| 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 | 43.8 | Very low | 47.7 | Very low | 247 Ų | 247 | 143.6 Ų | 143.6 | 100% | 1.217 | 80% | 0.796 | S | S | * | * | 0 | 115.1 | 0 | -77.6 | 177.8 | -87.5 | 0 | 0 | 108.4 | |||||
| 2 | A | 40.8 | Very low | 47.9 | Very low | 89 Ų | 89 | 140 Ų | 140 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | trans | -177 | 98.3 | 164.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 3 | G | 42.2 | Very low | 48.3 | Very low | 81 Ų | 81 | 139.2 Ų | 139.2 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | -92.6 | 116.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | S5 | G3-S5 PolarHBondContact O-N 2.79Š| ||
| 4 | F | 44.1 | Very low | 48.6 | Very low | 196 Ų | 196 | 139.1 Ų | 139.1 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | -84.7 | 98.6 | 172.1 | -79.6 | -86.8 | 0 | 0 | 0 | 109.9 | T6 | F4-T6 PolarHBondContact O-N 3.27Š| ||
| 5 | S | 46 | Very low | 48.4 | Very low | 94 Ų | 94 | 136.5 Ų | 136.5 | 66% | 0.657 | 78% | 0.775 | S | S | * | * | trans | -79.8 | 101.9 | 176.1 | -170.5 | 0 | 0 | 0 | 0 | 110.6 | G3 F7 | G3-S5 PolarHBondContact O-N 2.79Å; S5-F7 PolarHBondContact O-N 3.11Å; S5-F7 VanDerWaalsContact O-N 3.15Å | ||
| 6 | T | 51.3 | Low | 48.3 | Very low | 123 Ų | 123 | 137.9 Ų | 137.9 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | -76.6 | 94.8 | 176.3 | 48.7 | 0 | 0 | 0 | 0 | 111.1 | F4 I8 | F4-T6 PolarHBondContact O-N 3.27Å; T6-I8 PolarHBondContact O-N 3.38Å | ||
| 7 | F | 48.8 | Very low | 48.4 | Very low | 180 Ų | 180 | 137.4 Ų | 137.4 | 79% | 0.789 | 77% | 0.768 | S | S | * | * | trans | -71.9 | 103.5 | 171 | -82 | -89.5 | 0 | 0 | 0 | 110.9 | S5 I9 | S5-F7 PolarHBondContact O-N 3.11Å; S5-F7 VanDerWaalsContact O-N 3.15Å; F7-I9 PolarHBondContact O-N 3.03Å | ||
| 8 | I | 54.5 | Low | 48.4 | Very low | 135 Ų | 135 | 136 Ų | 136 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | trans | -79.5 | 105.3 | 168.4 | -61.4 | 177.1 | 0 | 0 | 0 | 108.1 | T6 F10 | T6-I8 PolarHBondContact O-N 3.38Å; I8-F10 HydrophobicContact CG2-CD2 3.88Å; I8-F10 HydrophobicContact CG2-CE2 3.89Å; I8-F10 PolarHBondContact O-N 3.49Å | ||
| 9 | I | 51.9 | Low | 48.5 | Very low | 138 Ų | 138 | 134.7 Ų | 134.7 | 71% | 0.708 | 76% | 0.761 | S | S | * | * | trans | -81.6 | 100.9 | 174.6 | -56.2 | 177.9 | 0 | 0 | 0 | 108.5 | F7 T11 | F7-I9 PolarHBondContact O-N 3.03Å; I9-T11 HydrophobicContact CG2-CG2 4.15Å; I9-T11 PolarHBondContact O-N 3.28Å; I9-T11 VanDerWaalsContact O-N 3.1Å | ||
| 10 | F | 49.3 | Very low | 48.7 | Very low | 182 Ų | 182 | 133.1 Ų | 133.1 | 80% | 0.798 | 75% | 0.754 | S | S | * | * | trans | -72.7 | 95.1 | 166.3 | -92.6 | -90.1 | 0 | 0 | 0 | 109.8 | I8 S12 | I8-F10 HydrophobicContact CG2-CD2 3.88Å; I8-F10 HydrophobicContact CG2-CE2 3.89Å; I8-F10 PolarHBondContact O-N 3.49Å; F10-S12 VanDerWaalsContact C-N 3.35Å; F10-S12 PolarHBondContact O-N 3.04Å | ||
| 11 | T | 51.9 | Low | 49.1 | Very low | 115 Ų | 115 | 129.4 Ų | 129.4 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | trans | -73.8 | 88.4 | 166.8 | 40.2 | 0 | 0 | 0 | 0 | 109.8 | I9 V13 | I9-T11 HydrophobicContact CG2-CG2 4.15Å; I9-T11 PolarHBondContact O-N 3.28Å; I9-T11 VanDerWaalsContact O-N 3.1Å; T11-V13 PolarHBondContact O-N 2.98Å | ||
| 12 | S | 50.8 | Low | 50.4 | Low | 100 Ų | 100 | 121.4 Ų | 121.4 | 70% | 0.699 | 71% | 0.705 | S | S | * | * | trans | -66.1 | 91.8 | 172.1 | 40 | 0 | 0 | 0 | 0 | 110.6 | F10 L14 | F10-S12 VanDerWaalsContact C-N 3.35Å; F10-S12 PolarHBondContact O-N 3.04Å; S12-L14 VanDerWaalsContact C-N 3.26Å; S12-L14 PolarHBondContact O-N 2.99Å | ||
| 13 | V | 52.9 | Low | 52.1 | Low | 129 Ų | 129 | 120.4 Ų | 120.4 | 78% | 0.782 | 69% | 0.693 | S | S | * | * | trans | -67.5 | 87.3 | 172.3 | -177.5 | 0 | 0 | 0 | 0 | 108.9 | T11 C15 | T11-V13 PolarHBondContact O-N 2.98Å; V13-C15 PolarHBondContact O-N 3.14Å | ||
| 14 | L | 52.2 | Low | 53.8 | Low | 139 Ų | 139 | 117.3 Ų | 117.3 | 73% | 0.728 | 66% | 0.661 | S | S | * | * | trans | -65.4 | 88.4 | 165.5 | -87.1 | 162.2 | 0 | 0 | 0 | 108.3 | S12 Q16 | S12-L14 VanDerWaalsContact C-N 3.26Å; S12-L14 PolarHBondContact O-N 2.99Å; L14-Q16 PolarHBondContact O-N 3.27Å | ||
| 15 | C | 46.3 | Very low | 55.8 | Low | 99 Ų | 99 | 112.9 Ų | 112.9 | 67% | 0.669 | 65% | 0.652 | S | S | * | * | trans | -70.9 | 72.9 | 171.5 | -164.2 | 0 | 0 | 0 | 0 | 109.4 | V13 L17 | V13-C15 PolarHBondContact O-N 3.14Å; C15-L17 VanDerWaalsContact C-N 3.29Å; C15-L17 PolarHBondContact O-N 3.29Å | ||
| 16 | Q | 46.8 | Very low | 57.9 | Low | 160 Ų | 160 | 113.3 Ų | 113.3 | 75% | 0.748 | 65% | 0.646 | S | S | * | * | trans | -70.9 | 90.8 | 166 | -68.1 | -171.4 | -3.7 | 0 | 0 | 107.5 | L14 P18 | L14-Q16 PolarHBondContact O-N 3.27Å; Q16-P18 VanDerWaalsContact O-CD 3.28Å; Q16-P18 WeakPolarHBondContact O-CD 3.26Å | ||
| 17 | L | 49.5 | Very low | 60 | Low | 128 Ų | 128 | 110.6 Ų | 110.6 | 67% | 0.67 | 62% | 0.624 | S | S | * | * | trans | -60.4 | 121.6 | 159 | -76.4 | 87.1 | 0 | 0 | 0 | 106.7 | C15 V19 | C15-L17 VanDerWaalsContact C-N 3.29Å; C15-L17 PolarHBondContact O-N 3.29Å; L17-V19 HydrophobicContact CB-CG2 4.41Å; L17-V19 PolarHBondContact O-N 3.21Å | ||
| 18 | P | 48.4 | Very low | 62.2 | Low | 113 Ų | 113 | 109.1 Ų | 109.1 | 73% | 0.734 | 62% | 0.62 | S | S | * | * | trans | -71.8 | 85.9 | 169.9 | 30.7 | -32.7 | 0 | 0 | 0 | 107.8 | Q16 T20 | Q16-P18 VanDerWaalsContact O-CD 3.28Å; Q16-P18 WeakPolarHBondContact O-CD 3.26Å; P18-T20 PolarHBondContact O-N 3.42Å | ||
| 19 | V | 50.7 | Low | 64.2 | Low | 111 Ų | 111 | 104 Ų | 104 | 67% | 0.673 | 59% | 0.594 | S | S | * | * | trans | -69.9 | 82.2 | 166.1 | -176.9 | 0 | 0 | 0 | 0 | 106.8 | L17 A21 | L17-V19 HydrophobicContact CB-CG2 4.41Å; L17-V19 PolarHBondContact O-N 3.21Å; V19-A21 PolarHBondContact O-N 3.32Å | ||
| 20 | T | 51 | Low | 66.3 | Low | 103 Ų | 103 | 100.3 Ų | 100.3 | 63% | 0.632 | 58% | 0.578 | S | S | * | * | trans | -68.4 | 85.5 | 171.6 | 50.4 | 0 | 0 | 0 | 0 | 108 | P18 T22 S112 | P18-T20 PolarHBondContact O-N 3.42Å; T20-T22 PolarHBondContact O-N 2.73Å; T20-S112 PolarHBondContact O-OG 3.13Å | ||
| 21 | A | 58.2 | Low | 68.5 | Low | 55 Ų | 55 | 91.9 Ų | 91.9 | 46% | 0.455 | 54% | 0.542 | S | S | . | . | trans | -66.6 | 108.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | V19 S23 | V19-A21 PolarHBondContact O-N 3.32Å; A21-S23 PolarHBondContact O-N 3.04Å; A21-S23 VanDerWaalsContact O-N 3.15Å | ||
| 22 | T | 70.8 | Confident | 70.5 | Confident | 80 Ų | 80 | 88 Ų | 88 | 49% | 0.491 | 52% | 0.522 | S | S | . | . | trans | -70.8 | 111.1 | 179.9 | -53.8 | 0 | 0 | 0 | 0 | 108.5 | T20 F114 T115 | T20-T22 PolarHBondContact O-N 2.73Å; T22-F114 HydrophobicContact CG2-CD2 3.75Å; T22-F114 HydrophobicContact CG2-CE2 3.94Å; T22-F114 CarbonylContact O-C 3.57Å; T22-F114 VanDerWaalsContact O-CA 3.32Å; T22-F114 WeakPolarHBondContact O-CA 3.25Å; T22-F114 VanDerWaalsContact O-CD2 3.25Å; T22-F114 WeakPolarHBondContact O-CD2 3.49Å; T22-T115 PolarHBondContact O-N 3.02Å | ||
| 23 | S | 75.8 | Confident | 72.6 | Confident | 68 Ų | 68 | 87.1 Ų | 87.1 | 48% | 0.476 | 51% | 0.509 | S | S | . | . | B | Isolated β-bridge | trans | -103.7 | 136.1 | 177.7 | -155.9 | 0 | 0 | 0 | 0 | 111 | A21 T115 | A21-S23 PolarHBondContact O-N 3.04Å; A21-S23 VanDerWaalsContact O-N 3.15Å; S23-T115 CarbonylContact C-O 3.58Å; S23-T115 WeakPolarHBondContact CA-O 3.43Å |
| 24 | G | 78.4 | Confident | 74.6 | Confident | 16 Ų | 16 | 83.6 Ų | 83.6 | 17% | 0.165 | 50% | 0.499 | C | S | . | . | P | Polyproline II helix | trans | -76 | 170.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T115 | G24-T115 PolarHBondContact N-O 2.88Š|
| 25 | P | 85.7 | Confident | 76.6 | Confident | 103 Ų | 103 | 78.3 Ų | 78.3 | 67% | 0.669 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -64 | 141.3 | 174.9 | 28.2 | -34.8 | 0 | 0 | 0 | 111.1 | ||
| 26 | L | 91.4 | Very high | 79 | Confident | 102 Ų | 102 | 76.4 Ų | 76.4 | 53% | 0.534 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 131.9 | 172.1 | -174.9 | 65.2 | 0 | 0 | 0 | 110 | E117 V119 | L26-E117 HydrophobicContact CD1-CB 3.56Å; L26-V119 HydrophobicContact CD1-CG2 3.84Å; L26-V119 HydrophobicContact CD2-CG2 3.89Å; L26-V119 HydrophobicContact CG-CG2 4.05Å |
| 27 | K | 94.4 | Very high | 81.3 | Confident | 67 Ų | 67 | 69.4 Ų | 69.4 | 29% | 0.291 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 115.4 | -178.9 | -68 | 178.8 | -178.3 | 175.9 | 0 | 111.7 | S42 E117 Y118 V119 | K27-S42 PolarHBondContact NZ-OG 3.27Å; K27-E117 PolarHBondContact N-O 3.35Å; K27-Y118 HydrophobicContact CB-CD1 3.74Å; K27-Y118 HydrophobicContact CB-CE1 4.38Å; K27-Y118 HydrophobicContact CB-CG 4.4Å; K27-Y118 HydrophobicContact CD-CD1 4.27Å; K27-Y118 HydrophobicContact CD-CE1 4.06Å; K27-Y118 CarbonylContact O-C 3.53Å; K27-Y118 WeakPolarHBondContact O-CA 3.45Å; K27-Y118 WeakPolarHBondContact O-CB 3.28Å; K27-V119 PolarHBondContact O-N 3.31Å |
| 28 | E | 95.2 | Very high | 83.5 | Confident | 149 Ų | 149 | 66.2 Ų | 66.2 | 70% | 0.696 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 136.2 | 169.3 | -66 | -178 | -172.1 | 0 | 0 | 110.5 | Y121 | E28-Y121 HydrophobicContact CG-CE2 4.3Å |
| 29 | V | 96.2 | Very high | 85.7 | Confident | 26 Ų | 26 | 60.8 Ų | 60.8 | 16% | 0.158 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 131.9 | 178.5 | -177.9 | 0 | 0 | 0 | 0 | 108.1 | V37 F39 Y118 V119 L120 Y121 | V29-V37 HydrophobicContact CG1-CB 3.97Å; V29-V37 HydrophobicContact CG1-CG1 3.93Å; V29-V37 HydrophobicContact CG1-CG2 4.38Å; V29-F39 HydrophobicContact CB-CE1 4.38Å; V29-F39 HydrophobicContact CG1-CE1 4.4Å; V29-F39 HydrophobicContact CG2-CD1 4.23Å; V29-F39 HydrophobicContact CG2-CE1 4.29Å; V29-Y118 HydrophobicContact CG2-CD1 3.77Å; V29-Y118 HydrophobicContact CG2-CG 4.4Å; V29-V119 PolarHBondContact N-O 2.94Å; V29-L120 HydrophobicContact CB-CD1 4.28Å; V29-L120 HydrophobicContact CG1-CD1 3.99Å; V29-L120 WeakPolarHBondContact O-CA 3.4Å; V29-L120 WeakPolarHBondContact O-CD1 3.5Å; V29-Y121 PolarHBondContact O-N 3.29Å |
| 30 | V | 95.8 | Very high | 87.7 | Confident | 62 Ų | 62 | 59 Ų | 59 | 38% | 0.376 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 132.2 | -178.4 | 179.5 | 0 | 0 | 0 | 0 | 108.7 | V37 Y123 P198 I199 | V30-V37 WeakPolarHBondContact O-CG1 3.3Å; V30-Y123 HydrophobicContact CG1-CD2 3.86Å; V30-Y123 HydrophobicContact CG1-CE2 4.05Å; V30-P198 HydrophobicContact CG1-CB 3.75Å; V30-P198 HydrophobicContact CG2-CB 4.2Å; V30-I199 HydrophobicContact CG1-CG2 3.37Å |
| 31 | G | 95.4 | Very high | 89.5 | Confident | 4 Ų | 4 | 55.5 Ų | 55.5 | 4% | 0.041 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 148.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y121 V122 Y123 | G31-Y121 PolarHBondContact N-O 2.99Å; G31-V122 WeakPolarHBondContact O-CA 3.41Å; G31-Y123 PolarHBondContact O-N 2.91Å |
| 32 | A | 94.8 | Very high | 90.7 | Very high | 34 Ų | 34 | 55.6 Ų | 55.6 | 28% | 0.281 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 144.9 | 170 | 0 | 0 | 0 | 0 | 0 | 111.2 | G34 G35 Y123 I199 | A32-G34 PolarHBondContact O-N 3.38Å; A32-G35 WeakPolarHBondContact O-CA 3.46Å; A32-G35 PolarHBondContact O-N 3.37Å; A32-Y123 CarbonylContact C-O 3.57Å; A32-Y123 WeakPolarHBondContact CA-O 3.4Å; A32-I199 HydrophobicContact CB-CD1 3.61Å |
| 33 | L | 93.8 | Very high | 91 | Very high | 81 Ų | 81 | 53.3 Ų | 53.3 | 42% | 0.424 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 134.9 | 171.8 | -163.3 | 83 | 0 | 0 | 0 | 110.6 | G35 K95 V122 Y123 E124 | L33-G35 PolarHBondContact O-N 2.93Å; L33-G35 VanDerWaalsContact O-N 3.1Å; L33-K95 HydrophobicContact CD1-CG 4.37Å; L33-V122 HydrophobicContact CD1-CG1 4.21Å; L33-Y123 PolarHBondContact N-O 2.84Å; L33-E124 HydrophobicContact CB-CG 4.08Å; L33-E124 HydrophobicContact CD2-CG 3.79Å; L33-E124 HydrophobicContact CG-CG 4.39Å |
| 34 | G | 94.9 | Very high | 90.7 | Very high | 55 Ų | 55 | 55.4 Ų | 55.4 | 57% | 0.567 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.2 | -15.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | A32 Q92 L93 | A32-G34 PolarHBondContact O-N 3.38Å; G34-Q92 WeakPolarHBondContact O-CA 3.36Å; G34-L93 PolarHBondContact N-O 3.14Å |
| 35 | G | 95.6 | Very high | 90.3 | Very high | 28 Ų | 28 | 58.1 Ų | 58.1 | 29% | 0.289 | 35% | 0.354 | S | S | . | . | trans | -76.1 | -159.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | A32 L33 S91 Q92 L93 | A32-G35 WeakPolarHBondContact O-CA 3.46Å; A32-G35 PolarHBondContact O-N 3.37Å; L33-G35 PolarHBondContact O-N 2.93Å; L33-G35 VanDerWaalsContact O-N 3.1Å; G35-S91 CarbonylContact O-C 3.56Å; G35-Q92 PolarHBondContact O-N 2.77Å; G35-L93 PolarHBondContact O-N 2.99Å; G35-L93 VanDerWaalsContact O-N 3.17Å | ||
| 36 | S | 95.8 | Very high | 89.5 | Confident | 59 Ų | 59 | 63.8 Ų | 63.8 | 41% | 0.413 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 147.9 | 176 | 70.3 | 0 | 0 | 0 | 0 | 112.5 | K89 L90 | S36-K89 VanDerWaalsContact OG-CE 3.26Å; S36-K89 WeakPolarHBondContact OG-CE 2.9Å; S36-L90 CarbonylContact C-O 3.5Å; S36-L90 WeakPolarHBondContact CA-O 3.47Å; S36-L90 VanDerWaalsContact CB-O 3.24Å; S36-L90 WeakPolarHBondContact CB-O 3.27Å |
| 37 | V | 95.8 | Very high | 89 | Confident | 13 Ų | 13 | 64 Ų | 64 | 8% | 0.079 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 156.2 | 173.5 | -67.6 | 0 | 0 | 0 | 0 | 110.6 | V29 V30 F39 K89 L90 L93 L120 | V29-V37 HydrophobicContact CG1-CB 3.97Å; V29-V37 HydrophobicContact CG1-CG1 3.93Å; V29-V37 HydrophobicContact CG1-CG2 4.38Å; V30-V37 WeakPolarHBondContact O-CG1 3.3Å; V37-F39 HydrophobicContact CG2-CE1 4.5Å; V37-F39 HydrophobicContact CG2-CE2 4.02Å; V37-F39 HydrophobicContact CG2-CZ 3.91Å; V37-K89 WeakPolarHBondContact O-CA 3.09Å; V37-L90 HydrophobicContact CG2-CB 4.44Å; V37-L90 PolarHBondContact N-O 2.81Å; V37-L90 PolarHBondContact O-N 3.26Å; V37-L93 HydrophobicContact CG1-CD1 3.96Å; V37-L93 HydrophobicContact CG2-CD1 4.18Å; V37-L93 HydrophobicContact CG2-CD2 4.38Å; V37-L120 HydrophobicContact CG1-CD1 4.15Å; V37-L120 HydrophobicContact CG2-CD1 4.01Å; V37-L120 HydrophobicContact CG2-CD2 4.09Å |
| 38 | T | 95.3 | Very high | 88.7 | Confident | 61 Ų | 61 | 61.9 Ų | 61.9 | 37% | 0.374 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 120.7 | 175.3 | -54.4 | 0 | 0 | 0 | 0 | 109.8 | T40 M88 | T38-T40 HydrophobicContact CG2-CG2 4.32Å; T38-T40 PolarHBondContact O-N 2.98Å; T38-M88 CarbonylContact C-O 3.58Å; T38-M88 WeakPolarHBondContact CA-O 3.49Å |
| 39 | F | 94.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 102.7 | 177.2 | -56.5 | -79.5 | 0 | 0 | 0 | 109.3 | V29 V37 V41 W53 S87 M88 L90 Y101 Y118 L120 | V29-F39 HydrophobicContact CB-CE1 4.38Å; V29-F39 HydrophobicContact CG1-CE1 4.4Å; V29-F39 HydrophobicContact CG2-CD1 4.23Å; V29-F39 HydrophobicContact CG2-CE1 4.29Å; V37-F39 HydrophobicContact CG2-CE1 4.5Å; V37-F39 HydrophobicContact CG2-CE2 4.02Å; V37-F39 HydrophobicContact CG2-CZ 3.91Å; F39-V41 PolarHBondContact O-N 3.33Å; F39-W53 HydrophobicContact CB-CH2 3.31Å; F39-W53 HydrophobicContact CB-CZ2 4.27Å; F39-W53 HydrophobicContact CB-CZ3 3.66Å; F39-W53 HydrophobicContact CG-CH2 4.32Å; F39-W53 HydrophobicContact CG-CZ3 4.21Å; F39-S87 WeakPolarHBondContact O-CA 3.47Å; F39-S87 WeakPolarHBondContact O-CB 3.4Å; F39-M88 HydrophobicContact CD2-CB 4.34Å; F39-M88 HydrophobicContact CD2-CE 3.74Å; F39-M88 WeakPolarHBondContact CD2-O 3.33Å; F39-M88 HydrophobicContact CE2-CE 3.95Å; F39-M88 PolarHBondContact N-O 3.22Å; F39-M88 PolarHBondContact O-N 2.89Å; F39-L90 HydrophobicContact CE2-CB 4.09Å; F39-L90 HydrophobicContact CE2-CD2 4.49Å; F39-Y101 AromaticContact CE1-CD2 3.86Å; F39-Y101 HydrophobicContact CE1-CD2 3.86Å; F39-Y101 AromaticContact CE1-CG 3.93Å; F39-Y101 HydrophobicContact CE1-CG 3.93Å; F39-Y101 AromaticContact CE2-CD1 3.97Å; F39-Y101 HydrophobicContact CE2-CD1 3.97Å; F39-Y101 HydrophobicContact CE2-CD2 4.35Å; F39-Y101 HydrophobicContact CE2-CE1 4.19Å; F39-Y101 HydrophobicContact CE2-CG 4.05Å; F39-Y101 AromaticContact CZ-CD1 3.95Å; F39-Y101 HydrophobicContact CZ-CD1 3.95Å; F39-Y101 AromaticContact CZ-CD2 3.51Å; F39-Y101 HydrophobicContact CZ-CD2 3.51Å; F39-Y101 HydrophobicContact CZ-CE1 4.21Å; F39-Y101 AromaticContact CZ-CE2 3.82Å; F39-Y101 HydrophobicContact CZ-CE2 3.82Å; F39-Y101 AromaticContact CZ-CG 3.58Å; F39-Y101 HydrophobicContact CZ-CG 3.58Å; F39-Y118 VanDerWaalsContact C-OH 3.25Å; F39-Y118 HydrophobicContact CB-CD1 4.47Å; F39-Y118 HydrophobicContact CB-CD2 4.38Å; F39-Y118 HydrophobicContact CB-CE1 4.03Å; F39-Y118 HydrophobicContact CB-CE2 3.97Å; F39-Y118 AromaticContact CD1-CD1 3.85Å; F39-Y118 HydrophobicContact CD1-CD1 3.85Å; F39-Y118 HydrophobicContact CD1-CD2 4.05Å; F39-Y118 HydrophobicContact CD1-CE1 4.26Å; F39-Y118 HydrophobicContact CD1-CE2 4.47Å; F39-Y118 AromaticContact CD1-CG 3.72Å; F39-Y118 HydrophobicContact CD1-CG 3.72Å; F39-Y118 HydrophobicContact CE1-CG 4.41Å; F39-L120 HydrophobicContact CE1-CB 4.34Å; F39-L120 HydrophobicContact CZ-CB 4.25Å; F39-L120 HydrophobicContact CZ-CD2 4.09Å |
| 40 | T | 92.4 | Very high | 88.2 | Confident | 74 Ų | 74 | 57.8 Ų | 57.8 | 45% | 0.454 | 34% | 0.341 | S | S | . | . | trans | -85 | 107.6 | -169.7 | 48.2 | 0 | 0 | 0 | 0 | 113.8 | T38 S42 Q116 Y118 | T38-T40 HydrophobicContact CG2-CG2 4.32Å; T38-T40 PolarHBondContact O-N 2.98Å; T40-S42 PolarHBondContact O-N 3.46Å; T40-S42 PolarHBondContact O-OG 3.14Å; T40-S42 VanDerWaalsContact O-OG 3.05Å; T40-Q116 PolarHBondContact O-NE2 3.04Å; T40-Y118 PolarHBondContact N-OH 3.3Å; T40-Y118 VanDerWaalsContact N-OH 3.16Å; T40-Y118 PolarHBondContact O-OH 3.48Å | ||
| 41 | V | 89.6 | Confident | 88.1 | Confident | 28 Ų | 28 | 54.8 Ų | 54.8 | 17% | 0.17 | 32% | 0.323 | C | S | . | . | trans | -60.5 | 121.9 | 175.5 | 176 | 0 | 0 | 0 | 0 | 109.6 | F39 I48 W53 Y86 S87 I105 | F39-V41 PolarHBondContact O-N 3.33Å; V41-I48 HydrophobicContact CG1-CD1 4.09Å; V41-W53 HydrophobicContact CG2-CH2 4.42Å; V41-W53 HydrophobicContact CG2-CZ2 3.67Å; V41-Y86 WeakPolarHBondContact CG2-O 3.37Å; V41-S87 PolarHBondContact N-OG 2.88Å; V41-S87 VanDerWaalsContact N-OG 3.1Å; V41-I105 HydrophobicContact CG1-CD1 3.62Å | ||
| 42 | S | 83.1 | Confident | 88 | Confident | 57 Ų | 57 | 56.6 Ų | 56.6 | 40% | 0.399 | 33% | 0.331 | S | S | . | . | trans | -124 | 92.5 | -176 | -52.9 | 0 | 0 | 0 | 0 | 108.7 | K27 T40 | K27-S42 PolarHBondContact NZ-OG 3.27Å; T40-S42 PolarHBondContact O-N 3.46Å; T40-S42 PolarHBondContact O-OG 3.14Å; T40-S42 VanDerWaalsContact O-OG 3.05Å | ||
| 43 | F | 77.9 | Confident | 88.1 | Confident | 32 Ų | 32 | 55 Ų | 55 | 14% | 0.14 | 32% | 0.318 | C | S | . | . | trans | -121.6 | 134 | -174.7 | -169.4 | -121 | 0 | 0 | 0 | 110.4 | E45 Q47 I48 I105 L110 F114 | F43-E45 HydrophobicContact CD1-CB 4.11Å; F43-E45 WeakPolarHBondContact CD1-O 3.48Å; F43-E45 HydrophobicContact CE1-CB 3.55Å; F43-E45 HydrophobicContact CE1-CG 3.87Å; F43-E45 HydrophobicContact CZ-CB 4.05Å; F43-E45 HydrophobicContact CZ-CG 3.83Å; F43-E45 WeakPolarHBondContact CZ-OE2 3.45Å; F43-Q47 WeakPolarHBondContact CE1-O 3.26Å; F43-I48 HydrophobicContact CB-CD1 3.93Å; F43-I48 HydrophobicContact CB-CG1 4.48Å; F43-I48 HydrophobicContact CD1-CD1 3.88Å; F43-I48 HydrophobicContact CD1-CG1 3.47Å; F43-I48 VanDerWaalsContact CD1-CG1 3.47Å; F43-I48 HydrophobicContact CE1-CG1 4Å; F43-I48 HydrophobicContact CG-CD1 4.18Å; F43-I48 HydrophobicContact CG-CG1 4.22Å; F43-I105 HydrophobicContact CB-CD1 4.02Å; F43-I105 HydrophobicContact CD1-CG2 4.32Å; F43-I105 HydrophobicContact CD2-CD1 3.95Å; F43-I105 HydrophobicContact CD2-CG2 4.1Å; F43-I105 HydrophobicContact CE1-CG2 4.41Å; F43-I105 HydrophobicContact CE2-CG2 4.28Å; F43-I105 HydrophobicContact CG-CD1 4.16Å; F43-I105 HydrophobicContact CG-CG2 4.16Å; F43-I105 HydrophobicContact CZ-CG2 4.43Å; F43-L110 HydrophobicContact CE2-CD1 3.84Å; F43-L110 HydrophobicContact CE2-CD2 4.41Å; F43-L110 HydrophobicContact CE2-CG 4.46Å; F43-L110 HydrophobicContact CZ-CD1 3.64Å; F43-L110 HydrophobicContact CZ-CD2 4.08Å; F43-L110 HydrophobicContact CZ-CG 3.92Å; F43-F114 HydrophobicContact CD2-CB 4.19Å; F43-F114 HydrophobicContact CD2-CD1 4.01Å; F43-F114 HydrophobicContact CD2-CG 4.1Å; F43-F114 HydrophobicContact CE2-CB 3.71Å; F43-F114 HydrophobicContact CE2-CD1 4.37Å; F43-F114 HydrophobicContact CE2-CG 4.01Å | ||
