| 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 | 67 | Low | 74.9 | Confident | 207 Ų | 207 | 120.9 Ų | 120.9 | 100% | 1.02 | 64% | 0.641 | S | S | * | * | 0 | -32.2 | 0 | -68.5 | 176.7 | 74.2 | 0 | 0 | 113.4 | W3 I4 | M1-W3 VanDerWaalsContact C-N 3.31Å; M1-W3 PolarHBondContact O-N 3.49Å; M1-I4 PolarHBondContact O-N 2.93Å | |||
| 2 | A | 75.6 | Confident | 74.6 | Confident | 74 Ų | 74 | 116.3 Ų | 116.3 | 61% | 0.612 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -61.6 | -28.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | I4 S5 L6 | A2-I4 VanDerWaalsContact C-N 3.32Å; A2-I4 PolarHBondContact O-N 3.42Å; A2-S5 PolarHBondContact O-N 2.8Å; A2-L6 PolarHBondContact O-N 3.11Å; A2-L6 VanDerWaalsContact O-N 3.12Å |
| 3 | W | 74.6 | Confident | 73.9 | Confident | 211 Ų | 211 | 118.8 Ų | 118.8 | 80% | 0.799 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -70.4 | -28.3 | 179.8 | -60.9 | -10 | 0 | 0 | 0 | 113.2 | M1 L6 I7 | M1-W3 VanDerWaalsContact C-N 3.31Å; M1-W3 PolarHBondContact O-N 3.49Å; W3-L6 PolarHBondContact O-N 3.35Å; W3-I7 WeakPolarHBondContact O-CB 3.44Å; W3-I7 VanDerWaalsContact O-CG1 3.23Å; W3-I7 WeakPolarHBondContact O-CG1 3.01Å; W3-I7 PolarHBondContact O-N 3.01Å |
| 4 | I | 78.9 | Confident | 73.5 | Confident | 108 Ų | 108 | 117.2 Ų | 117.2 | 55% | 0.554 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -65.1 | -46.1 | 175.2 | -61 | 166.5 | 0 | 0 | 0 | 108.8 | M1 A2 L6 I7 L8 | M1-I4 PolarHBondContact O-N 2.93Å; A2-I4 VanDerWaalsContact C-N 3.32Å; A2-I4 PolarHBondContact O-N 3.42Å; I4-L6 PolarHBondContact O-N 2.89Å; I4-I7 PolarHBondContact O-N 3.09Å; I4-L8 HydrophobicContact CG2-CD1 3.48Å; I4-L8 VanDerWaalsContact CG2-CD1 3.48Å; I4-L8 WeakPolarHBondContact O-CD1 3.28Å; I4-L8 PolarHBondContact O-N 3.31Å |
| 5 | S | 77.4 | Confident | 73.3 | Confident | 77 Ų | 77 | 115.7 Ų | 115.7 | 54% | 0.538 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -61.3 | -41 | 175.2 | -52.8 | 0 | 0 | 0 | 0 | 112.6 | A2 L8 S9 | A2-S5 PolarHBondContact O-N 2.8Å; S5-L8 PolarHBondContact O-N 2.91Å; S5-S9 WeakPolarHBondContact O-CB 3.31Å; S5-S9 PolarHBondContact O-N 3.06Å; S5-S9 PolarHBondContact O-OG 2.99Å |
| 6 | L | 77.6 | Confident | 73.1 | Confident | 125 Ų | 125 | 112.8 Ų | 112.8 | 65% | 0.654 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -65.6 | -41.7 | 177.9 | -160.4 | 83.5 | 0 | 0 | 0 | 112.1 | A2 W3 I4 S9 L10 | A2-L6 PolarHBondContact O-N 3.11Å; A2-L6 VanDerWaalsContact O-N 3.12Å; W3-L6 PolarHBondContact O-N 3.35Å; I4-L6 PolarHBondContact O-N 2.89Å; L6-S9 PolarHBondContact O-N 3.43Å; L6-L10 WeakPolarHBondContact O-CB 3.28Å; L6-L10 PolarHBondContact O-N 2.96Å |
| 7 | I | 79.8 | Confident | 73.1 | Confident | 98 Ų | 98 | 112 Ų | 112 | 50% | 0.503 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -64.6 | -47.4 | 175.6 | -70.5 | 167.8 | 0 | 0 | 0 | 110 | W3 I4 S9 L10 L11 | W3-I7 WeakPolarHBondContact O-CB 3.44Å; W3-I7 VanDerWaalsContact O-CG1 3.23Å; W3-I7 WeakPolarHBondContact O-CG1 3.01Å; W3-I7 PolarHBondContact O-N 3.01Å; I4-I7 PolarHBondContact O-N 3.09Å; I7-S9 VanDerWaalsContact C-N 3.32Å; I7-S9 PolarHBondContact O-N 3.37Å; I7-L10 PolarHBondContact O-N 2.91Å; I7-L10 VanDerWaalsContact O-N 3.15Å; I7-L11 HydrophobicContact CG2-CD1 3.37Å; I7-L11 WeakPolarHBondContact O-CD1 3.47Å; I7-L11 PolarHBondContact O-N 3.08Å |
| 8 | L | 75.3 | Confident | 72.9 | Confident | 116 Ų | 116 | 114.7 Ų | 114.7 | 61% | 0.607 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -59.6 | -41.6 | 176.2 | -90.7 | 98 | 0 | 0 | 0 | 112.3 | I4 S5 L11 A12 | I4-L8 HydrophobicContact CG2-CD1 3.48Å; I4-L8 VanDerWaalsContact CG2-CD1 3.48Å; I4-L8 WeakPolarHBondContact O-CD1 3.28Å; I4-L8 PolarHBondContact O-N 3.31Å; S5-L8 PolarHBondContact O-N 2.91Å; L8-L11 PolarHBondContact O-N 2.7Å; L8-A12 WeakPolarHBondContact O-CB 3.34Å; L8-A12 PolarHBondContact O-N 2.83Å |
