3.25Å; R360-V366 WeakPolarHBondContact O-CG1 3.32Å |
| 361 | L | 87.2 | Confident | 78.5 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -64.1 | -16.8 | 175.9 | -60.6 | 176.2 | 0 | 0 | 0 | 113.2 | R296 N299 I358 A359 V366 L370 | R296-L361 HydrophobicContact CG-CD1 4.3Å; N299-L361 HydrophobicContact CB-CB 4.01Å; N299-L361 HydrophobicContact CB-CD1 4.28Å; I358-L361 WeakPolarHBondContact O-CB 3.26Å; I358-L361 PolarHBondContact O-N 3.29Å; A359-L361 PolarHBondContact O-N 3.42Å; A359-L361 VanDerWaalsContact O-N 3.12Å; L361-V366 HydrophobicContact CD2-CG1 4.39Å; L361-L370 HydrophobicContact CD2-CD2 4.34Å |
| 362 | L | 87.6 | Confident | 81.2 | Confident | 85 Ų | 85 | 56 Ų | 56 | 45% | 0.445 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -86.6 | -12.3 | 174.7 | -59.2 | 175.4 | 0 | 0 | 0 | 112.6 | N299 L302 A359 R360 | N299-L362 HydrophobicContact CB-CD2 4Å; N299-L362 HydrophobicContact CB-CG 4.42Å; L302-L362 HydrophobicContact CB-CD2 4.33Å; L302-L362 HydrophobicContact CD1-CD2 3.89Å; A359-L362 VanDerWaalsContact O-CB 3.32Å; A359-L362 WeakPolarHBondContact O-CB 3.13Å; A359-L362 PolarHBondContact O-N 3.19Å; R360-L362 PolarHBondContact O-N 3.49Å; R360-L362 VanDerWaalsContact O-N 3.15Å |
| 363 | H | 89.4 | Confident | 83.6 | Confident | 51 Ų | 51 | 55.1 Ų | 55.1 | 24% | 0.236 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -67 | 130.3 | 176 | -168.1 | -97.8 | 0 | 0 | 0 | 109.5 | Y337 R360 E365 V366 A367 | Y337-H363 AromaticContact CD1-CE1 3.55Å; Y337-H363 AromaticContact CD1-ND1 3.8Å; R360-H363 VanDerWaalsContact O-CB 3.27Å; R360-H363 WeakPolarHBondContact O-CB 3.34Å; R360-H363 PolarHBondContact O-N 3.47Å; H363-E365 IonicContact CE1-OE2 3.6Å; H363-E365 PolarHBondContact O-N 3.39Å; H363-E365 VanDerWaalsContact O-N 3.11Å; H363-V366 HydrophobicContact CB-CB 4.21Å; H363-V366 HydrophobicContact CB-CG2 4Å; H363-V366 PolarHBondContact O-N 2.94Å; H363-A367 VanDerWaalsContact O-CB 3.31Å; H363-A367 WeakPolarHBondContact O-CB 3.27Å; H363-A367 PolarHBondContact O-N 3.21Å |
| 364 | P | 90.1 | Very high | 85.7 | Confident | 83 Ų | 83 | 49.4 Ų | 49.4 | 54% | 0.539 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -54.9 | -36.4 | -172.8 | -28.6 | 35.2 | 0 | 0 | 0 | 114.3 | R368 | P364-R368 WeakPolarHBondContact O-CB 3.49Å; P364-R368 PolarHBondContact O-N 3.05Å |
| 365 | E | 90.6 | Very high | 87.7 | Confident | 88 Ų | 88 | 51.9 Ų | 51.9 | 41% | 0.411 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -77.9 | -41.8 | -177.1 | -59.1 | -171 | 157.3 | 0 | 0 | 112.4 | Y337 H363 A367 R368 R369 | Y337-E365 WeakPolarHBondContact CE1-OE2 3.41Å; Y337-E365 VanDerWaalsContact CZ-OE2 3.25Å; Y337-E365 PolarHBondContact OH-OE2 2.74Å; H363-E365 IonicContact CE1-OE2 3.6Å; H363-E365 PolarHBondContact O-N 3.39Å; H363-E365 VanDerWaalsContact O-N 3.11Å; E365-A367 VanDerWaalsContact C-N 3.33Å; E365-R368 PolarHBondContact O-N 2.78Å; E365-R369 WeakPolarHBondContact O-CB 3.45Å; E365-R369 PolarHBondContact O-N 3.06Å |