| 44 | P | 68.1 | Low | 88.1 | Confident | 113 Ų | 113 | 51.9 Ų | 51.9 | 73% | 0.734 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -77.7 | -19.1 | -173.4 | 29.4 | -35.4 | 0 | 0 | 0 | 114.2 | ||
| 45 | E | 70.4 | Confident | 88.1 | Confident | 72 Ų | 72 | 50.5 Ų | 50.5 | 34% | 0.336 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -95.5 | 153.6 | -178.9 | -39.2 | -173.7 | 126.8 | 0 | 0 | 111.6 | F43 Q47 S109 L110 | F43-E45 HydrophobicContact CD1-CB 4.11Å; F43-E45 WeakPolarHBondContact CD1-O 3.48Å; F43-E45 HydrophobicContact CE1-CB 3.55Å; F43-E45 HydrophobicContact CE1-CG 3.87Å; F43-E45 HydrophobicContact CZ-CB 4.05Å; F43-E45 HydrophobicContact CZ-CG 3.83Å; F43-E45 WeakPolarHBondContact CZ-OE2 3.45Å; E45-Q47 PolarHBondContact O-N 3.36Å; E45-S109 WeakPolarHBondContact OE2-CB 3.35Å; E45-S109 PolarHBondContact OE2-OG 3.48Å; E45-L110 WeakPolarHBondContact OE2-CD2 3.41Å |
| 46 | K | 68.4 | Low | 87.9 | Confident | 222 Ų | 222 | 53 Ų | 53 | 97% | 0.965 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -83.4 | -9 | -170 | -67.3 | -174 | 178.5 | -179.6 | 0 | 115.3 | ||
| 47 | Q | 81.1 | Confident | 87.6 | Confident | 107 Ų | 107 | 55.7 Ų | 55.7 | 50% | 0.5 | 30% | 0.301 | S | S | . | . | trans | -120.9 | 136 | 177.2 | -175.4 | 165.8 | -24.7 | 0 | 0 | 109.1 | F43 E45 D49 S107 | F43-Q47 WeakPolarHBondContact CE1-O 3.26Å; E45-Q47 PolarHBondContact O-N 3.36Å; Q47-D49 PolarHBondContact NE2-OD1 3.04Å; Q47-S107 PolarHBondContact O-OG 3.27Å; Q47-S107 VanDerWaalsContact O-OG 3.09Å | ||
| 48 | I | 87.6 | Confident | 87.3 | Confident | 23 Ų | 23 | 62.1 Ų | 62.1 | 12% | 0.118 | 33% | 0.329 | C | S | . | . | trans | -131.4 | 130.2 | 169.6 | -64.5 | 172.8 | 0 | 0 | 0 | 103.9 | V41 F43 V51 Y86 I105 | V41-I48 HydrophobicContact CG1-CD1 4.09Å; F43-I48 HydrophobicContact CB-CD1 3.93Å; F43-I48 HydrophobicContact CB-CG1 4.48Å; F43-I48 HydrophobicContact CD1-CD1 3.88Å; F43-I48 HydrophobicContact CD1-CG1 3.47Å; F43-I48 VanDerWaalsContact CD1-CG1 3.47Å; F43-I48 HydrophobicContact CE1-CG1 4Å; F43-I48 HydrophobicContact CG-CD1 4.18Å; F43-I48 HydrophobicContact CG-CG1 4.22Å; I48-V51 HydrophobicContact CG2-CG2 3.67Å; I48-Y86 HydrophobicContact CB-CD2 4.27Å; I48-Y86 HydrophobicContact CB-CE1 4.42Å; I48-Y86 HydrophobicContact CB-CE2 3.77Å; I48-Y86 HydrophobicContact CD1-CD2 3.92Å; I48-Y86 HydrophobicContact CD1-CE2 4.18Å; I48-Y86 HydrophobicContact CG2-CD1 4.08Å; I48-Y86 HydrophobicContact CG2-CD2 4.25Å; I48-Y86 HydrophobicContact CG2-CE1 3.83Å; I48-Y86 HydrophobicContact CG2-CE2 4.01Å; I48-Y86 HydrophobicContact CG2-CG 4.29Å; I48-Y86 PolarHBondContact O-OH 2.63Å; I48-I105 HydrophobicContact CB-CG2 4.46Å; I48-I105 HydrophobicContact CD1-CG2 4.13Å; I48-I105 HydrophobicContact CG1-CG2 3.95Å; I48-I105 HydrophobicContact CG2-CG2 3.8Å | ||
| 49 | D | 88.9 | Confident | 87.2 | Confident | 53 Ų | 53 | 62.2 Ų | 62.2 | 28% | 0.283 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -94 | -44.7 | 179.5 | -61.5 | -49.1 | 0 | 0 | 0 | 109.8 | Q47 H106 S107 T108 | Q47-D49 PolarHBondContact NE2-OD1 3.04Å; D49-H106 PolarHBondContact N-O 2.76Å; D49-S107 WeakPolarHBondContact OD2-CA 3.26Å; D49-T108 WeakPolarHBondContact OD2-CB 3.39Å; D49-T108 WeakPolarHBondContact OD2-CG2 3.23Å; D49-T108 PolarHBondContact OD2-N 2.95Å; D49-T108 PolarHBondContact OD2-OG1 3.48Å |
| 50 | T | 91.9 | Very high | 87.2 | Confident | 35 Ų | 35 | 62.4 Ų | 62.4 | 22% | 0.215 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 142.3 | 179.1 | -52.7 | 0 | 0 | 0 | 0 | 112 | I52 I62 V63 N64 H106 | T50-I52 HydrophobicContact CG2-CG1 4.08Å; T50-I62 HydrophobicContact CG2-CG2 3.74Å; T50-V63 CarbonylContact C-O 3.58Å; T50-V63 WeakPolarHBondContact CA-O 3.4Å; T50-N64 WeakPolarHBondContact CG2-OD1 3.49Å; T50-N64 PolarHBondContact OG1-OD1 2.94Å; T50-N64 VanDerWaalsContact OG1-OD1 3.04Å; T50-H106 PolarHBondContact N-O 2.96Å; T50-H106 PolarHBondContact O-N 2.85Å |
| 51 | V | 93.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 125.7 | 161.5 | -178.6 | 0 | 0 | 0 | 0 | 110.3 | I48 V63 Y86 A103 E104 I105 | I48-V51 HydrophobicContact CG2-CG2 3.67Å; V51-V63 PolarHBondContact N-O 3.43Å; V51-V63 PolarHBondContact O-N 2.84Å; V51-Y86 HydrophobicContact CB-CD1 4.14Å; V51-Y86 HydrophobicContact CG2-CD1 3.66Å; V51-Y86 HydrophobicContact CG2-CG 3.84Å; V51-A103 HydrophobicContact CG1-CB 3.96Å; V51-E104 WeakPolarHBondContact CA-O 3.36Å; V51-I105 HydrophobicContact CG2-CB 4.45Å; V51-I105 HydrophobicContact CG2-CG1 4.16Å; V51-I105 HydrophobicContact CG2-CG2 4.2Å |
| 52 | I | 94.5 | Very high | 87.4 | Confident | 41 Ų | 41 | 60.1 Ų | 60.1 | 21% | 0.21 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 118.6 | 174.8 | -56.4 | 178.1 | 0 | 0 | 0 | 107.9 | T50 T59 E104 | T50-I52 HydrophobicContact CG2-CG1 4.08Å; I52-T59 HydrophobicContact CG2-CG2 3.56Å; I52-E104 HydrophobicContact CB-CB 4.36Å; I52-E104 PolarHBondContact N-O 2.93Å; I52-E104 PolarHBondContact O-N 3.12Å |
| 53 | W | 95.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 127.5 | 177.9 | -78.8 | 98.4 | 0 | 0 | 0 | 110.9 | F39 V41 T59 V60 A61 F81 Y86 M88 R102 A103 Y118 | F39-W53 HydrophobicContact CB-CH2 3.31Å; F39-W53 HydrophobicContact CB-CZ2 4.27Å; F39-W53 HydrophobicContact CB-CZ3 3.66Å; F39-W53 HydrophobicContact CG-CH2 4.32Å; F39-W53 HydrophobicContact CG-CZ3 4.21Å; V41-W53 HydrophobicContact CG2-CH2 4.42Å; V41-W53 HydrophobicContact CG2-CZ2 3.67Å; W53-T59 CarbonylContact O-C 3.51Å; W53-T59 WeakPolarHBondContact O-CA 3.38Å; W53-T59 WeakPolarHBondContact O-CG2 3.47Å; W53-V60 HydrophobicContact CB-CG2 3.9Å; W53-V60 WeakPolarHBondContact O-CG2 3.47Å; W53-V60 PolarHBondContact O-N 3.4Å; W53-A61 HydrophobicContact CB-CB 4.32Å; W53-A61 PolarHBondContact N-O 2.71Å; W53-A61 PolarHBondContact O-N 3.1Å; W53-F81 AromaticContact CD1-CE1 3.79Å; W53-F81 AromaticContact CD1-CZ 3.92Å; W53-F81 AromaticContact NE1-CE1 3.67Å; W53-Y86 PolarHBondContact NE1-O 3.39Å; W53-M88 HydrophobicContact CB-SD 4.2Å; W53-M88 HydrophobicContact CD2-CB 3.89Å; W53-M88 HydrophobicContact CD2-CE 3.99Å; W53-M88 HydrophobicContact CD2-SD 4.19Å; W53-M88 HydrophobicContact CE3-CB 4.28Å; W53-M88 HydrophobicContact CE3-CE 3.59Å; W53-M88 HydrophobicContact CE3-SD 4.4Å; W53-M88 HydrophobicContact CG-CB 4.39Å; W53-M88 HydrophobicContact CG-CE 4.41Å; W53-M88 HydrophobicContact CG-SD 4.12Å; W53-M88 HydrophobicContact CH2-CB 4.18Å; W53-M88 HydrophobicContact CZ2-CB 3.77Å; W53-M88 HydrophobicContact CZ3-CB 4.41Å; W53-M88 HydrophobicContact CZ3-CE 4.1Å; W53-R102 WeakPolarHBondContact CA-O 3.35Å; W53-A103 HydrophobicContact CD2-CB 4.14Å; W53-A103 HydrophobicContact CE3-CB 3.97Å; W53-A103 HydrophobicContact CH2-CB 3.76Å; W53-A103 HydrophobicContact CZ2-CB 3.93Å; W53-A103 HydrophobicContact CZ3-CB 3.79Å; W53-Y118 AromaticContact CH2-CE2 3.67Å; W53-Y118 HydrophobicContact CH2-CE2 3.67Å; W53-Y118 HydrophobicContact CZ3-CD2 4.24Å; W53-Y118 AromaticContact CZ3-CE2 3.72Å; W53-Y118 HydrophobicContact CZ3-CE2 3.72Å |
| 54 | T | 94.9 | Very high | 88.4 | Confident | 17 Ų | 17 | 58.4 Ų | 58.4 | 10% | 0.104 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 138.6 | 180 | -67.2 | 0 | 0 | 0 | 0 | 110.3 | N56 F58 Y101 R102 | T54-N56 WeakPolarHBondContact CG2-O 3.3Å; T54-F58 CarbonylContact C-O 3.58Å; T54-F58 WeakPolarHBondContact CA-O 3.05Å; T54-Y101 WeakPolarHBondContact O-CA 3.31Å; T54-R102 PolarHBondContact N-O 3.46Å; T54-R102 PolarHBondContact O-N 3.01Å |
| 55 | F | 94.2 | Very high | 88.9 | Confident | 25 Ų | 25 | 60.3 Ų | 60.3 | 11% | 0.11 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 119.2 | 169.7 | 171.5 | -116.4 | 0 | 0 | 0 | 109.1 | T57 F58 V60 K75 S98 V100 Y101 | F55-T57 PolarHBondContact O-N 3.44Å; F55-F58 PolarHBondContact N-O 3.48Å; F55-F58 PolarHBondContact O-N 2.96Å; F55-V60 HydrophobicContact CB-CG1 3.74Å; F55-K75 VanDerWaalsContact CE1-CE 3.49Å; F55-K75 VanDerWaalsContact CZ-NZ 3.25Å; F55-S98 WeakPolarHBondContact CZ-O 3.33Å; F55-V100 WeakPolarHBondContact CA-O 3.33Å; F55-V100 WeakPolarHBondContact CD2-O 3.4Å; F55-Y101 HydrophobicContact CB-CD1 4.15Å; F55-Y101 HydrophobicContact CB-CE1 3.93Å; F55-Y101 AromaticContact CD2-CD1 3.94Å; F55-Y101 HydrophobicContact CD2-CD1 3.94Å; F55-Y101 HydrophobicContact CD2-CD2 4.01Å; F55-Y101 AromaticContact CD2-CE1 3.45Å; F55-Y101 HydrophobicContact CD2-CE1 3.45Å; F55-Y101 VanDerWaalsContact CD2-CE1 3.45Å; F55-Y101 AromaticContact CD2-CE2 3.49Å; F55-Y101 HydrophobicContact CD2-CE2 3.49Å; F55-Y101 VanDerWaalsContact CD2-CE2 3.49Å; F55-Y101 HydrophobicContact CD2-CG 4.21Å; F55-Y101 AromaticContact CD2-CZ 3.2Å; F55-Y101 WeakPolarHBondContact CD2-OH 3.3Å; F55-Y101 HydrophobicContact CE2-CD2 4.4Å; F55-Y101 HydrophobicContact CE2-CE1 4.25Å; F55-Y101 AromaticContact CE2-CE2 3.61Å; F55-Y101 HydrophobicContact CE2-CE2 3.61Å; F55-Y101 AromaticContact CE2-CZ 3.53Å; F55-Y101 WeakPolarHBondContact CE2-OH 3.33Å; F55-Y101 HydrophobicContact CG-CD1 4.47Å; F55-Y101 AromaticContact CG-CE1 3.94Å; F55-Y101 HydrophobicContact CG-CE1 3.94Å |
| 56 | N | 91.8 | Very high | 89.3 | Confident | 80 Ų | 80 | 63.5 Ų | 63.5 | 43% | 0.428 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | -96.7 | -165.6 | -59.4 | -32.7 | 0 | 0 | 0 | 111 | T54 V100 | T54-N56 WeakPolarHBondContact CG2-O 3.3Å; N56-V100 PolarHBondContact N-O 2.88Å; N56-V100 PolarHBondContact OD1-N 3.5Å |
| 57 | T | 88.9 | Confident | 90.1 | Very high | 116 Ų | 116 | 57.1 Ų | 57.1 | 71% | 0.712 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.6 | -4 | 178.4 | 51.9 | 0 | 0 | 0 | 0 | 114.4 | F55 | F55-T57 PolarHBondContact O-N 3.44Š|
| 58 | F | 91 | Very high | 90.3 | Very high | 149 Ų | 149 | 54.4 Ų | 54.4 | 65% | 0.654 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 125 | -172.7 | -59.4 | -79.3 | 0 | 0 | 0 | 112.2 | T54 F55 V60 | T54-F58 CarbonylContact C-O 3.58Å; T54-F58 WeakPolarHBondContact CA-O 3.05Å; F55-F58 PolarHBondContact N-O 3.48Å; F55-F58 PolarHBondContact O-N 2.96Å; F58-V60 PolarHBondContact O-N 2.91Å |
| 59 | T | 92.9 | Very high | 90.3 | Very high | 62 Ų | 62 | 59.9 Ų | 59.9 | 38% | 0.38 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 124 | 172.2 | -43.8 | 0 | 0 | 0 | 0 | 110.2 | I52 W53 I62 L71 | I52-T59 HydrophobicContact CG2-CG2 3.56Å; W53-T59 CarbonylContact O-C 3.51Å; W53-T59 WeakPolarHBondContact O-CA 3.38Å; W53-T59 WeakPolarHBondContact O-CG2 3.47Å; T59-I62 HydrophobicContact CG2-CG1 4.31Å; T59-L71 HydrophobicContact CG2-CD1 3.6Å; T59-L71 WeakPolarHBondContact O-CD1 3.47Å |
| 60 | V | 93.4 | Very high | 90 | Very high | 5 Ų | 5 | 58.9 Ų | 58.9 | 3% | 0.03 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | -30.5 | -178.6 | -66.9 | 0 | 0 | 0 | 0 | 113.2 | W53 F55 F58 L71 N73 I79 M88 | W53-V60 HydrophobicContact CB-CG2 3.9Å; W53-V60 WeakPolarHBondContact O-CG2 3.47Å; W53-V60 PolarHBondContact O-N 3.4Å; F55-V60 HydrophobicContact CB-CG1 3.74Å; F58-V60 PolarHBondContact O-N 2.91Å; V60-L71 PolarHBondContact O-N 3.4Å; V60-N73 WeakPolarHBondContact CA-ND2 3.34Å; V60-N73 PolarHBondContact O-ND2 3.39Å; V60-I79 HydrophobicContact CB-CD1 3.93Å; V60-I79 HydrophobicContact CG2-CD1 4.21Å; V60-M88 HydrophobicContact CG2-CE 4.37Å; V60-M88 HydrophobicContact CG2-SD 4.06Å |
| 61 | A | 93.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 157.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | W53 K69 F81 | W53-A61 HydrophobicContact CB-CB 4.32Å; W53-A61 PolarHBondContact N-O 2.71Å; W53-A61 PolarHBondContact O-N 3.1Å; A61-K69 WeakPolarHBondContact CA-O 3.43Å; A61-F81 HydrophobicContact CB-CE2 3.76Å; A61-F81 HydrophobicContact CB-CZ 3.7Å |
| 62 | I | 93.1 | Very high | 88.7 | Confident | 54 Ų | 54 | 68.6 Ų | 68.6 | 28% | 0.277 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 128.6 | 168.8 | -57.5 | 173.9 | 0 | 0 | 0 | 106.9 | T50 T59 K69 | T50-I62 HydrophobicContact CG2-CG2 3.74Å; T59-I62 HydrophobicContact CG2-CG1 4.31Å; I62-K69 PolarHBondContact N-O 3.49Å; I62-K69 PolarHBondContact O-N 3.11Å |
| 63 | V | 92.6 | Very high | 87.8 | Confident | 4 Ų | 4 | 68.4 Ų | 68.4 | 2% | 0.024 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 121.3 | -175.2 | -172.1 | 0 | 0 | 0 | 0 | 109.7 | T50 V51 A68 F81 Y86 | T50-V63 CarbonylContact C-O 3.58Å; T50-V63 WeakPolarHBondContact CA-O 3.4Å; V51-V63 PolarHBondContact N-O 3.43Å; V51-V63 PolarHBondContact O-N 2.84Å; V63-A68 HydrophobicContact CG1-CB 4.16Å; V63-A68 HydrophobicContact CG2-CB 4.15Å; V63-F81 HydrophobicContact CG2-CD1 3.76Å; V63-F81 HydrophobicContact CG2-CD2 4.2Å; V63-F81 HydrophobicContact CG2-CE1 3.44Å; V63-F81 VanDerWaalsContact CG2-CE1 3.44Å; V63-F81 HydrophobicContact CG2-CE2 3.89Å; V63-F81 HydrophobicContact CG2-CG 4.13Å; V63-F81 HydrophobicContact CG2-CZ 3.52Å; V63-Y86 HydrophobicContact CB-CD1 4.2Å; V63-Y86 HydrophobicContact CG1-CD1 3.81Å; V63-Y86 HydrophobicContact CG1-CE1 4.36Å |
| 64 | N | 89.4 | Confident | 86.9 | Confident | 49 Ų | 49 | 75 Ų | 75 | 26% | 0.262 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 166.4 | 171.7 | -48.7 | -54.9 | 0 | 0 | 0 | 108.4 | T50 D66 N67 | T50-N64 WeakPolarHBondContact CG2-OD1 3.49Å; T50-N64 PolarHBondContact OG1-OD1 2.94Å; T50-N64 VanDerWaalsContact OG1-OD1 3.04Å; N64-D66 PolarHBondContact O-N 3.43Å; N64-N67 PolarHBondContact N-O 2.9Å; N64-N67 PolarHBondContact ND2-OD1 3.28Å; N64-N67 PolarHBondContact O-N 2.74Å; N64-N67 VanDerWaalsContact O-O 3.05Å |
| 65 | K | 79.7 | Confident | 86 | Confident | 153 Ų | 153 | 75.1 Ų | 75.1 | 67% | 0.665 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.8 | -41.5 | 177.5 | -174.9 | -176.2 | 175.6 | -173.6 | 0 | 114.7 | Y86 | K65-Y86 WeakPolarHBondContact CA-OH 3.47Å; K65-Y86 PolarHBondContact N-OH 3.1Å |
| 66 | D | 79.1 | Confident | 85.3 | Confident | 139 Ų | 139 | 78.4 Ų | 78.4 | 74% | 0.743 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | -4.4 | -172 | -43.4 | -70.1 | 0 | 0 | 0 | 113.8 | N64 | N64-D66 PolarHBondContact O-N 3.43Š|
| 67 | N | 83.7 | Confident | 84.7 | Confident | 87 Ų | 87 | 83.7 Ų | 83.7 | 47% | 0.465 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 144.4 | -178.9 | 54.2 | 78.5 | 0 | 0 | 0 | 114.3 | N64 | N64-N67 PolarHBondContact N-O 2.9Å; N64-N67 PolarHBondContact ND2-OD1 3.28Å; N64-N67 PolarHBondContact O-N 2.74Å; N64-N67 VanDerWaalsContact O-O 3.05Å |
| 68 | A | 86.3 | Confident | 84.7 | Confident | 51 Ų | 51 | 79.2 Ų | 79.2 | 42% | 0.421 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 117.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | V63 F81 | V63-A68 HydrophobicContact CG1-CB 4.16Å; V63-A68 HydrophobicContact CG2-CB 4.15Å; A68-F81 HydrophobicContact CB-CB 4.12Å; A68-F81 HydrophobicContact CB-CD2 3.62Å; A68-F81 HydrophobicContact CB-CE2 4.34Å; A68-F81 HydrophobicContact CB-CG 3.96Å |
| 69 | K | 87.3 | Confident | 84.8 | Confident | 137 Ų | 137 | 72.5 Ų | 72.5 | 60% | 0.596 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 94.6 | 178.7 | -174 | 179 | 179.9 | 180 | 0 | 110.2 | A61 I62 L71 | A61-K69 WeakPolarHBondContact CA-O 3.43Å; I62-K69 PolarHBondContact N-O 3.49Å; I62-K69 PolarHBondContact O-N 3.11Å; K69-L71 PolarHBondContact O-N 3.1Å |
| 70 | V | 83.4 | Confident | 84.7 | Confident | 33 Ų | 33 | 74.3 Ų | 74.3 | 20% | 0.2 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 124.5 | 169.3 | -165.2 | 0 | 0 | 0 | 0 | 109.1 | K76 I79 F81 | V70-K76 HydrophobicContact CB-CG 4.2Å; V70-K76 HydrophobicContact CG1-CB 4.24Å; V70-K76 HydrophobicContact CG1-CG 3.82Å; V70-I79 HydrophobicContact CG1-CB 4.09Å; V70-I79 HydrophobicContact CG1-CD1 4.24Å; V70-I79 HydrophobicContact CG1-CG2 4.09Å; V70-I79 HydrophobicContact CG2-CG2 3.99Å; V70-F81 HydrophobicContact CG2-CE2 4.15Å |
| 71 | L | 83.6 | Confident | 84.5 | Confident | 54 Ų | 54 | 75.8 Ų | 75.8 | 28% | 0.283 | 39% | 0.386 | S | S | . | . | trans | -74.3 | 159.8 | 179.6 | -70.2 | 165.8 | 0 | 0 | 0 | 110.8 | T59 V60 K69 N73 | T59-L71 HydrophobicContact CG2-CD1 3.6Å; T59-L71 WeakPolarHBondContact O-CD1 3.47Å; V60-L71 PolarHBondContact O-N 3.4Å; K69-L71 PolarHBondContact O-N 3.1Å; L71-N73 PolarHBondContact O-N 3.43Å; L71-N73 PolarHBondContact O-ND2 2.71Å; L71-N73 VanDerWaalsContact O-ND2 3.1Å | ||
| 72 | Q | 73.4 | Confident | 83.9 | Confident | 184 Ų | 184 | 77.9 Ų | 77.9 | 86% | 0.86 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -79.3 | 93.3 | -177.8 | -170.2 | 152 | -8.7 | 0 | 0 | 110.8 | ||
| 73 | N | 77.3 | Confident | 82.8 | Confident | 37 Ų | 37 | 83.2 Ų | 83.2 | 20% | 0.198 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -137.1 | 166.3 | 178.4 | 65.1 | 64.7 | 0 | 0 | 0 | 110.2 | V60 L71 K75 K76 | V60-N73 WeakPolarHBondContact CA-ND2 3.34Å; V60-N73 PolarHBondContact O-ND2 3.39Å; L71-N73 PolarHBondContact O-N 3.43Å; L71-N73 PolarHBondContact O-ND2 2.71Å; L71-N73 VanDerWaalsContact O-ND2 3.1Å; N73-K75 PolarHBondContact O-N 3.45Å; N73-K75 VanDerWaalsContact OD1-CA 3.29Å; N73-K75 WeakPolarHBondContact OD1-CA 3.19Å; N73-K75 WeakPolarHBondContact OD1-CB 3.49Å; N73-K75 PolarHBondContact OD1-N 3.01Å; N73-K76 WeakPolarHBondContact O-CB 3.44Å; N73-K76 PolarHBondContact O-N 2.83Å; N73-K76 PolarHBondContact OD1-N 2.97Å; N73-K76 VanDerWaalsContact OD1-N 3.16Å |
| 74 | P | 75.9 | Confident | 81.4 | Confident | 138 Ų | 138 | 86.2 Ų | 86.2 | 90% | 0.896 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -6 | -179 | -24.7 | 35.8 | 0 | 0 | 0 | 116.1 | ||
| 75 | K | 76.3 | Confident | 80.8 | Confident | 21 Ų | 21 | 85.9 Ų | 85.9 | 9% | 0.091 | 46% | 0.461 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 0.1 | 175.8 | -46.4 | -168.4 | -173.6 | -148 | 0 | 113 | F55 N73 E77 K78 I79 L90 D97 Y101 | F55-K75 VanDerWaalsContact CE1-CE 3.49Å; F55-K75 VanDerWaalsContact CZ-NZ 3.25Å; N73-K75 PolarHBondContact O-N 3.45Å; N73-K75 VanDerWaalsContact OD1-CA 3.29Å; N73-K75 WeakPolarHBondContact OD1-CA 3.19Å; N73-K75 WeakPolarHBondContact OD1-CB 3.49Å; N73-K75 PolarHBondContact OD1-N 3.01Å; K75-E77 VanDerWaalsContact C-N 3.28Å; K75-E77 PolarHBondContact O-N 3.3Å; K75-E77 VanDerWaalsContact O-N 3.14Å; K75-K78 WeakPolarHBondContact O-CB 3.49Å; K75-K78 PolarHBondContact O-N 3.12Å; K75-I79 HydrophobicContact CB-CD1 3.95Å; K75-I79 HydrophobicContact CB-CG1 4.38Å; K75-I79 PolarHBondContact O-N 3.46Å; K75-L90 HydrophobicContact CB-CD1 4.49Å; K75-D97 WeakPolarHBondContact CD-OD1 2.97Å; K75-D97 WeakPolarHBondContact CE-OD1 3.01Å; K75-D97 IonicContact NZ-OD1 3.57Å; K75-D97 PolarHBondContact NZ-OD1 3.29Å; K75-Y101 PolarHBondContact NZ-OH 3.21Å |
| 76 | K | 78 | Confident | 81.3 | Confident | 94 Ų | 94 | 80.4 Ų | 80.4 | 41% | 0.409 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -50.4 | -44.5 | -171.1 | -174.9 | -172.8 | -178.9 | -172.2 | 0 | 113.4 | V70 N73 K78 | V70-K76 HydrophobicContact CB-CG 4.2Å; V70-K76 HydrophobicContact CG1-CB 4.24Å; V70-K76 HydrophobicContact CG1-CG 3.82Å; N73-K76 WeakPolarHBondContact O-CB 3.44Å; N73-K76 PolarHBondContact O-N 2.83Å; N73-K76 PolarHBondContact OD1-N 2.97Å; N73-K76 VanDerWaalsContact OD1-N 3.16Å; K76-K78 VanDerWaalsContact C-N 3.31Å; K76-K78 PolarHBondContact O-N 2.9Å |
| 77 | E | 80.9 | Confident | 81.9 | Confident | 191 Ų | 191 | 74.7 Ų | 74.7 | 89% | 0.893 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -77.3 | -14.4 | -177.7 | -64.8 | 170.5 | -176.9 | 0 | 0 | 113.6 | K75 | K75-E77 VanDerWaalsContact C-N 3.28Å; K75-E77 PolarHBondContact O-N 3.3Å; K75-E77 VanDerWaalsContact O-N 3.14Å |