| 9 | S | 74.7 | Confident | 72.9 | Confident | 69 Ų | 69 | 114.4 Ų | 114.4 | 48% | 0.483 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -62.9 | -41.7 | 174.7 | -61 | 0 | 0 | 0 | 0 | 111.9 | S5 L6 I7 A12 L13 | S5-S9 WeakPolarHBondContact O-CB 3.31Å; S5-S9 PolarHBondContact O-N 3.06Å; S5-S9 PolarHBondContact O-OG 2.99Å; L6-S9 PolarHBondContact O-N 3.43Å; I7-S9 VanDerWaalsContact C-N 3.32Å; I7-S9 PolarHBondContact O-N 3.37Å; S9-A12 PolarHBondContact O-N 2.98Å; S9-L13 WeakPolarHBondContact O-CD1 3.34Å; S9-L13 PolarHBondContact O-N 2.87Å |
| 10 | L | 71.7 | Confident | 73.4 | Confident | 130 Ų | 130 | 116.7 Ų | 116.7 | 68% | 0.681 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -67.7 | -38.5 | 179.2 | -166.2 | 70.4 | 0 | 0 | 0 | 112.3 | L6 I7 A12 L13 | L6-L10 WeakPolarHBondContact O-CB 3.28Å; L6-L10 PolarHBondContact O-N 2.96Å; I7-L10 PolarHBondContact O-N 2.91Å; I7-L10 VanDerWaalsContact O-N 3.15Å; L10-A12 VanDerWaalsContact C-N 3.31Å; L10-L13 PolarHBondContact O-N 2.94Å |
| 11 | L | 71.5 | Confident | 74 | Confident | 115 Ų | 115 | 112.8 Ų | 112.8 | 60% | 0.602 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -66.8 | -31.4 | 172.7 | -86.1 | 99.3 | 0 | 0 | 0 | 112.5 | I7 L8 L13 S14 | I7-L11 HydrophobicContact CG2-CD1 3.37Å; I7-L11 WeakPolarHBondContact O-CD1 3.47Å; I7-L11 PolarHBondContact O-N 3.08Å; L8-L11 PolarHBondContact O-N 2.7Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-S14 PolarHBondContact O-OG 3.21Å |
| 12 | A | 70.7 | Confident | 75.2 | Confident | 66 Ų | 66 | 106.7 Ų | 106.7 | 55% | 0.545 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -72.8 | -24.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L8 S9 L10 S15 | L8-A12 WeakPolarHBondContact O-CB 3.34Å; L8-A12 PolarHBondContact O-N 2.83Å; S9-A12 PolarHBondContact O-N 2.98Å; L10-A12 VanDerWaalsContact C-N 3.31Å; A12-S15 PolarHBondContact O-OG 3.26Å |
| 13 | L | 65.4 | Low | 76.1 | Confident | 149 Ų | 149 | 106 Ų | 106 | 78% | 0.78 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -82.7 | -16.1 | 178.1 | -92.9 | 82.2 | 0 | 0 | 0 | 113.9 | S9 L10 L11 | S9-L13 WeakPolarHBondContact O-CD1 3.34Å; S9-L13 PolarHBondContact O-N 2.87Å; L10-L13 PolarHBondContact O-N 2.94Å; L11-L13 VanDerWaalsContact C-N 3.33Å |
| 14 | S | 69 | Low | 77.2 | Confident | 96 Ų | 96 | 99.3 Ų | 99.3 | 67% | 0.671 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -92.8 | -3.6 | -176.9 | 62.1 | 0 | 0 | 0 | 0 | 114.5 | L11 G16 | L11-S14 PolarHBondContact O-OG 3.21Å; S14-G16 PolarHBondContact O-N 3.25Å |
| 15 | S | 71 | Confident | 78 | Confident | 94 Ų | 94 | 97.6 Ų | 97.6 | 66% | 0.657 | 60% | 0.595 | S | S | * | * | trans | -81.9 | 66.3 | 173.4 | 46.4 | 0 | 0 | 0 | 0 | 111.3 | A12 A17 | A12-S15 PolarHBondContact O-OG 3.26Å; S15-A17 PolarHBondContact O-N 3.32Å | ||
| 16 | G | 69 | Low | 78.7 | Confident | 69 Ų | 69 | 99 Ų | 99 | 71% | 0.711 | 59% | 0.593 | S | S | * | * | trans | -61 | 107.5 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109 | S14 I18 | S14-G16 PolarHBondContact O-N 3.25Å; G16-I18 PolarHBondContact O-N 3.2Å | ||
| 17 | A | 74.3 | Confident | 79.2 | Confident | 100 Ų | 100 | 99.4 Ų | 99.4 | 83% | 0.826 | 61% | 0.606 | S | S | * | * | trans | -76 | 107.2 | 174 | 0 | 0 | 0 | 0 | 0 | 109 | S15 S19 | S15-A17 PolarHBondContact O-N 3.32Å; A17-S19 PolarHBondContact O-N 3.45Å | ||
| 18 | I | 69.5 | Low | 79.8 | Confident | 161 Ų | 161 | 98.7 Ų | 98.7 | 83% | 0.826 | 62% | 0.615 | S | S | * | * | trans | -75.6 | 112.1 | 170.3 | -56.2 | 173.3 | 0 | 0 | 0 | 106.8 | G16 Q20 | G16-I18 PolarHBondContact O-N 3.2Å; I18-Q20 PolarHBondContact O-N 3.18Å | ||
| 19 | S | 72.9 | Confident | 80.7 | Confident | 109 Ų | 109 | 96.2 Ų | 96.2 | 76% | 0.762 | 60% | 0.602 | S | S | * | * | trans | -75.4 | 115.5 | 171.2 | -176.6 | 0 | 0 | 0 | 0 | 108.7 | A17 | A17-S19 PolarHBondContact O-N 3.45Š| ||
| 20 | Q | 82.7 | Confident | 81.6 | Confident | 159 Ų | 159 | 99.8 Ų | 99.8 | 74% | 0.743 | 62% | 0.621 | S | S | * | * | trans | -85.2 | 140.9 | 174.3 | -174.1 | 175.4 | -20.8 | 0 | 0 | 110.1 | I18 V22 | I18-Q20 PolarHBondContact O-N 3.18Å; Q20-V22 PolarHBondContact O-N 3.34Å | ||