| 366 | V | 89.6 | Confident | 89.2 | Confident | 23 Ų | 23 | 50.1 Ų | 50.1 | 14% | 0.139 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 173.1 | 179.5 | 0 | 0 | 0 | 0 | 109.7 | Y337 R360 L361 H363 R368 R369 L370 | Y337-V366 HydrophobicContact CG-CG2 4.49Å; R360-V366 HydrophobicContact CG-CG1 4.49Å; R360-V366 WeakPolarHBondContact O-CB 3.25Å; R360-V366 WeakPolarHBondContact O-CG1 3.32Å; L361-V366 HydrophobicContact CD2-CG1 4.39Å; H363-V366 HydrophobicContact CB-CB 4.21Å; H363-V366 HydrophobicContact CB-CG2 4Å; H363-V366 PolarHBondContact O-N 2.94Å; V366-R368 PolarHBondContact O-N 3.47Å; V366-R369 PolarHBondContact O-N 3.27Å; V366-L370 WeakPolarHBondContact O-CB 3.38Å; V366-L370 PolarHBondContact O-N 2.83Å |
| 367 | A | 92 | Very high | 90.2 | Very high | 5 Ų | 5 | 52 Ų | 52 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | A303 H363 E365 L370 V371 | A303-A367 HydrophobicContact CB-CB 3.73Å; H363-A367 VanDerWaalsContact O-CB 3.31Å; H363-A367 WeakPolarHBondContact O-CB 3.27Å; H363-A367 PolarHBondContact O-N 3.21Å; E365-A367 VanDerWaalsContact C-N 3.33Å; A367-L370 WeakPolarHBondContact O-CB 3.32Å; A367-L370 PolarHBondContact O-N 3.19Å; A367-V371 WeakPolarHBondContact O-CG2 3.27Å; A367-V371 PolarHBondContact O-N 2.76Å |
| 368 | R | 92.9 | Very high | 90.7 | Very high | 137 Ų | 137 | 52 Ų | 52 | 52% | 0.517 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.3 | -47.3 | 177.4 | -169.4 | -175.6 | -60.9 | 135.3 | 1.6 | 111.5 | P364 E365 V366 L370 V371 T372 | P364-R368 WeakPolarHBondContact O-CB 3.49Å; P364-R368 PolarHBondContact O-N 3.05Å; E365-R368 PolarHBondContact O-N 2.78Å; V366-R368 PolarHBondContact O-N 3.47Å; R368-L370 VanDerWaalsContact C-N 3.33Å; R368-L370 PolarHBondContact O-N 3.39Å; R368-V371 PolarHBondContact O-N 3.45Å; R368-T372 PolarHBondContact O-N 3.06Å; R368-T372 PolarHBondContact O-OG1 3.36Å; R368-T372 VanDerWaalsContact O-OG1 3.11Å |
| 369 | R | 92.7 | Very high | 90.9 | Very high | 147 Ų | 147 | 58.9 Ų | 58.9 | 56% | 0.555 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -58.3 | -45.4 | 176.3 | -174.5 | 176.7 | 179.6 | -176.8 | -1.2 | 111.1 | E365 V366 V371 T372 L373 | E365-R369 WeakPolarHBondContact O-CB 3.45Å; E365-R369 PolarHBondContact O-N 3.06Å; V366-R369 PolarHBondContact O-N 3.27Å; R369-V371 PolarHBondContact O-N 3.3Å; R369-T372 PolarHBondContact O-N 3.24Å; R369-L373 WeakPolarHBondContact O-CG 3.45Å; R369-L373 PolarHBondContact O-N 2.71Å |