| 78 | K | 88.8 | Confident | 82.3 | Confident | 22 Ų | 22 | 70.5 Ų | 70.5 | 10% | 0.096 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -87.7 | -21.8 | 177.3 | -62.3 | -179.7 | 166.8 | -146.6 | 0 | 113.6 | K75 K76 L90 S91 Q92 D97 | K75-K78 WeakPolarHBondContact O-CB 3.49Å; K75-K78 PolarHBondContact O-N 3.12Å; K76-K78 VanDerWaalsContact C-N 3.31Å; K76-K78 PolarHBondContact O-N 2.9Å; K78-L90 HydrophobicContact CB-CD1 3.7Å; K78-L90 HydrophobicContact CD-CD1 4.3Å; K78-S91 WeakPolarHBondContact CB-O 3.37Å; K78-S91 VanDerWaalsContact CD-O 3.31Å; K78-S91 WeakPolarHBondContact CD-O 3.32Å; K78-S91 WeakPolarHBondContact CG-O 3.49Å; K78-S91 PolarHBondContact O-N 3.36Å; K78-S91 PolarHBondContact O-OG 2.88Å; K78-Q92 WeakPolarHBondContact CE-O 3.21Å; K78-Q92 PolarHBondContact NZ-O 3.29Å; K78-D97 IonicContact NZ-OD1 2.63Å; K78-D97 IonicContact NZ-OD2 3.87Å; K78-D97 PolarHBondContact NZ-OD2 3.23Å |
| 79 | I | 91.7 | Very high | 82.7 | Confident | 7 Ų | 7 | 71.6 Ų | 71.6 | 4% | 0.036 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 124.5 | -169.6 | -70 | 169.9 | 0 | 0 | 0 | 109.6 | V60 V70 K75 F81 M88 K89 L90 | V60-I79 HydrophobicContact CB-CD1 3.93Å; V60-I79 HydrophobicContact CG2-CD1 4.21Å; V70-I79 HydrophobicContact CG1-CB 4.09Å; V70-I79 HydrophobicContact CG1-CD1 4.24Å; V70-I79 HydrophobicContact CG1-CG2 4.09Å; V70-I79 HydrophobicContact CG2-CG2 3.99Å; K75-I79 HydrophobicContact CB-CD1 3.95Å; K75-I79 HydrophobicContact CB-CG1 4.38Å; K75-I79 PolarHBondContact O-N 3.46Å; I79-F81 HydrophobicContact CG2-CD2 4.37Å; I79-F81 HydrophobicContact CG2-CE2 3.58Å; I79-F81 HydrophobicContact CG2-CZ 3.99Å; I79-M88 HydrophobicContact CD1-SD 4.24Å; I79-M88 HydrophobicContact CG1-SD 4.26Å; I79-M88 HydrophobicContact CG2-CG 3.93Å; I79-M88 HydrophobicContact CG2-SD 3.88Å; I79-K89 WeakPolarHBondContact CA-O 3.48Å; I79-L90 HydrophobicContact CG1-CD1 3.68Å |
| 80 | L | 90.7 | Very high | 83.1 | Confident | 100 Ų | 100 | 65.1 Ų | 65.1 | 52% | 0.524 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 149.2 | 179.6 | -62.7 | 173 | 0 | 0 | 0 | 110.3 | K89 | L80-K89 HydrophobicContact CB-CB 4.47Å; L80-K89 PolarHBondContact N-O 3Å; L80-K89 PolarHBondContact O-N 3Å |
| 81 | F | 89.5 | Confident | 83.7 | Confident | 37 Ų | 37 | 64.6 Ų | 64.6 | 16% | 0.162 | 35% | 0.35 | C | S | . | . | trans | -118.3 | 93.5 | 176.6 | -70.3 | -78.1 | 0 | 0 | 0 | 109 | W53 A61 V63 A68 V70 I79 S87 M88 | W53-F81 AromaticContact CD1-CE1 3.79Å; W53-F81 AromaticContact CD1-CZ 3.92Å; W53-F81 AromaticContact NE1-CE1 3.67Å; A61-F81 HydrophobicContact CB-CE2 3.76Å; A61-F81 HydrophobicContact CB-CZ 3.7Å; V63-F81 HydrophobicContact CG2-CD1 3.76Å; V63-F81 HydrophobicContact CG2-CD2 4.2Å; V63-F81 HydrophobicContact CG2-CE1 3.44Å; V63-F81 VanDerWaalsContact CG2-CE1 3.44Å; V63-F81 HydrophobicContact CG2-CE2 3.89Å; V63-F81 HydrophobicContact CG2-CG 4.13Å; V63-F81 HydrophobicContact CG2-CZ 3.52Å; A68-F81 HydrophobicContact CB-CB 4.12Å; A68-F81 HydrophobicContact CB-CD2 3.62Å; A68-F81 HydrophobicContact CB-CE2 4.34Å; A68-F81 HydrophobicContact CB-CG 3.96Å; V70-F81 HydrophobicContact CG2-CE2 4.15Å; I79-F81 HydrophobicContact CG2-CD2 4.37Å; I79-F81 HydrophobicContact CG2-CE2 3.58Å; I79-F81 HydrophobicContact CG2-CZ 3.99Å; F81-S87 WeakPolarHBondContact CD1-O 3.45Å; F81-M88 HydrophobicContact CD1-CB 4.43Å; F81-M88 HydrophobicContact CE1-CB 3.56Å; F81-M88 HydrophobicContact CE1-CG 3.9Å; F81-M88 HydrophobicContact CZ-CB 3.96Å; F81-M88 HydrophobicContact CZ-CG 3.78Å; F81-M88 HydrophobicContact CZ-SD 4.13Å | ||
| 82 | P | 81.4 | Confident | 84.3 | Confident | 43 Ų | 43 | 68.2 Ų | 68.2 | 28% | 0.279 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -66.9 | 143.8 | -177.3 | 27.1 | -33.9 | 0 | 0 | 0 | 111.8 | G84 S85 | P82-G84 PolarHBondContact O-N 3.09Å; P82-G84 VanDerWaalsContact O-N 3.08Å; P82-S85 WeakPolarHBondContact O-CB 3.24Å; P82-S85 PolarHBondContact O-N 3.41Å; P82-S85 PolarHBondContact O-OG 3.5Å |
| 83 | D | 69.1 | Low | 85.3 | Confident | 167 Ų | 167 | 59.6 Ų | 59.6 | 89% | 0.893 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | 55.2 | 28.9 | 165.4 | -47.1 | -39.4 | 0 | 0 | 0 | 115.6 | S85 | D83-S85 PolarHBondContact O-N 2.8Š|
| 84 | G | 64.7 | Low | 86.1 | Confident | 66 Ų | 66 | 63.6 Ų | 63.6 | 68% | 0.68 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | 68.7 | 11.4 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | P82 | P82-G84 PolarHBondContact O-N 3.09Å; P82-G84 VanDerWaalsContact O-N 3.08Å |
| 85 | S | 76.3 | Confident | 86.8 | Confident | 42 Ų | 42 | 60.8 Ų | 60.8 | 29% | 0.294 | 31% | 0.314 | S | S | . | . | trans | -81.3 | 151.8 | 179.8 | 75.2 | 0 | 0 | 0 | 0 | 112.1 | P82 D83 S87 | P82-S85 WeakPolarHBondContact O-CB 3.24Å; P82-S85 PolarHBondContact O-N 3.41Å; P82-S85 PolarHBondContact O-OG 3.5Å; D83-S85 PolarHBondContact O-N 2.8Å; S85-S87 PolarHBondContact O-N 2.9Å; S85-S87 VanDerWaalsContact O-N 3.15Å | ||
| 86 | Y | 89.4 | Confident | 87.6 | Confident | 39 Ų | 39 | 65.5 Ų | 65.5 | 15% | 0.153 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -68.7 | -5 | 173.1 | -57.1 | -81.6 | 0 | 0 | 0 | 113.9 | V41 I48 V51 W53 V63 K65 | V41-Y86 WeakPolarHBondContact CG2-O 3.37Å; I48-Y86 HydrophobicContact CB-CD2 4.27Å; I48-Y86 HydrophobicContact CB-CE1 4.42Å; I48-Y86 HydrophobicContact CB-CE2 3.77Å; I48-Y86 HydrophobicContact CD1-CD2 3.92Å; I48-Y86 HydrophobicContact CD1-CE2 4.18Å; I48-Y86 HydrophobicContact CG2-CD1 4.08Å; I48-Y86 HydrophobicContact CG2-CD2 4.25Å; I48-Y86 HydrophobicContact CG2-CE1 3.83Å; I48-Y86 HydrophobicContact CG2-CE2 4.01Å; I48-Y86 HydrophobicContact CG2-CG 4.29Å; I48-Y86 PolarHBondContact O-OH 2.63Å; V51-Y86 HydrophobicContact CB-CD1 4.14Å; V51-Y86 HydrophobicContact CG2-CD1 3.66Å; V51-Y86 HydrophobicContact CG2-CG 3.84Å; W53-Y86 PolarHBondContact NE1-O 3.39Å; V63-Y86 HydrophobicContact CB-CD1 4.2Å; V63-Y86 HydrophobicContact CG1-CD1 3.81Å; V63-Y86 HydrophobicContact CG1-CE1 4.36Å; K65-Y86 WeakPolarHBondContact CA-OH 3.47Å; K65-Y86 PolarHBondContact N-OH 3.1Å |
| 87 | S | 91.6 | Very high | 88.3 | Confident | 18 Ų | 18 | 61.2 Ų | 61.2 | 13% | 0.126 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 127.2 | -176.5 | -63.3 | 0 | 0 | 0 | 0 | 111.5 | F39 V41 F81 S85 | F39-S87 WeakPolarHBondContact O-CA 3.47Å; F39-S87 WeakPolarHBondContact O-CB 3.4Å; V41-S87 PolarHBondContact N-OG 2.88Å; V41-S87 VanDerWaalsContact N-OG 3.1Å; F81-S87 WeakPolarHBondContact CD1-O 3.45Å; S85-S87 PolarHBondContact O-N 2.9Å; S85-S87 VanDerWaalsContact O-N 3.15Å |
| 88 | M | 93.5 | Very high | 89 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 124.3 | -177.2 | -174 | 170.2 | 63.7 | 0 | 0 | 111.3 | T38 F39 W53 V60 I79 F81 Y101 | T38-M88 CarbonylContact C-O 3.58Å; T38-M88 WeakPolarHBondContact CA-O 3.49Å; F39-M88 HydrophobicContact CD2-CB 4.34Å; F39-M88 HydrophobicContact CD2-CE 3.74Å; F39-M88 WeakPolarHBondContact CD2-O 3.33Å; F39-M88 HydrophobicContact CE2-CE 3.95Å; F39-M88 PolarHBondContact N-O 3.22Å; F39-M88 PolarHBondContact O-N 2.89Å; W53-M88 HydrophobicContact CB-SD 4.2Å; W53-M88 HydrophobicContact CD2-CB 3.89Å; W53-M88 HydrophobicContact CD2-CE 3.99Å; W53-M88 HydrophobicContact CD2-SD 4.19Å; W53-M88 HydrophobicContact CE3-CB 4.28Å; W53-M88 HydrophobicContact CE3-CE 3.59Å; W53-M88 HydrophobicContact CE3-SD 4.4Å; W53-M88 HydrophobicContact CG-CB 4.39Å; W53-M88 HydrophobicContact CG-CE 4.41Å; W53-M88 HydrophobicContact CG-SD 4.12Å; W53-M88 HydrophobicContact CH2-CB 4.18Å; W53-M88 HydrophobicContact CZ2-CB 3.77Å; W53-M88 HydrophobicContact CZ3-CB 4.41Å; W53-M88 HydrophobicContact CZ3-CE 4.1Å; V60-M88 HydrophobicContact CG2-CE 4.37Å; V60-M88 HydrophobicContact CG2-SD 4.06Å; I79-M88 HydrophobicContact CD1-SD 4.24Å; I79-M88 HydrophobicContact CG1-SD 4.26Å; I79-M88 HydrophobicContact CG2-CG 3.93Å; I79-M88 HydrophobicContact CG2-SD 3.88Å; F81-M88 HydrophobicContact CD1-CB 4.43Å; F81-M88 HydrophobicContact CE1-CB 3.56Å; F81-M88 HydrophobicContact CE1-CG 3.9Å; F81-M88 HydrophobicContact CZ-CB 3.96Å; F81-M88 HydrophobicContact CZ-CG 3.78Å; F81-M88 HydrophobicContact CZ-SD 4.13Å; M88-Y101 HydrophobicContact CE-CD1 3.67Å; M88-Y101 HydrophobicContact CE-CE1 4.14Å |
| 89 | K | 94.4 | Very high | 89.3 | Confident | 74 Ų | 74 | 53.9 Ų | 53.9 | 32% | 0.322 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 127.1 | 166.1 | -174 | 173.5 | -176.9 | 176.4 | 0 | 109.9 | S36 V37 I79 L80 | S36-K89 VanDerWaalsContact OG-CE 3.26Å; S36-K89 WeakPolarHBondContact OG-CE 2.9Å; V37-K89 WeakPolarHBondContact O-CA 3.09Å; I79-K89 WeakPolarHBondContact CA-O 3.48Å; L80-K89 HydrophobicContact CB-CB 4.47Å; L80-K89 PolarHBondContact N-O 3Å; L80-K89 PolarHBondContact O-N 3Å |
| 90 | L | 95.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 129.3 | 173.9 | -176.1 | 68.4 | 0 | 0 | 0 | 109.4 | S36 V37 F39 K75 K78 I79 L93 D97 Y101 L120 | S36-L90 CarbonylContact C-O 3.5Å; S36-L90 WeakPolarHBondContact CA-O 3.47Å; S36-L90 VanDerWaalsContact CB-O 3.24Å; S36-L90 WeakPolarHBondContact CB-O 3.27Å; V37-L90 HydrophobicContact CG2-CB 4.44Å; V37-L90 PolarHBondContact N-O 2.81Å; V37-L90 PolarHBondContact O-N 3.26Å; F39-L90 HydrophobicContact CE2-CB 4.09Å; F39-L90 HydrophobicContact CE2-CD2 4.49Å; K75-L90 HydrophobicContact CB-CD1 4.49Å; K78-L90 HydrophobicContact CB-CD1 3.7Å; K78-L90 HydrophobicContact CD-CD1 4.3Å; I79-L90 HydrophobicContact CG1-CD1 3.68Å; L90-L93 HydrophobicContact CB-CD2 4.33Å; L90-L93 HydrophobicContact CD2-CD2 3.61Å; L90-L93 HydrophobicContact CG-CD2 3.73Å; L90-D97 HydrophobicContact CD2-CB 4.21Å; L90-Y101 HydrophobicContact CD2-CE1 4.14Å; L90-Y101 VanDerWaalsContact CD2-OH 3.3Å; L90-Y101 WeakPolarHBondContact CD2-OH 3Å; L90-L120 HydrophobicContact CD2-CD2 4.29Å |
| 91 | S | 95.7 | Very high | 89.9 | Confident | 22 Ų | 22 | 51.4 Ų | 51.4 | 15% | 0.154 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 167.6 | -173.6 | 63 | 0 | 0 | 0 | 0 | 113.8 | G35 K78 L93 | G35-S91 CarbonylContact O-C 3.56Å; K78-S91 WeakPolarHBondContact CB-O 3.37Å; K78-S91 VanDerWaalsContact CD-O 3.31Å; K78-S91 WeakPolarHBondContact CD-O 3.32Å; K78-S91 WeakPolarHBondContact CG-O 3.49Å; K78-S91 PolarHBondContact O-N 3.36Å; K78-S91 PolarHBondContact O-OG 2.88Å; S91-L93 VanDerWaalsContact C-N 3.34Å; S91-L93 PolarHBondContact O-N 3.35Å |
| 92 | Q | 95.1 | Very high | 90.2 | Very high | 131 Ų | 131 | 52.6 Ų | 52.6 | 61% | 0.612 | 29% | 0.29 | S | S | * | . | S | Bend | trans | 53.1 | 46.8 | -179.6 | -54.2 | -177.7 | 11.7 | 0 | 0 | 112.8 | G34 G35 K78 | G34-Q92 WeakPolarHBondContact O-CA 3.36Å; G35-Q92 PolarHBondContact O-N 2.77Å; K78-Q92 WeakPolarHBondContact CE-O 3.21Å; K78-Q92 PolarHBondContact NZ-O 3.29Å |
| 93 | L | 95.7 | Very high | 90.8 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | trans | -56.4 | 139.8 | -170 | -64 | 175.7 | 0 | 0 | 0 | 113.5 | G34 G35 V37 L90 S91 D97 L120 V122 | G34-L93 PolarHBondContact N-O 3.14Å; G35-L93 PolarHBondContact O-N 2.99Å; G35-L93 VanDerWaalsContact O-N 3.17Å; V37-L93 HydrophobicContact CG1-CD1 3.96Å; V37-L93 HydrophobicContact CG2-CD1 4.18Å; V37-L93 HydrophobicContact CG2-CD2 4.38Å; L90-L93 HydrophobicContact CB-CD2 4.33Å; L90-L93 HydrophobicContact CD2-CD2 3.61Å; L90-L93 HydrophobicContact CG-CD2 3.73Å; S91-L93 VanDerWaalsContact C-N 3.34Å; S91-L93 PolarHBondContact O-N 3.35Å; L93-D97 HydrophobicContact CD2-CB 4.18Å; L93-L120 HydrophobicContact CD2-CD2 4.04Å; L93-V122 HydrophobicContact CB-CG1 3.89Å; L93-V122 HydrophobicContact CB-CG2 4.19Å; L93-V122 HydrophobicContact CD1-CG2 4.35Å | ||
| 94 | K | 93.7 | Very high | 92 | Very high | 121 Ų | 121 | 44.5 Ų | 44.5 | 53% | 0.526 | 24% | 0.243 | S | C | . | . | trans | -119.7 | 160 | 173.4 | -66.4 | 179.5 | 179.9 | -176.2 | 0 | 109.3 | N96 D97 | K94-N96 VanDerWaalsContact CB-OD1 3.26Å; K94-N96 WeakPolarHBondContact CB-OD1 3.28Å; K94-N96 PolarHBondContact O-N 3.09Å; K94-N96 VanDerWaalsContact O-N 3.14Å; K94-D97 PolarHBondContact N-OD2 3.02Å; K94-D97 VanDerWaalsContact O-CB 3.31Å; K94-D97 WeakPolarHBondContact O-CB 3.41Å; K94-D97 PolarHBondContact O-N 3.4Å | ||
| 95 | K | 91.3 | Very high | 93.3 | Very high | 79 Ų | 79 | 41.4 Ų | 41.4 | 34% | 0.343 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -52.6 | -38.8 | 177.5 | -72.3 | -149.8 | -175.7 | -166.3 | 0 | 113.1 | L33 D97 S98 E124 D156 | L33-K95 HydrophobicContact CD1-CG 4.37Å; K95-D97 PolarHBondContact O-N 3.2Å; K95-S98 VanDerWaalsContact O-CB 3.25Å; K95-S98 WeakPolarHBondContact O-CB 3.45Å; K95-S98 PolarHBondContact O-N 3.04Å; K95-S98 VanDerWaalsContact O-N 3.07Å; K95-S98 PolarHBondContact O-OG 3.21Å; K95-E124 WeakPolarHBondContact CE-OE1 3.27Å; K95-E124 WeakPolarHBondContact CE-OE2 3.37Å; K95-E124 IonicContact NZ-OE1 2.78Å; K95-E124 IonicContact NZ-OE2 3.6Å; K95-E124 PolarHBondContact NZ-OE2 3.05Å; K95-D156 IonicContact NZ-OD2 2.74Å; K95-D156 PolarHBondContact NZ-OD2 3.28Å |
| 96 | N | 92.3 | Very high | 94.1 | Very high | 121 Ų | 121 | 42.6 Ų | 42.6 | 65% | 0.647 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -75 | 4.2 | 176.1 | 74.7 | -24.9 | 0 | 0 | 0 | 115.2 | K94 | K94-N96 VanDerWaalsContact CB-OD1 3.26Å; K94-N96 WeakPolarHBondContact CB-OD1 3.28Å; K94-N96 PolarHBondContact O-N 3.09Å; K94-N96 VanDerWaalsContact O-N 3.14Å |
| 97 | D | 93.9 | Very high | 94.1 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -83.5 | -13.5 | 163 | -70.4 | -53.5 | 0 | 0 | 0 | 113.1 | K75 K78 L90 L93 K94 K95 Y101 V122 | K75-D97 WeakPolarHBondContact CD-OD1 2.97Å; K75-D97 WeakPolarHBondContact CE-OD1 3.01Å; K75-D97 IonicContact NZ-OD1 3.57Å; K75-D97 PolarHBondContact NZ-OD1 3.29Å; K78-D97 IonicContact NZ-OD1 2.63Å; K78-D97 IonicContact NZ-OD2 3.87Å; K78-D97 PolarHBondContact NZ-OD2 3.23Å; L90-D97 HydrophobicContact CD2-CB 4.21Å; L93-D97 HydrophobicContact CD2-CB 4.18Å; K94-D97 PolarHBondContact N-OD2 3.02Å; K94-D97 VanDerWaalsContact O-CB 3.31Å; K94-D97 WeakPolarHBondContact O-CB 3.41Å; K94-D97 PolarHBondContact O-N 3.4Å; K95-D97 PolarHBondContact O-N 3.2Å; D97-Y101 VanDerWaalsContact O-CE2 3.28Å; D97-Y101 WeakPolarHBondContact O-CE2 3.28Å; D97-Y101 PolarHBondContact O-OH 3.02Å; D97-V122 HydrophobicContact CB-CG2 4.31Å |
| 98 | S | 95.3 | Very high | 93.9 | Very high | 39 Ų | 39 | 46 Ų | 46 | 27% | 0.273 | 24% | 0.237 | S | C | . | . | trans | -61.5 | 151.1 | 171.4 | -48.8 | 0 | 0 | 0 | 0 | 111.7 | F55 K95 L120 V122 | F55-S98 WeakPolarHBondContact CZ-O 3.33Å; K95-S98 VanDerWaalsContact O-CB 3.25Å; K95-S98 WeakPolarHBondContact O-CB 3.45Å; K95-S98 PolarHBondContact O-N 3.04Å; K95-S98 VanDerWaalsContact O-N 3.07Å; K95-S98 PolarHBondContact O-OG 3.21Å; S98-L120 CarbonylContact C-O 3.46Å; S98-L120 WeakPolarHBondContact CA-O 3.49Å; S98-L120 VanDerWaalsContact CB-O 3.29Å; S98-L120 WeakPolarHBondContact CB-O 3.48Å; S98-V122 WeakPolarHBondContact OG-CB 3.46Å; S98-V122 PolarHBondContact OG-N 2.88Å | ||
| 99 | G | 95.5 | Very high | 93.4 | Very high | 19 Ų | 19 | 49.2 Ų | 49.2 | 20% | 0.196 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 133.4 | -169.3 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | L120 | G99-L120 PolarHBondContact N-O 2.75Å; G99-L120 PolarHBondContact O-N 2.02Å |
| 100 | V | 96.6 | Very high | 92.8 | Very high | 53 Ų | 53 | 48 Ų | 48 | 32% | 0.321 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 131.3 | -175.3 | -176.9 | 0 | 0 | 0 | 0 | 110.3 | F55 N56 Y118 | F55-V100 WeakPolarHBondContact CA-O 3.33Å; F55-V100 WeakPolarHBondContact CD2-O 3.4Å; N56-V100 PolarHBondContact N-O 2.88Å; N56-V100 PolarHBondContact OD1-N 3.5Å; V100-Y118 CarbonylContact C-O 3.57Å; V100-Y118 WeakPolarHBondContact CA-O 3.46Å |
| 101 | Y | 96.5 | Very high | 92.3 | Very high | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.008 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 129.6 | 168.7 | -69.1 | -96 | 0 | 0 | 0 | 108.6 | F39 T54 F55 K75 M88 L90 D97 E117 Y118 L120 | F39-Y101 AromaticContact CE1-CD2 3.86Å; F39-Y101 HydrophobicContact CE1-CD2 3.86Å; F39-Y101 AromaticContact CE1-CG 3.93Å; F39-Y101 HydrophobicContact CE1-CG 3.93Å; F39-Y101 AromaticContact CE2-CD1 3.97Å; F39-Y101 HydrophobicContact CE2-CD1 3.97Å; F39-Y101 HydrophobicContact CE2-CD2 4.35Å; F39-Y101 HydrophobicContact CE2-CE1 4.19Å; F39-Y101 HydrophobicContact CE2-CG 4.05Å; F39-Y101 AromaticContact CZ-CD1 3.95Å; F39-Y101 HydrophobicContact CZ-CD1 3.95Å; F39-Y101 AromaticContact CZ-CD2 3.51Å; F39-Y101 HydrophobicContact CZ-CD2 3.51Å; F39-Y101 HydrophobicContact CZ-CE1 4.21Å; F39-Y101 AromaticContact CZ-CE2 3.82Å; F39-Y101 HydrophobicContact CZ-CE2 3.82Å; F39-Y101 AromaticContact CZ-CG 3.58Å; F39-Y101 HydrophobicContact CZ-CG 3.58Å; T54-Y101 WeakPolarHBondContact O-CA 3.31Å; F55-Y101 HydrophobicContact CB-CD1 4.15Å; F55-Y101 HydrophobicContact CB-CE1 3.93Å; F55-Y101 AromaticContact CD2-CD1 3.94Å; F55-Y101 HydrophobicContact CD2-CD1 3.94Å; F55-Y101 HydrophobicContact CD2-CD2 4.01Å; F55-Y101 AromaticContact CD2-CE1 3.45Å; F55-Y101 HydrophobicContact CD2-CE1 3.45Å; F55-Y101 VanDerWaalsContact CD2-CE1 3.45Å; F55-Y101 AromaticContact CD2-CE2 3.49Å; F55-Y101 HydrophobicContact CD2-CE2 3.49Å; F55-Y101 VanDerWaalsContact CD2-CE2 3.49Å; F55-Y101 HydrophobicContact CD2-CG 4.21Å; F55-Y101 AromaticContact CD2-CZ 3.2Å; F55-Y101 WeakPolarHBondContact CD2-OH 3.3Å; F55-Y101 HydrophobicContact CE2-CD2 4.4Å; F55-Y101 HydrophobicContact CE2-CE1 4.25Å; F55-Y101 AromaticContact CE2-CE2 3.61Å; F55-Y101 HydrophobicContact CE2-CE2 3.61Å; F55-Y101 AromaticContact CE2-CZ 3.53Å; F55-Y101 WeakPolarHBondContact CE2-OH 3.33Å; F55-Y101 HydrophobicContact CG-CD1 4.47Å; F55-Y101 AromaticContact CG-CE1 3.94Å; F55-Y101 HydrophobicContact CG-CE1 3.94Å; K75-Y101 PolarHBondContact NZ-OH 3.21Å; M88-Y101 HydrophobicContact CE-CD1 3.67Å; M88-Y101 HydrophobicContact CE-CE1 4.14Å; L90-Y101 HydrophobicContact CD2-CE1 4.14Å; L90-Y101 VanDerWaalsContact CD2-OH 3.3Å; L90-Y101 WeakPolarHBondContact CD2-OH 3Å; D97-Y101 VanDerWaalsContact O-CE2 3.28Å; D97-Y101 WeakPolarHBondContact O-CE2 3.28Å; D97-Y101 PolarHBondContact O-OH 3.02Å; Y101-E117 CarbonylContact O-C 3.52Å; Y101-E117 WeakPolarHBondContact O-CA 3.16Å; Y101-Y118 PolarHBondContact N-O 2.76Å; Y101-Y118 WeakPolarHBondContact O-CD2 3.35Å; Y101-Y118 PolarHBondContact O-N 2.96Å; Y101-L120 HydrophobicContact CD2-CB 3.92Å; Y101-L120 HydrophobicContact CE2-CB 3.69Å; Y101-L120 HydrophobicContact CE2-CD2 3.91Å; Y101-L120 HydrophobicContact CE2-CG 4.44Å |
| 102 | R | 95.8 | Very high | 91.8 | Very high | 62 Ų | 62 | 57.8 Ų | 57.8 | 23% | 0.234 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 123.1 | -176.2 | 179.6 | 173.1 | 178.8 | -89.3 | -14.7 | 109.5 | W53 T54 E104 T115 E117 | W53-R102 WeakPolarHBondContact CA-O 3.35Å; T54-R102 PolarHBondContact N-O 3.46Å; T54-R102 PolarHBondContact O-N 3.01Å; R102-E104 IonicContact CZ-OE2 3.2Å; R102-E104 IonicContact NH1-OE2 2.71Å; R102-E104 PolarHBondContact NH1-OE2 3.34Å; R102-E104 IonicContact NH2-OE2 2.77Å; R102-E104 PolarHBondContact NH2-OE2 2.98Å; R102-T115 HydrophobicContact CG-CG2 3.9Å; R102-T115 VanDerWaalsContact NE-CG2 3.27Å; R102-T115 PolarHBondContact NH2-OG1 3.02Å; R102-E117 HydrophobicContact CB-CG 4.49Å; R102-E117 VanDerWaalsContact CD-OE1 3.31Å; R102-E117 WeakPolarHBondContact CD-OE1 3.43Å; R102-E117 HydrophobicContact CG-CG 4.17Å; R102-E117 IonicContact NE-OE1 3.88Å |
| 103 | A | 94.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 117.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | V51 W53 Q116 | V51-A103 HydrophobicContact CG1-CB 3.96Å; W53-A103 HydrophobicContact CD2-CB 4.14Å; W53-A103 HydrophobicContact CE3-CB 3.97Å; W53-A103 HydrophobicContact CH2-CB 3.76Å; W53-A103 HydrophobicContact CZ2-CB 3.93Å; W53-A103 HydrophobicContact CZ3-CB 3.79Å; A103-Q116 HydrophobicContact CB-CB 4.5Å; A103-Q116 PolarHBondContact N-O 2.71Å; A103-Q116 PolarHBondContact O-N 3.32Å |