| 21 | A | 86 | Confident | 82.7 | Confident | 36 Ų | 36 | 96.3 Ų | 96.3 | 30% | 0.298 | 61% | 0.605 | S | S | . | * | trans | -64.2 | 129.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | T45 Y113 | A21-T45 HydrophobicContact CB-CG2 3.7Å; A21-Y113 HydrophobicContact CB-CE2 4.46Å | ||
| 22 | V | 92.4 | Very high | 83.9 | Confident | 79 Ų | 79 | 94 Ų | 94 | 48% | 0.479 | 60% | 0.598 | S | S | . | * | trans | -116.1 | 134.7 | 179.9 | -179.7 | 0 | 0 | 0 | 0 | 108.9 | Q20 S44 | Q20-V22 PolarHBondContact O-N 3.34Å; V22-S44 PolarHBondContact N-OG 3.42Å; V22-S44 PolarHBondContact O-N 2.6Å; V22-S44 PolarHBondContact O-OG 2.98Å | ||
| 23 | V | 94.5 | Very high | 85.1 | Confident | 59 Ų | 59 | 95.7 Ų | 95.7 | 36% | 0.358 | 60% | 0.604 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.9 | 130 | 171.1 | -176.7 | 0 | 0 | 0 | 0 | 108.2 | C41 R42 C109 L111 | V23-C41 WeakPolarHBondContact CG1-SG 3.25Å; V23-R42 WeakPolarHBondContact CA-O 3.26Å; V23-C109 HydrophobicContact CG1-CB 4.42Å; V23-L111 HydrophobicContact CG1-CD1 4.31Å; V23-L111 HydrophobicContact CG1-CG 4.34Å; V23-L111 HydrophobicContact CG2-CB 4.33Å; V23-L111 HydrophobicContact CG2-CD1 3.99Å; V23-L111 HydrophobicContact CG2-CG 4.04Å |
| 24 | T | 95.9 | Very high | 86.6 | Confident | 71 Ų | 71 | 91.2 Ų | 91.2 | 44% | 0.436 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.6 | 129 | 177 | -48.7 | 0 | 0 | 0 | 0 | 109.6 | C41 R42 | T24-C41 CarbonylContact O-C 3.59Å; T24-C41 WeakPolarHBondContact O-CA 3.31Å; T24-R42 PolarHBondContact N-O 2.87Å; T24-R42 PolarHBondContact O-N 2.92Å |
| 25 | Q | 95.7 | Very high | 88 | Confident | 71 Ų | 71 | 91.2 Ų | 91.2 | 33% | 0.332 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -137.4 | 165.6 | 173.6 | 57.7 | 178.3 | 69.3 | 0 | 0 | 108.8 | T40 C41 Y107 C109 | Q25-T40 WeakPolarHBondContact CA-O 3.24Å; Q25-T40 VanDerWaalsContact CB-O 3.28Å; Q25-T40 WeakPolarHBondContact CB-O 3.44Å; Q25-C41 HydrophobicContact CB-CB 4.48Å; Q25-Y107 PolarHBondContact NE2-O 3.37Å; Q25-C109 VanDerWaalsContact OE1-N 3.13Å |
| 26 | E | 92.1 | Very high | 89.3 | Confident | 108 Ų | 108 | 90.8 Ų | 90.8 | 51% | 0.505 | 58% | 0.577 | S | S | . | * | trans | -65.6 | 140.6 | 172.4 | -63.3 | -161.4 | 146.8 | 0 | 0 | 110.7 | L29 | E26-L29 HydrophobicContact CB-CD1 3.56Å; E26-L29 HydrophobicContact CG-CD1 4.45Å; E26-L29 WeakPolarHBondContact OE2-CD1 3.38Å; E26-L29 WeakPolarHBondContact OE2-CD2 3.28Å; E26-L29 WeakPolarHBondContact OE2-CG 3.36Å | ||
| 27 | S | 89.4 | Confident | 90.6 | Very high | 133 Ų | 133 | 88.4 Ų | 88.4 | 93% | 0.93 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -77.1 | -35.2 | -172.4 | 50.8 | 0 | 0 | 0 | 0 | 113.4 | ||
| 28 | A | 92.1 | Very high | 91.7 | Very high | 83 Ų | 83 | 86 Ų | 86 | 69% | 0.686 | 52% | 0.524 | S | S | * | . | trans | -154 | 137.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 29 | L | 93.7 | Very high | 93.1 | Very high | 64 Ų | 64 | 79.3 Ų | 79.3 | 34% | 0.335 | 49% | 0.49 | S | S | . | . | trans | -125.8 | 145.9 | 169.2 | -73.4 | 87.7 | 0 | 0 | 0 | 108.9 | E26 V37 L39 | E26-L29 HydrophobicContact CB-CD1 3.56Å; E26-L29 HydrophobicContact CG-CD1 4.45Å; E26-L29 WeakPolarHBondContact OE2-CD1 3.38Å; E26-L29 WeakPolarHBondContact OE2-CD2 3.28Å; E26-L29 WeakPolarHBondContact OE2-CG 3.36Å; L29-V37 HydrophobicContact CB-CG2 4.35Å; L29-V37 HydrophobicContact CD2-CG2 3.61Å; L29-L39 HydrophobicContact CD1-CG 4.37Å | ||
| 30 | T | 94.7 | Very high | 94.3 | Very high | 143 Ų | 143 | 75.8 Ų | 75.8 | 88% | 0.877 | 46% | 0.464 | S | S | * | . | trans | -121 | 145.3 | 170.5 | 56.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 31 | T | 93.9 | Very high | 94.9 | Very high | 58 Ų | 58 | 68.3 Ų | 68.3 | 36% | 0.356 | 43% | 0.429 | S | S | . | . | trans | -150.9 | 153.4 | 179.6 | -170.7 | 0 | 0 | 0 | 0 | 109.7 | E35 V37 A99 | T31-E35 WeakPolarHBondContact OG1-CB 3.11Å; T31-E35 PolarHBondContact OG1-OE2 2.71Å; T31-V37 HydrophobicContact CG2-CB 4.12Å; T31-V37 HydrophobicContact CG2-CG1 4.06Å; T31-A99 HydrophobicContact CG2-CB 3.76Å | ||