| 370 | L | 92.7 | Very high | 90.9 | Very high | 8 Ų | 8 | 61.8 Ų | 61.8 | 4% | 0.042 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.4 | -48.2 | 175.4 | -177.4 | 71.4 | 0 | 0 | 0 | 111.4 | A303 A319 A322 L361 V366 A367 R368 T372 L373 V374 | A303-L370 HydrophobicContact CB-CD2 4.08Å; A319-L370 HydrophobicContact CB-CD2 4.47Å; A322-L370 HydrophobicContact CB-CD1 3.59Å; L361-L370 HydrophobicContact CD2-CD2 4.34Å; V366-L370 WeakPolarHBondContact O-CB 3.38Å; V366-L370 PolarHBondContact O-N 2.83Å; A367-L370 WeakPolarHBondContact O-CB 3.32Å; A367-L370 PolarHBondContact O-N 3.19Å; R368-L370 VanDerWaalsContact C-N 3.33Å; R368-L370 PolarHBondContact O-N 3.39Å; L370-T372 VanDerWaalsContact C-N 3.35Å; L370-T372 PolarHBondContact O-N 3.04Å; L370-L373 WeakPolarHBondContact O-CB 3.28Å; L370-L373 PolarHBondContact O-N 3.3Å; L370-V374 WeakPolarHBondContact O-CG2 3.1Å; L370-V374 PolarHBondContact O-N 3.19Å |
| 371 | V | 93.4 | Very high | 90.1 | Very high | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.024 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.4 | -37.5 | 179.8 | 174.6 | 0 | 0 | 0 | 0 | 112 | A303 L304 N307 M309 A367 R368 R369 L373 V374 Q375 | A303-V371 WeakPolarHBondContact O-CG2 3.46Å; L304-V371 HydrophobicContact CD2-CG2 4.1Å; N307-V371 HydrophobicContact CB-CB 4.07Å; N307-V371 HydrophobicContact CB-CG1 3.92Å; N307-V371 HydrophobicContact CB-CG2 3.86Å; M309-V371 HydrophobicContact CB-CG1 4.02Å; M309-V371 HydrophobicContact CG-CG1 4.39Å; A367-V371 WeakPolarHBondContact O-CG2 3.27Å; A367-V371 PolarHBondContact O-N 2.76Å; R368-V371 PolarHBondContact O-N 3.45Å; R369-V371 PolarHBondContact O-N 3.3Å; V371-L373 VanDerWaalsContact C-N 3.34Å; V371-L373 PolarHBondContact O-N 2.66Å; V371-V374 PolarHBondContact O-N 3.42Å; V371-Q375 HydrophobicContact CG1-CG 4.39Å; V371-Q375 WeakPolarHBondContact O-CG 3.4Å; V371-Q375 PolarHBondContact O-N 3.47Å |
| 372 | T | 94.1 | Very high | 88.6 | Confident | 83 Ų | 83 | 77 Ų | 77 | 51% | 0.509 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 173.3 | -57.6 | 0 | 0 | 0 | 0 | 111.7 | R368 R369 L370 Q375 A376 | R368-T372 PolarHBondContact O-N 3.06Å; R368-T372 PolarHBondContact O-OG1 3.36Å; R368-T372 VanDerWaalsContact O-OG1 3.11Å; R369-T372 PolarHBondContact O-N 3.24Å; L370-T372 VanDerWaalsContact C-N 3.35Å; L370-T372 PolarHBondContact O-N 3.04Å; T372-Q375 PolarHBondContact O-N 3.37Å; T372-A376 WeakPolarHBondContact O-CB 3.27Å; T372-A376 PolarHBondContact O-N 3.22Å |
| 373 | L | 93 | Very high | 88.6 | Confident | 82 Ų | 82 | 76.7 Ų | 76.7 | 43% | 0.429 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.1 | -41.8 | 175.1 | -68.1 | 173.9 | 0 | 0 | 0 | 112 | A322 R369 L370 V371 A376 K377 | A322-L373 HydrophobicContact CB-CB 4.46Å; R369-L373 WeakPolarHBondContact O-CG 3.45Å; R369-L373 PolarHBondContact O-N 2.71Å; L370-L373 WeakPolarHBondContact O-CB 3.28Å; L370-L373 PolarHBondContact O-N 3.3Å; V371-L373 VanDerWaalsContact C-N 3.34Å; V371-L373 PolarHBondContact O-N 2.66Å; L373-A376 PolarHBondContact O-N 2.87Å; L373-K377 PolarHBondContact O-N 3.48Å |