| 104 | E | 94.6 | Very high | 91.3 | Very high | 41 Ų | 41 | 54.6 Ų | 54.6 | 19% | 0.192 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 113.4 | 172.4 | -172.8 | -179.1 | 102.4 | 0 | 0 | 108.7 | V51 I52 R102 H106 P113 | V51-E104 WeakPolarHBondContact CA-O 3.36Å; I52-E104 HydrophobicContact CB-CB 4.36Å; I52-E104 PolarHBondContact N-O 2.93Å; I52-E104 PolarHBondContact O-N 3.12Å; R102-E104 IonicContact CZ-OE2 3.2Å; R102-E104 IonicContact NH1-OE2 2.71Å; R102-E104 PolarHBondContact NH1-OE2 3.34Å; R102-E104 IonicContact NH2-OE2 2.77Å; R102-E104 PolarHBondContact NH2-OE2 2.98Å; E104-H106 IonicContact OE1-CD2 3.92Å; E104-H106 IonicContact OE1-CE1 2.8Å; E104-H106 IonicContact OE1-NE2 2.59Å; E104-H106 PolarHBondContact OE1-NE2 2.96Å; E104-P113 HydrophobicContact CG-CB 3.78Å; E104-P113 HydrophobicContact CG-CG 4.22Å |
| 105 | I | 92.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 120.4 | -171.8 | -49.3 | -175.9 | 0 | 0 | 0 | 109.1 | V41 F43 I48 V51 P113 F114 | V41-I105 HydrophobicContact CG1-CD1 3.62Å; F43-I105 HydrophobicContact CB-CD1 4.02Å; F43-I105 HydrophobicContact CD1-CG2 4.32Å; F43-I105 HydrophobicContact CD2-CD1 3.95Å; F43-I105 HydrophobicContact CD2-CG2 4.1Å; F43-I105 HydrophobicContact CE1-CG2 4.41Å; F43-I105 HydrophobicContact CE2-CG2 4.28Å; F43-I105 HydrophobicContact CG-CD1 4.16Å; F43-I105 HydrophobicContact CG-CG2 4.16Å; F43-I105 HydrophobicContact CZ-CG2 4.43Å; I48-I105 HydrophobicContact CB-CG2 4.46Å; I48-I105 HydrophobicContact CD1-CG2 4.13Å; I48-I105 HydrophobicContact CG1-CG2 3.95Å; I48-I105 HydrophobicContact CG2-CG2 3.8Å; V51-I105 HydrophobicContact CG2-CB 4.45Å; V51-I105 HydrophobicContact CG2-CG1 4.16Å; V51-I105 HydrophobicContact CG2-CG2 4.2Å; I105-P113 CarbonylContact O-C 3.55Å; I105-P113 VanDerWaalsContact O-CA 3.31Å; I105-P113 WeakPolarHBondContact O-CA 3.31Å; I105-P113 WeakPolarHBondContact O-CB 3.41Å; I105-F114 HydrophobicContact CB-CB 4.36Å; I105-F114 HydrophobicContact CD1-CD1 3.89Å; I105-F114 HydrophobicContact CG1-CD1 4.41Å; I105-F114 PolarHBondContact N-O 3.31Å; I105-F114 PolarHBondContact O-N 3.03Å |
| 106 | H | 91.8 | Very high | 91.3 | Very high | 67 Ų | 67 | 45.5 Ų | 45.5 | 31% | 0.31 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 129.2 | 175 | -68 | -105.6 | 0 | 0 | 0 | 109.4 | D49 T50 E104 | D49-H106 PolarHBondContact N-O 2.76Å; T50-H106 PolarHBondContact N-O 2.96Å; T50-H106 PolarHBondContact O-N 2.85Å; E104-H106 IonicContact OE1-CD2 3.92Å; E104-H106 IonicContact OE1-CE1 2.8Å; E104-H106 IonicContact OE1-NE2 2.59Å; E104-H106 PolarHBondContact OE1-NE2 2.96Å |
| 107 | S | 89.5 | Confident | 91.5 | Very high | 11 Ų | 11 | 42.7 Ų | 42.7 | 8% | 0.077 | 23% | 0.233 | C | C | . | . | trans | -141.7 | 142.4 | 172.4 | -179.9 | 0 | 0 | 0 | 0 | 109.5 | Q47 D49 S109 L110 | Q47-S107 PolarHBondContact O-OG 3.27Å; Q47-S107 VanDerWaalsContact O-OG 3.09Å; D49-S107 WeakPolarHBondContact OD2-CA 3.26Å; S107-S109 PolarHBondContact O-N 2.87Å; S107-S109 PolarHBondContact OG-N 2.03Å; S107-S109 PolarHBondContact OG-OG 2.97Å; S107-L110 PolarHBondContact O-N 3.1Å | ||
| 108 | T | 87.6 | Confident | 91.6 | Very high | 118 Ų | 118 | 42.6 Ų | 42.6 | 72% | 0.724 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -16.3 | 171.6 | 36.4 | 0 | 0 | 0 | 0 | 114.6 | D49 | D49-T108 WeakPolarHBondContact OD2-CB 3.39Å; D49-T108 WeakPolarHBondContact OD2-CG2 3.23Å; D49-T108 PolarHBondContact OD2-N 2.95Å; D49-T108 PolarHBondContact OD2-OG1 3.48Å |
| 109 | S | 84.1 | Confident | 91.7 | Very high | 68 Ų | 68 | 41.8 Ų | 41.8 | 48% | 0.476 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -16.4 | 170.3 | 43.2 | 0 | 0 | 0 | 0 | 114.3 | E45 S107 | E45-S109 WeakPolarHBondContact OE2-CB 3.35Å; E45-S109 PolarHBondContact OE2-OG 3.48Å; S107-S109 PolarHBondContact O-N 2.87Å; S107-S109 PolarHBondContact OG-N 2.03Å; S107-S109 PolarHBondContact OG-OG 2.97Å |
| 110 | L | 81.3 | Confident | 91.8 | Very high | 49 Ų | 49 | 40.9 Ų | 40.9 | 26% | 0.257 | 22% | 0.217 | S | C | . | . | trans | -96.1 | 144.8 | 179.7 | -63.7 | 179.6 | 0 | 0 | 0 | 112.5 | F43 E45 S107 S112 F114 | F43-L110 HydrophobicContact CE2-CD1 3.84Å; F43-L110 HydrophobicContact CE2-CD2 4.41Å; F43-L110 HydrophobicContact CE2-CG 4.46Å; F43-L110 HydrophobicContact CZ-CD1 3.64Å; F43-L110 HydrophobicContact CZ-CD2 4.08Å; F43-L110 HydrophobicContact CZ-CG 3.92Å; E45-L110 WeakPolarHBondContact OE2-CD2 3.41Å; S107-L110 PolarHBondContact O-N 3.1Å; L110-S112 WeakPolarHBondContact CB-O 3.31Å; L110-S112 WeakPolarHBondContact CD1-O 3.44Å; L110-F114 HydrophobicContact CD1-CB 3.83Å | ||
| 111 | Q | 84.2 | Confident | 91.7 | Very high | 205 Ų | 205 | 42.9 Ų | 42.9 | 96% | 0.958 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -85.2 | -20.3 | 170 | -165.1 | 172.7 | 28.8 | 0 | 0 | 113.1 | ||
| 112 | S | 85.6 | Confident | 91.6 | Very high | 22 Ų | 22 | 43.1 Ų | 43.1 | 15% | 0.154 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -143.8 | 146.6 | 176.4 | 59.5 | 0 | 0 | 0 | 0 | 109.5 | T20 L110 F114 | T20-S112 PolarHBondContact O-OG 3.13Å; L110-S112 WeakPolarHBondContact CB-O 3.31Å; L110-S112 WeakPolarHBondContact CD1-O 3.44Å; S112-F114 PolarHBondContact O-N 3.34Å |
| 113 | P | 89.9 | Confident | 91.5 | Very high | 35 Ų | 35 | 41.1 Ų | 41.1 | 23% | 0.227 | 21% | 0.213 | C | C | . | . | trans | -65.8 | 136.5 | -176.6 | 26.3 | -34.2 | 0 | 0 | 0 | 111.8 | E104 I105 | E104-P113 HydrophobicContact CG-CB 3.78Å; E104-P113 HydrophobicContact CG-CG 4.22Å; I105-P113 CarbonylContact O-C 3.55Å; I105-P113 VanDerWaalsContact O-CA 3.31Å; I105-P113 WeakPolarHBondContact O-CA 3.31Å; I105-P113 WeakPolarHBondContact O-CB 3.41Å | ||
| 114 | F | 90.9 | Very high | 91.3 | Very high | 30 Ų | 30 | 43.8 Ų | 43.8 | 13% | 0.132 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 134.2 | 175.6 | 179.4 | -89.6 | 0 | 0 | 0 | 110 | T22 F43 I105 L110 S112 Q116 | T22-F114 HydrophobicContact CG2-CD2 3.75Å; T22-F114 HydrophobicContact CG2-CE2 3.94Å; T22-F114 CarbonylContact O-C 3.57Å; T22-F114 VanDerWaalsContact O-CA 3.32Å; T22-F114 WeakPolarHBondContact O-CA 3.25Å; T22-F114 VanDerWaalsContact O-CD2 3.25Å; T22-F114 WeakPolarHBondContact O-CD2 3.49Å; F43-F114 HydrophobicContact CD2-CB 4.19Å; F43-F114 HydrophobicContact CD2-CD1 4.01Å; F43-F114 HydrophobicContact CD2-CG 4.1Å; F43-F114 HydrophobicContact CE2-CB 3.71Å; F43-F114 HydrophobicContact CE2-CD1 4.37Å; F43-F114 HydrophobicContact CE2-CG 4.01Å; I105-F114 HydrophobicContact CB-CB 4.36Å; I105-F114 HydrophobicContact CD1-CD1 3.89Å; I105-F114 HydrophobicContact CG1-CD1 4.41Å; I105-F114 PolarHBondContact N-O 3.31Å; I105-F114 PolarHBondContact O-N 3.03Å; L110-F114 HydrophobicContact CD1-CB 3.83Å; S112-F114 PolarHBondContact O-N 3.34Å; F114-Q116 HydrophobicContact CE1-CB 4.17Å |
| 115 | T | 92.2 | Very high | 91.1 | Very high | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 132.7 | -179.5 | -63 | 0 | 0 | 0 | 0 | 110.6 | T22 S23 G24 R102 E117 | T22-T115 PolarHBondContact O-N 3.02Å; S23-T115 CarbonylContact C-O 3.58Å; S23-T115 WeakPolarHBondContact CA-O 3.43Å; G24-T115 PolarHBondContact N-O 2.88Å; R102-T115 HydrophobicContact CG-CG2 3.9Å; R102-T115 VanDerWaalsContact NE-CG2 3.27Å; R102-T115 PolarHBondContact NH2-OG1 3.02Å; T115-E117 HydrophobicContact CG2-CG 3.68Å |
| 116 | Q | 93.2 | Very high | 91.1 | Very high | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.019 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 121.7 | 168 | -172 | -177.9 | -26.2 | 0 | 0 | 109.6 | T40 A103 F114 Y118 | T40-Q116 PolarHBondContact O-NE2 3.04Å; A103-Q116 HydrophobicContact CB-CB 4.5Å; A103-Q116 PolarHBondContact N-O 2.71Å; A103-Q116 PolarHBondContact O-N 3.32Å; F114-Q116 HydrophobicContact CE1-CB 4.17Å; Q116-Y118 HydrophobicContact CG-CE2 4.19Å; Q116-Y118 PolarHBondContact NE2-OH 2.8Å |
| 117 | E | 95.3 | Very high | 91.1 | Very high | 62 Ų | 62 | 46.8 Ų | 46.8 | 29% | 0.29 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 149.9 | -176 | -54.8 | -162.3 | 150.7 | 0 | 0 | 112.2 | L26 K27 Y101 R102 T115 | L26-E117 HydrophobicContact CD1-CB 3.56Å; K27-E117 PolarHBondContact N-O 3.35Å; Y101-E117 CarbonylContact O-C 3.52Å; Y101-E117 WeakPolarHBondContact O-CA 3.16Å; R102-E117 HydrophobicContact CB-CG 4.49Å; R102-E117 VanDerWaalsContact CD-OE1 3.31Å; R102-E117 WeakPolarHBondContact CD-OE1 3.43Å; R102-E117 HydrophobicContact CG-CG 4.17Å; R102-E117 IonicContact NE-OE1 3.88Å; T115-E117 HydrophobicContact CG2-CG 3.68Å |
| 118 | Y | 96.8 | Very high | 91.3 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 148.5 | 176.8 | -46 | -109.3 | 0 | 0 | 0 | 110.1 | K27 V29 F39 T40 W53 V100 Y101 Q116 | K27-Y118 HydrophobicContact CB-CD1 3.74Å; K27-Y118 HydrophobicContact CB-CE1 4.38Å; K27-Y118 HydrophobicContact CB-CG 4.4Å; K27-Y118 HydrophobicContact CD-CD1 4.27Å; K27-Y118 HydrophobicContact CD-CE1 4.06Å; K27-Y118 CarbonylContact O-C 3.53Å; K27-Y118 WeakPolarHBondContact O-CA 3.45Å; K27-Y118 WeakPolarHBondContact O-CB 3.28Å; V29-Y118 HydrophobicContact CG2-CD1 3.77Å; V29-Y118 HydrophobicContact CG2-CG 4.4Å; F39-Y118 VanDerWaalsContact C-OH 3.25Å; F39-Y118 HydrophobicContact CB-CD1 4.47Å; F39-Y118 HydrophobicContact CB-CD2 4.38Å; F39-Y118 HydrophobicContact CB-CE1 4.03Å; F39-Y118 HydrophobicContact CB-CE2 3.97Å; F39-Y118 AromaticContact CD1-CD1 3.85Å; F39-Y118 HydrophobicContact CD1-CD1 3.85Å; F39-Y118 HydrophobicContact CD1-CD2 4.05Å; F39-Y118 HydrophobicContact CD1-CE1 4.26Å; F39-Y118 HydrophobicContact CD1-CE2 4.47Å; F39-Y118 AromaticContact CD1-CG 3.72Å; F39-Y118 HydrophobicContact CD1-CG 3.72Å; F39-Y118 HydrophobicContact CE1-CG 4.41Å; T40-Y118 PolarHBondContact N-OH 3.3Å; T40-Y118 VanDerWaalsContact N-OH 3.16Å; T40-Y118 PolarHBondContact O-OH 3.48Å; W53-Y118 AromaticContact CH2-CE2 3.67Å; W53-Y118 HydrophobicContact CH2-CE2 3.67Å; W53-Y118 HydrophobicContact CZ3-CD2 4.24Å; W53-Y118 AromaticContact CZ3-CE2 3.72Å; W53-Y118 HydrophobicContact CZ3-CE2 3.72Å; V100-Y118 CarbonylContact C-O 3.57Å; V100-Y118 WeakPolarHBondContact CA-O 3.46Å; Y101-Y118 PolarHBondContact N-O 2.76Å; Y101-Y118 WeakPolarHBondContact O-CD2 3.35Å; Y101-Y118 PolarHBondContact O-N 2.96Å; Q116-Y118 HydrophobicContact CG-CE2 4.19Å; Q116-Y118 PolarHBondContact NE2-OH 2.8Å |
| 119 | V | 97 | Very high | 91.7 | Very high | 22 Ų | 22 | 44 Ų | 44 | 13% | 0.133 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 119.1 | 164.6 | -167.5 | 0 | 0 | 0 | 0 | 108.3 | L26 K27 V29 Y121 | L26-V119 HydrophobicContact CD1-CG2 3.84Å; L26-V119 HydrophobicContact CD2-CG2 3.89Å; L26-V119 HydrophobicContact CG-CG2 4.05Å; K27-V119 PolarHBondContact O-N 3.31Å; V29-V119 PolarHBondContact N-O 2.94Å; V119-Y121 HydrophobicContact CB-CE2 3.98Å; V119-Y121 HydrophobicContact CG1-CD2 4.31Å; V119-Y121 HydrophobicContact CG1-CE1 4.19Å; V119-Y121 HydrophobicContact CG1-CE2 3.64Å |
| 120 | L | 97 | Very high | 92.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 128.9 | 171.9 | 178.5 | 59.4 | 0 | 0 | 0 | 110 | V29 V37 F39 L90 L93 S98 G99 Y101 V122 | V29-L120 HydrophobicContact CB-CD1 4.28Å; V29-L120 HydrophobicContact CG1-CD1 3.99Å; V29-L120 WeakPolarHBondContact O-CA 3.4Å; V29-L120 WeakPolarHBondContact O-CD1 3.5Å; V37-L120 HydrophobicContact CG1-CD1 4.15Å; V37-L120 HydrophobicContact CG2-CD1 4.01Å; V37-L120 HydrophobicContact CG2-CD2 4.09Å; F39-L120 HydrophobicContact CE1-CB 4.34Å; F39-L120 HydrophobicContact CZ-CB 4.25Å; F39-L120 HydrophobicContact CZ-CD2 4.09Å; L90-L120 HydrophobicContact CD2-CD2 4.29Å; L93-L120 HydrophobicContact CD2-CD2 4.04Å; S98-L120 CarbonylContact C-O 3.46Å; S98-L120 WeakPolarHBondContact CA-O 3.49Å; S98-L120 VanDerWaalsContact CB-O 3.29Å; S98-L120 WeakPolarHBondContact CB-O 3.48Å; G99-L120 PolarHBondContact N-O 2.75Å; G99-L120 PolarHBondContact O-N 2.02Å; Y101-L120 HydrophobicContact CD2-CB 3.92Å; Y101-L120 HydrophobicContact CE2-CB 3.69Å; Y101-L120 HydrophobicContact CE2-CD2 3.91Å; Y101-L120 HydrophobicContact CE2-CG 4.44Å; L120-V122 HydrophobicContact CD1-CG2 4.33Å; L120-V122 HydrophobicContact CD2-CG2 3.86Å; L120-V122 HydrophobicContact CG-CG2 3.87Å |
| 121 | Y | 95.4 | Very high | 92.7 | Very high | 95 Ų | 95 | 45.5 Ų | 45.5 | 37% | 0.373 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 122.4 | 165.5 | -59.5 | -83.8 | 0 | 0 | 0 | 109.4 | E28 V29 G31 V119 Y123 | E28-Y121 HydrophobicContact CG-CE2 4.3Å; V29-Y121 PolarHBondContact O-N 3.29Å; G31-Y121 PolarHBondContact N-O 2.99Å; V119-Y121 HydrophobicContact CB-CE2 3.98Å; V119-Y121 HydrophobicContact CG1-CD2 4.31Å; V119-Y121 HydrophobicContact CG1-CE1 4.19Å; V119-Y121 HydrophobicContact CG1-CE2 3.64Å; Y121-Y123 VanDerWaalsContact CB-CE2 3.48Å; Y121-Y123 HydrophobicContact CG-CE2 4.47Å |
| 122 | V | 94.7 | Very high | 93 | Very high | 6 Ų | 6 | 39.1 Ų | 39.1 | 4% | 0.036 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 112.5 | 177.7 | -175.5 | 0 | 0 | 0 | 0 | 110.1 | G31 L33 L93 D97 S98 L120 | G31-V122 WeakPolarHBondContact O-CA 3.41Å; L33-V122 HydrophobicContact CD1-CG1 4.21Å; L93-V122 HydrophobicContact CB-CG1 3.89Å; L93-V122 HydrophobicContact CB-CG2 4.19Å; L93-V122 HydrophobicContact CD1-CG2 4.35Å; D97-V122 HydrophobicContact CB-CG2 4.31Å; S98-V122 WeakPolarHBondContact OG-CB 3.46Å; S98-V122 PolarHBondContact OG-N 2.88Å; L120-V122 HydrophobicContact CD1-CG2 4.33Å; L120-V122 HydrophobicContact CD2-CG2 3.86Å; L120-V122 HydrophobicContact CG-CG2 3.87Å |
| 123 | Y | 92.8 | Very high | 93.1 | Very high | 21 Ų | 21 | 40.8 Ų | 40.8 | 8% | 0.082 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 154.8 | -179.2 | -63.7 | -83.3 | 0 | 0 | 0 | 112.2 | V30 G31 A32 L33 Y121 D156 N157 P198 I199 | V30-Y123 HydrophobicContact CG1-CD2 3.86Å; V30-Y123 HydrophobicContact CG1-CE2 4.05Å; G31-Y123 PolarHBondContact O-N 2.91Å; A32-Y123 CarbonylContact C-O 3.57Å; A32-Y123 WeakPolarHBondContact CA-O 3.4Å; L33-Y123 PolarHBondContact N-O 2.84Å; Y121-Y123 VanDerWaalsContact CB-CE2 3.48Å; Y121-Y123 HydrophobicContact CG-CE2 4.47Å; Y123-D156 HydrophobicContact CD1-CB 3.95Å; Y123-D156 WeakPolarHBondContact CD1-O 3.23Å; Y123-D156 HydrophobicContact CE1-CB 3.86Å; Y123-D156 VanDerWaalsContact CE1-O 3.28Å; Y123-D156 WeakPolarHBondContact CE1-O 3.34Å; Y123-N157 HydrophobicContact CE1-CB 3.77Å; Y123-N157 PolarHBondContact OH-ND2 3.07Å; Y123-P198 HydrophobicContact CD2-CB 4.25Å; Y123-P198 HydrophobicContact CD2-CG 4.36Å; Y123-P198 HydrophobicContact CE1-CG 4.37Å; Y123-P198 HydrophobicContact CE2-CB 3.92Å; Y123-P198 HydrophobicContact CE2-CG 3.75Å; Y123-I199 WeakPolarHBondContact O-CD1 3.47Å |
| 124 | E | 91.4 | Very high | 92.4 | Very high | 56 Ų | 56 | 42.3 Ų | 42.3 | 26% | 0.262 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -87.8 | 151 | 164.8 | -82 | 127.9 | -168.7 | 0 | 0 | 111.8 | L33 K95 N197 | L33-E124 HydrophobicContact CB-CG 4.08Å; L33-E124 HydrophobicContact CD2-CG 3.79Å; L33-E124 HydrophobicContact CG-CG 4.39Å; K95-E124 WeakPolarHBondContact CE-OE1 3.27Å; K95-E124 WeakPolarHBondContact CE-OE2 3.37Å; K95-E124 IonicContact NZ-OE1 2.78Å; K95-E124 IonicContact NZ-OE2 3.6Å; K95-E124 PolarHBondContact NZ-OE2 3.05Å; E124-N197 PolarHBondContact O-ND2 2.71Å |
| 125 | T | 90.8 | Very high | 91.2 | Very high | 103 Ų | 103 | 50.4 Ų | 50.4 | 63% | 0.632 | 27% | 0.27 | S | S | * | . | P | Polyproline II helix | trans | -71.8 | 127.7 | 173.9 | -56.7 | 0 | 0 | 0 | 0 | 109 | S127 | T125-S127 PolarHBondContact O-N 3.49Š|
| 126 | L | 92.2 | Very high | 89.8 | Confident | 22 Ų | 22 | 55 Ų | 55 | 12% | 0.115 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 133.1 | -175.5 | -60.8 | -178.8 | 0 | 0 | 0 | 112.6 | V151 V158 A195 N197 S200 | L126-V151 HydrophobicContact CB-CG1 4.45Å; L126-V151 HydrophobicContact CD2-CG1 4.49Å; L126-V158 HydrophobicContact CD1-CG1 4.24Å; L126-V158 HydrophobicContact CD1-CG2 4.13Å; L126-V158 HydrophobicContact CD2-CG2 3.54Å; L126-V158 HydrophobicContact CG-CG2 4.48Å; L126-A195 HydrophobicContact CD1-CB 4.04Å; L126-N197 HydrophobicContact CD1-CB 4.11Å; L126-N197 HydrophobicContact CD2-CB 4.38Å; L126-N197 HydrophobicContact CG-CB 4.31Å; L126-S200 PolarHBondContact N-OG 2.81Å |
| 127 | S | 91.8 | Very high | 88.1 | Confident | 46 Ų | 46 | 59.1 Ų | 59.1 | 32% | 0.322 | 32% | 0.318 | S | S | . | . | trans | -68.3 | 174.1 | 166.9 | 58.7 | 0 | 0 | 0 | 0 | 111.5 | T125 P129 S202 | T125-S127 PolarHBondContact O-N 3.49Å; S127-P129 VanDerWaalsContact O-CD 3.31Å; S127-P129 WeakPolarHBondContact O-CD 3.24Å; S127-S202 VanDerWaalsContact O-CB 3.26Å; S127-S202 WeakPolarHBondContact O-CB 3.48Å; S127-S202 PolarHBondContact O-OG 2.8Å | ||
| 128 | A | 93.3 | Very high | 86.4 | Confident | 64 Ų | 64 | 58.9 Ų | 58.9 | 53% | 0.529 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 116.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | K130 S202 | A128-K130 PolarHBondContact O-N 3.5Å; A128-S202 WeakPolarHBondContact CA-OG 3.33Å |
| 129 | P | 94.9 | Very high | 84.7 | Confident | 5 Ų | 5 | 65.8 Ų | 65.8 | 3% | 0.032 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -66 | 138.6 | -179.5 | 27.1 | -35 | 0 | 0 | 0 | 111 | S127 S150 V151 A195 S202 S204 | S127-P129 VanDerWaalsContact O-CD 3.31Å; S127-P129 WeakPolarHBondContact O-CD 3.24Å; P129-S150 CarbonylContact C-O 3.59Å; P129-S150 VanDerWaalsContact CA-O 3.25Å; P129-S150 WeakPolarHBondContact CA-O 3.26Å; P129-V151 HydrophobicContact CB-CG1 4.07Å; P129-A195 HydrophobicContact CB-CB 4.14Å; P129-A195 HydrophobicContact CG-CB 4.02Å; P129-S202 VanDerWaalsContact CD-OG 3.23Å; P129-S202 WeakPolarHBondContact CD-OG 3.25Å; P129-S204 WeakPolarHBondContact O-CA 3.34Å; P129-S204 VanDerWaalsContact O-CB 3.28Å; P129-S204 WeakPolarHBondContact O-CB 3.26Å |
| 130 | K | 93.4 | Very high | 83 | Confident | 112 Ų | 112 | 73 Ų | 73 | 49% | 0.487 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 150.6 | 173.7 | -72.6 | 179.3 | 169.8 | 175.5 | 0 | 110.1 | A128 C149 S150 E152 | A128-K130 PolarHBondContact O-N 3.5Å; K130-C149 WeakPolarHBondContact O-CA 3.13Å; K130-S150 PolarHBondContact N-O 2.97Å; K130-S150 PolarHBondContact O-N 3.28Å; K130-S150 VanDerWaalsContact O-N 3.08Å; K130-E152 HydrophobicContact CD-CG 4.14Å; K130-E152 VanDerWaalsContact CE-OE1 3.23Å; K130-E152 WeakPolarHBondContact CE-OE1 3.41Å; K130-E152 IonicContact NZ-OE1 2.75Å; K130-E152 PolarHBondContact NZ-OE1 2.9Å |
| 131 | V | 93.6 | Very high | 81.5 | Confident | 37 Ų | 37 | 76 Ų | 76 | 22% | 0.224 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 122.7 | 170.6 | 171.7 | 0 | 0 | 0 | 0 | 107.4 | L147 T148 W162 C193 V207 | V131-L147 HydrophobicContact CG1-CB 4.16Å; V131-L147 HydrophobicContact CG1-CD1 4.38Å; V131-L147 HydrophobicContact CG1-CD2 4.12Å; V131-L147 HydrophobicContact CG1-CG 4.46Å; V131-T148 WeakPolarHBondContact CA-O 3.42Å; V131-W162 HydrophobicContact CB-CH2 4.25Å; V131-W162 HydrophobicContact CG1-CH2 3.74Å; V131-W162 HydrophobicContact CG2-CH2 3.52Å; V131-W162 HydrophobicContact CG2-CZ2 4.44Å; V131-W162 HydrophobicContact CG2-CZ3 4.01Å; V131-C193 HydrophobicContact CG2-CB 4.33Å; V131-V207 HydrophobicContact CB-CG2 4.28Å; V131-V207 HydrophobicContact CG1-CG2 4.3Å; V131-V207 HydrophobicContact CG2-CG2 4.29Å |
| 132 | T | 90.9 | Very high | 80.5 | Confident | 72 Ų | 72 | 72.7 Ų | 72.7 | 44% | 0.442 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 160.9 | 168.2 | 56.9 | 0 | 0 | 0 | 0 | 109.9 | L147 T148 | T132-L147 CarbonylContact O-C 3.47Å; T132-L147 WeakPolarHBondContact O-CA 3.42Å; T132-T148 PolarHBondContact N-O 3.37Å; T132-T148 PolarHBondContact O-N 2.91Å; T132-T148 PolarHBondContact OG1-O 2.89Å |