| 32 | S | 96.2 | Very high | 95.4 | Very high | 65 Ų | 65 | 71.6 Ų | 71.6 | 46% | 0.455 | 43% | 0.433 | S | S | . | . | trans | -84.7 | 150.9 | 176.2 | -51.4 | 0 | 0 | 0 | 0 | 111 | G34 E35 | S32-G34 PolarHBondContact O-N 2.8Å; S32-E35 PolarHBondContact N-OE2 2.96Å; S32-E35 WeakPolarHBondContact O-CB 3.44Å; S32-E35 PolarHBondContact O-N 2.93Å; S32-E35 VanDerWaalsContact O-N 3.11Å | ||
| 33 | P | 96.6 | Very high | 95.5 | Very high | 103 Ų | 103 | 68 Ų | 68 | 67% | 0.669 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 134.5 | 173.5 | -27 | 35.2 | 0 | 0 | 0 | 112.5 | E35 A99 | P33-E35 VanDerWaalsContact C-N 3.33Å; P33-A99 CarbonylContact C-O 3.5Å; P33-A99 VanDerWaalsContact CA-O 3.28Å; P33-A99 WeakPolarHBondContact CA-O 3.28Å |
| 34 | G | 97.3 | Very high | 95.4 | Very high | 55 Ų | 55 | 68 Ų | 68 | 57% | 0.567 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88 | -12.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | S32 A99 | S32-G34 PolarHBondContact O-N 2.8Å; G34-A99 PolarHBondContact N-O 3.25Å |
| 35 | E | 98 | Very high | 95.1 | Very high | 96 Ų | 96 | 68.5 Ų | 68.5 | 45% | 0.449 | 42% | 0.418 | S | S | . | . | trans | -75.8 | 170.1 | 177.3 | -69.8 | -178.8 | 164.2 | 0 | 0 | 112.4 | T31 S32 P33 G98 A99 | T31-E35 WeakPolarHBondContact OG1-CB 3.11Å; T31-E35 PolarHBondContact OG1-OE2 2.71Å; S32-E35 PolarHBondContact N-OE2 2.96Å; S32-E35 WeakPolarHBondContact O-CB 3.44Å; S32-E35 PolarHBondContact O-N 2.93Å; S32-E35 VanDerWaalsContact O-N 3.11Å; P33-E35 VanDerWaalsContact C-N 3.33Å; E35-G98 WeakPolarHBondContact O-CA 3.35Å; E35-G98 PolarHBondContact O-N 3.21Å; E35-A99 PolarHBondContact O-N 3.21Å | ||
| 36 | T | 98.1 | Very high | 94.8 | Very high | 85 Ų | 85 | 66.8 Ų | 66.8 | 52% | 0.521 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 124.9 | 170.8 | -62.4 | 0 | 0 | 0 | 0 | 109.4 | T95 I96 T97 | T36-T95 HydrophobicContact CG2-CG2 3.65Å; T36-I96 VanDerWaalsContact CA-O 3.31Å; T36-I96 WeakPolarHBondContact CA-O 3.29Å; T36-T97 HydrophobicContact CG2-CG2 3.94Å |
| 37 | V | 97.2 | Very high | 94.9 | Very high | 19 Ų | 19 | 63.9 Ų | 63.9 | 12% | 0.115 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 143.3 | 174.9 | 62 | 0 | 0 | 0 | 0 | 109.8 | L29 T31 T95 I96 | L29-V37 HydrophobicContact CB-CG2 4.35Å; L29-V37 HydrophobicContact CD2-CG2 3.61Å; T31-V37 HydrophobicContact CG2-CB 4.12Å; T31-V37 HydrophobicContact CG2-CG1 4.06Å; V37-T95 WeakPolarHBondContact O-CA 3.44Å; V37-I96 HydrophobicContact CG1-CB 3.82Å; V37-I96 HydrophobicContact CG1-CD1 4.11Å; V37-I96 HydrophobicContact CG1-CG1 4.23Å; V37-I96 PolarHBondContact N-O 3.04Å; V37-I96 PolarHBondContact O-N 3.24Å |
| 38 | T | 97.8 | Very high | 95.2 | Very high | 50 Ų | 50 | 57.7 Ų | 57.7 | 31% | 0.307 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 114.1 | 177.8 | -58.4 | 0 | 0 | 0 | 0 | 109.8 | T40 I88 A93 L94 | T38-T40 HydrophobicContact CG2-CG2 4.32Å; T38-I88 HydrophobicContact CG2-CD1 3.94Å; T38-A93 HydrophobicContact CG2-CB 3.91Å; T38-L94 CarbonylContact C-O 3.09Å; T38-L94 WeakPolarHBondContact CA-O 3.47Å |
| 39 | L | 97.6 | Very high | 95.3 | Very high | 20 Ų | 20 | 56.1 Ų | 56.1 | 11% | 0.105 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 143.3 | 170.8 | -60.7 | 87.5 | 0 | 0 | 0 | 108.6 | L29 W56 A93 L94 I96 Y107 | L29-L39 HydrophobicContact CD1-CG 4.37Å; L39-W56 HydrophobicContact CB-CH2 3.89Å; L39-W56 HydrophobicContact CB-CZ3 4.04Å; L39-A93 CarbonylContact O-C 3.52Å; L39-A93 WeakPolarHBondContact O-CA 3.31Å; L39-L94 HydrophobicContact CB-CB 4.4Å; L39-L94 HydrophobicContact CD1-CD2 4.33Å; L39-L94 PolarHBondContact N-O 3.31Å; L39-L94 PolarHBondContact O-N 2.9Å; L39-I96 HydrophobicContact CD1-CD1 4.04Å; L39-I96 HydrophobicContact CD1-CG1 4.48Å; L39-Y107 HydrophobicContact CD2-CD2 4.14Å; L39-Y107 HydrophobicContact CD2-CG 4.01Å |
