| 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 | 59.7 | Low | 60.3 | Low | 209 Ų | 209 | 119.4 Ų | 119.4 | 100% | 1.03 | 64% | 0.642 | S | S | * | * | 0 | -29.8 | 0 | -67.4 | 177 | 68.4 | 0 | 0 | 113.7 | T4 | M1-T4 PolarHBondContact O-OG1 3.38Š| |||
| 2 | A | 60.7 | Low | 60.3 | Low | 77 Ų | 77 | 116.6 Ų | 116.6 | 64% | 0.636 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -73.8 | -28.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S5 L6 | A2-S5 PolarHBondContact O-N 3.47Å; A2-L6 PolarHBondContact O-N 3.03Å |
| 3 | W | 54 | Low | 60.4 | Low | 207 Ų | 207 | 118 Ų | 118 | 78% | 0.784 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -69.5 | -36.1 | -179.9 | -83.5 | 22.1 | 0 | 0 | 0 | 113.9 | S5 L6 I7 | W3-S5 VanDerWaalsContact C-N 3.31Å; W3-S5 PolarHBondContact O-N 3.46Å; W3-L6 PolarHBondContact O-N 3.29Å; W3-I7 WeakPolarHBondContact O-CB 3.35Å; W3-I7 WeakPolarHBondContact O-CD1 3.33Å; W3-I7 WeakPolarHBondContact O-CG1 3.26Å; W3-I7 PolarHBondContact O-N 3.06Å |
| 4 | T | 60.5 | Low | 60.5 | Low | 92 Ų | 92 | 117.3 Ų | 117.3 | 56% | 0.564 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -65.2 | -37.8 | 175.5 | 45.2 | 0 | 0 | 0 | 0 | 111.3 | M1 I7 L8 | M1-T4 PolarHBondContact O-OG1 3.38Å; T4-I7 PolarHBondContact O-N 2.71Å; T4-L8 PolarHBondContact O-N 2.74Å |
| 5 | S | 61.3 | Low | 60.8 | Low | 72 Ų | 72 | 116.9 Ų | 116.9 | 50% | 0.503 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -68 | -38.8 | 174.7 | -51.6 | 0 | 0 | 0 | 0 | 112 | A2 W3 S9 | A2-S5 PolarHBondContact O-N 3.47Å; W3-S5 VanDerWaalsContact C-N 3.31Å; W3-S5 PolarHBondContact O-N 3.46Å; S5-S9 WeakPolarHBondContact O-CB 3.47Å; S5-S9 PolarHBondContact O-N 3.4Å; S5-S9 PolarHBondContact O-OG 3.45Å |
| 6 | L | 60.8 | Low | 61.1 | Low | 118 Ų | 118 | 115.9 Ų | 115.9 | 62% | 0.618 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -66 | -41.5 | 175.8 | -158.9 | 79.1 | 0 | 0 | 0 | 111.8 | A2 W3 S9 L10 | A2-L6 PolarHBondContact O-N 3.03Å; W3-L6 PolarHBondContact O-N 3.29Å; L6-S9 PolarHBondContact O-N 3.35Å; L6-L10 WeakPolarHBondContact O-CB 3.35Å; L6-L10 PolarHBondContact O-N 2.97Å |
| 7 | I | 64.1 | Low | 61.4 | Low | 97 Ų | 97 | 116.2 Ų | 116.2 | 50% | 0.497 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -66.4 | -43.2 | 177.7 | -67.9 | 162 | 0 | 0 | 0 | 111.2 | W3 T4 S9 L10 L11 | W3-I7 WeakPolarHBondContact O-CB 3.35Å; W3-I7 WeakPolarHBondContact O-CD1 3.33Å; W3-I7 WeakPolarHBondContact O-CG1 3.26Å; W3-I7 PolarHBondContact O-N 3.06Å; T4-I7 PolarHBondContact O-N 2.71Å; I7-S9 VanDerWaalsContact C-N 3.32Å; I7-S9 PolarHBondContact O-N 3.26Å; I7-L10 PolarHBondContact O-N 2.96Å; I7-L11 HydrophobicContact CG2-CD1 3.85Å; I7-L11 WeakPolarHBondContact O-CD1 3.47Å; I7-L11 WeakPolarHBondContact O-CG 3.38Å; I7-L11 PolarHBondContact O-N 3.47Å |
| 8 | L | 60.4 | Low | 61.9 | Low | 127 Ų | 127 | 116.1 Ų | 116.1 | 67% | 0.665 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -62.5 | -38.6 | 174.1 | -116.9 | 77.6 | 0 | 0 | 0 | 112.2 | T4 L11 A12 | T4-L8 PolarHBondContact O-N 2.74Å; L8-L11 PolarHBondContact O-N 2.84Å; L8-A12 PolarHBondContact O-N 3.35Å; L8-A12 VanDerWaalsContact O-N 3.14Å |
| 9 | S | 61.7 | Low | 62.9 | Low | 69 Ų | 69 | 118.9 Ų | 118.9 | 48% | 0.483 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -65.7 | -40.4 | 176 | -51.2 | 0 | 0 | 0 | 0 | 111.6 | S5 L6 I7 A12 L13 | S5-S9 WeakPolarHBondContact O-CB 3.47Å; S5-S9 PolarHBondContact O-N 3.4Å; S5-S9 PolarHBondContact O-OG 3.45Å; L6-S9 PolarHBondContact O-N 3.35Å; I7-S9 VanDerWaalsContact C-N 3.32Å; I7-S9 PolarHBondContact O-N 3.26Å; S9-A12 PolarHBondContact O-N 3.04Å; S9-L13 WeakPolarHBondContact O-CD1 3.46Å |
| 10 | L | 59.5 | Low | 64 | Low | 127 Ų | 127 | 114.9 Ų | 114.9 | 67% | 0.665 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -68.3 | -36.6 | 178.3 | -142.3 | 84.2 | 0 | 0 | 0 | 112.2 | L6 I7 A12 L13 | L6-L10 WeakPolarHBondContact O-CB 3.35Å; L6-L10 PolarHBondContact O-N 2.97Å; I7-L10 PolarHBondContact O-N 2.96Å; L10-A12 VanDerWaalsContact C-N 3.33Å; L10-L13 PolarHBondContact O-N 3.29Å |
| 11 | L | 60.8 | Low | 65.4 | Low | 118 Ų | 118 | 113.2 Ų | 113.2 | 62% | 0.618 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -68.3 | -30.9 | 174.5 | -77.7 | 155.8 | 0 | 0 | 0 | 112.5 | I7 L8 L13 C14 | I7-L11 HydrophobicContact CG2-CD1 3.85Å; I7-L11 WeakPolarHBondContact O-CD1 3.47Å; I7-L11 WeakPolarHBondContact O-CG 3.38Å; I7-L11 PolarHBondContact O-N 3.47Å; L8-L11 PolarHBondContact O-N 2.84Å; L11-L13 PolarHBondContact O-N 2.83Å; L11-C14 PolarHBondContact O-N 3.45Å |
| 12 | A | 60.4 | Low | 67 | Low | 86 Ų | 86 | 106.1 Ų | 106.1 | 71% | 0.711 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -12.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114 | L8 S9 L10 | L8-A12 PolarHBondContact O-N 3.35Å; L8-A12 VanDerWaalsContact O-N 3.14Å; S9-A12 PolarHBondContact O-N 3.04Å; L10-A12 VanDerWaalsContact C-N 3.33Å |
| 13 | L | 60.6 | Low | 68.7 | Low | 135 Ų | 135 | 105.3 Ų | 105.3 | 71% | 0.707 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -2.5 | 175.3 | -82 | 143.9 | 0 | 0 | 0 | 113.4 | S9 L10 L11 S15 | S9-L13 WeakPolarHBondContact O-CD1 3.46Å; L10-L13 PolarHBondContact O-N 3.29Å; L11-L13 PolarHBondContact O-N 2.83Å; L13-S15 VanDerWaalsContact C-N 3.33Å; L13-S15 PolarHBondContact O-N 3.32Å |
| 14 | C | 61.9 | Low | 70.7 | Confident | 108 Ų | 108 | 98.4 Ų | 98.4 | 73% | 0.73 | 60% | 0.602 | S | S | * | * | trans | -78.3 | 82.4 | 171.4 | -101.2 | 0 | 0 | 0 | 0 | 110.1 | L11 A16 | L11-C14 PolarHBondContact O-N 3.45Å; C14-A16 PolarHBondContact O-N 3.12Å | ||
| 15 | S | 64.9 | Low | 72.4 | Confident | 112 Ų | 112 | 97 Ų | 97 | 78% | 0.783 | 59% | 0.588 | S | S | * | * | trans | -66.5 | 100.4 | 161.8 | 39.5 | 0 | 0 | 0 | 0 | 108.7 | L13 S17 | L13-S15 VanDerWaalsContact C-N 3.33Å; L13-S15 PolarHBondContact O-N 3.32Å; S15-S17 PolarHBondContact O-N 3.19Å; S15-S17 VanDerWaalsContact O-N 3.09Å | ||
| 16 | A | 65.6 | Low | 73.9 | Confident | 100 Ų | 100 | 99.5 Ų | 99.5 | 83% | 0.826 | 61% | 0.606 | S | S | * | * | trans | -68.8 | 102.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | C14 S18 | C14-A16 PolarHBondContact O-N 3.12Å; A16-S18 PolarHBondContact O-N 2.87Å | ||
| 17 | S | 67.5 | Low | 75.5 | Confident | 122 Ų | 122 | 97.8 Ų | 97.8 | 85% | 0.853 | 61% | 0.609 | S | S | * | * | trans | -76.3 | 109.4 | 170.2 | 42 | 0 | 0 | 0 | 0 | 109.5 | S15 | S15-S17 PolarHBondContact O-N 3.19Å; S15-S17 VanDerWaalsContact O-N 3.09Å | ||
| 18 | S | 69.8 | Low | 77 | Confident | 114 Ų | 114 | 97.1 Ų | 97.1 | 80% | 0.797 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 127.5 | 173.6 | -172.1 | 0 | 0 | 0 | 0 | 110.1 | A16 | A16-S18 PolarHBondContact O-N 2.87Š|
| 19 | Q | 80.2 | Confident | 78.6 | Confident | 169 Ų | 169 | 97.8 Ų | 97.8 | 79% | 0.79 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 138.4 | 174.4 | -173 | 174.4 | -0.1 | 0 | 0 | 110.1 | V21 | Q19-V21 PolarHBondContact O-N 3.46Š|
| 20 | A | 85.7 | Confident | 80.2 | Confident | 38 Ų | 38 | 97.5 Ų | 97.5 | 31% | 0.314 | 61% | 0.611 | S | S | . | * | P | Polyproline II helix | trans | -62.5 | 129.4 | 173 | 0 | 0 | 0 | 0 | 0 | 110.4 | T44 Y112 | A20-T44 HydrophobicContact CB-CG2 3.71Å; A20-Y112 HydrophobicContact CB-CE2 4.37Å |
| 21 | V | 92.4 | Very high | 81.9 | Confident | 81 Ų | 81 | 95.2 Ų | 95.2 | 49% | 0.491 | 61% | 0.606 | S | S | . | * | trans | -106.6 | 132.7 | 177.7 | -179.6 | 0 | 0 | 0 | 0 | 108.4 | Q19 S43 | Q19-V21 PolarHBondContact O-N 3.46Å; V21-S43 PolarHBondContact N-OG 2.8Å; V21-S43 PolarHBondContact O-N 2.92Å | ||