| 133 | T | 86.8 | Confident | 79.7 | Confident | 57 Ų | 57 | 73 Ų | 73 | 35% | 0.35 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 123.9 | -172.5 | -54.3 | 0 | 0 | 0 | 0 | 108.7 | E135 T145 K146 L147 L212 | T133-E135 PolarHBondContact O-N 2.86Å; T133-T145 HydrophobicContact CG2-CG2 4.04Å; T133-T145 WeakPolarHBondContact CG2-OG1 3.48Å; T133-K146 WeakPolarHBondContact CA-O 3.48Å; T133-L147 HydrophobicContact CG2-CD2 4.04Å; T133-L147 WeakPolarHBondContact OG1-CD2 3.35Å; T133-L212 HydrophobicContact CG2-CD2 4.21Å; T133-L212 WeakPolarHBondContact OG1-CD2 3.39Å |
| 134 | D | 77 | Confident | 79.3 | Confident | 67 Ų | 67 | 75.4 Ų | 75.4 | 36% | 0.358 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 114.4 | 172.4 | -70.1 | -13.5 | 0 | 0 | 0 | 108.8 | Q136 T145 K146 | D134-Q136 PolarHBondContact O-N 3.08Å; D134-T145 PolarHBondContact O-OG1 2.84Å; D134-K146 HydrophobicContact CB-CB 4.17Å; D134-K146 PolarHBondContact N-O 2.69Å; D134-K146 WeakPolarHBondContact OD2-CD 3.36Å |
| 135 | E | 65.3 | Low | 79 | Confident | 200 Ų | 200 | 73 Ų | 73 | 94% | 0.935 | 42% | 0.421 | S | S | * | . | trans | -62.1 | 110.3 | 177.2 | -73.3 | -173 | -168.7 | 0 | 0 | 110.9 | T133 | T133-E135 PolarHBondContact O-N 2.86Š| ||
| 136 | Q | 62.6 | Low | 79 | Confident | 100 Ų | 100 | 72.6 Ų | 72.6 | 47% | 0.467 | 41% | 0.411 | S | S | . | . | trans | -131.3 | 120.5 | -176.7 | -169.4 | 85.5 | 62.5 | 0 | 0 | 107.6 | D134 S138 T144 | D134-Q136 PolarHBondContact O-N 3.08Å; Q136-S138 PolarHBondContact O-N 2.78Å; Q136-T144 WeakPolarHBondContact CB-O 3.49Å; Q136-T144 VanDerWaalsContact CG-O 3.31Å; Q136-T144 WeakPolarHBondContact CG-O 3.37Å | ||
| 137 | P | 56.5 | Low | 79 | Confident | 92 Ų | 92 | 71.6 Ų | 71.6 | 60% | 0.597 | 41% | 0.405 | S | S | * | . | trans | -65.4 | 129.8 | -171.1 | 24 | -33.9 | 0 | 0 | 0 | 111.6 | ||||
| 138 | S | 61.1 | Low | 79.1 | Confident | 57 Ų | 57 | 71.1 Ų | 71.1 | 40% | 0.399 | 40% | 0.401 | S | S | . | . | trans | -55.6 | 140.7 | 174.4 | 57.8 | 0 | 0 | 0 | 0 | 111.6 | Q136 | Q136-S138 PolarHBondContact O-N 2.78Š| ||
| 139 | K | 59.3 | Low | 79.1 | Confident | 148 Ų | 148 | 68.2 Ų | 68.2 | 64% | 0.643 | 38% | 0.376 | S | S | * | . | B | Isolated β-bridge | trans | -133.5 | 130 | 178.6 | -68.8 | -176.2 | -179 | -179.2 | 0 | 111 | G141 S142 | K139-G141 VanDerWaalsContact C-N 3.32Å; K139-G141 PolarHBondContact O-N 3.4Å; K139-S142 PolarHBondContact N-O 2.81Å; K139-S142 PolarHBondContact O-N 2.95Å |
| 140 | N | 61.7 | Low | 79 | Confident | 174 Ų | 174 | 70.2 Ų | 70.2 | 93% | 0.93 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 42.1 | 171.3 | -54.6 | -7.1 | 0 | 0 | 0 | 114.2 | S142 | N140-S142 PolarHBondContact O-N 2.95Š|
| 141 | G | 65.4 | Low | 78.9 | Confident | 63 Ų | 63 | 65.5 Ų | 65.5 | 65% | 0.649 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | 1.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | K139 | K139-G141 VanDerWaalsContact C-N 3.32Å; K139-G141 PolarHBondContact O-N 3.4Å |
| 142 | S | 74.6 | Confident | 78.2 | Confident | 24 Ų | 24 | 70 Ų | 70 | 17% | 0.168 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 121.4 | 169.6 | -148.9 | 0 | 0 | 0 | 0 | 109 | K139 N140 S181 K183 | K139-S142 PolarHBondContact N-O 2.81Å; K139-S142 PolarHBondContact O-N 2.95Å; N140-S142 PolarHBondContact O-N 2.95Å; S142-S181 PolarHBondContact OG-OG 3.39Å; S142-K183 VanDerWaalsContact OG-CE 3.3Å; S142-K183 WeakPolarHBondContact OG-CE 3.31Å; S142-K183 VanDerWaalsContact OG-CG 3.31Å; S142-K183 WeakPolarHBondContact OG-CG 3.5Å |
| 143 | C | 79 | Confident | 77.3 | Confident | 13 Ų | 13 | 72.9 Ų | 72.9 | 9% | 0.088 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 134.7 | 165.1 | 172.3 | 0 | 0 | 0 | 0 | 108.1 | S181 W182 C213 | C143-S181 CarbonylContact O-C 3.49Å; C143-S181 VanDerWaalsContact O-CA 3.24Å; C143-S181 WeakPolarHBondContact O-CA 3.39Å; C143-S181 PolarHBondContact O-OG 3.03Å; C143-S181 VanDerWaalsContact O-OG 3.13Å; C143-W182 PolarHBondContact N-O 3.47Å; C143-W182 PolarHBondContact O-N 3.29Å; C143-C213 HydrophobicContact CB-CB 3.48Å; C143-C213 VanDerWaalsContact CB-CB 3.48Å; C143-C213 WeakPolarHBondContact CB-SG 3.45Å; C143-C213 WeakPolarHBondContact SG-CB 3.41Å; C143-C213 CovalentContact SG-SG 2.03Å; C143-C213 PolarHBondContact SG-SG 2.8Å |
| 144 | T | 84.7 | Confident | 76.1 | Confident | 71 Ų | 71 | 79.3 Ų | 79.3 | 44% | 0.436 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 115.9 | 175 | -60.8 | 0 | 0 | 0 | 0 | 107.8 | Q136 I180 S181 | Q136-T144 WeakPolarHBondContact CB-O 3.49Å; Q136-T144 VanDerWaalsContact CG-O 3.31Å; Q136-T144 WeakPolarHBondContact CG-O 3.37Å; T144-I180 VanDerWaalsContact CA-O 3.32Å; T144-I180 WeakPolarHBondContact CA-O 3.37Å; T144-I180 WeakPolarHBondContact CG2-O 3.37Å; T144-S181 PolarHBondContact OG1-OG 3.32Å |
| 145 | T | 84.6 | Confident | 75.5 | Confident | 7 Ų | 7 | 77.5 Ų | 77.5 | 4% | 0.043 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 168.2 | -178.4 | 177.3 | 0 | 0 | 0 | 0 | 109.5 | T133 D134 I180 | T133-T145 HydrophobicContact CG2-CG2 4.04Å; T133-T145 WeakPolarHBondContact CG2-OG1 3.48Å; D134-T145 PolarHBondContact O-OG1 2.84Å; T145-I180 HydrophobicContact CG2-CD1 3.76Å; T145-I180 HydrophobicContact CG2-CG1 3.61Å; T145-I180 PolarHBondContact N-O 2.94Å; T145-I180 VanDerWaalsContact N-O 3.1Å; T145-I180 PolarHBondContact O-N 3.46Å; T145-I180 VanDerWaalsContact O-O 3.09Å |
| 146 | K | 89.6 | Confident | 75.7 | Confident | 94 Ų | 94 | 71.9 Ų | 71.9 | 41% | 0.409 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 132.2 | 175.1 | -58.7 | 171.7 | -171.6 | 165.4 | 0 | 108.4 | T133 D134 I177 | T133-K146 WeakPolarHBondContact CA-O 3.48Å; D134-K146 HydrophobicContact CB-CB 4.17Å; D134-K146 PolarHBondContact N-O 2.69Å; D134-K146 WeakPolarHBondContact OD2-CD 3.36Å; K146-I177 HydrophobicContact CB-CG2 4.21Å |
| 147 | L | 92 | Very high | 76.7 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 127.9 | 169.5 | -56.7 | -178.8 | 0 | 0 | 0 | 108.9 | V131 T132 T133 W162 I177 L178 I180 L191 L212 | V131-L147 HydrophobicContact CG1-CB 4.16Å; V131-L147 HydrophobicContact CG1-CD1 4.38Å; V131-L147 HydrophobicContact CG1-CD2 4.12Å; V131-L147 HydrophobicContact CG1-CG 4.46Å; T132-L147 CarbonylContact O-C 3.47Å; T132-L147 WeakPolarHBondContact O-CA 3.42Å; T133-L147 HydrophobicContact CG2-CD2 4.04Å; T133-L147 WeakPolarHBondContact OG1-CD2 3.35Å; L147-W162 HydrophobicContact CB-CH2 3.53Å; L147-W162 HydrophobicContact CB-CZ2 3.69Å; L147-W162 HydrophobicContact CB-CZ3 4.39Å; L147-W162 HydrophobicContact CD1-CH2 3.93Å; L147-W162 HydrophobicContact CD1-CZ3 4.03Å; L147-W162 HydrophobicContact CG-CH2 4.38Å; L147-I177 CarbonylContact O-C 3.55Å; L147-I177 VanDerWaalsContact O-CA 3.3Å; L147-I177 WeakPolarHBondContact O-CA 3.28Å; L147-L178 HydrophobicContact CB-CB 4.45Å; L147-L178 PolarHBondContact N-O 3.16Å; L147-L178 PolarHBondContact O-N 3.22Å; L147-I180 HydrophobicContact CD1-CG2 4.33Å; L147-L191 HydrophobicContact CD1-CD1 3.54Å; L147-L212 HydrophobicContact CD1-CD1 3.75Å; L147-L212 HydrophobicContact CD2-CD1 3.75Å; L147-L212 HydrophobicContact CD2-CD2 3.74Å; L147-L212 HydrophobicContact CD2-CG 4.37Å; L147-L212 HydrophobicContact CG-CD1 4.27Å |
| 148 | T | 94.1 | Very high | 78.4 | Confident | 37 Ų | 37 | 69 Ų | 69 | 23% | 0.227 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 130.5 | 173.5 | -65.6 | 0 | 0 | 0 | 0 | 108.3 | V131 T132 | V131-T148 WeakPolarHBondContact CA-O 3.42Å; T132-T148 PolarHBondContact N-O 3.37Å; T132-T148 PolarHBondContact O-N 2.91Å; T132-T148 PolarHBondContact OG1-O 2.89Å |
| 149 | C | 93.9 | Very high | 80 | Confident | 3 Ų | 3 | 70 Ų | 70 | 2% | 0.02 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 132.8 | 177.2 | -176.8 | 0 | 0 | 0 | 0 | 111 | K130 Y160 W162 A176 C193 | K130-C149 WeakPolarHBondContact O-CA 3.13Å; C149-Y160 HydrophobicContact CB-CD1 4.17Å; C149-W162 HydrophobicContact CB-CH2 4.45Å; C149-W162 HydrophobicContact CB-CZ2 3.64Å; C149-A176 WeakPolarHBondContact CB-O 3.08Å; C149-A176 PolarHBondContact N-O 2.87Å; C149-C193 HydrophobicContact CB-CB 3.74Å; C149-C193 WeakPolarHBondContact CB-SG 3.46Å; C149-C193 WeakPolarHBondContact SG-CB 3.25Å; C149-C193 CovalentContact SG-SG 2.02Å; C149-C193 PolarHBondContact SG-SG 2.95Å |
| 150 | S | 92.7 | Very high | 81.7 | Confident | 46 Ų | 46 | 65.3 Ų | 65.3 | 32% | 0.322 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 149.3 | 176.3 | 57.1 | 0 | 0 | 0 | 0 | 112.1 | P129 K130 | P129-S150 CarbonylContact C-O 3.59Å; P129-S150 VanDerWaalsContact CA-O 3.25Å; P129-S150 WeakPolarHBondContact CA-O 3.26Å; K130-S150 PolarHBondContact N-O 2.97Å; K130-S150 PolarHBondContact O-N 3.28Å; K130-S150 VanDerWaalsContact O-N 3.08Å |
| 151 | V | 92.3 | Very high | 83.4 | Confident | 14 Ų | 14 | 57.1 Ų | 57.1 | 9% | 0.085 | 32% | 0.32 | C | S | . | . | trans | -84.3 | 157.5 | 157.3 | -74.1 | 0 | 0 | 0 | 0 | 109.9 | L126 P129 E153 V158 Y160 A195 | L126-V151 HydrophobicContact CB-CG1 4.45Å; L126-V151 HydrophobicContact CD2-CG1 4.49Å; P129-V151 HydrophobicContact CB-CG1 4.07Å; V151-E153 WeakPolarHBondContact CG2-O 3.39Å; V151-V158 HydrophobicContact CG2-CG2 4.39Å; V151-Y160 PolarHBondContact N-OH 3.27Å; V151-A195 HydrophobicContact CG1-CB 4.25Å | ||
| 152 | E | 78.4 | Confident | 84.8 | Confident | 131 Ų | 131 | 54.1 Ų | 54.1 | 61% | 0.612 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -72.3 | -32.7 | -173.1 | -62.2 | -170.7 | 112.8 | 0 | 0 | 114.1 | K130 | K130-E152 HydrophobicContact CD-CG 4.14Å; K130-E152 VanDerWaalsContact CE-OE1 3.23Å; K130-E152 WeakPolarHBondContact CE-OE1 3.41Å; K130-E152 IonicContact NZ-OE1 2.75Å; K130-E152 PolarHBondContact NZ-OE1 2.9Å |
| 153 | E | 71.3 | Confident | 85.8 | Confident | 132 Ų | 132 | 56.1 Ų | 56.1 | 62% | 0.617 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -97 | 145.9 | 174.1 | -62.4 | 176.7 | 142.1 | 0 | 0 | 108.6 | V151 G155 | V151-E153 WeakPolarHBondContact CG2-O 3.39Å; E153-G155 VanDerWaalsContact C-N 3.25Å; E153-G155 PolarHBondContact O-N 3.31Å |
| 154 | E | 62.4 | Low | 86.4 | Confident | 193 Ų | 193 | 55.7 Ų | 55.7 | 90% | 0.902 | 29% | 0.292 | S | S | * | . | trans | -67.4 | 85.8 | 174.3 | -70.9 | -170 | 150.6 | 0 | 0 | 110.1 | D156 | E154-D156 PolarHBondContact O-N 2.59Š| ||
| 155 | G | 63.1 | Low | 86.7 | Confident | 28 Ų | 28 | 54.6 Ų | 54.6 | 29% | 0.289 | 28% | 0.283 | S | S | . | . | trans | -69.6 | 118.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E153 N157 V158 | E153-G155 VanDerWaalsContact C-N 3.25Å; E153-G155 PolarHBondContact O-N 3.31Å; G155-N157 PolarHBondContact O-N 2.87Å; G155-V158 WeakPolarHBondContact O-CG2 3.46Å; G155-V158 PolarHBondContact O-N 3.45Å | ||
| 156 | D | 69.4 | Low | 86.8 | Confident | 83 Ų | 83 | 55.7 Ų | 55.7 | 44% | 0.444 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | 125.6 | 171.1 | -60 | -76.6 | 0 | 0 | 0 | 110.5 | K95 Y123 E154 V158 | K95-D156 IonicContact NZ-OD2 2.74Å; K95-D156 PolarHBondContact NZ-OD2 3.28Å; Y123-D156 HydrophobicContact CD1-CB 3.95Å; Y123-D156 WeakPolarHBondContact CD1-O 3.23Å; Y123-D156 HydrophobicContact CE1-CB 3.86Å; Y123-D156 VanDerWaalsContact CE1-O 3.28Å; Y123-D156 WeakPolarHBondContact CE1-O 3.34Å; E154-D156 PolarHBondContact O-N 2.59Å; D156-V158 PolarHBondContact O-N 2.75Å |
| 157 | N | 85.4 | Confident | 85.9 | Confident | 103 Ų | 103 | 58.7 Ų | 58.7 | 55% | 0.551 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 45.2 | 176.3 | -161.8 | 13.8 | 0 | 0 | 0 | 115 | Y123 G155 | Y123-N157 HydrophobicContact CE1-CB 3.77Å; Y123-N157 PolarHBondContact OH-ND2 3.07Å; G155-N157 PolarHBondContact O-N 2.87Å |
| 158 | V | 91.2 | Very high | 84.9 | Confident | 27 Ų | 27 | 61.5 Ų | 61.5 | 16% | 0.164 | 34% | 0.34 | C | S | . | . | trans | -84.3 | 126.1 | 172.5 | 178.2 | 0 | 0 | 0 | 0 | 111.7 | L126 V151 G155 D156 Y160 A195 N197 | L126-V158 HydrophobicContact CD1-CG1 4.24Å; L126-V158 HydrophobicContact CD1-CG2 4.13Å; L126-V158 HydrophobicContact CD2-CG2 3.54Å; L126-V158 HydrophobicContact CG-CG2 4.48Å; V151-V158 HydrophobicContact CG2-CG2 4.39Å; G155-V158 WeakPolarHBondContact O-CG2 3.46Å; G155-V158 PolarHBondContact O-N 3.45Å; D156-V158 PolarHBondContact O-N 2.75Å; V158-Y160 HydrophobicContact CB-CE2 4.23Å; V158-Y160 HydrophobicContact CG1-CD1 4.37Å; V158-Y160 HydrophobicContact CG1-CD2 4.08Å; V158-Y160 HydrophobicContact CG1-CE1 3.93Å; V158-Y160 HydrophobicContact CG1-CE2 3.61Å; V158-Y160 HydrophobicContact CG1-CG 4.45Å; V158-A195 HydrophobicContact CG1-CB 4.12Å; V158-N197 HydrophobicContact CG2-CB 4.31Å | ||
| 159 | T | 94.6 | Very high | 83.8 | Confident | 79 Ų | 79 | 64 Ų | 64 | 49% | 0.485 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 143.3 | 168.1 | 57.9 | 0 | 0 | 0 | 0 | 110.2 | A195 R196 | T159-A195 CarbonylContact O-C 3.58Å; T159-A195 WeakPolarHBondContact O-CA 3.31Å; T159-R196 PolarHBondContact N-O 3Å; T159-R196 PolarHBondContact O-N 3.37Å; T159-R196 PolarHBondContact OG1-O 2.96Å |
| 160 | Y | 95.5 | Very high | 83.4 | Confident | 49 Ų | 49 | 69.5 Ų | 69.5 | 19% | 0.192 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 148.8 | -178.9 | -64.1 | -87.4 | 0 | 0 | 0 | 110.6 | C149 V151 V158 G175 A176 A195 | C149-Y160 HydrophobicContact CB-CD1 4.17Å; V151-Y160 PolarHBondContact N-OH 3.27Å; V158-Y160 HydrophobicContact CB-CE2 4.23Å; V158-Y160 HydrophobicContact CG1-CD1 4.37Å; V158-Y160 HydrophobicContact CG1-CD2 4.08Å; V158-Y160 HydrophobicContact CG1-CE1 3.93Å; V158-Y160 HydrophobicContact CG1-CE2 3.61Å; V158-Y160 HydrophobicContact CG1-CG 4.45Å; Y160-G175 CarbonylContact C-O 3.53Å; Y160-G175 WeakPolarHBondContact O-CA 3.39Å; Y160-G175 PolarHBondContact O-N 2.82Å; Y160-A176 HydrophobicContact CD2-CB 3.85Å; Y160-A176 HydrophobicContact CE2-CB 4.44Å; Y160-A176 HydrophobicContact CG-CB 3.95Å; Y160-A195 HydrophobicContact CD1-CB 3.92Å; Y160-A195 HydrophobicContact CE1-CB 3.91Å |
| 161 | S | 96.3 | Very high | 83.1 | Confident | 2 Ų | 2 | 71.1 Ų | 71.1 | 1% | 0.014 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 154 | 175.1 | 53.9 | 0 | 0 | 0 | 0 | 110 | H173 M194 R196 | S161-H173 CarbonylContact C-O 3.58Å; S161-H173 VanDerWaalsContact CA-O 3.28Å; S161-H173 WeakPolarHBondContact CA-O 3.4Å; S161-M194 PolarHBondContact N-O 2.89Å; S161-M194 PolarHBondContact O-N 2.82Å; S161-M194 PolarHBondContact OG-O 2.87Å; S161-R196 PolarHBondContact OG-NH1 3.17Å |
| 162 | W | 96.5 | Very high | 83.2 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 135.3 | -176.8 | -73.7 | 90.2 | 0 | 0 | 0 | 111 | V131 L147 C149 L172 H173 A176 L178 L191 C193 | V131-W162 HydrophobicContact CB-CH2 4.25Å; V131-W162 HydrophobicContact CG1-CH2 3.74Å; V131-W162 HydrophobicContact CG2-CH2 3.52Å; V131-W162 HydrophobicContact CG2-CZ2 4.44Å; V131-W162 HydrophobicContact CG2-CZ3 4.01Å; L147-W162 HydrophobicContact CB-CH2 3.53Å; L147-W162 HydrophobicContact CB-CZ2 3.69Å; L147-W162 HydrophobicContact CB-CZ3 4.39Å; L147-W162 HydrophobicContact CD1-CH2 3.93Å; L147-W162 HydrophobicContact CD1-CZ3 4.03Å; L147-W162 HydrophobicContact CG-CH2 4.38Å; C149-W162 HydrophobicContact CB-CH2 4.45Å; C149-W162 HydrophobicContact CB-CZ2 3.64Å; W162-L172 WeakPolarHBondContact O-CA 3.48Å; W162-H173 HydrophobicContact CB-CB 4.37Å; W162-H173 PolarHBondContact N-O 3.05Å; W162-H173 PolarHBondContact O-N 2.96Å; W162-A176 PolarHBondContact NE1-O 3.23Å; W162-L178 HydrophobicContact CB-CB 4.46Å; W162-L178 HydrophobicContact CB-CD1 4.38Å; W162-L178 HydrophobicContact CB-CD2 4.1Å; W162-L178 HydrophobicContact CD2-CB 3.76Å; W162-L178 HydrophobicContact CD2-CD2 3.9Å; W162-L178 HydrophobicContact CD2-CG 4.42Å; W162-L178 HydrophobicContact CE3-CB 4.41Å; W162-L178 HydrophobicContact CE3-CD2 3.84Å; W162-L178 HydrophobicContact CG-CB 3.79Å; W162-L178 HydrophobicContact CG-CD2 4.06Å; W162-L178 HydrophobicContact CG-CG 4.36Å; W162-L178 HydrophobicContact CZ2-CB 4.24Å; W162-L178 HydrophobicContact CZ3-CD2 4.46Å; W162-L191 HydrophobicContact CZ3-CB 4.34Å; W162-C193 HydrophobicContact CD2-CB 4Å; W162-C193 HydrophobicContact CE3-CB 3.9Å; W162-C193 HydrophobicContact CH2-CB 4.05Å; W162-C193 HydrophobicContact CZ2-CB 4.13Å; W162-C193 HydrophobicContact CZ3-CB 3.92Å |
| 163 | K | 94.7 | Very high | 83.9 | Confident | 67 Ų | 67 | 73.5 Ų | 73.5 | 29% | 0.291 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 117 | 170.8 | -176.9 | -177.8 | 180 | -173 | 0 | 109 | I165 E171 I192 M194 | K163-I165 HydrophobicContact CD-CD1 4.06Å; K163-I165 HydrophobicContact CD-CG1 4.16Å; K163-I165 HydrophobicContact CG-CD1 4.38Å; K163-I165 HydrophobicContact CG-CG1 3.97Å; K163-E171 WeakPolarHBondContact CA-O 3.41Å; K163-I192 PolarHBondContact N-O 2.8Å; K163-I192 PolarHBondContact O-N 3.24Å; K163-M194 HydrophobicContact CB-CE 3.69Å; K163-M194 HydrophobicContact CB-SD 4.43Å |
| 164 | A | 92.2 | Very high | 85 | Confident | 3 Ų | 3 | 73.6 Ų | 73.6 | 3% | 0.025 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 130.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | E171 T190 L191 | A164-E171 HydrophobicContact CB-CB 4.23Å; A164-E171 PolarHBondContact N-O 3.47Å; A164-E171 PolarHBondContact O-N 2.93Å; A164-E171 VanDerWaalsContact O-N 3.09Å; A164-T190 WeakPolarHBondContact CA-O 3.16Å; A164-L191 HydrophobicContact CB-CD2 3.51Å |
| 165 | I | 91.4 | Very high | 86.5 | Confident | 48 Ų | 48 | 66 Ų | 66 | 25% | 0.246 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 114.6 | -175.8 | -52.7 | -179.5 | 0 | 0 | 0 | 107.8 | K163 K189 T190 I192 | K163-I165 HydrophobicContact CD-CD1 4.06Å; K163-I165 HydrophobicContact CD-CG1 4.16Å; K163-I165 HydrophobicContact CG-CD1 4.38Å; K163-I165 HydrophobicContact CG-CG1 3.97Å; I165-K189 WeakPolarHBondContact O-CA 3.47Å; I165-T190 PolarHBondContact N-O 2.99Å; I165-T190 PolarHBondContact O-N 2.81Å; I165-I192 HydrophobicContact CD1-CD1 3.97Å |
| 166 | G | 85.4 | Confident | 88 | Confident | 30 Ų | 30 | 66.1 Ų | 66.1 | 31% | 0.309 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -128.9 | -158.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | G168 | G166-G168 PolarHBondContact O-N 3.1Š|
| 167 | Q | 70.3 | Confident | 89.1 | Confident | 157 Ų | 157 | 66.9 Ų | 66.9 | 73% | 0.734 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -79.2 | 10 | 174.4 | -65 | -172 | -10.1 | 0 | 0 | 114.3 | K187 | Q167-K187 HydrophobicContact CB-CD 4.38Å; Q167-K187 HydrophobicContact CG-CD 4.44Å; Q167-K187 VanDerWaalsContact OE1-CD 3.32Å; Q167-K187 VanDerWaalsContact OE1-CE 3.25Å |
| 168 | G | 71.2 | Confident | 89.5 | Confident | 60 Ų | 60 | 62.4 Ų | 62.4 | 62% | 0.619 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -117.1 | -157.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | G166 | G166-G168 PolarHBondContact O-N 3.1Š|
| 169 | A | 72.6 | Confident | 89.4 | Confident | 90 Ų | 90 | 65.7 Ų | 65.7 | 74% | 0.744 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -61 | 153 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111 | E171 | A169-E171 PolarHBondContact O-N 2.92Š|
| 170 | H | 83.7 | Confident | 89.1 | Confident | 118 Ų | 118 | 62.8 Ų | 62.8 | 55% | 0.546 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -69 | 126.6 | 170.7 | -59.1 | 134.5 | 0 | 0 | 0 | 109.7 | ||
| 171 | E | 88.3 | Confident | 88.5 | Confident | 80 Ų | 80 | 63.6 Ų | 63.6 | 37% | 0.374 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 132.7 | 171.9 | -58.8 | 154.8 | 169.3 | 0 | 0 | 107.9 | K163 A164 A169 K189 | K163-E171 WeakPolarHBondContact CA-O 3.41Å; A164-E171 HydrophobicContact CB-CB 4.23Å; A164-E171 PolarHBondContact N-O 3.47Å; A164-E171 PolarHBondContact O-N 2.93Å; A164-E171 VanDerWaalsContact O-N 3.09Å; A169-E171 PolarHBondContact O-N 2.92Å; E171-K189 IonicContact OE1-NZ 2.79Å; E171-K189 PolarHBondContact OE1-NZ 2.87Å; E171-K189 IonicContact OE2-NZ 3.99Å; E171-K189 PolarHBondContact OE2-NZ 2.92Å |