| 374 | V | 93.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.2 | -45 | 176 | 169.9 | 0 | 0 | 0 | 0 | 111 | L304 M309 A319 L370 V371 A376 K377 L378 | L304-V374 HydrophobicContact CD2-CG1 4.1Å; M309-V374 HydrophobicContact CE-CG1 4.41Å; A319-V374 VanDerWaalsContact CA-CG2 3.48Å; A319-V374 HydrophobicContact CB-CG2 3.77Å; L370-V374 WeakPolarHBondContact O-CG2 3.1Å; L370-V374 PolarHBondContact O-N 3.19Å; V371-V374 PolarHBondContact O-N 3.42Å; V374-A376 VanDerWaalsContact C-N 3.32Å; V374-A376 PolarHBondContact O-N 3.22Å; V374-K377 PolarHBondContact O-N 3.46Å; V374-L378 HydrophobicContact CG1-CD1 3.67Å; V374-L378 HydrophobicContact CG1-CG 4.29Å; V374-L378 WeakPolarHBondContact O-CB 3.16Å; V374-L378 VanDerWaalsContact O-CG 3.26Å; V374-L378 WeakPolarHBondContact O-CG 3.39Å; V374-L378 PolarHBondContact O-N 3.43Å |
| 375 | Q | 93.7 | Very high | 88.5 | Confident | 76 Ų | 76 | 77.7 Ų | 77.7 | 36% | 0.355 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.7 | -39 | 176.3 | -74 | 178.1 | -3.7 | 0 | 0 | 112.3 | M309 V371 T372 K379 | M309-Q375 HydrophobicContact CE-CG 4.19Å; M309-Q375 HydrophobicContact SD-CG 3.73Å; V371-Q375 HydrophobicContact CG1-CG 4.39Å; V371-Q375 WeakPolarHBondContact O-CG 3.4Å; V371-Q375 PolarHBondContact O-N 3.47Å; T372-Q375 PolarHBondContact O-N 3.37Å; Q375-K379 WeakPolarHBondContact O-CB 3.4Å; Q375-K379 VanDerWaalsContact O-CG 3.27Å; Q375-K379 WeakPolarHBondContact O-CG 3.19Å; Q375-K379 PolarHBondContact O-N 3.47Å; Q375-K379 VanDerWaalsContact O-N 3.09Å |
| 376 | A | 93 | Very high | 88.4 | Confident | 59 Ų | 59 | 77.1 Ų | 77.1 | 49% | 0.488 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.6 | -48 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | T372 L373 V374 K379 S380 | T372-A376 WeakPolarHBondContact O-CB 3.27Å; T372-A376 PolarHBondContact O-N 3.22Å; L373-A376 PolarHBondContact O-N 2.87Å; V374-A376 VanDerWaalsContact C-N 3.32Å; V374-A376 PolarHBondContact O-N 3.22Å; A376-K379 PolarHBondContact O-N 3.16Å; A376-S380 PolarHBondContact O-N 2.61Å; A376-S380 VanDerWaalsContact O-N 3.13Å |
| 377 | K | 92.3 | Very high | 88.3 | Confident | 73 Ų | 73 | 80.5 Ų | 80.5 | 32% | 0.317 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 176.4 | -78.7 | -168.6 | 169.8 | -169.4 | 0 | 112.4 | E321 L373 V374 K379 S380 D381 | E321-K377 IonicContact OE2-NZ 3.64Å; E321-K377 PolarHBondContact OE2-NZ 2.8Å; L373-K377 PolarHBondContact O-N 3.48Å; V374-K377 PolarHBondContact O-N 3.46Å; K377-K379 PolarHBondContact O-N 3.32Å; K377-S380 PolarHBondContact O-N 3.39Å; K377-S380 VanDerWaalsContact O-N 3.16Å; K377-S380 PolarHBondContact O-OG 2.68Å; K377-D381 PolarHBondContact O-N 3.28Å |