| 22 | V | 94.6 | Very high | 83.6 | Confident | 60 Ų | 60 | 95.2 Ų | 95.2 | 36% | 0.364 | 61% | 0.613 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101 | 130.7 | 173.2 | -175.2 | 0 | 0 | 0 | 0 | 108.2 | C40 R41 C108 L110 | V22-C40 WeakPolarHBondContact CG1-SG 3.48Å; V22-R41 WeakPolarHBondContact CA-O 3.3Å; V22-C108 WeakPolarHBondContact CG1-SG 3.46Å; V22-L110 HydrophobicContact CG1-CD1 4.36Å; V22-L110 HydrophobicContact CG1-CG 4.26Å; V22-L110 HydrophobicContact CG2-CB 4.36Å; V22-L110 HydrophobicContact CG2-CD1 3.96Å; V22-L110 HydrophobicContact CG2-CG 4.01Å |
| 23 | T | 96.2 | Very high | 85.4 | Confident | 60 Ų | 60 | 93.8 Ų | 93.8 | 37% | 0.368 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.3 | 136.7 | 179.1 | -40.8 | 0 | 0 | 0 | 0 | 110.4 | C40 R41 | T23-C40 WeakPolarHBondContact O-CA 3.5Å; T23-R41 PolarHBondContact N-O 3.45Å; T23-R41 PolarHBondContact O-N 3.41Å |
| 24 | Q | 96.3 | Very high | 87.2 | Confident | 62 Ų | 62 | 88 Ų | 88 | 29% | 0.29 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -136.5 | 171.8 | 174.1 | 58.1 | 176.9 | 71.7 | 0 | 0 | 109.6 | T39 Y106 C108 | Q24-T39 VanDerWaalsContact CA-O 3.26Å; Q24-T39 WeakPolarHBondContact CA-O 3.26Å; Q24-T39 VanDerWaalsContact CB-O 3.26Å; Q24-T39 WeakPolarHBondContact CB-O 3.39Å; Q24-Y106 PolarHBondContact NE2-O 3.02Å; Q24-C108 VanDerWaalsContact OE1-N 3.13Å |
| 25 | E | 95.6 | Very high | 88.9 | Confident | 61 Ų | 61 | 86.6 Ų | 86.6 | 29% | 0.285 | 57% | 0.568 | S | S | . | * | trans | -62.4 | 143.9 | 173.1 | -60.4 | 77.8 | -166.2 | 0 | 0 | 111.1 | L28 T39 | E25-L28 HydrophobicContact CB-CD1 3.99Å; E25-L28 HydrophobicContact CB-CD2 4.3Å; E25-L28 HydrophobicContact CB-CG 3.95Å; E25-L28 HydrophobicContact CG-CD1 4.08Å; E25-L28 HydrophobicContact CG-CD2 4.22Å; E25-L28 HydrophobicContact CG-CG 4.28Å; E25-T39 WeakPolarHBondContact OE1-CB 3.48Å; E25-T39 PolarHBondContact OE1-N 3.33Å; E25-T39 PolarHBondContact OE1-OG1 3.26Å; E25-T39 PolarHBondContact OE2-N 2.95Å; E25-T39 VanDerWaalsContact OE2-O 3.11Å | ||
| 26 | S | 92.9 | Very high | 90.4 | Very high | 126 Ų | 126 | 82.4 Ų | 82.4 | 88% | 0.881 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -75.6 | -36.8 | -179.5 | 51.9 | 0 | 0 | 0 | 0 | 113 | ||
| 27 | A | 94.6 | Very high | 92 | Very high | 82 Ų | 82 | 81.3 Ų | 81.3 | 68% | 0.678 | 52% | 0.517 | S | S | * | . | trans | -158.6 | 144.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 28 | L | 95.3 | Very high | 93.4 | Very high | 83 Ų | 83 | 76.2 Ų | 76.2 | 44% | 0.435 | 48% | 0.48 | S | S | . | . | trans | -135.1 | 144.1 | 175.1 | -70 | 168.3 | 0 | 0 | 0 | 108.6 | E25 V36 L38 | E25-L28 HydrophobicContact CB-CD1 3.99Å; E25-L28 HydrophobicContact CB-CD2 4.3Å; E25-L28 HydrophobicContact CB-CG 3.95Å; E25-L28 HydrophobicContact CG-CD1 4.08Å; E25-L28 HydrophobicContact CG-CD2 4.22Å; E25-L28 HydrophobicContact CG-CG 4.28Å; L28-V36 HydrophobicContact CB-CG2 3.9Å; L28-V36 HydrophobicContact CD1-CG2 3.99Å; L28-L38 HydrophobicContact CD1-CB 4.42Å; L28-L38 HydrophobicContact CD1-CG 3.96Å | ||
| 29 | T | 94.8 | Very high | 94.8 | Very high | 140 Ų | 140 | 71.9 Ų | 71.9 | 86% | 0.859 | 45% | 0.448 | S | S | * | . | trans | -126.5 | 148.7 | 177.1 | 57.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 30 | T | 95.3 | Very high | 95.5 | Very high | 63 Ų | 63 | 63.8 Ų | 63.8 | 39% | 0.387 | 41% | 0.411 | S | S | . | . | trans | -149.9 | 157.9 | 176.5 | -163.9 | 0 | 0 | 0 | 0 | 109.7 | T35 V36 A98 | T30-T35 PolarHBondContact OG1-O 3.32Å; T30-V36 HydrophobicContact CG2-CB 4.16Å; T30-V36 HydrophobicContact CG2-CG1 4.32Å; T30-A98 HydrophobicContact CG2-CB 3.59Å | ||
| 31 | S | 95.4 | Very high | 96 | Very high | 79 Ų | 79 | 68.3 Ų | 68.3 | 55% | 0.552 | 42% | 0.42 | S | S | * | . | trans | -77 | 154.8 | 173.9 | 57.2 | 0 | 0 | 0 | 0 | 110.7 | G33 G34 | S31-G33 PolarHBondContact O-N 3.47Å; S31-G34 WeakPolarHBondContact O-CA 3.31Å; S31-G34 PolarHBondContact O-N 2.98Å | ||
| 32 | P | 96.1 | Very high | 96.2 | Very high | 119 Ų | 119 | 65.2 Ų | 65.2 | 77% | 0.773 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 134 | 170.2 | -26.2 | 35.1 | 0 | 0 | 0 | 111.4 | G34 | P32-G34 PolarHBondContact O-N 2.9Š|
| 33 | G | 97.3 | Very high | 96 | Very high | 55 Ų | 55 | 65.9 Ų | 65.9 | 57% | 0.567 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | -6.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115 | S31 G97 A98 | S31-G33 PolarHBondContact O-N 3.47Å; G33-G97 WeakPolarHBondContact O-CA 3.19Å; G33-A98 PolarHBondContact N-O 3.37Å |
| 34 | G | 98.1 | Very high | 95.7 | Very high | 15 Ų | 15 | 67 Ų | 67 | 16% | 0.155 | 42% | 0.416 | C | S | . | . | trans | -69.9 | 175.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | S31 P32 G97 A98 | S31-G34 WeakPolarHBondContact O-CA 3.31Å; S31-G34 PolarHBondContact O-N 2.98Å; P32-G34 PolarHBondContact O-N 2.9Å; G34-G97 PolarHBondContact O-N 3.41Å; G34-A98 PolarHBondContact O-N 2.85Å | ||
| 35 | T | 98.1 | Very high | 95.4 | Very high | 78 Ų | 78 | 66 Ų | 66 | 48% | 0.479 | 42% | 0.423 | S | S | . | . | trans | -111.6 | 137.2 | 172.4 | -61.2 | 0 | 0 | 0 | 0 | 109.3 | T30 I37 T94 I95 T96 | T30-T35 PolarHBondContact OG1-O 3.32Å; T35-I37 HydrophobicContact CG2-CG1 4.37Å; T35-T94 HydrophobicContact CG2-CG2 3.89Å; T35-I95 VanDerWaalsContact CA-O 3.3Å; T35-I95 WeakPolarHBondContact CA-O 3.26Å; T35-T96 HydrophobicContact CG2-CG2 4.02Å | ||
| 36 | V | 97.4 | Very high | 95.4 | Very high | 23 Ų | 23 | 65.5 Ų | 65.5 | 14% | 0.139 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 142.1 | 170.8 | 61.4 | 0 | 0 | 0 | 0 | 109.3 | L28 T30 L38 T94 I95 | L28-V36 HydrophobicContact CB-CG2 3.9Å; L28-V36 HydrophobicContact CD1-CG2 3.99Å; T30-V36 HydrophobicContact CG2-CB 4.16Å; T30-V36 HydrophobicContact CG2-CG1 4.32Å; V36-L38 HydrophobicContact CG1-CD1 4.38Å; V36-L38 HydrophobicContact CG2-CD1 4.38Å; V36-T94 WeakPolarHBondContact O-CA 3.45Å; V36-I95 HydrophobicContact CG1-CB 3.79Å; V36-I95 HydrophobicContact CG1-CD1 4.04Å; V36-I95 HydrophobicContact CG1-CG1 4.17Å; V36-I95 PolarHBondContact N-O 3.36Å; V36-I95 PolarHBondContact O-N 3.37Å |
| 37 | I | 98.1 | Very high | 95.5 | Very high | 78 Ų | 78 | 59.6 Ų | 59.6 | 40% | 0.4 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 112.6 | 178.6 | -55.1 | 177 | 0 | 0 | 0 | 107.3 | T35 T39 I87 A92 L93 T94 | T35-I37 HydrophobicContact CG2-CG1 4.37Å; I37-T39 HydrophobicContact CG2-CG2 4.39Å; I37-I87 HydrophobicContact CG2-CD1 3.83Å; I37-A92 HydrophobicContact CG2-CB 4.05Å; I37-L93 CarbonylContact C-O 3.15Å; I37-L93 WeakPolarHBondContact CA-O 2.93Å; I37-T94 HydrophobicContact CG1-CG2 4.13Å |
| 38 | L | 97.9 | Very high | 95.5 | Very high | 15 Ų | 15 | 58 Ų | 58 | 8% | 0.079 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 141.1 | 172.5 | -57.7 | 84.8 | 0 | 0 | 0 | 108.4 | L28 V36 W55 A92 L93 I95 Y106 | L28-L38 HydrophobicContact CD1-CB 4.42Å; L28-L38 HydrophobicContact CD1-CG 3.96Å; V36-L38 HydrophobicContact CG1-CD1 4.38Å; V36-L38 HydrophobicContact CG2-CD1 4.38Å; L38-W55 HydrophobicContact CB-CH2 3.7Å; L38-W55 HydrophobicContact CB-CZ3 3.81Å; L38-W55 HydrophobicContact CD2-CZ3 4.33Å; L38-A92 CarbonylContact O-C 3.57Å; L38-A92 VanDerWaalsContact O-CA 3.23Å; L38-A92 WeakPolarHBondContact O-CA 3.48Å; L38-L93 HydrophobicContact CB-CB 4.37Å; L38-L93 HydrophobicContact CD1-CB 4.44Å; L38-L93 HydrophobicContact CD1-CD2 4.18Å; L38-L93 HydrophobicContact CD1-CG 4.34Å; L38-L93 PolarHBondContact N-O 2.85Å; L38-L93 PolarHBondContact O-N 2.99Å; L38-I95 HydrophobicContact CD1-CD1 3.99Å; L38-I95 HydrophobicContact CD1-CG1 4.36Å; L38-Y106 HydrophobicContact CD2-CD2 4.14Å; L38-Y106 HydrophobicContact CD2-CG 3.87Å |