| 40 | T | 97.5 | Very high | 95.2 | Very high | 35 Ų | 35 | 58.4 Ų | 58.4 | 22% | 0.215 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 151.3 | 176 | 65.2 | 0 | 0 | 0 | 0 | 112.3 | Q25 T38 I88 A92 A93 | Q25-T40 WeakPolarHBondContact CA-O 3.24Å; Q25-T40 VanDerWaalsContact CB-O 3.28Å; Q25-T40 WeakPolarHBondContact CB-O 3.44Å; T38-T40 HydrophobicContact CG2-CG2 4.32Å; T40-I88 HydrophobicContact CG2-CD1 4.37Å; T40-A92 CarbonylContact C-O 3.53Å; T40-A92 VanDerWaalsContact CA-O 3.26Å; T40-A92 WeakPolarHBondContact CA-O 3.16Å; T40-A93 HydrophobicContact CG2-CB 4.39Å |
| 41 | C | 96 | Very high | 95 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.007 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 131.7 | -176.9 | 168.1 | 0 | 0 | 0 | 0 | 110.2 | V23 T24 Q25 W56 K91 A92 C109 | V23-C41 WeakPolarHBondContact CG1-SG 3.25Å; T24-C41 CarbonylContact O-C 3.59Å; T24-C41 WeakPolarHBondContact O-CA 3.31Å; Q25-C41 HydrophobicContact CB-CB 4.48Å; C41-W56 HydrophobicContact CB-CH2 3.74Å; C41-W56 HydrophobicContact CB-CZ2 3.81Å; C41-K91 CarbonylContact O-C 3.17Å; C41-K91 WeakPolarHBondContact O-CA 3.47Å; C41-K91 WeakPolarHBondContact O-CB 3.42Å; C41-A92 HydrophobicContact CB-CB 4.41Å; C41-A92 PolarHBondContact N-O 3.41Å; C41-A92 PolarHBondContact O-N 3.47Å; C41-C109 HydrophobicContact CB-CB 3.39Å; C41-C109 WeakPolarHBondContact CB-SG 3.05Å; C41-C109 WeakPolarHBondContact SG-CB 3.4Å; C41-C109 CovalentContact SG-SG 2.02Å; C41-C109 PolarHBondContact SG-SG 2.88Å |
| 42 | R | 96.1 | Very high | 94.9 | Very high | 105 Ų | 105 | 53.6 Ų | 53.6 | 40% | 0.396 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 156.3 | 179.7 | 64 | 179.5 | -114.3 | 109.8 | -2.9 | 112 | V23 T24 D90 K91 | V23-R42 WeakPolarHBondContact CA-O 3.26Å; T24-R42 PolarHBondContact N-O 2.87Å; T24-R42 PolarHBondContact O-N 2.92Å; R42-D90 IonicContact NH1-OD2 3.72Å; R42-K91 HydrophobicContact CB-CD 4.49Å; R42-K91 HydrophobicContact CB-CG 4.14Å |
| 43 | S | 94.7 | Very high | 94.8 | Very high | 3 Ų | 3 | 53.7 Ų | 53.7 | 2% | 0.021 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 147.3 | 171.4 | 175.3 | 0 | 0 | 0 | 0 | 111.4 | T45 G46 Y113 | S43-T45 VanDerWaalsContact C-N 3.3Å; S43-T45 PolarHBondContact OG-N 3.12Å; S43-T45 PolarHBondContact OG-OG1 2.84Å; S43-G46 WeakPolarHBondContact CB-O 3.49Å; S43-Y113 WeakPolarHBondContact CB-OH 3.41Å; S43-Y113 WeakPolarHBondContact OG-CE1 3.05Å; S43-Y113 PolarHBondContact OG-OH 3.37Å |
| 44 | S | 92 | Very high | 94.7 | Very high | 60 Ų | 60 | 48.8 Ų | 48.8 | 42% | 0.42 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -75.5 | -15.6 | 168 | 70.2 | 0 | 0 | 0 | 0 | 113.9 | V22 | V22-S44 PolarHBondContact N-OG 3.42Å; V22-S44 PolarHBondContact O-N 2.6Å; V22-S44 PolarHBondContact O-OG 2.98Å |
| 45 | T | 89.8 | Confident | 94.7 | Very high | 82 Ų | 82 | 48.5 Ų | 48.5 | 50% | 0.503 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -108.8 | -3.2 | -172.2 | 57.3 | 0 | 0 | 0 | 0 | 114.1 | A21 S43 | A21-T45 HydrophobicContact CB-CG2 3.7Å; S43-T45 VanDerWaalsContact C-N 3.3Å; S43-T45 PolarHBondContact OG-N 3.12Å; S43-T45 PolarHBondContact OG-OG1 2.84Å |
| 46 | G | 90.8 | Very high | 94.7 | Very high | 35 Ų | 35 | 44 Ų | 44 | 36% | 0.361 | 26% | 0.264 | S | S | . | . | S | Bend | trans | 167.7 | -176.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | S43 | S43-G46 WeakPolarHBondContact CB-O 3.49Š|
| 47 | A | 94.3 | Very high | 94.6 | Very high | 47 Ų | 47 | 41.7 Ų | 41.7 | 39% | 0.388 | 25% | 0.25 | S | C | . | . | trans | -73.3 | 139.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | T49 D90 | A47-T49 HydrophobicContact CB-CG2 4.15Å; A47-D90 HydrophobicContact CB-CB 3.92Å | ||