| 378 | L | 91.2 | Very high | 88.1 | Confident | 15 Ų | 15 | 85.5 Ų | 85.5 | 8% | 0.079 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -67 | -27.9 | -179.8 | -70.8 | 172 | 0 | 0 | 0 | 112.6 | M309 W312 T314 T318 V374 Y382 | M309-L378 HydrophobicContact CE-CD1 3.44Å; M309-L378 VanDerWaalsContact CE-CD1 3.44Å; W312-L378 HydrophobicContact CH2-CD1 3.62Å; W312-L378 HydrophobicContact CZ2-CD1 3.8Å; W312-L378 HydrophobicContact CZ2-CD2 3.99Å; T314-L378 HydrophobicContact CG2-CD2 3.9Å; T318-L378 HydrophobicContact CG2-CD2 4.23Å; V374-L378 HydrophobicContact CG1-CD1 3.67Å; V374-L378 HydrophobicContact CG1-CG 4.29Å; V374-L378 WeakPolarHBondContact O-CB 3.16Å; V374-L378 VanDerWaalsContact O-CG 3.26Å; V374-L378 WeakPolarHBondContact O-CG 3.39Å; V374-L378 PolarHBondContact O-N 3.43Å; L378-Y382 WeakPolarHBondContact O-CD2 3.29Å |
| 379 | K | 89.1 | Confident | 87.7 | Confident | 157 Ų | 157 | 81.9 Ų | 81.9 | 68% | 0.683 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -77.3 | -25.8 | 173.9 | -76.7 | 177.2 | -179.3 | -178.9 | 0 | 113.3 | Q375 A376 K377 Y382 | Q375-K379 WeakPolarHBondContact O-CB 3.4Å; Q375-K379 VanDerWaalsContact O-CG 3.27Å; Q375-K379 WeakPolarHBondContact O-CG 3.19Å; Q375-K379 PolarHBondContact O-N 3.47Å; Q375-K379 VanDerWaalsContact O-N 3.09Å; A376-K379 PolarHBondContact O-N 3.16Å; K377-K379 PolarHBondContact O-N 3.32Å; K379-Y382 VanDerWaalsContact O-OXT 3.1Å |
| 380 | S | 83.5 | Confident | 87.4 | Confident | 85 Ų | 85 | 76.8 Ų | 76.8 | 59% | 0.594 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -78.4 | -21.5 | 178.3 | 58.2 | 0 | 0 | 0 | 0 | 113.5 | A376 K377 Y382 | A376-S380 PolarHBondContact O-N 2.61Å; A376-S380 VanDerWaalsContact O-N 3.13Å; K377-S380 PolarHBondContact O-N 3.39Å; K377-S380 VanDerWaalsContact O-N 3.16Å; K377-S380 PolarHBondContact O-OG 2.68Å; S380-Y382 VanDerWaalsContact C-N 3.3Å |
| 381 | D | 70.8 | Confident | 86.9 | Confident | 119 Ų | 119 | 82.6 Ų | 82.6 | 64% | 0.636 | 42% | 0.421 | S | S | * | . | trans | -83.6 | -6.3 | 179.3 | -65.8 | -14.7 | 0 | 0 | 0 | 113.1 | K377 | K377-D381 PolarHBondContact O-N 3.28Š| ||
| 382 | Y | 55 | Low | 86.3 | Confident | 238 Ų | 238 | 89.7 Ų | 89.7 | 93% | 0.933 | 46% | 0.457 | S | S | * | . | trans | -110.8 | 0 | 172 | -72.8 | -72.2 | 0 | 0 | 0 | 110 | L378 K379 S380 | L378-Y382 WeakPolarHBondContact O-CD2 3.29Å; K379-Y382 VanDerWaalsContact O-OXT 3.1Å; S380-Y382 VanDerWaalsContact C-N 3.3Å |
Retrieved 382 of 382 residues in 274 ms
(Link to these results)