| 39 | T | 98 | Very high | 95.4 | Very high | 22 Ų | 22 | 59 Ų | 59 | 14% | 0.135 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 150.4 | 176.4 | 78.5 | 0 | 0 | 0 | 0 | 112.7 | Q24 E25 I37 A91 | Q24-T39 VanDerWaalsContact CA-O 3.26Å; Q24-T39 WeakPolarHBondContact CA-O 3.26Å; Q24-T39 VanDerWaalsContact CB-O 3.26Å; Q24-T39 WeakPolarHBondContact CB-O 3.39Å; E25-T39 WeakPolarHBondContact OE1-CB 3.48Å; E25-T39 PolarHBondContact OE1-N 3.33Å; E25-T39 PolarHBondContact OE1-OG1 3.26Å; E25-T39 PolarHBondContact OE2-N 2.95Å; E25-T39 VanDerWaalsContact OE2-O 3.11Å; I37-T39 HydrophobicContact CG2-CG2 4.39Å; T39-A91 CarbonylContact C-O 3.6Å; T39-A91 VanDerWaalsContact CA-O 3.26Å; T39-A91 WeakPolarHBondContact CA-O 3.29Å |
| 40 | C | 96.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 126.5 | -177.7 | -180 | 0 | 0 | 0 | 0 | 109.7 | V22 T23 W55 K90 A91 C108 | V22-C40 WeakPolarHBondContact CG1-SG 3.48Å; T23-C40 WeakPolarHBondContact O-CA 3.5Å; C40-W55 HydrophobicContact CB-CH2 3.87Å; C40-W55 HydrophobicContact CB-CZ2 3.82Å; C40-K90 WeakPolarHBondContact O-CA 2.97Å; C40-K90 WeakPolarHBondContact O-CB 3.32Å; C40-A91 HydrophobicContact CB-CB 4.26Å; C40-A91 PolarHBondContact N-O 2.89Å; C40-A91 PolarHBondContact O-N 2.95Å; C40-C108 HydrophobicContact CB-CB 3.45Å; C40-C108 VanDerWaalsContact CB-CB 3.45Å; C40-C108 WeakPolarHBondContact CB-SG 3.47Å; C40-C108 WeakPolarHBondContact SG-CB 3.48Å; C40-C108 CovalentContact SG-SG 2.02Å; C40-C108 PolarHBondContact SG-SG 2.95Å |
| 41 | R | 96.2 | Very high | 95.1 | Very high | 133 Ų | 133 | 54.8 Ų | 54.8 | 50% | 0.502 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 154.7 | 179.3 | 69.7 | 174.9 | -175.3 | 154.5 | -0 | 112.2 | V22 T23 K90 | V22-R41 WeakPolarHBondContact CA-O 3.3Å; T23-R41 PolarHBondContact N-O 3.45Å; T23-R41 PolarHBondContact O-N 3.41Å; R41-K90 HydrophobicContact CB-CD 4.35Å; R41-K90 HydrophobicContact CB-CG 4.05Å |
| 42 | S | 95 | Very high | 95 | Very high | 15 Ų | 15 | 54 Ų | 54 | 11% | 0.105 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 146.5 | 170.7 | -179.9 | 0 | 0 | 0 | 0 | 111.4 | T44 G45 Y112 | S42-T44 PolarHBondContact O-N 3.2Å; S42-T44 PolarHBondContact OG-N 2.95Å; S42-T44 PolarHBondContact OG-OG1 2.88Å; S42-G45 WeakPolarHBondContact CB-O 3.36Å; S42-Y112 VanDerWaalsContact CB-OH 3.25Å; S42-Y112 WeakPolarHBondContact CB-OH 3.43Å; S42-Y112 PolarHBondContact OG-OH 3.3Å |
| 43 | S | 92.3 | Very high | 95 | Very high | 74 Ų | 74 | 48.4 Ų | 48.4 | 52% | 0.517 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -73.6 | -12.6 | 167.1 | 66.5 | 0 | 0 | 0 | 0 | 113.9 | V21 | V21-S43 PolarHBondContact N-OG 2.8Å; V21-S43 PolarHBondContact O-N 2.92Å |
| 44 | T | 89.1 | Confident | 94.9 | Very high | 84 Ų | 84 | 48.2 Ų | 48.2 | 52% | 0.515 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -110.2 | -1.5 | -170.1 | 57.5 | 0 | 0 | 0 | 0 | 114.2 | A20 S42 | A20-T44 HydrophobicContact CB-CG2 3.71Å; S42-T44 PolarHBondContact O-N 3.2Å; S42-T44 PolarHBondContact OG-N 2.95Å; S42-T44 PolarHBondContact OG-OG1 2.88Å |
| 45 | G | 90.6 | Very high | 94.9 | Very high | 42 Ų | 42 | 47.6 Ų | 47.6 | 43% | 0.433 | 28% | 0.281 | S | S | . | . | S | Bend | trans | 156.4 | -172.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | S42 | S42-G45 WeakPolarHBondContact CB-O 3.36Š|
| 46 | A | 94.7 | Very high | 94.9 | Very high | 49 Ų | 49 | 45.9 Ų | 45.9 | 41% | 0.405 | 27% | 0.271 | S | S | . | . | trans | -72.8 | 138.8 | 180 | 0 | 0 | 0 | 0 | 0 | 112.1 | T48 D89 | A46-T48 HydrophobicContact CB-CG2 4.18Å; A46-D89 HydrophobicContact CB-CB 3.82Å | ||
| 47 | V | 95.3 | Very high | 94.8 | Very high | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | trans | -78.3 | 126.1 | 165.3 | -173 | 0 | 0 | 0 | 0 | 107.9 | N51 A53 L86 D89 A91 L110 | V47-N51 CarbonylContact C-O 3.57Å; V47-N51 WeakPolarHBondContact CA-O 3.44Å; V47-N51 VanDerWaalsContact CG1-O 3.27Å; V47-N51 WeakPolarHBondContact CG1-O 3.32Å; V47-A53 HydrophobicContact CG1-CB 4.45Å; V47-L86 HydrophobicContact CB-CD2 4.48Å; V47-L86 HydrophobicContact CG1-CD2 4.1Å; V47-D89 WeakPolarHBondContact CB-O 3.17Å; V47-D89 PolarHBondContact N-O 2.62Å; V47-A91 HydrophobicContact CG1-CB 3.8Å; V47-L110 HydrophobicContact CG1-CD2 3.9Å; V47-L110 HydrophobicContact CG2-CD1 3.9Å; V47-L110 HydrophobicContact CG2-CD2 3.88Å | ||
| 48 | T | 95.1 | Very high | 94.7 | Very high | 49 Ų | 49 | 43.4 Ų | 43.4 | 30% | 0.301 | 26% | 0.256 | S | S | . | . | trans | -134.1 | -174.6 | -176.1 | 70.1 | 0 | 0 | 0 | 0 | 110.2 | A46 S50 N51 Y52 T71 | A46-T48 HydrophobicContact CB-CG2 4.18Å; T48-S50 PolarHBondContact O-N 3.33Å; T48-S50 PolarHBondContact OG1-N 3.44Å; T48-S50 VanDerWaalsContact OG1-N 3.12Å; T48-N51 PolarHBondContact N-O 2.8Å; T48-N51 CarbonylContact O-C 3.54Å; T48-N51 VanDerWaalsContact O-C 3.29Å; T48-N51 VanDerWaalsContact O-O 3.11Å; T48-N51 PolarHBondContact OG1-N 2.86Å; T48-Y52 WeakPolarHBondContact O-CA 3.34Å; T48-Y52 WeakPolarHBondContact O-CB 3.37Å; T48-Y52 PolarHBondContact O-N 3.1Å; T48-T71 PolarHBondContact O-OG1 3.39Å | ||
| 49 | T | 92.8 | Very high | 94.1 | Very high | 102 Ų | 102 | 47 Ų | 47 | 63% | 0.626 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -71.5 | -15.9 | 169.5 | 50 | 0 | 0 | 0 | 0 | 113.3 | Y52 | T49-Y52 WeakPolarHBondContact O-CD1 3.4Š|
| 50 | S | 90.9 | Very high | 93.5 | Very high | 66 Ų | 66 | 51.6 Ų | 51.6 | 46% | 0.462 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -96.2 | -33.4 | 175 | -53.7 | 0 | 0 | 0 | 0 | 112.6 | T48 S113 | T48-S50 PolarHBondContact O-N 3.33Å; T48-S50 PolarHBondContact OG1-N 3.44Å; T48-S50 VanDerWaalsContact OG1-N 3.12Å; S50-S113 WeakPolarHBondContact O-CB 3.47Å; S50-S113 PolarHBondContact O-N 2.82Å |
| 51 | N | 92 | Very high | 93 | Very high | 49 Ų | 49 | 56 Ų | 56 | 26% | 0.262 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 77.3 | 171.9 | -66 | -34.1 | 0 | 0 | 0 | 108.3 | V47 T48 W111 Y112 S113 | V47-N51 CarbonylContact C-O 3.57Å; V47-N51 WeakPolarHBondContact CA-O 3.44Å; V47-N51 VanDerWaalsContact CG1-O 3.27Å; V47-N51 WeakPolarHBondContact CG1-O 3.32Å; T48-N51 PolarHBondContact N-O 2.8Å; T48-N51 CarbonylContact O-C 3.54Å; T48-N51 VanDerWaalsContact O-C 3.29Å; T48-N51 VanDerWaalsContact O-O 3.11Å; T48-N51 PolarHBondContact OG1-N 2.86Å; N51-W111 CarbonylContact C-O 3.5Å; N51-W111 VanDerWaalsContact CA-O 3.26Å; N51-W111 WeakPolarHBondContact CA-O 3.42Å; N51-Y112 HydrophobicContact CB-CD1 4.19Å; N51-Y112 WeakPolarHBondContact OD1-CA 3.43Å; N51-S113 PolarHBondContact OD1-N 3.07Å; N51-S113 VanDerWaalsContact OD1-N 3.12Å |
| 52 | Y | 93.4 | Very high | 92.4 | Very high | 64 Ų | 64 | 56.1 Ų | 56.1 | 25% | 0.251 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 159 | -161.4 | 54 | -96.8 | 0 | 0 | 0 | 113.3 | T48 T49 G70 T71 L110 W111 | T48-Y52 WeakPolarHBondContact O-CA 3.34Å; T48-Y52 WeakPolarHBondContact O-CB 3.37Å; T48-Y52 PolarHBondContact O-N 3.1Å; T49-Y52 WeakPolarHBondContact O-CD1 3.4Å; Y52-G70 VanDerWaalsContact CD2-CA 3.45Å; Y52-T71 WeakPolarHBondContact CB-OG1 3.18Å; Y52-L110 WeakPolarHBondContact O-CA 3.42Å; Y52-W111 HydrophobicContact CD2-CB 4.11Å; Y52-W111 HydrophobicContact CE1-CB 4.46Å; Y52-W111 AromaticContact CE1-CD1 3.92Å; Y52-W111 HydrophobicContact CE1-CG 4.45Å; Y52-W111 HydrophobicContact CE2-CB 3.72Å; Y52-W111 HydrophobicContact CE2-CG 4.2Å; Y52-W111 AromaticContact CZ-CD1 3.74Å; Y52-W111 AromaticContact CZ-CG 3.92Å; Y52-W111 PolarHBondContact N-O 2.93Å; Y52-W111 VanDerWaalsContact N-O 3.07Å; Y52-W111 PolarHBondContact O-N 3.5Å |
| 53 | A | 95.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 149 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V47 T71 A91 A109 L110 | V47-A53 HydrophobicContact CG1-CB 4.45Å; A53-T71 PolarHBondContact O-N 2.88Å; A53-A91 HydrophobicContact CB-CB 3.28Å; A53-A109 CarbonylContact C-O 3.36Å; A53-A109 WeakPolarHBondContact CA-O 3.33Å; A53-L110 HydrophobicContact CB-CD2 3.63Å |