| 48 | V | 94.8 | Very high | 94.6 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.018 | 25% | 0.247 | C | C | . | . | trans | -75.6 | 125.9 | 165.9 | -173.1 | 0 | 0 | 0 | 0 | 107.7 | N52 L87 D90 A92 L111 | V48-N52 CarbonylContact C-O 3.53Å; V48-N52 VanDerWaalsContact CA-O 3.31Å; V48-N52 WeakPolarHBondContact CA-O 3.34Å; V48-N52 WeakPolarHBondContact CG1-O 3.43Å; V48-L87 HydrophobicContact CB-CD2 4.37Å; V48-L87 HydrophobicContact CG1-CD2 3.89Å; V48-D90 WeakPolarHBondContact CB-O 3.46Å; V48-D90 PolarHBondContact N-O 3.01Å; V48-A92 HydrophobicContact CG1-CB 3.83Å; V48-L111 HydrophobicContact CG1-CD2 4.03Å; V48-L111 HydrophobicContact CG2-CD1 4Å; V48-L111 HydrophobicContact CG2-CD2 3.9Å | ||
| 49 | T | 94.6 | Very high | 94.4 | Very high | 50 Ų | 50 | 42 Ų | 42 | 31% | 0.307 | 25% | 0.246 | S | C | . | . | trans | -137.3 | -176.5 | -175.5 | 68.8 | 0 | 0 | 0 | 0 | 110.2 | A47 S51 N52 Y53 | A47-T49 HydrophobicContact CB-CG2 4.15Å; T49-S51 PolarHBondContact O-N 3.29Å; T49-S51 PolarHBondContact OG1-N 2.88Å; T49-S51 VanDerWaalsContact OG1-N 3.14Å; T49-N52 PolarHBondContact N-O 2.78Å; T49-N52 CarbonylContact O-C 3.38Å; T49-N52 PolarHBondContact O-N 3.47Å; T49-N52 PolarHBondContact OG1-N 2.88Å; T49-Y53 VanDerWaalsContact O-CA 3.3Å; T49-Y53 WeakPolarHBondContact O-CA 3.36Å; T49-Y53 PolarHBondContact O-N 3.44Å | ||
| 50 | T | 90.7 | Very high | 94.2 | Very high | 111 Ų | 111 | 43.3 Ų | 43.3 | 68% | 0.681 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -64.7 | -20.8 | 169.8 | 52 | 0 | 0 | 0 | 0 | 113.1 | ||
| 51 | S | 90.9 | Very high | 93.7 | Very high | 68 Ų | 68 | 47.5 Ų | 47.5 | 48% | 0.476 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -95.6 | -30.1 | 177.3 | -56.6 | 0 | 0 | 0 | 0 | 112.8 | T49 S114 | T49-S51 PolarHBondContact O-N 3.29Å; T49-S51 PolarHBondContact OG1-N 2.88Å; T49-S51 VanDerWaalsContact OG1-N 3.14Å; S51-S114 WeakPolarHBondContact O-CB 3.26Å; S51-S114 PolarHBondContact O-OG 3.29Å |
| 52 | N | 92.1 | Very high | 93.1 | Very high | 32 Ų | 32 | 54.9 Ų | 54.9 | 17% | 0.171 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 76.6 | 171.8 | -67.5 | -24.3 | 0 | 0 | 0 | 108.1 | V48 T49 W112 Y113 S114 | V48-N52 CarbonylContact C-O 3.53Å; V48-N52 VanDerWaalsContact CA-O 3.31Å; V48-N52 WeakPolarHBondContact CA-O 3.34Å; V48-N52 WeakPolarHBondContact CG1-O 3.43Å; T49-N52 PolarHBondContact N-O 2.78Å; T49-N52 CarbonylContact O-C 3.38Å; T49-N52 PolarHBondContact O-N 3.47Å; T49-N52 PolarHBondContact OG1-N 2.88Å; N52-W112 CarbonylContact C-O 3.57Å; N52-W112 VanDerWaalsContact CA-O 3.23Å; N52-W112 WeakPolarHBondContact CA-O 3.47Å; N52-Y113 HydrophobicContact CB-CD1 4.15Å; N52-Y113 WeakPolarHBondContact OD1-CA 3.48Å; N52-S114 PolarHBondContact OD1-N 3.37Å; N52-S114 PolarHBondContact OD1-OG 3.47Å |
| 53 | Y | 93.3 | Very high | 92.2 | Very high | 68 Ų | 68 | 55.4 Ų | 55.4 | 27% | 0.267 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 160.7 | -164.7 | 53.9 | -96.6 | 0 | 0 | 0 | 112.7 | T49 T72 L111 W112 | T49-Y53 VanDerWaalsContact O-CA 3.3Å; T49-Y53 WeakPolarHBondContact O-CA 3.36Å; T49-Y53 PolarHBondContact O-N 3.44Å; Y53-T72 WeakPolarHBondContact CB-OG1 3.49Å; Y53-L111 WeakPolarHBondContact O-CA 3.43Å; Y53-W112 HydrophobicContact CD2-CB 4.08Å; Y53-W112 HydrophobicContact CE1-CB 4.42Å; Y53-W112 AromaticContact CE1-CD1 3.78Å; Y53-W112 HydrophobicContact CE1-CG 4.36Å; Y53-W112 HydrophobicContact CE2-CB 3.66Å; Y53-W112 HydrophobicContact CE2-CG 4.09Å; Y53-W112 AromaticContact CZ-CD1 3.56Å; Y53-W112 AromaticContact CZ-CG 3.8Å; Y53-W112 PolarHBondContact N-O 2.81Å; Y53-W112 VanDerWaalsContact N-O 3.13Å; Y53-W112 PolarHBondContact O-N 3.21Å |
| 54 | A | 95.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 149.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | T72 A92 A110 L111 | A54-T72 PolarHBondContact O-N 3.08Å; A54-T72 VanDerWaalsContact O-N 3.08Å; A54-A92 HydrophobicContact CB-CB 3.23Å; A54-A110 CarbonylContact C-O 3.49Å; A54-A110 WeakPolarHBondContact CA-O 3.18Å; A54-L111 HydrophobicContact CB-CD2 3.58Å |