| 172 | L | 93.1 | Very high | 87.8 | Confident | 110 Ų | 110 | 65 Ų | 65 | 58% | 0.576 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 132.9 | 175.4 | -173.7 | 76 | 0 | 0 | 0 | 108.5 | W162 M194 | W162-L172 WeakPolarHBondContact O-CA 3.48Å; L172-M194 HydrophobicContact CD1-CE 3.69Å |
| 173 | H | 93.6 | Very high | 87.1 | Confident | 85 Ų | 85 | 69.9 Ų | 69.9 | 39% | 0.394 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 133.3 | 175.5 | -57.2 | -85.1 | 0 | 0 | 0 | 109.8 | S161 W162 L178 | S161-H173 CarbonylContact C-O 3.58Å; S161-H173 VanDerWaalsContact CA-O 3.28Å; S161-H173 WeakPolarHBondContact CA-O 3.4Å; W162-H173 HydrophobicContact CB-CB 4.37Å; W162-H173 PolarHBondContact N-O 3.05Å; W162-H173 PolarHBondContact O-N 2.96Å; H173-L178 HydrophobicContact CB-CD1 4.02Å |
| 174 | D | 94.8 | Very high | 86.3 | Confident | 133 Ų | 133 | 74 Ų | 74 | 71% | 0.711 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 149.5 | 177.7 | -62.8 | -49.7 | 0 | 0 | 0 | 111.7 | ||
| 175 | G | 93.8 | Very high | 85.4 | Confident | 34 Ų | 34 | 77.5 Ų | 77.5 | 35% | 0.351 | 46% | 0.464 | S | S | . | . | S | Bend | trans | 103.1 | 169.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | Y160 | Y160-G175 CarbonylContact C-O 3.53Å; Y160-G175 WeakPolarHBondContact O-CA 3.39Å; Y160-G175 PolarHBondContact O-N 2.82Å |
| 176 | A | 93.8 | Very high | 84.9 | Confident | 30 Ų | 30 | 79.2 Ų | 79.2 | 25% | 0.248 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -78.1 | -25.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | C149 Y160 W162 | C149-A176 WeakPolarHBondContact CB-O 3.08Å; C149-A176 PolarHBondContact N-O 2.87Å; Y160-A176 HydrophobicContact CD2-CB 3.85Å; Y160-A176 HydrophobicContact CE2-CB 4.44Å; Y160-A176 HydrophobicContact CG-CB 3.95Å; W162-A176 PolarHBondContact NE1-O 3.23Å |
| 177 | I | 93.9 | Very high | 84.7 | Confident | 100 Ų | 100 | 84.5 Ų | 84.5 | 51% | 0.513 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 122.7 | -171.4 | -55.8 | 175.2 | 0 | 0 | 0 | 110.3 | K146 L147 | K146-I177 HydrophobicContact CB-CG2 4.21Å; L147-I177 CarbonylContact O-C 3.55Å; L147-I177 VanDerWaalsContact O-CA 3.3Å; L147-I177 WeakPolarHBondContact O-CA 3.28Å |
| 178 | L | 92.6 | Very high | 85.4 | Confident | 9 Ų | 9 | 79.2 Ų | 79.2 | 5% | 0.047 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 108.6 | 172.5 | -178.5 | 68.5 | 0 | 0 | 0 | 110.2 | L147 W162 H173 I180 L191 | L147-L178 HydrophobicContact CB-CB 4.45Å; L147-L178 PolarHBondContact N-O 3.16Å; L147-L178 PolarHBondContact O-N 3.22Å; W162-L178 HydrophobicContact CB-CB 4.46Å; W162-L178 HydrophobicContact CB-CD1 4.38Å; W162-L178 HydrophobicContact CB-CD2 4.1Å; W162-L178 HydrophobicContact CD2-CB 3.76Å; W162-L178 HydrophobicContact CD2-CD2 3.9Å; W162-L178 HydrophobicContact CD2-CG 4.42Å; W162-L178 HydrophobicContact CE3-CB 4.41Å; W162-L178 HydrophobicContact CE3-CD2 3.84Å; W162-L178 HydrophobicContact CG-CB 3.79Å; W162-L178 HydrophobicContact CG-CD2 4.06Å; W162-L178 HydrophobicContact CG-CG 4.36Å; W162-L178 HydrophobicContact CZ2-CB 4.24Å; W162-L178 HydrophobicContact CZ3-CD2 4.46Å; H173-L178 HydrophobicContact CB-CD1 4.02Å; L178-I180 HydrophobicContact CD2-CG2 3.91Å; L178-I180 HydrophobicContact CG-CG2 3.92Å; L178-I180 PolarHBondContact O-N 2.91Å; L178-L191 HydrophobicContact CD2-CD1 4.36Å; L178-L191 HydrophobicContact CD2-CD2 4.19Å |
| 179 | P | 89.5 | Confident | 86.3 | Confident | 95 Ų | 95 | 80.1 Ų | 80.1 | 62% | 0.617 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 125.9 | 168.2 | 30 | -31.9 | 0 | 0 | 0 | 109.5 | ||
| 180 | I | 87.4 | Confident | 87.2 | Confident | 19 Ų | 19 | 77.7 Ų | 77.7 | 10% | 0.097 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 148.8 | 174 | 68 | 161.6 | 0 | 0 | 0 | 111 | T144 T145 L147 L178 L191 L212 | T144-I180 VanDerWaalsContact CA-O 3.32Å; T144-I180 WeakPolarHBondContact CA-O 3.37Å; T144-I180 WeakPolarHBondContact CG2-O 3.37Å; T145-I180 HydrophobicContact CG2-CD1 3.76Å; T145-I180 HydrophobicContact CG2-CG1 3.61Å; T145-I180 PolarHBondContact N-O 2.94Å; T145-I180 VanDerWaalsContact N-O 3.1Å; T145-I180 PolarHBondContact O-N 3.46Å; T145-I180 VanDerWaalsContact O-O 3.09Å; L147-I180 HydrophobicContact CD1-CG2 4.33Å; L178-I180 HydrophobicContact CD2-CG2 3.91Å; L178-I180 HydrophobicContact CG-CG2 3.92Å; L178-I180 PolarHBondContact O-N 2.91Å; I180-L191 HydrophobicContact CD1-CD1 4.36Å; I180-L191 HydrophobicContact CG2-CD1 3.86Å; I180-L212 HydrophobicContact CD1-CB 4.4Å; I180-L212 HydrophobicContact CD1-CD1 3.69Å |
| 181 | S | 83.7 | Confident | 87.7 | Confident | 66 Ų | 66 | 72.2 Ų | 72.2 | 46% | 0.462 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 136.1 | 162.3 | -164.1 | 0 | 0 | 0 | 0 | 108.2 | S142 C143 T144 | S142-S181 PolarHBondContact OG-OG 3.39Å; C143-S181 CarbonylContact O-C 3.49Å; C143-S181 VanDerWaalsContact O-CA 3.24Å; C143-S181 WeakPolarHBondContact O-CA 3.39Å; C143-S181 PolarHBondContact O-OG 3.03Å; C143-S181 VanDerWaalsContact O-OG 3.13Å; T144-S181 PolarHBondContact OG1-OG 3.32Å |
| 182 | W | 82.4 | Confident | 88.1 | Confident | 30 Ų | 30 | 70 Ų | 70 | 11% | 0.114 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 139.1 | -178.4 | -176.2 | 80.6 | 0 | 0 | 0 | 109.9 | C143 L184 E186 A209 R210 C213 | C143-W182 PolarHBondContact N-O 3.47Å; C143-W182 PolarHBondContact O-N 3.29Å; W182-L184 HydrophobicContact CH2-CD1 3.99Å; W182-L184 HydrophobicContact CZ3-CD1 4.48Å; W182-E186 WeakPolarHBondContact CA-OE2 2.76Å; W182-A209 HydrophobicContact CG-CB 4.45Å; W182-R210 HydrophobicContact CH2-CB 4.32Å; W182-R210 HydrophobicContact CH2-CG 3.88Å; W182-R210 HydrophobicContact CZ2-CB 4.12Å; W182-R210 HydrophobicContact CZ2-CG 4.11Å; W182-R210 HydrophobicContact CZ3-CG 4.41Å; W182-C213 HydrophobicContact CE3-CB 4.17Å |
| 183 | K | 81.6 | Confident | 88.2 | Confident | 103 Ų | 103 | 64.8 Ų | 64.8 | 45% | 0.448 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 146.2 | 177.3 | -63 | 169.4 | -165.8 | 143.7 | 0 | 111.1 | S142 G185 E186 | S142-K183 VanDerWaalsContact OG-CE 3.3Å; S142-K183 WeakPolarHBondContact OG-CE 3.31Å; S142-K183 VanDerWaalsContact OG-CG 3.31Å; S142-K183 WeakPolarHBondContact OG-CG 3.5Å; K183-G185 PolarHBondContact O-N 2.77Å; K183-G185 VanDerWaalsContact O-N 3.1Å; K183-E186 HydrophobicContact CB-CG 4.06Å; K183-E186 PolarHBondContact N-OE2 2.99Å; K183-E186 IonicContact NZ-OE1 2.63Å; K183-E186 WeakPolarHBondContact O-CB 3.45Å; K183-E186 PolarHBondContact O-N 2.87Å |
| 184 | L | 76.4 | Confident | 88.3 | Confident | 154 Ų | 154 | 62 Ų | 62 | 81% | 0.806 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 116.9 | 175.8 | -173.5 | 63.9 | 0 | 0 | 0 | 110.4 | W182 | W182-L184 HydrophobicContact CH2-CD1 3.99Å; W182-L184 HydrophobicContact CZ3-CD1 4.48Å |
| 185 | G | 74.6 | Confident | 88.4 | Confident | 76 Ų | 76 | 55.6 Ų | 55.6 | 78% | 0.784 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 104.5 | -8.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | K183 | K183-G185 PolarHBondContact O-N 2.77Å; K183-G185 VanDerWaalsContact O-N 3.1Å |
| 186 | E | 79.8 | Confident | 88.4 | Confident | 84 Ų | 84 | 58.5 Ų | 58.5 | 39% | 0.393 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -71 | 152.6 | 168.4 | -72.4 | 175 | 170 | 0 | 0 | 111.4 | W182 K183 | W182-E186 WeakPolarHBondContact CA-OE2 2.76Å; K183-E186 HydrophobicContact CB-CG 4.06Å; K183-E186 PolarHBondContact N-OE2 2.99Å; K183-E186 IonicContact NZ-OE1 2.63Å; K183-E186 WeakPolarHBondContact O-CB 3.45Å; K183-E186 PolarHBondContact O-N 2.87Å |
| 187 | K | 82.1 | Confident | 88.4 | Confident | 141 Ų | 141 | 58 Ų | 58 | 61% | 0.613 | 31% | 0.308 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 142.6 | 178.7 | -66.7 | 178.2 | 172.3 | -165.8 | 0 | 110.4 | Q167 | Q167-K187 HydrophobicContact CB-CD 4.38Å; Q167-K187 HydrophobicContact CG-CD 4.44Å; Q167-K187 VanDerWaalsContact OE1-CD 3.32Å; Q167-K187 VanDerWaalsContact OE1-CE 3.25Å |
| 188 | E | 85.6 | Confident | 88.3 | Confident | 47 Ų | 47 | 56.2 Ų | 56.2 | 22% | 0.22 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 138.7 | -178.8 | -160.1 | 59.3 | -123.8 | 0 | 0 | 112.1 | L208 A209 R210 | E188-L208 HydrophobicContact CG-CD2 4.14Å; E188-A209 PolarHBondContact OE1-N 3.46Å; E188-R210 WeakPolarHBondContact OE1-CB 3.3Å; E188-R210 PolarHBondContact OE1-N 2.98Å; E188-R210 WeakPolarHBondContact OE2-CB 2.99Å; E188-R210 IonicContact OE2-CZ 3.18Å; E188-R210 IonicContact OE2-NE 2.84Å; E188-R210 PolarHBondContact OE2-NE 2.95Å; E188-R210 IonicContact OE2-NH2 2.71Å; E188-R210 PolarHBondContact OE2-NH2 2.86Å |
| 189 | K | 88.9 | Confident | 88.3 | Confident | 78 Ų | 78 | 58.5 Ų | 58.5 | 34% | 0.339 | 32% | 0.315 | S | S | . | . | trans | -120 | 128.4 | 170.7 | -72.4 | -170 | 172.5 | -169.9 | 0 | 109.3 | I165 E171 L191 A209 | I165-K189 WeakPolarHBondContact O-CA 3.47Å; E171-K189 IonicContact OE1-NZ 2.79Å; E171-K189 PolarHBondContact OE1-NZ 2.87Å; E171-K189 IonicContact OE2-NZ 3.99Å; E171-K189 PolarHBondContact OE2-NZ 2.92Å; K189-L191 HydrophobicContact CB-CD2 4.34Å; K189-A209 HydrophobicContact CB-CB 4.17Å; K189-A209 WeakPolarHBondContact O-CB 3.35Å; K189-A209 PolarHBondContact O-N 3.04Å | ||
| 190 | T | 92.6 | Very high | 88.5 | Confident | 39 Ų | 39 | 54.9 Ų | 54.9 | 24% | 0.239 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 127 | 169.9 | -57.1 | 0 | 0 | 0 | 0 | 109 | A164 I165 I192 P206 V207 | A164-T190 WeakPolarHBondContact CA-O 3.16Å; I165-T190 PolarHBondContact N-O 2.99Å; I165-T190 PolarHBondContact O-N 2.81Å; T190-I192 HydrophobicContact CG2-CG1 4.44Å; T190-P206 HydrophobicContact CG2-CB 3.55Å; T190-V207 CarbonylContact C-O 3.54Å; T190-V207 WeakPolarHBondContact CA-O 3.29Å |
| 191 | L | 93.6 | Very high | 88.8 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 129.8 | -174.6 | -52.2 | 176.2 | 0 | 0 | 0 | 109 | L147 W162 A164 L178 I180 K189 V207 L212 | L147-L191 HydrophobicContact CD1-CD1 3.54Å; W162-L191 HydrophobicContact CZ3-CB 4.34Å; A164-L191 HydrophobicContact CB-CD2 3.51Å; L178-L191 HydrophobicContact CD2-CD1 4.36Å; L178-L191 HydrophobicContact CD2-CD2 4.19Å; I180-L191 HydrophobicContact CD1-CD1 4.36Å; I180-L191 HydrophobicContact CG2-CD1 3.86Å; K189-L191 HydrophobicContact CB-CD2 4.34Å; L191-V207 PolarHBondContact N-O 2.92Å; L191-V207 PolarHBondContact O-N 3.08Å; L191-L212 HydrophobicContact CD1-CD1 4.25Å |
| 192 | I | 96 | Very high | 89.3 | Confident | 33 Ų | 33 | 58.7 Ų | 58.7 | 17% | 0.169 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 120.9 | 179.8 | -55.1 | 175.3 | 0 | 0 | 0 | 108 | K163 I165 T190 P206 | K163-I192 PolarHBondContact N-O 2.8Å; K163-I192 PolarHBondContact O-N 3.24Å; I165-I192 HydrophobicContact CD1-CD1 3.97Å; T190-I192 HydrophobicContact CG2-CG1 4.44Å; I192-P206 HydrophobicContact CD1-CB 4.47Å; I192-P206 HydrophobicContact CD1-CG 4.45Å; I192-P206 HydrophobicContact CG1-CB 4.13Å; I192-P206 HydrophobicContact CG1-CG 4.48Å |
| 193 | C | 96.4 | Very high | 90 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 143.7 | 167.2 | 179 | 0 | 0 | 0 | 0 | 110.1 | V131 C149 W162 S203 S204 | V131-C193 HydrophobicContact CG2-CB 4.33Å; C149-C193 HydrophobicContact CB-CB 3.74Å; C149-C193 WeakPolarHBondContact CB-SG 3.46Å; C149-C193 WeakPolarHBondContact SG-CB 3.25Å; C149-C193 CovalentContact SG-SG 2.02Å; C149-C193 PolarHBondContact SG-SG 2.95Å; W162-C193 HydrophobicContact CD2-CB 4Å; W162-C193 HydrophobicContact CE3-CB 3.9Å; W162-C193 HydrophobicContact CH2-CB 4.05Å; W162-C193 HydrophobicContact CZ2-CB 4.13Å; W162-C193 HydrophobicContact CZ3-CB 3.92Å; C193-S203 CarbonylContact O-C 3.52Å; C193-S203 WeakPolarHBondContact O-CA 3.42Å; C193-S204 PolarHBondContact N-OG 3.1Å; C193-S204 PolarHBondContact O-N 2.79Å |
| 194 | M | 95.9 | Very high | 90.7 | Very high | 26 Ų | 26 | 55.4 Ų | 55.4 | 13% | 0.128 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 119.2 | 173 | -59.4 | 165.5 | -70.8 | 0 | 0 | 108.7 | S161 K163 L172 R196 S202 | S161-M194 PolarHBondContact N-O 2.89Å; S161-M194 PolarHBondContact O-N 2.82Å; S161-M194 PolarHBondContact OG-O 2.87Å; K163-M194 HydrophobicContact CB-CE 3.69Å; K163-M194 HydrophobicContact CB-SD 4.43Å; L172-M194 HydrophobicContact CD1-CE 3.69Å; M194-R196 PolarHBondContact SD-NH2 2.83Å; M194-S202 WeakPolarHBondContact CA-O 3.33Å |
| 195 | A | 95.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 139.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | L126 P129 V151 V158 T159 Y160 H201 S202 | L126-A195 HydrophobicContact CD1-CB 4.04Å; P129-A195 HydrophobicContact CB-CB 4.14Å; P129-A195 HydrophobicContact CG-CB 4.02Å; V151-A195 HydrophobicContact CG1-CB 4.25Å; V158-A195 HydrophobicContact CG1-CB 4.12Å; T159-A195 CarbonylContact O-C 3.58Å; T159-A195 WeakPolarHBondContact O-CA 3.31Å; Y160-A195 HydrophobicContact CD1-CB 3.92Å; Y160-A195 HydrophobicContact CE1-CB 3.91Å; A195-H201 WeakPolarHBondContact O-CA 3.35Å; A195-S202 PolarHBondContact N-O 2.82Å; A195-S202 PolarHBondContact O-N 3.14Å |
| 196 | R | 94.2 | Very high | 92.5 | Very high | 95 Ų | 95 | 55.2 Ų | 55.2 | 36% | 0.358 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 138.2 | -179.5 | -51.7 | -169.9 | -176.8 | 78.3 | 8.3 | 111.7 | T159 S161 M194 S200 H201 | T159-R196 PolarHBondContact N-O 3Å; T159-R196 PolarHBondContact O-N 3.37Å; T159-R196 PolarHBondContact OG1-O 2.96Å; S161-R196 PolarHBondContact OG-NH1 3.17Å; M194-R196 PolarHBondContact SD-NH2 2.83Å; R196-S200 WeakPolarHBondContact CA-O 3.36Å; R196-H201 HydrophobicContact CB-CB 4.47Å; R196-H201 HydrophobicContact CG-CB 3.82Å |
| 197 | N | 93.4 | Very high | 93.1 | Very high | 18 Ų | 18 | 52.7 Ų | 52.7 | 10% | 0.096 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 175.8 | 165.8 | 75.5 | 0.6 | 0 | 0 | 0 | 109.4 | E124 L126 V158 I199 S200 | E124-N197 PolarHBondContact O-ND2 2.71Å; L126-N197 HydrophobicContact CD1-CB 4.11Å; L126-N197 HydrophobicContact CD2-CB 4.38Å; L126-N197 HydrophobicContact CG-CB 4.31Å; V158-N197 HydrophobicContact CG2-CB 4.31Å; N197-I199 PolarHBondContact O-N 2.81Å; N197-I199 VanDerWaalsContact OD1-CG1 3.27Å; N197-I199 WeakPolarHBondContact OD1-CG1 3.44Å; N197-I199 PolarHBondContact OD1-N 2.68Å; N197-S200 PolarHBondContact N-O 3.27Å; N197-S200 PolarHBondContact O-N 3.45Å; N197-S200 VanDerWaalsContact O-O 3.1Å; N197-S200 PolarHBondContact OD1-N 3.15Å; N197-S200 PolarHBondContact OD1-O 2.89Å; N197-S200 PolarHBondContact OD1-OG 2.9Å |
| 198 | P | 93.1 | Very high | 93.4 | Very high | 63 Ų | 63 | 49 Ų | 49 | 41% | 0.409 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -9.6 | -174.1 | -30 | 39.5 | 0 | 0 | 0 | 117.1 | V30 Y123 | V30-P198 HydrophobicContact CG1-CB 3.75Å; V30-P198 HydrophobicContact CG2-CB 4.2Å; Y123-P198 HydrophobicContact CD2-CB 4.25Å; Y123-P198 HydrophobicContact CD2-CG 4.36Å; Y123-P198 HydrophobicContact CE1-CG 4.37Å; Y123-P198 HydrophobicContact CE2-CB 3.92Å; Y123-P198 HydrophobicContact CE2-CG 3.75Å |
| 199 | I | 92.4 | Very high | 93.5 | Very high | 57 Ų | 57 | 47.1 Ų | 47.1 | 29% | 0.292 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | -17.9 | 177.6 | 62.9 | 168.2 | 0 | 0 | 0 | 114.7 | V30 A32 Y123 N197 | V30-I199 HydrophobicContact CG1-CG2 3.37Å; A32-I199 HydrophobicContact CB-CD1 3.61Å; Y123-I199 WeakPolarHBondContact O-CD1 3.47Å; N197-I199 PolarHBondContact O-N 2.81Å; N197-I199 VanDerWaalsContact OD1-CG1 3.27Å; N197-I199 WeakPolarHBondContact OD1-CG1 3.44Å; N197-I199 PolarHBondContact OD1-N 2.68Å |
| 200 | S | 93 | Very high | 93.1 | Very high | 20 Ų | 20 | 48.7 Ų | 48.7 | 14% | 0.14 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 154.4 | -166.1 | 68.1 | 0 | 0 | 0 | 0 | 113.2 | L126 R196 N197 | L126-S200 PolarHBondContact N-OG 2.81Å; R196-S200 WeakPolarHBondContact CA-O 3.36Å; N197-S200 PolarHBondContact N-O 3.27Å; N197-S200 PolarHBondContact O-N 3.45Å; N197-S200 VanDerWaalsContact O-O 3.1Å; N197-S200 PolarHBondContact OD1-N 3.15Å; N197-S200 PolarHBondContact OD1-O 2.89Å; N197-S200 PolarHBondContact OD1-OG 2.9Å |
| 201 | H | 93.8 | Very high | 92.6 | Very high | 146 Ų | 146 | 51 Ų | 51 | 68% | 0.676 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 147.5 | 167.9 | 68.9 | -78.4 | 0 | 0 | 0 | 109.3 | A195 R196 | A195-H201 WeakPolarHBondContact O-CA 3.35Å; R196-H201 HydrophobicContact CB-CB 4.47Å; R196-H201 HydrophobicContact CG-CB 3.82Å |
| 202 | S | 94.8 | Very high | 91.9 | Very high | 19 Ų | 19 | 52.2 Ų | 52.2 | 13% | 0.133 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 164.9 | -178.5 | -173.3 | 0 | 0 | 0 | 0 | 109.4 | S127 A128 P129 M194 A195 | S127-S202 VanDerWaalsContact O-CB 3.26Å; S127-S202 WeakPolarHBondContact O-CB 3.48Å; S127-S202 PolarHBondContact O-OG 2.8Å; A128-S202 WeakPolarHBondContact CA-OG 3.33Å; P129-S202 VanDerWaalsContact CD-OG 3.23Å; P129-S202 WeakPolarHBondContact CD-OG 3.25Å; M194-S202 WeakPolarHBondContact CA-O 3.33Å; A195-S202 PolarHBondContact N-O 2.82Å; A195-S202 PolarHBondContact O-N 3.14Å |
| 203 | S | 96.1 | Very high | 90.8 | Very high | 53 Ų | 53 | 51.1 Ų | 51.1 | 37% | 0.371 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 147.1 | -178.6 | -62.1 | 0 | 0 | 0 | 0 | 111.8 | C193 | C193-S203 CarbonylContact O-C 3.52Å; C193-S203 WeakPolarHBondContact O-CA 3.42Å |
| 204 | S | 96.2 | Very high | 89.2 | Confident | 11 Ų | 11 | 56.1 Ų | 56.1 | 8% | 0.077 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 163.4 | 178.2 | 72.2 | 0 | 0 | 0 | 0 | 110.9 | P129 C193 | P129-S204 WeakPolarHBondContact O-CA 3.34Å; P129-S204 VanDerWaalsContact O-CB 3.28Å; P129-S204 WeakPolarHBondContact O-CB 3.26Å; C193-S204 PolarHBondContact N-OG 3.1Å; C193-S204 PolarHBondContact O-N 2.79Å |
| 205 | N | 94.5 | Very high | 87.2 | Confident | 139 Ų | 139 | 60.9 Ų | 60.9 | 74% | 0.743 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 147.5 | 158.2 | -70.6 | -40.7 | 0 | 0 | 0 | 109.6 | ||
| 206 | P | 93.9 | Very high | 85 | Confident | 87 Ų | 87 | 63.4 Ų | 63.4 | 57% | 0.565 | 34% | 0.335 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 133.7 | 177.6 | -16.2 | 30.3 | 0 | 0 | 0 | 111.5 | T190 I192 | T190-P206 HydrophobicContact CG2-CB 3.55Å; I192-P206 HydrophobicContact CD1-CB 4.47Å; I192-P206 HydrophobicContact CD1-CG 4.45Å; I192-P206 HydrophobicContact CG1-CB 4.13Å; I192-P206 HydrophobicContact CG1-CG 4.48Å |
| 207 | V | 92.2 | Very high | 82.9 | Confident | 31 Ų | 31 | 61.9 Ų | 61.9 | 19% | 0.188 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 136.2 | 179.5 | -171.8 | 0 | 0 | 0 | 0 | 109.5 | V131 T190 L191 L212 | V131-V207 HydrophobicContact CB-CG2 4.28Å; V131-V207 HydrophobicContact CG1-CG2 4.3Å; V131-V207 HydrophobicContact CG2-CG2 4.29Å; T190-V207 CarbonylContact C-O 3.54Å; T190-V207 WeakPolarHBondContact CA-O 3.29Å; L191-V207 PolarHBondContact N-O 2.92Å; L191-V207 PolarHBondContact O-N 3.08Å; V207-L212 HydrophobicContact CG1-CD1 3.61Å; V207-L212 HydrophobicContact CG1-CD2 3.89Å; V207-L212 HydrophobicContact CG1-CG 3.73Å |
| 208 | L | 90.4 | Very high | 80.7 | Confident | 64 Ų | 64 | 66.2 Ų | 66.2 | 34% | 0.335 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 133.8 | 176.9 | -63.2 | 179.9 | 0 | 0 | 0 | 110.8 | E188 R210 N211 | E188-L208 HydrophobicContact CG-CD2 4.14Å; L208-R210 VanDerWaalsContact C-N 3.25Å; L208-R210 PolarHBondContact O-N 2.8Å; L208-N211 HydrophobicContact CB-CB 4.42Å; L208-N211 WeakPolarHBondContact CB-OD1 3.34Å; L208-N211 PolarHBondContact O-N 2.9Å |
| 209 | A | 86.1 | Confident | 78.7 | Confident | 6 Ų | 6 | 69.3 Ų | 69.3 | 5% | 0.05 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -34.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | W182 E188 K189 | W182-A209 HydrophobicContact CG-CB 4.45Å; E188-A209 PolarHBondContact OE1-N 3.46Å; K189-A209 HydrophobicContact CB-CB 4.17Å; K189-A209 WeakPolarHBondContact O-CB 3.35Å; K189-A209 PolarHBondContact O-N 3.04Å |