| 54 | N | 97 | Very high | 92.2 | Very high | 51 Ų | 51 | 63.3 Ų | 63.3 | 27% | 0.273 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 140.7 | 157.9 | -53 | -81.7 | 0 | 0 | 0 | 107.7 | I68 G69 G70 C108 A109 | N54-I68 CarbonylContact C-O 3.58Å; N54-I68 VanDerWaalsContact CA-O 3.27Å; N54-I68 WeakPolarHBondContact CA-O 3.27Å; N54-G69 WeakPolarHBondContact OD1-CA 3.39Å; N54-G70 PolarHBondContact OD1-N 2.91Å; N54-C108 WeakPolarHBondContact O-CA 3.28Å; N54-A109 PolarHBondContact N-O 3.14Å; N54-A109 PolarHBondContact O-N 3.44Å |
| 55 | W | 97.9 | Very high | 92.4 | Very high | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.008 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 131.6 | 179 | -71.5 | 96.7 | 0 | 0 | 0 | 109.8 | L38 C40 L67 I68 A91 L93 C108 | L38-W55 HydrophobicContact CB-CH2 3.7Å; L38-W55 HydrophobicContact CB-CZ3 3.81Å; L38-W55 HydrophobicContact CD2-CZ3 4.33Å; C40-W55 HydrophobicContact CB-CH2 3.87Å; C40-W55 HydrophobicContact CB-CZ2 3.82Å; W55-L67 HydrophobicContact CB-CB 4.21Å; W55-L67 PolarHBondContact O-N 2.79Å; W55-I68 HydrophobicContact CB-CB 4.27Å; W55-I68 PolarHBondContact N-O 3.29Å; W55-I68 PolarHBondContact O-N 3.24Å; W55-A91 HydrophobicContact CZ2-CB 4.41Å; W55-L93 HydrophobicContact CB-CD1 4.4Å; W55-L93 HydrophobicContact CB-CD2 4.22Å; W55-L93 HydrophobicContact CD2-CB 3.48Å; W55-L93 VanDerWaalsContact CD2-CB 3.48Å; W55-L93 HydrophobicContact CD2-CD2 3.96Å; W55-L93 HydrophobicContact CD2-CG 4.23Å; W55-L93 VanDerWaalsContact CE2-CB 3.46Å; W55-L93 HydrophobicContact CE3-CB 3.79Å; W55-L93 HydrophobicContact CE3-CD2 3.74Å; W55-L93 HydrophobicContact CE3-CG 4.39Å; W55-L93 HydrophobicContact CG-CB 3.92Å; W55-L93 HydrophobicContact CG-CD1 4.29Å; W55-L93 HydrophobicContact CG-CD2 4.18Å; W55-L93 HydrophobicContact CG-CG 4.37Å; W55-L93 HydrophobicContact CH2-CB 4.04Å; W55-L93 HydrophobicContact CZ2-CB 3.76Å; W55-L93 HydrophobicContact CZ3-CB 4.05Å; W55-L93 HydrophobicContact CZ3-CD2 4.36Å; W55-C108 HydrophobicContact CD2-CB 4.22Å; W55-C108 HydrophobicContact CE3-CB 3.99Å; W55-C108 HydrophobicContact CH2-CB 4.1Å; W55-C108 HydrophobicContact CZ2-CB 4.31Å; W55-C108 HydrophobicContact CZ3-CB 3.93Å |
| 56 | V | 97 | Very high | 92.7 | Very high | 43 Ų | 43 | 61.3 Ų | 61.3 | 26% | 0.261 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 147.2 | 176.1 | -59.2 | 0 | 0 | 0 | 0 | 110 | F64 T65 Y106 F107 | V56-F64 HydrophobicContact CG2-CD1 4.4Å; V56-T65 CarbonylContact C-O 3.58Å; V56-T65 VanDerWaalsContact CA-O 3.32Å; V56-T65 WeakPolarHBondContact CA-O 3.21Å; V56-Y106 WeakPolarHBondContact O-CA 3.45Å; V56-F107 HydrophobicContact CG2-CB 3.72Å; V56-F107 HydrophobicContact CG2-CD2 4.34Å; V56-F107 PolarHBondContact N-O 3.01Å; V56-F107 PolarHBondContact O-N 3.34Å |
| 57 | Q | 96.4 | Very high | 92.9 | Very high | 11 Ų | 11 | 59.1 Ų | 59.1 | 5% | 0.051 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 130.3 | 173.7 | -172.9 | -175.5 | 23 | 0 | 0 | 108.6 | F64 T65 L67 A104 M105 Y106 | Q57-F64 CarbonylContact O-C 3.53Å; Q57-F64 WeakPolarHBondContact O-CA 3.34Å; Q57-T65 PolarHBondContact N-O 2.83Å; Q57-T65 PolarHBondContact O-N 3.31Å; Q57-L67 HydrophobicContact CB-CD1 3.94Å; Q57-L67 HydrophobicContact CB-CD2 4.14Å; Q57-L67 HydrophobicContact CB-CG 4.05Å; Q57-A104 HydrophobicContact CG-CB 3.68Å; Q57-A104 VanDerWaalsContact NE2-CB 3.33Å; Q57-M105 CarbonylContact C-O 3.29Å; Q57-M105 WeakPolarHBondContact CA-O 3.36Å; Q57-Y106 HydrophobicContact CB-CD1 4.16Å; Q57-Y106 HydrophobicContact CB-CE1 4.07Å; Q57-Y106 HydrophobicContact CG-CD1 4.16Å; Q57-Y106 HydrophobicContact CG-CE1 3.77Å; Q57-Y106 PolarHBondContact NE2-OH 2.92Å; Q57-Y106 VanDerWaalsContact NE2-OH 3.16Å |
| 58 | E | 94.9 | Very high | 93.1 | Very high | 38 Ų | 38 | 59.2 Ų | 59.2 | 18% | 0.178 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 115.5 | 165.6 | -179.6 | -175.5 | -171.1 | 0 | 0 | 108.3 | H62 F64 A104 M105 F107 | E58-H62 IonicContact OE1-CE1 3.45Å; E58-H62 IonicContact OE1-CG 2.84Å; E58-H62 IonicContact OE1-ND1 3.82Å; E58-H62 PolarHBondContact OE1-ND1 2.63Å; E58-F64 HydrophobicContact CB-CD1 4.06Å; E58-F64 HydrophobicContact CB-CE1 3.79Å; E58-F64 HydrophobicContact CB-CZ 4.31Å; E58-F64 HydrophobicContact CG-CE1 4.15Å; E58-F64 HydrophobicContact CG-CZ 4.16Å; E58-A104 WeakPolarHBondContact O-CB 3.42Å; E58-M105 HydrophobicContact CB-CB 4.15Å; E58-M105 PolarHBondContact N-O 3.16Å; E58-M105 PolarHBondContact O-N 2.98Å; E58-F107 HydrophobicContact CB-CE2 3.91Å; E58-F107 WeakPolarHBondContact OE2-CE2 3.32Å |
| 59 | K | 85.4 | Confident | 93.1 | Very high | 89 Ų | 89 | 57.9 Ų | 57.9 | 39% | 0.387 | 32% | 0.32 | S | S | . | . | trans | -79.7 | 165.1 | 177 | -71.7 | -177.4 | -177.6 | -178.6 | 0 | 110.9 | D61 H62 L63 | K59-D61 WeakPolarHBondContact CB-OD1 3.29Å; K59-D61 PolarHBondContact O-N 2.82Å; K59-H62 PolarHBondContact O-N 2.88Å; K59-L63 PolarHBondContact N-O 3.25Å; K59-L63 VanDerWaalsContact N-O 3.1Å | ||
| 60 | P | 85 | Confident | 93.1 | Very high | 119 Ų | 119 | 54 Ų | 54 | 77% | 0.773 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -17.5 | -179.4 | -27.7 | 35.9 | 0 | 0 | 0 | 115.7 | H62 | P60-H62 VanDerWaalsContact C-N 3.29Š|
| 61 | D | 86.4 | Confident | 93.2 | Very high | 92 Ų | 92 | 51.2 Ų | 51.2 | 49% | 0.492 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 10.5 | 174.6 | 60.5 | -1.3 | 0 | 0 | 0 | 113.7 | K59 L63 | K59-D61 WeakPolarHBondContact CB-OD1 3.29Å; K59-D61 PolarHBondContact O-N 2.82Å; D61-L63 HydrophobicContact CB-CG 4.5Å; D61-L63 PolarHBondContact O-N 3.15Å; D61-L63 WeakPolarHBondContact OD1-CB 3.33Å; D61-L63 PolarHBondContact OD1-N 2.89Å; D61-L63 VanDerWaalsContact OD1-N 3.14Å; D61-L63 WeakPolarHBondContact OD2-CD1 3.15Å |
| 62 | H | 84.3 | Confident | 93.4 | Very high | 136 Ų | 136 | 52.4 Ų | 52.4 | 63% | 0.63 | 29% | 0.293 | S | S | * | . | S | Bend | trans | 61 | 19 | -175.4 | -59 | -67.2 | 0 | 0 | 0 | 114.6 | E58 K59 P60 | E58-H62 IonicContact OE1-CE1 3.45Å; E58-H62 IonicContact OE1-CG 2.84Å; E58-H62 IonicContact OE1-ND1 3.82Å; E58-H62 PolarHBondContact OE1-ND1 2.63Å; K59-H62 PolarHBondContact O-N 2.88Å; P60-H62 VanDerWaalsContact C-N 3.29Å |
| 63 | L | 89.5 | Confident | 93.6 | Very high | 106 Ų | 106 | 54.5 Ų | 54.5 | 56% | 0.555 | 31% | 0.309 | S | S | * | . | trans | -86.5 | 125.6 | 172.5 | -62.4 | -176.9 | 0 | 0 | 0 | 110.6 | K59 D61 | K59-L63 PolarHBondContact N-O 3.25Å; K59-L63 VanDerWaalsContact N-O 3.1Å; D61-L63 HydrophobicContact CB-CG 4.5Å; D61-L63 PolarHBondContact O-N 3.15Å; D61-L63 WeakPolarHBondContact OD1-CB 3.33Å; D61-L63 PolarHBondContact OD1-N 2.89Å; D61-L63 VanDerWaalsContact OD1-N 3.14Å; D61-L63 WeakPolarHBondContact OD2-CD1 3.15Å | ||
| 64 | F | 92.6 | Very high | 93.7 | Very high | 134 Ų | 134 | 59.8 Ų | 59.8 | 59% | 0.588 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 124 | 174 | -68.3 | -86.9 | 0 | 0 | 0 | 110.6 | V56 Q57 E58 F107 | V56-F64 HydrophobicContact CG2-CD1 4.4Å; Q57-F64 CarbonylContact O-C 3.53Å; Q57-F64 WeakPolarHBondContact O-CA 3.34Å; E58-F64 HydrophobicContact CB-CD1 4.06Å; E58-F64 HydrophobicContact CB-CE1 3.79Å; E58-F64 HydrophobicContact CB-CZ 4.31Å; E58-F64 HydrophobicContact CG-CE1 4.15Å; E58-F64 HydrophobicContact CG-CZ 4.16Å; F64-F107 HydrophobicContact CE1-CD2 4.13Å; F64-F107 HydrophobicContact CE1-CE2 4.05Å |