| 55 | N | 96.8 | Very high | 91.9 | Very high | 48 Ų | 48 | 66.2 Ų | 66.2 | 26% | 0.257 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 142 | 161.1 | -51 | -83.4 | 0 | 0 | 0 | 108 | I69 G70 G71 C109 A110 | N55-I69 CarbonylContact C-O 3.57Å; N55-I69 WeakPolarHBondContact CA-O 3.39Å; N55-G70 WeakPolarHBondContact OD1-CA 3.38Å; N55-G71 PolarHBondContact OD1-N 3.13Å; N55-G71 VanDerWaalsContact OD1-N 3.14Å; N55-C109 WeakPolarHBondContact O-CA 3.36Å; N55-A110 PolarHBondContact N-O 2.82Å; N55-A110 PolarHBondContact O-N 3.06Å |
| 56 | W | 97.7 | Very high | 92.1 | Very high | 2 Ų | 2 | 65.1 Ų | 65.1 | 1% | 0.008 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 132.1 | 179.6 | -70.3 | 97.2 | 0 | 0 | 0 | 110 | L39 C41 L68 I69 A92 L94 F108 C109 | L39-W56 HydrophobicContact CB-CH2 3.89Å; L39-W56 HydrophobicContact CB-CZ3 4.04Å; C41-W56 HydrophobicContact CB-CH2 3.74Å; C41-W56 HydrophobicContact CB-CZ2 3.81Å; W56-L68 HydrophobicContact CB-CB 4.27Å; W56-L68 WeakPolarHBondContact O-CB 3.47Å; W56-L68 PolarHBondContact O-N 3.14Å; W56-I69 HydrophobicContact CB-CB 4.21Å; W56-I69 HydrophobicContact CB-CG1 4.46Å; W56-I69 PolarHBondContact N-O 3.06Å; W56-I69 PolarHBondContact O-N 3.31Å; W56-A92 HydrophobicContact CZ2-CB 4.34Å; W56-L94 HydrophobicContact CB-CD1 4.27Å; W56-L94 HydrophobicContact CB-CD2 4.23Å; W56-L94 HydrophobicContact CD2-CB 3.52Å; W56-L94 HydrophobicContact CD2-CD2 4.03Å; W56-L94 HydrophobicContact CD2-CG 4.27Å; W56-L94 HydrophobicContact CE3-CB 3.86Å; W56-L94 HydrophobicContact CE3-CD2 3.84Å; W56-L94 HydrophobicContact CE3-CG 4.47Å; W56-L94 HydrophobicContact CG-CB 3.92Å; W56-L94 HydrophobicContact CG-CD1 4.2Å; W56-L94 HydrophobicContact CG-CD2 4.22Å; W56-L94 HydrophobicContact CG-CG 4.35Å; W56-L94 HydrophobicContact CH2-CB 4.13Å; W56-L94 HydrophobicContact CZ2-CB 3.83Å; W56-L94 HydrophobicContact CZ3-CB 4.15Å; W56-L94 HydrophobicContact CZ3-CD2 4.47Å; W56-F108 WeakPolarHBondContact CA-O 3.41Å; W56-C109 HydrophobicContact CD2-CB 4.47Å; W56-C109 HydrophobicContact CE3-CB 4.11Å; W56-C109 HydrophobicContact CH2-CB 4.05Å; W56-C109 HydrophobicContact CZ2-CB 4.38Å; W56-C109 HydrophobicContact CZ3-CB 3.9Å |
| 57 | V | 96.5 | Very high | 92.4 | Very high | 37 Ų | 37 | 65.3 Ų | 65.3 | 22% | 0.224 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 141.2 | -179.4 | -176.7 | 0 | 0 | 0 | 0 | 109 | F65 T66 Y107 F108 | V57-F65 HydrophobicContact CG1-CB 3.85Å; V57-F65 HydrophobicContact CG1-CD1 3.81Å; V57-F65 HydrophobicContact CG1-CG 4.3Å; V57-T66 CarbonylContact C-O 3.55Å; V57-T66 WeakPolarHBondContact CA-O 3.35Å; V57-T66 WeakPolarHBondContact CG1-O 3.5Å; V57-Y107 CarbonylContact O-C 3.59Å; V57-Y107 WeakPolarHBondContact O-CA 3.47Å; V57-F108 PolarHBondContact N-O 3.01Å; V57-F108 PolarHBondContact O-N 3.45Å |
| 58 | Q | 96.5 | Very high | 92.6 | Very high | 11 Ų | 11 | 63.2 Ų | 63.2 | 5% | 0.051 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 133.4 | 174.6 | -167.8 | -179.8 | 39.6 | 0 | 0 | 110 | K60 T66 L68 A105 I106 Y107 | Q58-K60 HydrophobicContact CG-CG 4.26Å; Q58-K60 VanDerWaalsContact NE2-CE 3.33Å; Q58-T66 PolarHBondContact N-O 3.13Å; Q58-T66 PolarHBondContact O-N 2.81Å; Q58-L68 HydrophobicContact CB-CD1 3.93Å; Q58-L68 HydrophobicContact CB-CD2 4.1Å; Q58-L68 HydrophobicContact CB-CG 3.98Å; Q58-A105 HydrophobicContact CG-CB 3.44Å; Q58-A105 VanDerWaalsContact CG-CB 3.44Å; Q58-I106 WeakPolarHBondContact CA-O 3.36Å; Q58-Y107 HydrophobicContact CB-CD1 4.42Å; Q58-Y107 HydrophobicContact CB-CE1 4.31Å; Q58-Y107 HydrophobicContact CG-CD1 4.33Å; Q58-Y107 HydrophobicContact CG-CE1 3.93Å; Q58-Y107 PolarHBondContact NE2-OH 2.85Å |
| 59 | E | 95.1 | Very high | 92.7 | Very high | 64 Ų | 64 | 63.3 Ų | 63.3 | 30% | 0.299 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 119.3 | 169.2 | -175.5 | -178.1 | -175.1 | 0 | 0 | 108.6 | F65 A105 I106 F108 | E59-F65 HydrophobicContact CB-CD1 3.95Å; E59-F65 HydrophobicContact CB-CE1 3.8Å; E59-F65 HydrophobicContact CG-CD1 4.29Å; E59-F65 HydrophobicContact CG-CE1 3.93Å; E59-F65 HydrophobicContact CG-CZ 4.28Å; E59-F65 WeakPolarHBondContact OE2-CE1 3.5Å; E59-A105 WeakPolarHBondContact O-CB 3.44Å; E59-I106 HydrophobicContact CB-CB 4.34Å; E59-I106 PolarHBondContact N-O 3.12Å; E59-I106 PolarHBondContact O-N 3.34Å; E59-F108 HydrophobicContact CB-CD2 4.47Å; E59-F108 HydrophobicContact CB-CE2 3.9Å; E59-F108 WeakPolarHBondContact OE2-CE2 3.47Å |