| 210 | R | 81.8 | Confident | 76.7 | Confident | 112 Ų | 112 | 72.9 Ų | 72.9 | 42% | 0.423 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -49.2 | 175.7 | -177.4 | -169.9 | -43.1 | -170 | 4.2 | 113.4 | W182 E188 L208 L212 C213 E214 | W182-R210 HydrophobicContact CH2-CB 4.32Å; W182-R210 HydrophobicContact CH2-CG 3.88Å; W182-R210 HydrophobicContact CZ2-CB 4.12Å; W182-R210 HydrophobicContact CZ2-CG 4.11Å; W182-R210 HydrophobicContact CZ3-CG 4.41Å; E188-R210 WeakPolarHBondContact OE1-CB 3.3Å; E188-R210 PolarHBondContact OE1-N 2.98Å; E188-R210 WeakPolarHBondContact OE2-CB 2.99Å; E188-R210 IonicContact OE2-CZ 3.18Å; E188-R210 IonicContact OE2-NE 2.84Å; E188-R210 PolarHBondContact OE2-NE 2.95Å; E188-R210 IonicContact OE2-NH2 2.71Å; E188-R210 PolarHBondContact OE2-NH2 2.86Å; L208-R210 VanDerWaalsContact C-N 3.25Å; L208-R210 PolarHBondContact O-N 2.8Å; R210-L212 PolarHBondContact O-N 3.49Å; R210-C213 WeakPolarHBondContact O-CA 3.22Å; R210-C213 WeakPolarHBondContact O-CB 3.36Å; R210-C213 PolarHBondContact O-N 3.09Å; R210-E214 PolarHBondContact O-N 2.82Å; R210-E214 VanDerWaalsContact O-N 3.12Å |
| 211 | N | 82.3 | Confident | 74.6 | Confident | 87 Ų | 87 | 80.5 Ų | 80.5 | 47% | 0.465 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -57.9 | -40.3 | -172.8 | -65.1 | 34.9 | 0 | 0 | 0 | 111.2 | L208 C213 E214 | L208-N211 HydrophobicContact CB-CB 4.42Å; L208-N211 WeakPolarHBondContact CB-OD1 3.34Å; L208-N211 PolarHBondContact O-N 2.9Å; N211-C213 PolarHBondContact O-N 2.85Å; N211-E214 PolarHBondContact O-N 3.34Å; N211-E214 VanDerWaalsContact O-N 3.14Å |
| 212 | L | 77.8 | Confident | 72.5 | Confident | 29 Ų | 29 | 77.2 Ų | 77.2 | 15% | 0.152 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -58.4 | -14.1 | 175.7 | -68.4 | 165.6 | 0 | 0 | 0 | 114.8 | T133 L147 I180 L191 V207 R210 | T133-L212 HydrophobicContact CG2-CD2 4.21Å; T133-L212 WeakPolarHBondContact OG1-CD2 3.39Å; L147-L212 HydrophobicContact CD1-CD1 3.75Å; L147-L212 HydrophobicContact CD2-CD1 3.75Å; L147-L212 HydrophobicContact CD2-CD2 3.74Å; L147-L212 HydrophobicContact CD2-CG 4.37Å; L147-L212 HydrophobicContact CG-CD1 4.27Å; I180-L212 HydrophobicContact CD1-CB 4.4Å; I180-L212 HydrophobicContact CD1-CD1 3.69Å; L191-L212 HydrophobicContact CD1-CD1 4.25Å; V207-L212 HydrophobicContact CG1-CD1 3.61Å; V207-L212 HydrophobicContact CG1-CD2 3.89Å; V207-L212 HydrophobicContact CG1-CG 3.73Å; R210-L212 PolarHBondContact O-N 3.49Å |
| 213 | C | 72.1 | Confident | 70.6 | Confident | 10 Ų | 10 | 78 Ų | 78 | 7% | 0.068 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -118.2 | -10.5 | -177.4 | -61.2 | 0 | 0 | 0 | 0 | 112.9 | C143 W182 R210 N211 T216 | C143-C213 HydrophobicContact CB-CB 3.48Å; C143-C213 VanDerWaalsContact CB-CB 3.48Å; C143-C213 WeakPolarHBondContact CB-SG 3.45Å; C143-C213 WeakPolarHBondContact SG-CB 3.41Å; C143-C213 CovalentContact SG-SG 2.03Å; C143-C213 PolarHBondContact SG-SG 2.8Å; W182-C213 HydrophobicContact CE3-CB 4.17Å; R210-C213 WeakPolarHBondContact O-CA 3.22Å; R210-C213 WeakPolarHBondContact O-CB 3.36Å; R210-C213 PolarHBondContact O-N 3.09Å; N211-C213 PolarHBondContact O-N 2.85Å; C213-T216 PolarHBondContact O-OG1 2.53Å |
| 214 | E | 64.4 | Low | 68.9 | Low | 105 Ų | 105 | 80.2 Ų | 80.2 | 49% | 0.491 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -82.4 | -31.2 | -175 | -163.6 | 156.3 | -171.6 | 0 | 0 | 111.7 | R210 N211 T216 A217 N218 | R210-E214 PolarHBondContact O-N 2.82Å; R210-E214 VanDerWaalsContact O-N 3.12Å; N211-E214 PolarHBondContact O-N 3.34Å; N211-E214 VanDerWaalsContact O-N 3.14Å; E214-T216 VanDerWaalsContact C-N 3.25Å; E214-T216 PolarHBondContact O-N 2.9Å; E214-A217 WeakPolarHBondContact O-CB 3.42Å; E214-A217 PolarHBondContact O-N 3.47Å; E214-A217 VanDerWaalsContact O-N 3.09Å; E214-N218 PolarHBondContact O-ND2 3.05Å |
| 215 | D | 53.1 | Low | 67.4 | Low | 126 Ų | 126 | 88.7 Ų | 88.7 | 67% | 0.674 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -59.7 | -33.1 | 173.7 | -72.1 | -36.5 | 0 | 0 | 0 | 112.7 | A217 | D215-A217 VanDerWaalsContact C-N 3.3Å; D215-A217 PolarHBondContact O-N 2.63Å |
| 216 | T | 50.5 | Low | 66 | Low | 53 Ų | 53 | 88.9 Ų | 88.9 | 33% | 0.325 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -70.2 | -25.9 | 177.5 | 65 | 0 | 0 | 0 | 0 | 113.1 | C213 E214 | C213-T216 PolarHBondContact O-OG1 2.53Å; E214-T216 VanDerWaalsContact C-N 3.25Å; E214-T216 PolarHBondContact O-N 2.9Å |
| 217 | A | 49.3 | Very low | 64.9 | Low | 63 Ų | 63 | 89.5 Ų | 89.5 | 52% | 0.521 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -75.7 | -23.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E214 D215 | E214-A217 WeakPolarHBondContact O-CB 3.42Å; E214-A217 PolarHBondContact O-N 3.47Å; E214-A217 VanDerWaalsContact O-N 3.09Å; D215-A217 VanDerWaalsContact C-N 3.3Å; D215-A217 PolarHBondContact O-N 2.63Å |
| 218 | N | 46.8 | Very low | 64.1 | Low | 109 Ų | 109 | 93.7 Ų | 93.7 | 58% | 0.583 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -74.5 | -27 | -178.5 | -74 | -62.5 | 0 | 0 | 0 | 113.1 | E214 | E214-N218 PolarHBondContact O-ND2 3.05Å |
| 219 | L | 52.1 | Low | 63.3 | Low | 128 Ų | 128 | 98.9 Ų | 98.9 | 67% | 0.67 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -70.8 | -44.6 | -179.7 | -65 | 173.9 | 0 | 0 | 0 | 112.2 | K221 S222 | L219-K221 PolarHBondContact O-N 3.38Å; L219-S222 PolarHBondContact O-N 2.75Å; L219-S222 PolarHBondContact O-OG 2.85Å |
| 220 | D | 49.8 | Very low | 62.9 | Low | 132 Ų | 132 | 102.2 Ų | 102.2 | 71% | 0.706 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.2 | -31.3 | -178.4 | -116.3 | -13.8 | 0 | 0 | 0 | 112.3 | S222 S223 | D220-S222 PolarHBondContact O-N 3.22Å; D220-S223 WeakPolarHBondContact O-CB 3.28Å; D220-S223 PolarHBondContact O-N 2.8Å |
| 221 | K | 49.8 | Very low | 63 | Low | 180 Ų | 180 | 102 Ų | 102 | 78% | 0.783 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -17.4 | 178.6 | -155.1 | 173.6 | -174.7 | 179 | 0 | 113.7 | L219 S223 | L219-K221 PolarHBondContact O-N 3.38Å; K221-S223 VanDerWaalsContact C-N 3.34Å |
| 222 | S | 48.4 | Very low | 63.1 | Low | 78 Ų | 78 | 101 Ų | 101 | 55% | 0.545 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 8 | 173.8 | 71.4 | 0 | 0 | 0 | 0 | 114.5 | L219 D220 | L219-S222 PolarHBondContact O-N 2.75Å; L219-S222 PolarHBondContact O-OG 2.85Å; D220-S222 PolarHBondContact O-N 3.22Å |
| 223 | S | 55 | Low | 63.6 | Low | 35 Ų | 35 | 104.6 Ų | 104.6 | 25% | 0.245 | 55% | 0.548 | C | S | . | . | trans | -53.9 | 122.5 | -179.9 | -171 | 0 | 0 | 0 | 0 | 111.5 | D220 K221 R225 F226 | D220-S223 WeakPolarHBondContact O-CB 3.28Å; D220-S223 PolarHBondContact O-N 2.8Å; K221-S223 VanDerWaalsContact C-N 3.34Å; S223-R225 PolarHBondContact O-N 2.81Å; S223-F226 WeakPolarHBondContact O-CB 3.49Å; S223-F226 PolarHBondContact O-N 2.99Å | ||
| 224 | P | 60.6 | Low | 64.3 | Low | 99 Ų | 99 | 106.8 Ų | 106.8 | 64% | 0.643 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63 | -19.2 | -176.2 | 24 | -34 | 0 | 0 | 0 | 112.7 | I227 L228 | P224-I227 PolarHBondContact O-N 2.65Å; P224-L228 WeakPolarHBondContact O-CB 3.49Å; P224-L228 PolarHBondContact O-N 3.07Å |
| 225 | R | 65.7 | Low | 65.6 | Low | 190 Ų | 190 | 105.9 Ų | 105.9 | 72% | 0.717 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62.4 | -40.6 | 170.5 | -64.7 | 177.2 | 178.7 | 151.1 | 0.4 | 112 | S223 L228 Y229 | S223-R225 PolarHBondContact O-N 2.81Å; R225-L228 PolarHBondContact O-N 2.8Å; R225-Y229 WeakPolarHBondContact O-CD2 3.45Å; R225-Y229 PolarHBondContact O-N 2.79Å; R225-Y229 VanDerWaalsContact O-N 3.12Å |
| 226 | F | 65 | Low | 67.5 | Low | 143 Ų | 143 | 104.2 Ų | 104.2 | 63% | 0.627 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -67.4 | -40.1 | 179.7 | -119.6 | -79.7 | 0 | 0 | 0 | 111.5 | S223 Y229 T230 | S223-F226 WeakPolarHBondContact O-CB 3.49Å; S223-F226 PolarHBondContact O-N 2.99Å; F226-Y229 PolarHBondContact O-N 2.79Å; F226-T230 HydrophobicContact CD1-CG2 4.12Å; F226-T230 WeakPolarHBondContact O-CB 3.48Å; F226-T230 WeakPolarHBondContact O-CG2 3.47Å; F226-T230 PolarHBondContact O-N 2.86Å; F226-T230 PolarHBondContact O-OG1 2.79Å |
| 227 | I | 70 | Confident | 69.4 | Low | 100 Ų | 100 | 108.2 Ų | 108.2 | 51% | 0.513 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.4 | -45.2 | 174.1 | -56.6 | 176.4 | 0 | 0 | 0 | 110.1 | P224 Y229 T230 L231 | P224-I227 PolarHBondContact O-N 2.65Å; I227-Y229 VanDerWaalsContact C-N 3.3Å; I227-Y229 PolarHBondContact O-N 2.77Å; I227-T230 PolarHBondContact O-N 3.32Å; I227-T230 PolarHBondContact O-OG1 2.89Å; I227-L231 WeakPolarHBondContact O-CB 3.37Å; I227-L231 PolarHBondContact O-N 2.88Å; I227-L231 VanDerWaalsContact O-N 3.1Å |
| 228 | L | 74.9 | Confident | 71.4 | Confident | 119 Ų | 119 | 107.9 Ų | 107.9 | 62% | 0.623 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -61.7 | -32.1 | -179.8 | -175.7 | 63.1 | 0 | 0 | 0 | 113.7 | P224 R225 P232 | P224-L228 WeakPolarHBondContact O-CB 3.49Å; P224-L228 PolarHBondContact O-N 3.07Å; R225-L228 PolarHBondContact O-N 2.8Å; L228-P232 WeakPolarHBondContact O-CD 3.48Å; L228-P232 WeakPolarHBondContact O-CG 3.32Å |
| 229 | Y | 74.4 | Confident | 73.6 | Confident | 172 Ų | 172 | 107 Ų | 107 | 68% | 0.675 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -90.3 | -31 | 177.1 | -69.7 | -61 | 0 | 0 | 0 | 114.3 | R225 F226 I227 V233 | R225-Y229 WeakPolarHBondContact O-CD2 3.45Å; R225-Y229 PolarHBondContact O-N 2.79Å; R225-Y229 VanDerWaalsContact O-N 3.12Å; F226-Y229 PolarHBondContact O-N 2.79Å; I227-Y229 VanDerWaalsContact C-N 3.3Å; I227-Y229 PolarHBondContact O-N 2.77Å; Y229-V233 WeakPolarHBondContact O-CG2 3.31Å |
| 230 | T | 78.3 | Confident | 75.5 | Confident | 77 Ų | 77 | 104.5 Ų | 104.5 | 47% | 0.472 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -79 | -39.5 | -178.2 | 49.8 | 0 | 0 | 0 | 0 | 113 | F226 I227 V233 A234 | F226-T230 HydrophobicContact CD1-CG2 4.12Å; F226-T230 WeakPolarHBondContact O-CB 3.48Å; F226-T230 WeakPolarHBondContact O-CG2 3.47Å; F226-T230 PolarHBondContact O-N 2.86Å; F226-T230 PolarHBondContact O-OG1 2.79Å; I227-T230 PolarHBondContact O-N 3.32Å; I227-T230 PolarHBondContact O-OG1 2.89Å; T230-V233 PolarHBondContact O-N 2.83Å; T230-A234 PolarHBondContact O-N 2.95Å; T230-A234 VanDerWaalsContact O-N 3.1Å |
| 231 | L | 82.5 | Confident | 77.6 | Confident | 108 Ų | 108 | 102.8 Ų | 102.8 | 57% | 0.565 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.9 | -45.4 | -176.3 | -167.6 | 71.3 | 0 | 0 | 0 | 113.5 | I227 V233 A234 I235 | I227-L231 WeakPolarHBondContact O-CB 3.37Å; I227-L231 PolarHBondContact O-N 2.88Å; I227-L231 VanDerWaalsContact O-N 3.1Å; L231-V233 PolarHBondContact O-N 2.81Å; L231-A234 PolarHBondContact O-N 2.97Å; L231-I235 HydrophobicContact CG-CD1 4.17Å; L231-I235 WeakPolarHBondContact O-CG1 3.32Å; L231-I235 PolarHBondContact O-N 3.19Å; L231-I235 VanDerWaalsContact O-N 3.11Å |
| 232 | P | 85.4 | Confident | 79.5 | Confident | 66 Ų | 66 | 99.4 Ų | 99.4 | 43% | 0.429 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.2 | -36.3 | 178.3 | -20.6 | 34.3 | 0 | 0 | 0 | 112.8 | L228 I235 V236 | L228-P232 WeakPolarHBondContact O-CD 3.48Å; L228-P232 WeakPolarHBondContact O-CG 3.32Å; P232-I235 PolarHBondContact O-N 3.47Å; P232-V236 WeakPolarHBondContact O-CG2 3.29Å; P232-V236 PolarHBondContact O-N 2.87Å |
| 233 | V | 87.6 | Confident | 81.5 | Confident | 103 Ų | 103 | 100.8 Ų | 100.8 | 62% | 0.624 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.9 | -41.5 | 178.7 | 175.2 | 0 | 0 | 0 | 0 | 110.7 | Y229 T230 L231 I235 V236 F237 | Y229-V233 WeakPolarHBondContact O-CG2 3.31Å; T230-V233 PolarHBondContact O-N 2.83Å; L231-V233 PolarHBondContact O-N 2.81Å; V233-I235 VanDerWaalsContact C-N 3.35Å; V233-I235 PolarHBondContact O-N 2.96Å; V233-V236 PolarHBondContact O-N 2.89Å; V233-F237 WeakPolarHBondContact O-CB 3.37Å; V233-F237 PolarHBondContact O-N 2.73Å |
| 234 | A | 87.8 | Confident | 83.2 | Confident | 56 Ų | 56 | 101.3 Ų | 101.3 | 46% | 0.463 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.6 | -38.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T230 L231 S238 | T230-A234 PolarHBondContact O-N 2.95Å; T230-A234 VanDerWaalsContact O-N 3.1Å; L231-A234 PolarHBondContact O-N 2.97Å; A234-S238 WeakPolarHBondContact O-CB 3.48Å; A234-S238 PolarHBondContact O-N 3.02Å; A234-S238 PolarHBondContact O-OG 2.85Å |
| 235 | I | 90.9 | Very high | 84.5 | Confident | 87 Ų | 87 | 103.7 Ų | 103.7 | 45% | 0.446 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.9 | -46.5 | 175.2 | -68 | 164.8 | 0 | 0 | 0 | 110.9 | L231 P232 V233 F237 S238 L239 | L231-I235 HydrophobicContact CG-CD1 4.17Å; L231-I235 WeakPolarHBondContact O-CG1 3.32Å; L231-I235 PolarHBondContact O-N 3.19Å; L231-I235 VanDerWaalsContact O-N 3.11Å; P232-I235 PolarHBondContact O-N 3.47Å; V233-I235 VanDerWaalsContact C-N 3.35Å; V233-I235 PolarHBondContact O-N 2.96Å; I235-F237 PolarHBondContact O-N 3.2Å; I235-S238 WeakPolarHBondContact CA-OG 3.32Å; I235-S238 PolarHBondContact O-N 3.16Å; I235-S238 PolarHBondContact O-OG 2.88Å; I235-S238 VanDerWaalsContact O-OG 3.04Å; I235-L239 HydrophobicContact CG2-CD1 3.89Å; I235-L239 HydrophobicContact CG2-CG 4.46Å; I235-L239 WeakPolarHBondContact O-CB 3.35Å; I235-L239 VanDerWaalsContact O-CG 3.26Å; I235-L239 WeakPolarHBondContact O-CG 3.31Å; I235-L239 PolarHBondContact O-N 2.79Å |
| 236 | V | 92.7 | Very high | 85.5 | Confident | 91 Ų | 91 | 96.8 Ų | 96.8 | 55% | 0.552 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.3 | -41.6 | 177.4 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | P232 V233 L239 T240 | P232-V236 WeakPolarHBondContact O-CG2 3.29Å; P232-V236 PolarHBondContact O-N 2.87Å; V233-V236 PolarHBondContact O-N 2.89Å; V236-L239 PolarHBondContact O-N 2.83Å; V236-T240 WeakPolarHBondContact O-CG2 3.39Å; V236-T240 PolarHBondContact O-N 2.85Å; V236-T240 PolarHBondContact O-OG1 2.98Å |
| 237 | F | 91.3 | Very high | 86.5 | Confident | 137 Ų | 137 | 93.7 Ų | 93.7 | 60% | 0.601 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.6 | -41.9 | 178.6 | -172.3 | -106.8 | 0 | 0 | 0 | 112.7 | V233 I235 T240 L241 | V233-F237 WeakPolarHBondContact O-CB 3.37Å; V233-F237 PolarHBondContact O-N 2.73Å; I235-F237 PolarHBondContact O-N 3.2Å; F237-T240 PolarHBondContact O-N 3.15Å; F237-T240 PolarHBondContact O-OG1 3.2Å; F237-L241 HydrophobicContact CD1-CD1 3.96Å; F237-L241 HydrophobicContact CE1-CD1 3.59Å; F237-L241 HydrophobicContact CE1-CG 4.38Å; F237-L241 HydrophobicContact CZ-CD1 4.1Å; F237-L241 WeakPolarHBondContact O-CG 3.49Å; F237-L241 PolarHBondContact O-N 3.14Å; F237-L241 VanDerWaalsContact O-N 3.14Å |
| 238 | S | 90.8 | Very high | 87 | Confident | 55 Ų | 55 | 98.4 Ų | 98.4 | 39% | 0.385 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.9 | -38.8 | 175.1 | 48.3 | 0 | 0 | 0 | 0 | 112.4 | A234 I235 L241 I242 | A234-S238 WeakPolarHBondContact O-CB 3.48Å; A234-S238 PolarHBondContact O-N 3.02Å; A234-S238 PolarHBondContact O-OG 2.85Å; I235-S238 WeakPolarHBondContact CA-OG 3.32Å; I235-S238 PolarHBondContact O-N 3.16Å; I235-S238 PolarHBondContact O-OG 2.88Å; I235-S238 VanDerWaalsContact O-OG 3.04Å; S238-L241 PolarHBondContact O-N 2.98Å; S238-I242 WeakPolarHBondContact O-CD1 3.36Å; S238-I242 VanDerWaalsContact O-CG1 3.27Å; S238-I242 WeakPolarHBondContact O-CG1 3.39Å; S238-I242 PolarHBondContact O-N 3.26Å |
| 239 | L | 93.6 | Very high | 86.8 | Confident | 91 Ų | 91 | 96 Ų | 96 | 48% | 0.476 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 174.1 | -73.4 | 170.2 | 0 | 0 | 0 | 112.7 | I235 V236 L241 I242 I243 | I235-L239 HydrophobicContact CG2-CD1 3.89Å; I235-L239 HydrophobicContact CG2-CG 4.46Å; I235-L239 WeakPolarHBondContact O-CB 3.35Å; I235-L239 VanDerWaalsContact O-CG 3.26Å; I235-L239 WeakPolarHBondContact O-CG 3.31Å; I235-L239 PolarHBondContact O-N 2.79Å; V236-L239 PolarHBondContact O-N 2.83Å; L239-L241 VanDerWaalsContact C-N 3.34Å; L239-L241 PolarHBondContact O-N 3.45Å; L239-I242 PolarHBondContact O-N 3.34Å; L239-I243 VanDerWaalsContact O-CG1 3.3Å; L239-I243 WeakPolarHBondContact O-CG1 3.45Å; L239-I243 PolarHBondContact O-N 2.9Å |
| 240 | T | 92 | Very high | 86.4 | Confident | 75 Ų | 75 | 94.9 Ų | 94.9 | 46% | 0.46 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.8 | -35.2 | 177.6 | 56 | 0 | 0 | 0 | 0 | 112.4 | V236 F237 A244 | V236-T240 WeakPolarHBondContact O-CG2 3.39Å; V236-T240 PolarHBondContact O-N 2.85Å; V236-T240 PolarHBondContact O-OG1 2.98Å; F237-T240 PolarHBondContact O-N 3.15Å; F237-T240 PolarHBondContact O-OG1 3.2Å; T240-A244 VanDerWaalsContact O-CB 3.28Å; T240-A244 WeakPolarHBondContact O-CB 3.44Å; T240-A244 PolarHBondContact O-N 3.04Å |
| 241 | L | 92.3 | Very high | 85.5 | Confident | 97 Ų | 97 | 100 Ų | 100 | 51% | 0.508 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.9 | -42.4 | 171.9 | -71.6 | 175.5 | 0 | 0 | 0 | 112.6 | F237 S238 L239 A244 F245 | F237-L241 HydrophobicContact CD1-CD1 3.96Å; F237-L241 HydrophobicContact CE1-CD1 3.59Å; F237-L241 HydrophobicContact CE1-CG 4.38Å; F237-L241 HydrophobicContact CZ-CD1 4.1Å; F237-L241 WeakPolarHBondContact O-CG 3.49Å; F237-L241 PolarHBondContact O-N 3.14Å; F237-L241 VanDerWaalsContact O-N 3.14Å; S238-L241 PolarHBondContact O-N 2.98Å; L239-L241 VanDerWaalsContact C-N 3.34Å; L239-L241 PolarHBondContact O-N 3.45Å; L241-A244 PolarHBondContact O-N 3.21Å; L241-F245 WeakPolarHBondContact O-CB 3.47Å; L241-F245 PolarHBondContact O-N 2.88Å |
| 242 | I | 91.1 | Very high | 84.3 | Confident | 108 Ų | 108 | 98 Ų | 98 | 55% | 0.554 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62 | -45.7 | 176.6 | -69.9 | 162.6 | 0 | 0 | 0 | 110.8 | S238 L239 F245 A246 | S238-I242 WeakPolarHBondContact O-CD1 3.36Å; S238-I242 VanDerWaalsContact O-CG1 3.27Å; S238-I242 WeakPolarHBondContact O-CG1 3.39Å; S238-I242 PolarHBondContact O-N 3.26Å; L239-I242 PolarHBondContact O-N 3.34Å; I242-F245 PolarHBondContact O-N 2.87Å; I242-A246 PolarHBondContact O-N 2.84Å |
| 243 | I | 90.2 | Very high | 82.6 | Confident | 108 Ų | 108 | 104 Ų | 104 | 55% | 0.554 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.1 | -45 | 177.1 | -66.6 | 163.8 | 0 | 0 | 0 | 110.7 | L239 F245 A246 V247 | L239-I243 VanDerWaalsContact O-CG1 3.3Å; L239-I243 WeakPolarHBondContact O-CG1 3.45Å; L239-I243 PolarHBondContact O-N 2.9Å; I243-F245 VanDerWaalsContact C-N 3.29Å; I243-F245 PolarHBondContact O-N 3.31Å; I243-A246 PolarHBondContact O-N 2.87Å; I243-V247 WeakPolarHBondContact O-CG2 3.4Å; I243-V247 PolarHBondContact O-N 2.93Å |
| 244 | A | 89.2 | Confident | 80.9 | Confident | 46 Ų | 46 | 102.3 Ų | 102.3 | 38% | 0.38 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.1 | -34.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T240 L241 R248 | T240-A244 VanDerWaalsContact O-CB 3.28Å; T240-A244 WeakPolarHBondContact O-CB 3.44Å; T240-A244 PolarHBondContact O-N 3.04Å; L241-A244 PolarHBondContact O-N 3.21Å; A244-R248 VanDerWaalsContact O-CG 3.26Å; A244-R248 WeakPolarHBondContact O-CG 3.48Å; A244-R248 PolarHBondContact O-N 2.78Å |
| 245 | F | 88.1 | Confident | 78.8 | Confident | 148 Ų | 148 | 105.3 Ų | 105.3 | 65% | 0.649 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -69.2 | -47.9 | 173.9 | -170 | -94.5 | 0 | 0 | 0 | 111.6 | L241 I242 I243 V247 R248 T249 | L241-F245 WeakPolarHBondContact O-CB 3.47Å; L241-F245 PolarHBondContact O-N 2.88Å; I242-F245 PolarHBondContact O-N 2.87Å; I243-F245 VanDerWaalsContact C-N 3.29Å; I243-F245 PolarHBondContact O-N 3.31Å; F245-V247 PolarHBondContact O-N 2.77Å; F245-R248 WeakPolarHBondContact O-CB 3.43Å; F245-R248 PolarHBondContact O-N 2.77Å; F245-R248 VanDerWaalsContact O-N 3.14Å; F245-T249 HydrophobicContact CD1-CG2 4.04Å; F245-T249 HydrophobicContact CE1-CG2 3.72Å; F245-T249 HydrophobicContact CZ-CG2 4.18Å; F245-T249 PolarHBondContact O-N 2.85Å |