| 65 | T | 94.3 | Very high | 93.8 | Very high | 45 Ų | 45 | 58.8 Ų | 58.8 | 28% | 0.276 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 126.9 | 174.3 | -54.7 | 0 | 0 | 0 | 0 | 109.5 | V56 Q57 | V56-T65 CarbonylContact C-O 3.58Å; V56-T65 VanDerWaalsContact CA-O 3.32Å; V56-T65 WeakPolarHBondContact CA-O 3.21Å; Q57-T65 PolarHBondContact N-O 2.83Å; Q57-T65 PolarHBondContact O-N 3.31Å |
| 66 | G | 96.9 | Very high | 93.7 | Very high | 39 Ų | 39 | 65.1 Ų | 65.1 | 40% | 0.402 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 131.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111 | A75 V78 | G66-A75 WeakPolarHBondContact O-CB 3.23Å; G66-V78 VanDerWaalsContact O-CG2 3.31Å; G66-V78 WeakPolarHBondContact O-CG2 3.17Å |
| 67 | L | 98 | Very high | 93.6 | Very high | 3 Ų | 3 | 67.2 Ų | 67.2 | 2% | 0.016 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | -61.4 | 179.8 | -62.5 | -179.3 | 0 | 0 | 0 | 111.7 | W55 Q57 A75 V78 F82 L93 Y106 | W55-L67 HydrophobicContact CB-CB 4.21Å; W55-L67 PolarHBondContact O-N 2.79Å; Q57-L67 HydrophobicContact CB-CD1 3.94Å; Q57-L67 HydrophobicContact CB-CD2 4.14Å; Q57-L67 HydrophobicContact CB-CG 4.05Å; L67-A75 PolarHBondContact O-N 3.26Å; L67-V78 HydrophobicContact CD2-CG1 4.06Å; L67-V78 HydrophobicContact CD2-CG2 4.3Å; L67-F82 HydrophobicContact CD1-CD1 4Å; L67-F82 HydrophobicContact CD1-CE1 4.06Å; L67-F82 HydrophobicContact CD2-CD1 4.34Å; L67-F82 HydrophobicContact CD2-CE1 4.37Å; L67-L93 HydrophobicContact CD1-CD1 4.49Å; L67-L93 HydrophobicContact CD1-CD2 3.77Å; L67-Y106 HydrophobicContact CD1-CD1 3.74Å; L67-Y106 HydrophobicContact CD1-CE1 3.68Å |
| 68 | I | 98.5 | Very high | 93.7 | Very high | 5 Ų | 5 | 67.4 Ų | 67.4 | 3% | 0.026 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 132.2 | -176.9 | -48.6 | -66 | 0 | 0 | 0 | 108.6 | N54 W55 N73 R74 L93 | N54-I68 CarbonylContact C-O 3.58Å; N54-I68 VanDerWaalsContact CA-O 3.27Å; N54-I68 WeakPolarHBondContact CA-O 3.27Å; W55-I68 HydrophobicContact CB-CB 4.27Å; W55-I68 PolarHBondContact N-O 3.29Å; W55-I68 PolarHBondContact O-N 3.24Å; I68-N73 CarbonylContact C-O 3.53Å; I68-N73 WeakPolarHBondContact CA-O 3.48Å; I68-R74 HydrophobicContact CD1-CB 3.83Å; I68-R74 HydrophobicContact CD1-CG 4.05Å; I68-L93 HydrophobicContact CG1-CD1 3.7Å |
| 69 | G | 96.5 | Very high | 93.8 | Very high | 21 Ų | 21 | 68 Ų | 68 | 22% | 0.216 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 156.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | N54 T71 N73 | N54-G69 WeakPolarHBondContact OD1-CA 3.39Å; G69-T71 VanDerWaalsContact C-N 3.34Å; G69-T71 PolarHBondContact O-N 2.93Å; G69-N73 PolarHBondContact N-O 2.88Å; G69-N73 WeakPolarHBondContact O-CA 3.37Å; G69-N73 WeakPolarHBondContact O-CB 3.43Å; G69-N73 PolarHBondContact O-N 2.84Å; G69-N73 PolarHBondContact O-ND2 2.93Å |
| 70 | G | 92.8 | Very high | 94.4 | Very high | 22 Ų | 22 | 69.4 Ų | 69.4 | 23% | 0.227 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 44.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y52 N54 S72 N73 | Y52-G70 VanDerWaalsContact CD2-CA 3.45Å; N54-G70 PolarHBondContact OD1-N 2.91Å; G70-S72 PolarHBondContact O-N 2.81Å; G70-N73 PolarHBondContact O-ND2 2.9Å |
| 71 | T | 92.7 | Very high | 95 | Very high | 7 Ų | 7 | 65.3 Ų | 65.3 | 4% | 0.043 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | -45.9 | -178 | -56.4 | 0 | 0 | 0 | 0 | 115.9 | T48 Y52 A53 G69 G84 S85 L86 | T48-T71 PolarHBondContact O-OG1 3.39Å; Y52-T71 WeakPolarHBondContact CB-OG1 3.18Å; A53-T71 PolarHBondContact O-N 2.88Å; G69-T71 VanDerWaalsContact C-N 3.34Å; G69-T71 PolarHBondContact O-N 2.93Å; T71-G84 CarbonylContact O-C 3.58Å; T71-G84 WeakPolarHBondContact O-CA 3.33Å; T71-S85 PolarHBondContact O-N 2.02Å; T71-L86 HydrophobicContact CG2-CD1 4.19Å; T71-L86 HydrophobicContact CG2-CD2 3.78Å; T71-L86 HydrophobicContact CG2-CG 3.63Å |
| 72 | S | 96.3 | Very high | 95.6 | Very high | 73 Ų | 73 | 61 Ų | 61 | 51% | 0.51 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.6 | -4.1 | -171 | 59.9 | 0 | 0 | 0 | 0 | 115.5 | G70 R74 G84 | G70-S72 PolarHBondContact O-N 2.81Å; S72-R74 PolarHBondContact O-N 2.85Å; S72-R74 VanDerWaalsContact O-N 3.12Å; S72-G84 WeakPolarHBondContact CB-O 3.43Å |
| 73 | N | 97.3 | Very high | 96.2 | Very high | 108 Ų | 108 | 57 Ų | 57 | 58% | 0.578 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 102.9 | -178 | -53.8 | -64.6 | 0 | 0 | 0 | 110.2 | I68 G69 G70 A75 | I68-N73 CarbonylContact C-O 3.53Å; I68-N73 WeakPolarHBondContact CA-O 3.48Å; G69-N73 PolarHBondContact N-O 2.88Å; G69-N73 WeakPolarHBondContact O-CA 3.37Å; G69-N73 WeakPolarHBondContact O-CB 3.43Å; G69-N73 PolarHBondContact O-N 2.84Å; G69-N73 PolarHBondContact O-ND2 2.93Å; G70-N73 PolarHBondContact O-ND2 2.9Å; N73-A75 PolarHBondContact O-N 2.57Å |
| 74 | R | 98.2 | Very high | 96.6 | Very high | 112 Ų | 112 | 52.4 Ų | 52.4 | 42% | 0.423 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 130.5 | 175.2 | -176.8 | 171.3 | 66 | -125.4 | -4.5 | 110.8 | I68 S72 V78 P79 V80 F82 | I68-R74 HydrophobicContact CD1-CB 3.83Å; I68-R74 HydrophobicContact CD1-CG 4.05Å; S72-R74 PolarHBondContact O-N 2.85Å; S72-R74 VanDerWaalsContact O-N 3.12Å; R74-V78 WeakPolarHBondContact CD-O 3.26Å; R74-V78 HydrophobicContact CG-CB 3.63Å; R74-V78 HydrophobicContact CG-CG1 3.77Å; R74-V78 PolarHBondContact NE-O 3.46Å; R74-P79 WeakPolarHBondContact CD-O 3.47Å; R74-V80 PolarHBondContact NH1-O 2.84Å; R74-F82 WeakPolarHBondContact CD-O 3.29Å; R74-F82 PolarHBondContact NH1-O 2.81Å |
| 75 | A | 97.9 | Very high | 96.9 | Very high | 30 Ų | 30 | 48.1 Ų | 48.1 | 25% | 0.248 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 152.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | G66 L67 N73 G77 V78 | G66-A75 WeakPolarHBondContact O-CB 3.23Å; L67-A75 PolarHBondContact O-N 3.26Å; N73-A75 PolarHBondContact O-N 2.57Å; A75-G77 PolarHBondContact O-N 3.12Å; A75-V78 HydrophobicContact CB-CG2 3.85Å; A75-V78 WeakPolarHBondContact O-CB 3.44Å; A75-V78 WeakPolarHBondContact O-CG2 3.26Å; A75-V78 PolarHBondContact O-N 2.81Å |
| 76 | P | 96.4 | Very high | 97.1 | Very high | 134 Ų | 134 | 49 Ų | 49 | 87% | 0.87 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 137 | 176.5 | -25 | 34.7 | 0 | 0 | 0 | 112.2 | V78 | P76-V78 PolarHBondContact O-N 3.4Š|
| 77 | G | 95.6 | Very high | 97.1 | Very high | 87 Ų | 87 | 51.1 Ų | 51.1 | 90% | 0.897 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | -8.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | A75 | A75-G77 PolarHBondContact O-N 3.12Š|
| 78 | V | 97.2 | Very high | 97 | Very high | 16 Ų | 16 | 54.5 Ų | 54.5 | 10% | 0.097 | 36% | 0.362 | C | S | . | . | trans | -74.4 | 130.6 | 174.8 | 178.3 | 0 | 0 | 0 | 0 | 109.7 | G66 L67 R74 A75 P76 F82 | G66-V78 VanDerWaalsContact O-CG2 3.31Å; G66-V78 WeakPolarHBondContact O-CG2 3.17Å; L67-V78 HydrophobicContact CD2-CG1 4.06Å; L67-V78 HydrophobicContact CD2-CG2 4.3Å; R74-V78 WeakPolarHBondContact CD-O 3.26Å; R74-V78 HydrophobicContact CG-CB 3.63Å; R74-V78 HydrophobicContact CG-CG1 3.77Å; R74-V78 PolarHBondContact NE-O 3.46Å; A75-V78 HydrophobicContact CB-CG2 3.85Å; A75-V78 WeakPolarHBondContact O-CB 3.44Å; A75-V78 WeakPolarHBondContact O-CG2 3.26Å; A75-V78 PolarHBondContact O-N 2.81Å; P76-V78 PolarHBondContact O-N 3.4Å; V78-F82 HydrophobicContact CG1-CB 3.76Å; V78-F82 HydrophobicContact CG1-CD2 4.03Å; V78-F82 HydrophobicContact CG1-CG 3.96Å | ||
| 79 | P | 97.4 | Very high | 96.9 | Very high | 49 Ų | 49 | 58.5 Ų | 58.5 | 32% | 0.318 | 38% | 0.383 | S | S | . | . | trans | -58.7 | 148.7 | -178 | -27.7 | 36.7 | 0 | 0 | 0 | 113.7 | R74 R81 F82 | R74-P79 WeakPolarHBondContact CD-O 3.47Å; P79-R81 HydrophobicContact CB-CG 4.01Å; P79-R81 PolarHBondContact O-N 3.04Å; P79-F82 HydrophobicContact CB-CD2 4.07Å; P79-F82 HydrophobicContact CB-CE2 4.31Å; P79-F82 HydrophobicContact CG-CD2 4.33Å; P79-F82 HydrophobicContact CG-CE2 4.23Å; P79-F82 PolarHBondContact O-N 3.07Å | ||
| 80 | V | 97.8 | Very high | 96.9 | Very high | 119 Ų | 119 | 60.9 Ų | 60.9 | 72% | 0.721 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -21.9 | -177.5 | 71.5 | 0 | 0 | 0 | 0 | 114 | R74 F82 | R74-V80 PolarHBondContact NH1-O 2.84Å; V80-F82 PolarHBondContact O-N 3.4Å |
| 81 | R | 98.1 | Very high | 97.1 | Very high | 33 Ų | 33 | 59.9 Ų | 59.9 | 13% | 0.125 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -18.7 | 178.1 | 75.6 | -178.1 | 178.3 | -100 | -4.3 | 113.9 | P79 I95 T96 E101 D102 | P79-R81 HydrophobicContact CB-CG 4.01Å; P79-R81 PolarHBondContact O-N 3.04Å; R81-I95 WeakPolarHBondContact O-CA 3.31Å; R81-T96 VanDerWaalsContact CB-O 3.26Å; R81-T96 WeakPolarHBondContact CB-O 3.26Å; R81-T96 PolarHBondContact O-N 3.09Å; R81-T96 PolarHBondContact O-OG1 3.02Å; R81-E101 IonicContact CZ-OE1 3.78Å; R81-E101 IonicContact NH1-OE1 3.59Å; R81-E101 IonicContact NH2-OE1 2.74Å; R81-E101 PolarHBondContact NH2-OE1 2.86Å; R81-D102 IonicContact CZ-OD1 3.67Å; R81-D102 IonicContact CZ-OD2 3.6Å; R81-D102 IonicContact NE-OD1 3.04Å; R81-D102 PolarHBondContact NE-OD1 3.42Å; R81-D102 IonicContact NE-OD2 3.49Å; R81-D102 PolarHBondContact NE-OD2 2.85Å; R81-D102 IonicContact NH2-OD1 2.71Å; R81-D102 PolarHBondContact NH2-OD1 3.23Å; R81-D102 IonicContact NH2-OD2 3.58Å |
| 82 | F | 98.4 | Very high | 97.4 | Very high | 3 Ų | 3 | 59.6 Ų | 59.6 | 1% | 0.013 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 132.6 | 171.8 | -66 | -98.6 | 0 | 0 | 0 | 110.6 | L67 R74 V78 P79 V80 L93 T94 I95 D102 Y106 | L67-F82 HydrophobicContact CD1-CD1 4Å; L67-F82 HydrophobicContact CD1-CE1 4.06Å; L67-F82 HydrophobicContact CD2-CD1 4.34Å; L67-F82 HydrophobicContact CD2-CE1 4.37Å; R74-F82 WeakPolarHBondContact CD-O 3.29Å; R74-F82 PolarHBondContact NH1-O 2.81Å; V78-F82 HydrophobicContact CG1-CB 3.76Å; V78-F82 HydrophobicContact CG1-CD2 4.03Å; V78-F82 HydrophobicContact CG1-CG 3.96Å; P79-F82 HydrophobicContact CB-CD2 4.07Å; P79-F82 HydrophobicContact CB-CE2 4.31Å; P79-F82 HydrophobicContact CG-CD2 4.33Å; P79-F82 HydrophobicContact CG-CE2 4.23Å; P79-F82 PolarHBondContact O-N 3.07Å; V80-F82 PolarHBondContact O-N 3.4Å; F82-L93 HydrophobicContact CD1-CD1 4.37Å; F82-T94 WeakPolarHBondContact CA-O 3.45Å; F82-I95 HydrophobicContact CD1-CB 4.5Å; F82-I95 HydrophobicContact CD1-CD1 4.09Å; F82-I95 HydrophobicContact CD1-CG1 3.72Å; F82-I95 HydrophobicContact CD1-CG2 4.29Å; F82-I95 HydrophobicContact CE1-CB 4.42Å; F82-I95 HydrophobicContact CE1-CD1 3.56Å; F82-I95 HydrophobicContact CE1-CG1 3.67Å; F82-I95 HydrophobicContact CE1-CG2 3.95Å; F82-I95 HydrophobicContact CE2-CG2 4.43Å; F82-I95 HydrophobicContact CZ-CD1 4.4Å; F82-I95 HydrophobicContact CZ-CG2 4.03Å; F82-D102 VanDerWaalsContact CZ-OD1 3.26Å; F82-D102 WeakPolarHBondContact CZ-OD1 3.27Å; F82-Y106 HydrophobicContact CE1-CE1 4.08Å |
| 83 | S | 98.4 | Very high | 97.5 | Very high | 50 Ų | 50 | 56.1 Ų | 56.1 | 35% | 0.35 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 144.3 | 175.5 | 56.9 | 0 | 0 | 0 | 0 | 111.1 | T94 | S83-T94 PolarHBondContact N-O 2.89Å; S83-T94 PolarHBondContact O-N 2.92Å; S83-T94 PolarHBondContact OG-O 2.94Å |
| 84 | G | 98.3 | Very high | 97.6 | Very high | 11 Ų | 11 | 52 Ų | 52 | 11% | 0.113 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 146.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T71 S72 A92 | T71-G84 CarbonylContact O-C 3.58Å; T71-G84 WeakPolarHBondContact O-CA 3.33Å; S72-G84 WeakPolarHBondContact CB-O 3.43Å; G84-A92 CarbonylContact C-O 3.58Å; G84-A92 VanDerWaalsContact CA-O 3.28Å; G84-A92 WeakPolarHBondContact CA-O 3.43Å |
| 85 | S | 97.8 | Very high | 97.6 | Very high | 44 Ų | 44 | 46.8 Ų | 46.8 | 31% | 0.308 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | -177.5 | 179.5 | 62.2 | 0 | 0 | 0 | 0 | 111.1 | T71 A92 | T71-S85 PolarHBondContact O-N 2.02Å; S85-A92 PolarHBondContact N-O 3.29Å; S85-A92 PolarHBondContact O-N 3.07Å |
| 86 | L | 97.9 | Very high | 97.6 | Very high | 63 Ų | 63 | 48.2 Ų | 48.2 | 33% | 0.33 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 135.8 | 168.6 | -61.6 | 173.6 | 0 | 0 | 0 | 109.3 | V47 T71 K90 A91 | V47-L86 HydrophobicContact CB-CD2 4.48Å; V47-L86 HydrophobicContact CG1-CD2 4.1Å; T71-L86 HydrophobicContact CG2-CD1 4.19Å; T71-L86 HydrophobicContact CG2-CD2 3.78Å; T71-L86 HydrophobicContact CG2-CG 3.63Å; L86-K90 CarbonylContact C-O 3.54Å; L86-K90 VanDerWaalsContact CA-O 3.29Å; L86-K90 WeakPolarHBondContact CA-O 3.37Å; L86-A91 HydrophobicContact CD2-CB 4.49Å |
| 87 | I | 97.2 | Very high | 97.7 | Very high | 84 Ų | 84 | 43.4 Ų | 43.4 | 43% | 0.431 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 96.4 | 169.1 | -60.8 | 175.6 | 0 | 0 | 0 | 106.7 | I37 D89 K90 A92 | I37-I87 HydrophobicContact CG2-CD1 3.83Å; I87-D89 PolarHBondContact O-N 3.12Å; I87-K90 PolarHBondContact N-O 2.99Å; I87-K90 PolarHBondContact O-N 3.49Å; I87-A92 HydrophobicContact CB-CB 4.48Å; I87-A92 HydrophobicContact CD1-CB 3.53Å; I87-A92 HydrophobicContact CG1-CB 3.68Å |
| 88 | G | 96.1 | Very high | 97.8 | Very high | 73 Ų | 73 | 39.7 Ų | 39.7 | 75% | 0.753 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | -118.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 89 | D | 95.8 | Very high | 97.7 | Very high | 89 Ų | 89 | 43.3 Ų | 43.3 | 48% | 0.476 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 9.2 | -179.2 | 67 | -18.1 | 0 | 0 | 0 | 113.7 | A46 V47 I87 | A46-D89 HydrophobicContact CB-CB 3.82Å; V47-D89 WeakPolarHBondContact CB-O 3.17Å; V47-D89 PolarHBondContact N-O 2.62Å; I87-D89 PolarHBondContact O-N 3.12Å |
| 90 | K | 97.6 | Very high | 97.5 | Very high | 72 Ų | 72 | 47.1 Ų | 47.1 | 31% | 0.313 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 145.1 | -177.4 | -50.4 | -173.7 | -174.6 | 173 | 0 | 111.2 | C40 R41 L86 I87 | C40-K90 WeakPolarHBondContact O-CA 2.97Å; C40-K90 WeakPolarHBondContact O-CB 3.32Å; R41-K90 HydrophobicContact CB-CD 4.35Å; R41-K90 HydrophobicContact CB-CG 4.05Å; L86-K90 CarbonylContact C-O 3.54Å; L86-K90 VanDerWaalsContact CA-O 3.29Å; L86-K90 WeakPolarHBondContact CA-O 3.37Å; I87-K90 PolarHBondContact N-O 2.99Å; I87-K90 PolarHBondContact O-N 3.49Å |
| 91 | A | 97.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.008 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 145.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | T39 C40 V47 A53 W55 L86 | T39-A91 CarbonylContact C-O 3.6Å; T39-A91 VanDerWaalsContact CA-O 3.26Å; T39-A91 WeakPolarHBondContact CA-O 3.29Å; C40-A91 HydrophobicContact CB-CB 4.26Å; C40-A91 PolarHBondContact N-O 2.89Å; C40-A91 PolarHBondContact O-N 2.95Å; V47-A91 HydrophobicContact CG1-CB 3.8Å; A53-A91 HydrophobicContact CB-CB 3.28Å; W55-A91 HydrophobicContact CZ2-CB 4.41Å; L86-A91 HydrophobicContact CD2-CB 4.49Å |
| 92 | A | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 134.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | I37 L38 G84 S85 I87 | I37-A92 HydrophobicContact CG2-CB 4.05Å; L38-A92 CarbonylContact O-C 3.57Å; L38-A92 VanDerWaalsContact O-CA 3.23Å; L38-A92 WeakPolarHBondContact O-CA 3.48Å; G84-A92 CarbonylContact C-O 3.58Å; G84-A92 VanDerWaalsContact CA-O 3.28Å; G84-A92 WeakPolarHBondContact CA-O 3.43Å; S85-A92 PolarHBondContact N-O 3.29Å; S85-A92 PolarHBondContact O-N 3.07Å; I87-A92 HydrophobicContact CB-CB 4.48Å; I87-A92 HydrophobicContact CD1-CB 3.53Å; I87-A92 HydrophobicContact CG1-CB 3.68Å |