| 246 | A | 87.2 | Confident | 76.5 | Confident | 45 Ų | 45 | 110.6 Ų | 110.6 | 37% | 0.372 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -55.5 | -51 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | I242 I243 R248 T249 E250 | I242-A246 PolarHBondContact O-N 2.84Å; I243-A246 PolarHBondContact O-N 2.87Å; A246-R248 VanDerWaalsContact C-N 3.28Å; A246-R248 PolarHBondContact O-N 2.71Å; A246-T249 PolarHBondContact O-N 2.83Å; A246-T249 PolarHBondContact O-OG1 2.83Å; A246-E250 PolarHBondContact O-N 3.1Å |
| 247 | V | 86.4 | Confident | 73.8 | Confident | 79 Ų | 79 | 116.1 Ų | 116.1 | 48% | 0.479 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -60.7 | -34.4 | 178.6 | 173.3 | 0 | 0 | 0 | 0 | 112.3 | I243 F245 K251 | I243-V247 WeakPolarHBondContact O-CG2 3.4Å; I243-V247 PolarHBondContact O-N 2.93Å; F245-V247 PolarHBondContact O-N 2.77Å; V247-K251 PolarHBondContact O-N 2.92Å |
| 248 | R | 80.5 | Confident | 71.2 | Confident | 199 Ų | 199 | 116.5 Ų | 116.5 | 75% | 0.751 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -66.9 | -40.9 | 172.4 | -74.8 | 172.8 | -179.7 | -165.9 | 0.7 | 111.9 | A244 F245 A246 G252 | A244-R248 VanDerWaalsContact O-CG 3.26Å; A244-R248 WeakPolarHBondContact O-CG 3.48Å; A244-R248 PolarHBondContact O-N 2.78Å; F245-R248 WeakPolarHBondContact O-CB 3.43Å; F245-R248 PolarHBondContact O-N 2.77Å; F245-R248 VanDerWaalsContact O-N 3.14Å; A246-R248 VanDerWaalsContact C-N 3.28Å; A246-R248 PolarHBondContact O-N 2.71Å; R248-G252 PolarHBondContact O-N 3Å |
| 249 | T | 70.9 | Confident | 68.6 | Low | 68 Ų | 68 | 119.4 Ų | 119.4 | 42% | 0.417 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -69.6 | -29 | 179 | 60.8 | 0 | 0 | 0 | 0 | 113.9 | F245 A246 | F245-T249 HydrophobicContact CD1-CG2 4.04Å; F245-T249 HydrophobicContact CE1-CG2 3.72Å; F245-T249 HydrophobicContact CZ-CG2 4.18Å; F245-T249 PolarHBondContact O-N 2.85Å; A246-T249 PolarHBondContact O-N 2.83Å; A246-T249 PolarHBondContact O-OG1 2.83Å |
| 250 | E | 66.6 | Low | 65.7 | Low | 148 Ų | 148 | 122.8 Ų | 122.8 | 69% | 0.692 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -75.3 | -45.1 | 174.2 | -68.3 | -167.2 | 139.3 | 0 | 0 | 112.3 | A246 G252 K253 | A246-E250 PolarHBondContact O-N 3.1Å; E250-G252 PolarHBondContact O-N 3.01Å; E250-G252 VanDerWaalsContact O-N 3.11Å; E250-K253 PolarHBondContact O-N 2.8Å |
| 251 | K | 57.8 | Low | 62.7 | Low | 186 Ų | 186 | 129.5 Ų | 129.5 | 81% | 0.809 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -58.9 | -24.4 | 174.7 | -91.6 | -170.6 | 170.6 | -175.5 | 0 | 113.3 | V247 K253 | V247-K251 PolarHBondContact O-N 2.92Å; K251-K253 VanDerWaalsContact C-N 3.28Å; K251-K253 PolarHBondContact O-N 2.88Å |
| 252 | G | 57.4 | Low | 59.9 | Low | 66 Ų | 66 | 130.8 Ų | 130.8 | 68% | 0.68 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -6.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | R248 E250 | R248-G252 PolarHBondContact O-N 3Å; E250-G252 PolarHBondContact O-N 3.01Å; E250-G252 VanDerWaalsContact O-N 3.11Å |
| 253 | K | 51.2 | Low | 57.1 | Low | 190 Ų | 190 | 132 Ų | 132 | 83% | 0.826 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | 5.9 | -175.6 | -72.9 | -179.3 | 176 | 175.1 | 0 | 115.2 | E250 K251 | E250-K253 PolarHBondContact O-N 2.8Å; K251-K253 VanDerWaalsContact C-N 3.28Å; K251-K253 PolarHBondContact O-N 2.88Å |
| 254 | G | 51.4 | Low | 54.2 | Low | 68 Ų | 68 | 133.2 Ų | 133.2 | 70% | 0.701 | 70% | 0.695 | S | S | * | * | trans | -108.5 | 44.7 | -164.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 255 | S | 42.3 | Very low | 51.4 | Low | 119 Ų | 119 | 140.6 Ų | 140.6 | 83% | 0.832 | 72% | 0.719 | S | S | * | * | trans | -160.9 | 117.3 | 161.4 | -169.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 256 | K | 43.4 | Very low | 48.7 | Very low | 199 Ų | 199 | 138.5 Ų | 138.5 | 87% | 0.865 | 72% | 0.721 | S | S | * | * | trans | -169.2 | 108.2 | 154.5 | -134.2 | 179.1 | -176.3 | -179.1 | 0 | 111.8 | ||||
| 257 | K | 37 | Very low | 46.7 | Very low | 206 Ų | 206 | 141.7 Ų | 141.7 | 90% | 0.896 | 74% | 0.738 | S | S | * | * | trans | -175.1 | 147.9 | 158.7 | -111.4 | 176.2 | -178.8 | -175.3 | 0 | 110 | ||||
| 258 | D | 36.1 | Very low | 44.2 | Very low | 145 Ų | 145 | 144.2 Ų | 144.2 | 78% | 0.775 | 75% | 0.748 | S | S | * | * | trans | -123.3 | 173.7 | -166.4 | -52.8 | -79.8 | 0 | 0 | 0 | 113.1 | ||||
| 259 | T | 35.6 | Very low | 41.8 | Very low | 117 Ų | 117 | 142.6 Ų | 142.6 | 72% | 0.718 | 75% | 0.749 | S | S | * | * | trans | 109.3 | 123.2 | 145.4 | -53.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 260 | E | 32.7 | Very low | 39.8 | Very low | 161 Ų | 161 | 145.8 Ų | 145.8 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | trans | 62.3 | 126.2 | 160.4 | -71 | 179.3 | 115 | 0 | 0 | 120.1 | ||||
| 261 | R | 29.9 | Very low | 37.9 | Very low | 217 Ų | 217 | 146 Ų | 146 | 82% | 0.819 | 77% | 0.765 | S | S | * | * | 75.2 | 139.5 | 64.8 | -91.5 | -175.2 | 174.6 | 165.4 | -2.1 | 113.9 | |||||
| 262 | V | 33.4 | Very low | 36.8 | Very low | 124 Ų | 124 | 142 Ų | 142 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | cis | -100.9 | -125 | 5.7 | -150.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 263 | D | 30.9 | Very low | 35.6 | Very low | 132 Ų | 132 | 146 Ų | 146 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | cis | -148 | -154.6 | -4.4 | -155.7 | 75.4 | 0 | 0 | 0 | 111.3 | ||||
| 264 | N | 30.9 | Very low | 34.7 | Very low | 134 Ų | 134 | 146.4 Ų | 146.4 | 72% | 0.717 | 76% | 0.755 | S | S | * | * | trans | -108.1 | 139.6 | -156.6 | -61.7 | -80.5 | 0 | 0 | 0 | 116.9 | ||||
| 265 | F | 30.4 | Very low | 33.9 | Very low | 201 Ų | 201 | 147.7 Ų | 147.7 | 88% | 0.882 | 76% | 0.759 | S | S | * | * | -157.3 | 145 | 120.6 | -148.4 | -100.9 | 0 | 0 | 0 | 111.8 | |||||
| 266 | C | 31.4 | Very low | 33.6 | Very low | 104 Ų | 104 | 148.7 Ų | 148.7 | 70% | 0.703 | 76% | 0.76 | S | S | * | * | trans | -168.1 | 177 | -174.1 | -100 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 267 | P | 44.5 | Very low | 33.5 | Very low | 113 Ų | 113 | 146.7 Ų | 146.7 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | cis | -101.4 | -127 | 4 | 14.3 | 10.7 | 0 | 0 | 0 | 110.5 | ||||
| 268 | L | 33.6 | Very low | 33.9 | Very low | 132 Ų | 132 | 142 Ų | 142 | 69% | 0.691 | 75% | 0.749 | S | S | * | * | cis | -172.2 | 144.2 | 5.3 | -165.3 | 71.4 | 0 | 0 | 0 | 104.9 | ||||
| 269 | E | 30.7 | Very low | 33.9 | Very low | 165 Ų | 165 | 145 Ų | 145 | 77% | 0.771 | 75% | 0.75 | S | S | * | * | cis | -158.8 | 173.4 | -2.3 | -119.6 | 165 | 173.8 | 0 | 0 | 106.2 | ||||
| 270 | E | 27.4 | Very low | 34.1 | Very low | 135 Ų | 135 | 145.1 Ų | 145.1 | 63% | 0.631 | 75% | 0.745 | S | S | * | * | cis | -152.7 | 149 | -6 | 178.2 | -95.5 | 129.8 | 0 | 0 | 107 | T272 | E270-T272 PolarHBondContact OE1-N 2.82Š| ||
| 271 | N | 28 | Very low | 34.2 | Very low | 151 Ų | 151 | 143.8 Ų | 143.8 | 81% | 0.807 | 74% | 0.743 | S | S | * | * | trans | -165.8 | 112.5 | 158.4 | 51 | -20.6 | 0 | 0 | 0 | 114.4 | ||||
| 272 | T | 34.3 | Very low | 34.7 | Very low | 102 Ų | 102 | 141.4 Ų | 141.4 | 63% | 0.626 | 74% | 0.741 | S | S | * | * | trans | -54.5 | 130.4 | 157.2 | 35.6 | 0 | 0 | 0 | 0 | 111.4 | E270 | E270-T272 PolarHBondContact OE1-N 2.82Š| ||
| 273 | E | 32.6 | Very low | 34.7 | Very low | 152 Ų | 152 | 146.2 Ų | 146.2 | 71% | 0.71 | 75% | 0.746 | S | S | * | * | 61 | 129.4 | 90.9 | -122.5 | -169.1 | 156 | 0 | 0 | 113.1 | |||||
| 274 | Y | 31.7 | Very low | 34.7 | Very low | 198 Ų | 198 | 144 Ų | 144 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | cis | -148.2 | 169.3 | 22.2 | -16.1 | -103.8 | 0 | 0 | 0 | 110.3 | ||||
| 275 | A | 35.2 | Very low | 35 | Very low | 95 Ų | 95 | 145.5 Ų | 145.5 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | trans | -103.9 | 152.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 276 | T | 35.8 | Very low | 35.3 | Very low | 139 Ų | 139 | 144.4 Ų | 144.4 | 85% | 0.853 | 75% | 0.746 | S | S | * | * | trans | -148.3 | 126.4 | 164.6 | -62.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 277 | I | 41.8 | Very low | 35.5 | Very low | 158 Ų | 158 | 147.6 Ų | 147.6 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | trans | -133.3 | 150.1 | 158.6 | -27.1 | 177.8 | 0 | 0 | 0 | 105.1 | ||||
| 278 | P | 45.8 | Very low | 35.1 | Very low | 108 Ų | 108 | 149.7 Ų | 149.7 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | -154.7 | 152.7 | 98.7 | 40.6 | -23.4 | 0 | 0 | 0 | 116.5 | |||||
| 279 | Y | 34.5 | Very low | 35.3 | Very low | 208 Ų | 208 | 147.6 Ų | 147.6 | 82% | 0.816 | 76% | 0.763 | S | S | * | * | trans | 68.4 | 157.4 | 140.5 | -97.4 | -159.2 | 0 | 0 | 0 | 120.7 | ||||
| 280 | I | 40.9 | Very low | 35.8 | Very low | 119 Ų | 119 | 144.1 Ų | 144.1 | 61% | 0.61 | 76% | 0.762 | S | S | * | * | cis | -150 | 152.4 | -0.8 | -148.3 | -178.8 | 0 | 0 | 0 | 114.6 | ||||
| 281 | N | 33.3 | Very low | 36.4 | Very low | 132 Ų | 132 | 145.9 Ų | 145.9 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | 61.1 | 153.2 | 147 | -126.9 | 1.6 | 0 | 0 | 0 | 125.7 | ||||
| 282 | E | 40.7 | Very low | 37 | Very low | 167 Ų | 167 | 143.8 Ų | 143.8 | 78% | 0.78 | 77% | 0.768 | S | S | * | * | trans | -99.7 | 165 | 179.1 | -47.7 | 169.2 | 120 | 0 | 0 | 113.7 | ||||
| 283 | R | 33.3 | Very low | 37.3 | Very low | 226 Ų | 226 | 146.7 Ų | 146.7 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | 179.8 | 153.3 | 123.1 | -100.1 | -176.6 | -77 | -179.7 | -5.1 | 109.5 | |||||
| 284 | S | 30.8 | Very low | 37.4 | Very low | 86 Ų | 86 | 149.1 Ų | 149.1 | 60% | 0.601 | 78% | 0.783 | S | S | * | * | cis | 174.4 | 155.2 | -26.1 | 49.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 285 | L | 37.3 | Very low | 37.6 | Very low | 164 Ų | 164 | 144.8 Ų | 144.8 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | trans | 84.3 | 111.2 | 166.4 | -61.8 | 160.8 | 0 | 0 | 0 | 117.7 | ||||
| 286 | E | 38 | Very low | 38 | Very low | 179 Ų | 179 | 146.2 Ų | 146.2 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | trans | -62 | 156.5 | 141.7 | -66.6 | 124.9 | 104.4 | 0 | 0 | 111.3 | ||||
| 287 | D | 34.5 | Very low | 38.2 | Very low | 171 Ų | 171 | 145.6 Ų | 145.6 | 91% | 0.914 | 78% | 0.777 | S | S | * | * | -154.3 | 160.2 | 119.4 | -132 | -25.4 | 0 | 0 | 0 | 110.2 | |||||
| 288 | D | 37.5 | Very low | 38.1 | Very low | 156 Ų | 156 | 146.4 Ų | 146.4 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | trans | -109.9 | 175.7 | -164.3 | -152.8 | -10.8 | 0 | 0 | 0 | 114 | ||||
| 289 | A | 37.2 | Very low | 37.9 | Very low | 89 Ų | 89 | 148.5 Ų | 148.5 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | trans | 92.9 | 169.5 | 154 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 290 | A | 40.8 | Very low | 38.5 | Very low | 91 Ų | 91 | 144.1 Ų | 144.1 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | trans | 81.3 | 79.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | T292 | A290-T292 PolarHBondContact O-N 2.9Š| ||
| 291 | N | 40.9 | Very low | 38.4 | Very low | 172 Ų | 172 | 148 Ų | 148 | 92% | 0.92 | 79% | 0.791 | S | S | * | * | trans | -56.3 | 131.9 | 156.7 | -74.6 | -34.8 | 0 | 0 | 0 | 111.6 | ||||
| 292 | T | 40.3 | Very low | 38.9 | Very low | 107 Ų | 107 | 146.7 Ų | 146.7 | 66% | 0.656 | 80% | 0.798 | S | S | * | * | trans | -143.9 | 115.3 | 158.8 | -48.7 | 0 | 0 | 0 | 0 | 110.1 | A290 Y294 | A290-T292 PolarHBondContact O-N 2.9Å; T292-Y294 HydrophobicContact CG2-CD2 4.12Å; T292-Y294 HydrophobicContact CG2-CE2 3.59Å | ||
| 293 | L | 39.4 | Very low | 39.1 | Very low | 163 Ų | 163 | 145.3 Ų | 145.3 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -115.6 | 109.9 | -178.7 | -171.9 | 148.1 | 0 | 0 | 0 | 110.2 | ||||
| 294 | Y | 34.6 | Very low | 39.5 | Very low | 204 Ų | 204 | 143.9 Ų | 143.9 | 80% | 0.8 | 80% | 0.801 | S | S | * | * | trans | -88.1 | 128.3 | 174.8 | -73.6 | -84.8 | 0 | 0 | 0 | 110.8 | T292 | T292-Y294 HydrophobicContact CG2-CD2 4.12Å; T292-Y294 HydrophobicContact CG2-CE2 3.59Å | ||
| 295 | S | 37 | Very low | 39.8 | Very low | 106 Ų | 106 | 145 Ų | 145 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | trans | -101.8 | 120.4 | 171.8 | -173.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 296 | T | 42.8 | Very low | 39.9 | Very low | 125 Ų | 125 | 141.3 Ų | 141.3 | 77% | 0.767 | 79% | 0.794 | S | S | * | * | trans | -91.9 | 108.8 | -179.3 | -57.5 | 0 | 0 | 0 | 0 | 110.2 | Q298 | T296-Q298 PolarHBondContact O-N 3.04Š| ||
| 297 | V | 40 | Very low | 40 | Very low | 127 Ų | 127 | 138.7 Ų | 138.7 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | -71.7 | 113.8 | 177.3 | 179.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 298 | Q | 39.5 | Very low | 40.1 | Very low | 175 Ų | 175 | 140.2 Ų | 140.2 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 127 | 169.7 | -66.6 | -169.5 | 6.1 | 0 | 0 | 110.5 | T296 P300 | T296-Q298 PolarHBondContact O-N 3.04Å; Q298-P300 WeakPolarHBondContact O-CD 3.28Å |
| 299 | I | 43.4 | Very low | 40.5 | Very low | 151 Ų | 151 | 140.5 Ų | 140.5 | 77% | 0.774 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 121.1 | 176.5 | -57.5 | 173.2 | 0 | 0 | 0 | 108.9 | ||
| 300 | P | 45.1 | Very low | 40.7 | Very low | 117 Ų | 117 | 142.5 Ų | 142.5 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 137.4 | 175.2 | -22 | 34.1 | 0 | 0 | 0 | 112 | Q298 | Q298-P300 WeakPolarHBondContact O-CD 3.28Š|
| 301 | K | 40.8 | Very low | 40.7 | Very low | 200 Ų | 200 | 142.6 Ų | 142.6 | 87% | 0.87 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 138.2 | 174.1 | -68.7 | -179.3 | 179.3 | 176.8 | 0 | 110.3 | V303 | K301-V303 PolarHBondContact O-N 3.1Š|
| 302 | A | 41.8 | Very low | 40.8 | Very low | 105 Ų | 105 | 143.4 Ų | 143.4 | 87% | 0.868 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 124.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 303 | V | 45.8 | Very low | 41.3 | Very low | 137 Ų | 137 | 143.8 Ų | 143.8 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 126.2 | 172.9 | 178 | 0 | 0 | 0 | 0 | 108.9 | K301 S305 | K301-V303 PolarHBondContact O-N 3.1Å; V303-S305 PolarHBondContact O-N 3.27Å |
| 304 | K | 42 | Very low | 41.4 | Very low | 197 Ų | 197 | 141.4 Ų | 141.4 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 126.2 | 169.3 | -77.3 | -174.6 | 173.9 | -177.4 | 0 | 109.4 | ||
| 305 | S | 37.2 | Very low | 41.5 | Very low | 110 Ų | 110 | 140.5 Ų | 140.5 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 135.4 | 173 | -168.4 | 0 | 0 | 0 | 0 | 111 | V303 | V303-S305 PolarHBondContact O-N 3.27Š|
| 306 | P | 38.2 | Very low | 41.4 | Very low | 85 Ų | 85 | 146.8 Ų | 146.8 | 55% | 0.552 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 133.5 | 167.3 | -13.5 | 28.5 | 0 | 0 | 0 | 110.7 | Y308 | P306-Y308 HydrophobicContact CB-CD2 4.32Å; P306-Y308 HydrophobicContact CB-CE2 3.81Å; P306-Y308 HydrophobicContact CG-CE2 4.27Å; P306-Y308 WeakPolarHBondContact O-CD2 3.35Å; P306-Y308 PolarHBondContact O-N 3.33Å |
| 307 | S | 40.6 | Very low | 40.9 | Very low | 124 Ų | 124 | 152.2 Ų | 152.2 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | trans | -76.7 | 105.7 | 174.4 | 53 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 308 | Y | 37.1 | Very low | 40.7 | Very low | 203 Ų | 203 | 155.4 Ų | 155.4 | 80% | 0.796 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 129.9 | 170.6 | -72.5 | -84.7 | 0 | 0 | 0 | 110.8 | P306 | P306-Y308 HydrophobicContact CB-CD2 4.32Å; P306-Y308 HydrophobicContact CB-CE2 3.81Å; P306-Y308 HydrophobicContact CG-CE2 4.27Å; P306-Y308 WeakPolarHBondContact O-CD2 3.35Å; P306-Y308 PolarHBondContact O-N 3.33Å |
| 309 | L | 46.1 | Very low | 40.5 | Very low | 163 Ų | 163 | 154.7 Ų | 154.7 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 150.2 | 167 | -69.5 | 167.2 | 0 | 0 | 0 | 109.8 | A311 | L309-A311 PolarHBondContact O-N 3.18Š|
| 310 | P | 40.9 | Very low | 40 | Very low | 130 Ų | 130 | 152.7 Ų | 152.7 | 84% | 0.844 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 132.5 | 175.4 | -16.5 | 30.7 | 0 | 0 | 0 | 111.2 | ||
| 311 | A | 40.7 | Very low | 39.6 | Very low | 94 Ų | 94 | 156.8 Ų | 156.8 | 78% | 0.777 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 147.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | L309 | L309-A311 PolarHBondContact O-N 3.18Š|
| 312 | E | 43.7 | Very low | 39.5 | Very low | 188 Ų | 188 | 155.8 Ų | 155.8 | 88% | 0.879 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 142.7 | 175.9 | -66.2 | -178.5 | 116.1 | 0 | 0 | 111.6 | ||
| 313 | P | 50.8 | Low | 39.2 | Very low | 116 Ų | 116 | 158.3 Ų | 158.3 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 140.2 | 174.2 | 30.6 | -33.9 | 0 | 0 | 0 | 110.9 | M315 | P313-M315 PolarHBondContact O-N 3.15Š|
| 314 | P | 41 | Very low | 38.9 | Very low | 113 Ų | 113 | 159.8 Ų | 159.8 | 73% | 0.734 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 135.9 | 178.4 | 27.1 | -34 | 0 | 0 | 0 | 112 | W316 | P314-W316 PolarHBondContact O-N 3.31Š|
| 315 | M | 36.9 | Very low | 39.3 | Very low | 184 Ų | 184 | 161.8 Ų | 161.8 | 91% | 0.906 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 122.2 | 178.8 | 177.5 | 177.5 | 62 | 0 | 0 | 112.1 | P313 | P313-M315 PolarHBondContact O-N 3.15Š|
| 316 | W | 34.1 | Very low | 39.4 | Very low | 238 Ų | 238 | 164.4 Ų | 164.4 | 90% | 0.902 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 134.5 | 174.8 | -69.3 | 89.2 | 0 | 0 | 0 | 111.3 | P314 | P314-W316 PolarHBondContact O-N 3.31Š|
| 317 | R | 34 | Very low | 39.5 | Very low | 240 Ų | 240 | 168.6 Ų | 168.6 | 91% | 0.906 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 135.3 | 174 | -64 | -176.1 | -177.5 | -170.4 | 0.9 | 110.1 | ||
| 318 | Q | 34.3 | Very low | 39.4 | Very low | 194 Ų | 194 | 171.1 Ų | 171.1 | 91% | 0.907 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 132.4 | 164.7 | -68.5 | 171.8 | -86.9 | 0 | 0 | 109.5 | ||
| 319 | L | 35.8 | Very low | 39.5 | Very low | 160 Ų | 160 | 169.2 Ų | 169.2 | 84% | 0.838 | 87% | 0.866 | S | S | * | * | trans | -91.2 | 114.6 | 163.9 | -77.5 | 166.3 | 0 | 0 | 0 | 108.2 | ||||
| 320 | S | 32 | Very low | 39.1 | Very low | 109 Ų | 109 | 169.6 Ų | 169.6 | 76% | 0.762 | 87% | 0.867 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 121.7 | 168.7 | 47.8 | 0 | 0 | 0 | 0 | 109.6 | E322 | S320-E322 PolarHBondContact O-N 3.33Š|
| 321 | F | 38.3 | Very low | 39 | Very low | 202 Ų | 202 | 172.2 Ų | 172.2 | 89% | 0.886 | 87% | 0.868 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 119.3 | 163.6 | -78.7 | -87.3 | 0 | 0 | 0 | 108.8 | ||
| 322 | E | 39.1 | Very low | 38.9 | Very low | 179 Ų | 179 | 177.8 Ų | 177.8 | 84% | 0.836 | 88% | 0.875 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 123.1 | -179.8 | -165.7 | 159.4 | -150.6 | 0 | 0 | 108.6 | S320 | S320-E322 PolarHBondContact O-N 3.33Š|
| 323 | N | 35.5 | Very low | 38.5 | Very low | 159 Ų | 159 | 177 Ų | 177 | 85% | 0.85 | 87% | 0.874 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 131.2 | -177.4 | -76 | -24.6 | 0 | 0 | 0 | 110.6 | ||
| 324 | I | 39.6 | Very low | 37.5 | Very low | 168 Ų | 168 | 182.1 Ų | 182.1 | 86% | 0.862 | 88% | 0.884 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 143.4 | 163.9 | -61.6 | 179.8 | 0 | 0 | 0 | 108.2 | ||
| 325 | I | 49.5 | Very low | 37.2 | Very low | 239 Ų | 239 | 188.4 Ų | 188.4 | 100% | 1.226 | 90% | 0.898 | S | S | * | * | trans | -76.8 | 0 | -172 | -57.4 | 168.8 | 0 | 0 | 0 | 111.1 |
Retrieved 325 of 325 residues in 74.2 ms
(Link to these results)