| 93 | L | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 115.7 | 166.3 | 174.4 | 68.3 | 0 | 0 | 0 | 108.2 | I37 L38 W55 L67 I68 F82 I95 Y106 | I37-L93 CarbonylContact C-O 3.15Å; I37-L93 WeakPolarHBondContact CA-O 2.93Å; L38-L93 HydrophobicContact CB-CB 4.37Å; L38-L93 HydrophobicContact CD1-CB 4.44Å; L38-L93 HydrophobicContact CD1-CD2 4.18Å; L38-L93 HydrophobicContact CD1-CG 4.34Å; L38-L93 PolarHBondContact N-O 2.85Å; L38-L93 PolarHBondContact O-N 2.99Å; W55-L93 HydrophobicContact CB-CD1 4.4Å; W55-L93 HydrophobicContact CB-CD2 4.22Å; W55-L93 HydrophobicContact CD2-CB 3.48Å; W55-L93 VanDerWaalsContact CD2-CB 3.48Å; W55-L93 HydrophobicContact CD2-CD2 3.96Å; W55-L93 HydrophobicContact CD2-CG 4.23Å; W55-L93 VanDerWaalsContact CE2-CB 3.46Å; W55-L93 HydrophobicContact CE3-CB 3.79Å; W55-L93 HydrophobicContact CE3-CD2 3.74Å; W55-L93 HydrophobicContact CE3-CG 4.39Å; W55-L93 HydrophobicContact CG-CB 3.92Å; W55-L93 HydrophobicContact CG-CD1 4.29Å; W55-L93 HydrophobicContact CG-CD2 4.18Å; W55-L93 HydrophobicContact CG-CG 4.37Å; W55-L93 HydrophobicContact CH2-CB 4.04Å; W55-L93 HydrophobicContact CZ2-CB 3.76Å; W55-L93 HydrophobicContact CZ3-CB 4.05Å; W55-L93 HydrophobicContact CZ3-CD2 4.36Å; L67-L93 HydrophobicContact CD1-CD1 4.49Å; L67-L93 HydrophobicContact CD1-CD2 3.77Å; I68-L93 HydrophobicContact CG1-CD1 3.7Å; F82-L93 HydrophobicContact CD1-CD1 4.37Å; L93-I95 HydrophobicContact CD2-CD1 4.5Å; L93-I95 HydrophobicContact CG-CG1 4.3Å; L93-Y106 HydrophobicContact CD2-CD1 3.86Å; L93-Y106 HydrophobicContact CD2-CE1 4.31Å |
| 94 | T | 98.5 | Very high | 96.6 | Very high | 22 Ų | 22 | 51.8 Ų | 51.8 | 14% | 0.135 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 124.8 | 176.7 | -58.7 | 0 | 0 | 0 | 0 | 109.2 | T35 V36 I37 F82 S83 T96 | T35-T94 HydrophobicContact CG2-CG2 3.89Å; V36-T94 WeakPolarHBondContact O-CA 3.45Å; I37-T94 HydrophobicContact CG1-CG2 4.13Å; F82-T94 WeakPolarHBondContact CA-O 3.45Å; S83-T94 PolarHBondContact N-O 2.89Å; S83-T94 PolarHBondContact O-N 2.92Å; S83-T94 PolarHBondContact OG-O 2.94Å; T94-T96 HydrophobicContact CG2-CG2 4.01Å |
| 95 | I | 98.3 | Very high | 96.4 | Very high | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 108.2 | 172.8 | -46.4 | 175 | 0 | 0 | 0 | 106.6 | T35 V36 L38 R81 F82 L93 Y106 | T35-I95 VanDerWaalsContact CA-O 3.3Å; T35-I95 WeakPolarHBondContact CA-O 3.26Å; V36-I95 HydrophobicContact CG1-CB 3.79Å; V36-I95 HydrophobicContact CG1-CD1 4.04Å; V36-I95 HydrophobicContact CG1-CG1 4.17Å; V36-I95 PolarHBondContact N-O 3.36Å; V36-I95 PolarHBondContact O-N 3.37Å; L38-I95 HydrophobicContact CD1-CD1 3.99Å; L38-I95 HydrophobicContact CD1-CG1 4.36Å; R81-I95 WeakPolarHBondContact O-CA 3.31Å; F82-I95 HydrophobicContact CD1-CB 4.5Å; F82-I95 HydrophobicContact CD1-CD1 4.09Å; F82-I95 HydrophobicContact CD1-CG1 3.72Å; F82-I95 HydrophobicContact CD1-CG2 4.29Å; F82-I95 HydrophobicContact CE1-CB 4.42Å; F82-I95 HydrophobicContact CE1-CD1 3.56Å; F82-I95 HydrophobicContact CE1-CG1 3.67Å; F82-I95 HydrophobicContact CE1-CG2 3.95Å; F82-I95 HydrophobicContact CE2-CG2 4.43Å; F82-I95 HydrophobicContact CZ-CD1 4.4Å; F82-I95 HydrophobicContact CZ-CG2 4.03Å; L93-I95 HydrophobicContact CD2-CD1 4.5Å; L93-I95 HydrophobicContact CG-CG1 4.3Å; I95-Y106 HydrophobicContact CD1-CE1 3.81Å; I95-Y106 HydrophobicContact CD1-CE2 4.43Å |
| 96 | T | 98.4 | Very high | 96.4 | Very high | 61 Ų | 61 | 54.7 Ų | 54.7 | 37% | 0.374 | 32% | 0.315 | S | S | . | . | trans | -90.7 | 156 | 173.2 | 58.8 | 0 | 0 | 0 | 0 | 110.1 | T35 R81 T94 A98 | T35-T96 HydrophobicContact CG2-CG2 4.02Å; R81-T96 VanDerWaalsContact CB-O 3.26Å; R81-T96 WeakPolarHBondContact CB-O 3.26Å; R81-T96 PolarHBondContact O-N 3.09Å; R81-T96 PolarHBondContact O-OG1 3.02Å; T94-T96 HydrophobicContact CG2-CG2 4.01Å; T96-A98 VanDerWaalsContact C-N 3.3Å; T96-A98 PolarHBondContact O-N 3.03Å | ||
| 97 | G | 98.1 | Very high | 96.3 | Very high | 32 Ų | 32 | 55.3 Ų | 55.3 | 33% | 0.33 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 56.7 | 43.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | G33 G34 Q99 | G33-G97 WeakPolarHBondContact O-CA 3.19Å; G34-G97 PolarHBondContact O-N 3.41Å; G97-Q99 WeakPolarHBondContact O-CG 3.46Å; G97-Q99 PolarHBondContact O-N 3.4Å |
| 98 | A | 97.1 | Very high | 96.3 | Very high | 10 Ų | 10 | 52 Ų | 52 | 8% | 0.083 | 30% | 0.299 | C | S | . | . | trans | -52.6 | 135.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T30 G33 G34 T96 | T30-A98 HydrophobicContact CG2-CB 3.59Å; G33-A98 PolarHBondContact N-O 3.37Å; G34-A98 PolarHBondContact O-N 2.85Å; T96-A98 VanDerWaalsContact C-N 3.3Å; T96-A98 PolarHBondContact O-N 3.03Å | ||
| 99 | Q | 96.3 | Very high | 96.2 | Very high | 92 Ų | 92 | 51 Ų | 51 | 43% | 0.43 | 28% | 0.284 | S | S | . | . | trans | -114.8 | 164.7 | -176.3 | -56 | -172.2 | -0.1 | 0 | 0 | 110.9 | G97 E101 D102 | G97-Q99 WeakPolarHBondContact O-CG 3.46Å; G97-Q99 PolarHBondContact O-N 3.4Å; Q99-E101 HydrophobicContact CB-CG 3.85Å; Q99-E101 PolarHBondContact O-N 3.34Å; Q99-E101 PolarHBondContact OE1-OE1 3.14Å; Q99-D102 PolarHBondContact N-OD2 2.93Å; Q99-D102 VanDerWaalsContact O-CB 3.32Å; Q99-D102 WeakPolarHBondContact O-CB 3.25Å; Q99-D102 PolarHBondContact O-N 2.98Å | ||
| 100 | T | 93 | Very high | 96.1 | Very high | 129 Ų | 129 | 48 Ų | 48 | 79% | 0.791 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -60.3 | -32.1 | 178.3 | -50.9 | 0 | 0 | 0 | 0 | 112.4 | D102 D103 | T100-D102 PolarHBondContact O-N 3.48Å; T100-D103 WeakPolarHBondContact O-CB 3.46Å; T100-D103 PolarHBondContact O-N 3.29Å |
| 101 | E | 91.9 | Very high | 95.9 | Very high | 125 Ų | 125 | 51.9 Ų | 51.9 | 58% | 0.584 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -70 | -12.9 | 174.6 | 60.2 | -176.4 | -134.9 | 0 | 0 | 114.2 | R81 Q99 D103 | R81-E101 IonicContact CZ-OE1 3.78Å; R81-E101 IonicContact NH1-OE1 3.59Å; R81-E101 IonicContact NH2-OE1 2.74Å; R81-E101 PolarHBondContact NH2-OE1 2.86Å; Q99-E101 HydrophobicContact CB-CG 3.85Å; Q99-E101 PolarHBondContact O-N 3.34Å; Q99-E101 PolarHBondContact OE1-OE1 3.14Å; E101-D103 VanDerWaalsContact C-N 3.32Å |
| 102 | D | 93.7 | Very high | 95.3 | Very high | 14 Ų | 14 | 55.5 Ų | 55.5 | 8% | 0.075 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -86.7 | -5.2 | 177.3 | -57.6 | -32.6 | 0 | 0 | 0 | 111.9 | R81 F82 Q99 T100 A104 Y106 | R81-D102 IonicContact CZ-OD1 3.67Å; R81-D102 IonicContact CZ-OD2 3.6Å; R81-D102 IonicContact NE-OD1 3.04Å; R81-D102 PolarHBondContact NE-OD1 3.42Å; R81-D102 IonicContact NE-OD2 3.49Å; R81-D102 PolarHBondContact NE-OD2 2.85Å; R81-D102 IonicContact NH2-OD1 2.71Å; R81-D102 PolarHBondContact NH2-OD1 3.23Å; R81-D102 IonicContact NH2-OD2 3.58Å; F82-D102 VanDerWaalsContact CZ-OD1 3.26Å; F82-D102 WeakPolarHBondContact CZ-OD1 3.27Å; Q99-D102 PolarHBondContact N-OD2 2.93Å; Q99-D102 VanDerWaalsContact O-CB 3.32Å; Q99-D102 WeakPolarHBondContact O-CB 3.25Å; Q99-D102 PolarHBondContact O-N 2.98Å; T100-D102 PolarHBondContact O-N 3.48Å; D102-A104 PolarHBondContact O-N 2.65Å; D102-A104 VanDerWaalsContact O-N 3.15Å; D102-Y106 VanDerWaalsContact O-CE2 3.32Å; D102-Y106 WeakPolarHBondContact O-CE2 3.41Å; D102-Y106 PolarHBondContact O-OH 3.46Å |
| 103 | D | 93.4 | Very high | 94.2 | Very high | 138 Ų | 138 | 58.1 Ų | 58.1 | 74% | 0.738 | 31% | 0.313 | S | S | * | . | trans | -73.1 | 101.4 | 172.5 | -169.1 | 4.3 | 0 | 0 | 0 | 109.9 | T100 E101 | T100-D103 WeakPolarHBondContact O-CB 3.46Å; T100-D103 PolarHBondContact O-N 3.29Å; E101-D103 VanDerWaalsContact C-N 3.32Å | ||
| 104 | A | 93.9 | Very high | 92.6 | Very high | 25 Ų | 25 | 62.6 Ų | 62.6 | 21% | 0.207 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -162.5 | 170.3 | -167.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q57 E58 D102 Y106 | Q57-A104 HydrophobicContact CG-CB 3.68Å; Q57-A104 VanDerWaalsContact NE2-CB 3.33Å; E58-A104 WeakPolarHBondContact O-CB 3.42Å; D102-A104 PolarHBondContact O-N 2.65Å; D102-A104 VanDerWaalsContact O-N 3.15Å; A104-Y106 HydrophobicContact CB-CE2 3.96Å; A104-Y106 VanDerWaalsContact O-CD2 3.29Å; A104-Y106 WeakPolarHBondContact O-CD2 3.42Å; A104-Y106 WeakPolarHBondContact O-CE2 3.45Å |
| 105 | M | 95.8 | Very high | 90.3 | Very high | 98 Ų | 98 | 70 Ų | 70 | 48% | 0.483 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 134 | 167.2 | -70.7 | -55.6 | -45.1 | 0 | 0 | 110.1 | Q57 E58 F107 | Q57-M105 CarbonylContact C-O 3.29Å; Q57-M105 WeakPolarHBondContact CA-O 3.36Å; E58-M105 HydrophobicContact CB-CB 4.15Å; E58-M105 PolarHBondContact N-O 3.16Å; E58-M105 PolarHBondContact O-N 2.98Å; M105-F107 HydrophobicContact CB-CE2 3.77Å; M105-F107 HydrophobicContact CB-CZ 3.98Å; M105-F107 HydrophobicContact CE-CZ 4.31Å |
| 106 | Y | 96.9 | Very high | 87.7 | Confident | 19 Ų | 19 | 81.7 Ų | 81.7 | 8% | 0.075 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 139.3 | 177.8 | -65.5 | -95.1 | 0 | 0 | 0 | 109.6 | Q24 L38 V56 Q57 L67 F82 L93 I95 D102 A104 | Q24-Y106 PolarHBondContact NE2-O 3.02Å; L38-Y106 HydrophobicContact CD2-CD2 4.14Å; L38-Y106 HydrophobicContact CD2-CG 3.87Å; V56-Y106 WeakPolarHBondContact O-CA 3.45Å; Q57-Y106 HydrophobicContact CB-CD1 4.16Å; Q57-Y106 HydrophobicContact CB-CE1 4.07Å; Q57-Y106 HydrophobicContact CG-CD1 4.16Å; Q57-Y106 HydrophobicContact CG-CE1 3.77Å; Q57-Y106 PolarHBondContact NE2-OH 2.92Å; Q57-Y106 VanDerWaalsContact NE2-OH 3.16Å; L67-Y106 HydrophobicContact CD1-CD1 3.74Å; L67-Y106 HydrophobicContact CD1-CE1 3.68Å; F82-Y106 HydrophobicContact CE1-CE1 4.08Å; L93-Y106 HydrophobicContact CD2-CD1 3.86Å; L93-Y106 HydrophobicContact CD2-CE1 4.31Å; I95-Y106 HydrophobicContact CD1-CE1 3.81Å; I95-Y106 HydrophobicContact CD1-CE2 4.43Å; D102-Y106 VanDerWaalsContact O-CE2 3.32Å; D102-Y106 WeakPolarHBondContact O-CE2 3.41Å; D102-Y106 PolarHBondContact O-OH 3.46Å; A104-Y106 HydrophobicContact CB-CE2 3.96Å; A104-Y106 VanDerWaalsContact O-CD2 3.29Å; A104-Y106 WeakPolarHBondContact O-CD2 3.42Å; A104-Y106 WeakPolarHBondContact O-CE2 3.45Å |
| 107 | F | 96.5 | Very high | 87.2 | Confident | 75 Ų | 75 | 82.7 Ų | 82.7 | 33% | 0.329 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 143 | 178.7 | -54.5 | -87.5 | 0 | 0 | 0 | 110.8 | V56 E58 F64 M105 | V56-F107 HydrophobicContact CG2-CB 3.72Å; V56-F107 HydrophobicContact CG2-CD2 4.34Å; V56-F107 PolarHBondContact N-O 3.01Å; V56-F107 PolarHBondContact O-N 3.34Å; E58-F107 HydrophobicContact CB-CE2 3.91Å; E58-F107 WeakPolarHBondContact OE2-CE2 3.32Å; F64-F107 HydrophobicContact CE1-CD2 4.13Å; F64-F107 HydrophobicContact CE1-CE2 4.05Å; M105-F107 HydrophobicContact CB-CE2 3.77Å; M105-F107 HydrophobicContact CB-CZ 3.98Å; M105-F107 HydrophobicContact CE-CZ 4.31Å |
| 108 | C | 96.2 | Very high | 86.6 | Confident | 14 Ų | 14 | 85.4 Ų | 85.4 | 10% | 0.095 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 138.6 | 167.8 | 69.4 | 0 | 0 | 0 | 0 | 111.5 | V22 Q24 C40 N54 W55 | V22-C108 WeakPolarHBondContact CG1-SG 3.46Å; Q24-C108 VanDerWaalsContact OE1-N 3.13Å; C40-C108 HydrophobicContact CB-CB 3.45Å; C40-C108 VanDerWaalsContact CB-CB 3.45Å; C40-C108 WeakPolarHBondContact CB-SG 3.47Å; C40-C108 WeakPolarHBondContact SG-CB 3.48Å; C40-C108 CovalentContact SG-SG 2.02Å; C40-C108 PolarHBondContact SG-SG 2.95Å; N54-C108 WeakPolarHBondContact O-CA 3.28Å; W55-C108 HydrophobicContact CD2-CB 4.22Å; W55-C108 HydrophobicContact CE3-CB 3.99Å; W55-C108 HydrophobicContact CH2-CB 4.1Å; W55-C108 HydrophobicContact CZ2-CB 4.31Å; W55-C108 HydrophobicContact CZ3-CB 3.93Å |
| 109 | A | 94.8 | Very high | 86 | Confident | 53 Ų | 53 | 89.6 Ų | 89.6 | 44% | 0.438 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 125.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | A53 N54 | A53-A109 CarbonylContact C-O 3.36Å; A53-A109 WeakPolarHBondContact CA-O 3.33Å; N54-A109 PolarHBondContact N-O 3.14Å; N54-A109 PolarHBondContact O-N 3.44Å |
| 110 | L | 94.1 | Very high | 85.4 | Confident | 27 Ų | 27 | 89.4 Ų | 89.4 | 14% | 0.141 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 129.9 | 178.8 | -62.7 | -175.5 | 0 | 0 | 0 | 110.7 | V22 V47 Y52 A53 Y112 | V22-L110 HydrophobicContact CG1-CD1 4.36Å; V22-L110 HydrophobicContact CG1-CG 4.26Å; V22-L110 HydrophobicContact CG2-CB 4.36Å; V22-L110 HydrophobicContact CG2-CD1 3.96Å; V22-L110 HydrophobicContact CG2-CG 4.01Å; V47-L110 HydrophobicContact CG1-CD2 3.9Å; V47-L110 HydrophobicContact CG2-CD1 3.9Å; V47-L110 HydrophobicContact CG2-CD2 3.88Å; Y52-L110 WeakPolarHBondContact O-CA 3.42Å; A53-L110 HydrophobicContact CB-CD2 3.63Å; L110-Y112 HydrophobicContact CB-CE2 3.99Å; L110-Y112 WeakPolarHBondContact CD1-OH 3.2Å |
| 111 | W | 91.8 | Very high | 84.9 | Confident | 153 Ų | 153 | 86.9 Ų | 86.9 | 58% | 0.58 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 123.8 | 167.5 | -173.8 | -88.3 | 0 | 0 | 0 | 108.8 | N51 Y52 | N51-W111 CarbonylContact C-O 3.5Å; N51-W111 VanDerWaalsContact CA-O 3.26Å; N51-W111 WeakPolarHBondContact CA-O 3.42Å; Y52-W111 HydrophobicContact CD2-CB 4.11Å; Y52-W111 HydrophobicContact CE1-CB 4.46Å; Y52-W111 AromaticContact CE1-CD1 3.92Å; Y52-W111 HydrophobicContact CE1-CG 4.45Å; Y52-W111 HydrophobicContact CE2-CB 3.72Å; Y52-W111 HydrophobicContact CE2-CG 4.2Å; Y52-W111 AromaticContact CZ-CD1 3.74Å; Y52-W111 AromaticContact CZ-CG 3.92Å; Y52-W111 PolarHBondContact N-O 2.93Å; Y52-W111 VanDerWaalsContact N-O 3.07Å; Y52-W111 PolarHBondContact O-N 3.5Å |
| 112 | Y | 86.6 | Confident | 84.5 | Confident | 77 Ų | 77 | 84.4 Ų | 84.4 | 30% | 0.302 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 116.6 | 173.8 | -61.3 | -86.6 | 0 | 0 | 0 | 108.5 | A20 S42 N51 L110 T114 | A20-Y112 HydrophobicContact CB-CE2 4.37Å; S42-Y112 VanDerWaalsContact CB-OH 3.25Å; S42-Y112 WeakPolarHBondContact CB-OH 3.43Å; S42-Y112 PolarHBondContact OG-OH 3.3Å; N51-Y112 HydrophobicContact CB-CD1 4.19Å; N51-Y112 WeakPolarHBondContact OD1-CA 3.43Å; L110-Y112 HydrophobicContact CB-CE2 3.99Å; L110-Y112 WeakPolarHBondContact CD1-OH 3.2Å; Y112-T114 PolarHBondContact O-N 3.48Å |
| 113 | S | 73.4 | Confident | 83.8 | Confident | 54 Ų | 54 | 89.4 Ų | 89.4 | 38% | 0.378 | 45% | 0.446 | S | S | . | . | trans | -72.8 | 101 | 166.5 | -176.7 | 0 | 0 | 0 | 0 | 107.2 | S50 N51 H115 | S50-S113 WeakPolarHBondContact O-CB 3.47Å; S50-S113 PolarHBondContact O-N 2.82Å; N51-S113 PolarHBondContact OD1-N 3.07Å; N51-S113 VanDerWaalsContact OD1-N 3.12Å; S113-H115 PolarHBondContact O-N 2.94Å | ||
| 114 | T | 65.6 | Low | 83.1 | Confident | 94 Ų | 94 | 85.7 Ų | 85.7 | 58% | 0.577 | 42% | 0.424 | S | S | * | . | trans | -63.4 | 104.8 | 170.8 | 51.7 | 0 | 0 | 0 | 0 | 108.4 | Y112 F116 | Y112-T114 PolarHBondContact O-N 3.48Å; T114-F116 HydrophobicContact CG2-CE2 3.96Å; T114-F116 HydrophobicContact CG2-CZ 4.25Å; T114-F116 PolarHBondContact O-N 3.42Å; T114-F116 WeakPolarHBondContact OG1-CE2 3.38Å | ||
| 115 | H | 50.3 | Low | 82.2 | Confident | 177 Ų | 177 | 90.8 Ų | 90.8 | 82% | 0.819 | 44% | 0.442 | S | S | * | . | trans | -78.4 | 97.2 | 152.7 | -88 | -54.6 | 0 | 0 | 0 | 106.4 | S113 | S113-H115 PolarHBondContact O-N 2.94Š| ||
| 116 | F | 44 | Very low | 80.9 | Confident | 248 Ų | 248 | 90.1 Ų | 90.1 | 100% | 1.088 | 44% | 0.438 | S | S | * | . | trans | -76.1 | 0 | 152.2 | -64.6 | -77 | 0 | 0 | 0 | 108.6 | T114 | T114-F116 HydrophobicContact CG2-CE2 3.96Å; T114-F116 HydrophobicContact CG2-CZ 4.25Å; T114-F116 PolarHBondContact O-N 3.42Å; T114-F116 WeakPolarHBondContact OG1-CE2 3.38Å |
Retrieved 116 of 116 residues in 103.6 ms
(Link to these results)