| 60 | K | 93.1 | Very high | 92.8 | Very high | 48 Ų | 48 | 62 Ų | 62 | 21% | 0.209 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 150.7 | 173.6 | -59.4 | -175.5 | -179.2 | -168.9 | 0 | 108.8 | Q58 D62 H63 E102 A105 | Q58-K60 HydrophobicContact CG-CG 4.26Å; Q58-K60 VanDerWaalsContact NE2-CE 3.33Å; K60-D62 PolarHBondContact O-N 2.83Å; K60-H63 HydrophobicContact CB-CB 4.06Å; K60-H63 PolarHBondContact O-N 2.84Å; K60-H63 VanDerWaalsContact O-O 3.08Å; K60-E102 VanDerWaalsContact CE-O 3.26Å; K60-E102 WeakPolarHBondContact CE-O 3.47Å; K60-E102 PolarHBondContact NZ-O 2.9Å; K60-A105 HydrophobicContact CG-CB 3.91Å |
| 61 | P | 86.4 | Confident | 92.9 | Very high | 123 Ų | 123 | 57.9 Ų | 57.9 | 80% | 0.799 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49 | -37.6 | -177 | -29.7 | 35.3 | 0 | 0 | 0 | 114.9 | ||
| 62 | D | 83.7 | Confident | 92.9 | Very high | 155 Ų | 155 | 55.1 Ų | 55.1 | 83% | 0.829 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | -0.1 | -176.2 | -55.8 | -49.6 | 0 | 0 | 0 | 114.5 | K60 | K60-D62 PolarHBondContact O-N 2.83Š|
| 63 | H | 77.7 | Confident | 93.1 | Very high | 117 Ų | 117 | 58.5 Ų | 58.5 | 54% | 0.542 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 147.8 | -175 | -61.8 | 63.4 | 0 | 0 | 0 | 111.5 | K60 | K60-H63 HydrophobicContact CB-CB 4.06Å; K60-H63 PolarHBondContact O-N 2.84Å; K60-H63 VanDerWaalsContact O-O 3.08Å |
| 64 | L | 87.1 | Confident | 93.3 | Very high | 158 Ų | 158 | 60.2 Ų | 60.2 | 83% | 0.827 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 157 | 167.1 | -59.7 | 179.1 | 0 | 0 | 0 | 110.5 | T66 | L64-T66 PolarHBondContact O-N 2.91Å; L64-T66 PolarHBondContact O-OG1 3.16Å |
| 65 | F | 92.4 | Very high | 93.4 | Very high | 131 Ų | 131 | 65.9 Ų | 65.9 | 58% | 0.575 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -46.2 | 122.5 | 172.3 | -70.8 | -77.8 | 0 | 0 | 0 | 111.4 | V57 E59 F108 | V57-F65 HydrophobicContact CG1-CB 3.85Å; V57-F65 HydrophobicContact CG1-CD1 3.81Å; V57-F65 HydrophobicContact CG1-CG 4.3Å; E59-F65 HydrophobicContact CB-CD1 3.95Å; E59-F65 HydrophobicContact CB-CE1 3.8Å; E59-F65 HydrophobicContact CG-CD1 4.29Å; E59-F65 HydrophobicContact CG-CE1 3.93Å; E59-F65 HydrophobicContact CG-CZ 4.28Å; E59-F65 WeakPolarHBondContact OE2-CE1 3.5Å; F65-F108 HydrophobicContact CE1-CD2 4.14Å; F65-F108 AromaticContact CE1-CE2 3.9Å; F65-F108 HydrophobicContact CE1-CE2 3.9Å |
| 66 | T | 94.7 | Very high | 93.4 | Very high | 59 Ų | 59 | 65 Ų | 65 | 36% | 0.362 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 119.9 | 179.9 | -60.8 | 0 | 0 | 0 | 0 | 109.6 | V57 Q58 L64 L68 | V57-T66 CarbonylContact C-O 3.55Å; V57-T66 WeakPolarHBondContact CA-O 3.35Å; V57-T66 WeakPolarHBondContact CG1-O 3.5Å; Q58-T66 PolarHBondContact N-O 3.13Å; Q58-T66 PolarHBondContact O-N 2.81Å; L64-T66 PolarHBondContact O-N 2.91Å; L64-T66 PolarHBondContact O-OG1 3.16Å; T66-L68 PolarHBondContact O-N 3.14Å |
| 67 | G | 96.6 | Very high | 93.4 | Very high | 40 Ų | 40 | 71.3 Ų | 71.3 | 41% | 0.412 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 127.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | A76 V79 | G67-A76 WeakPolarHBondContact O-CB 3.39Å; G67-V79 WeakPolarHBondContact O-CG2 3.28Å |
| 68 | L | 98 | Very high | 93.4 | Very high | 3 Ų | 3 | 73.6 Ų | 73.6 | 2% | 0.016 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -59.8 | 178.8 | -63.6 | 179.9 | 0 | 0 | 0 | 111.6 | W56 Q58 T66 R75 A76 V79 F83 L94 Y107 | W56-L68 HydrophobicContact CB-CB 4.27Å; W56-L68 WeakPolarHBondContact O-CB 3.47Å; W56-L68 PolarHBondContact O-N 3.14Å; Q58-L68 HydrophobicContact CB-CD1 3.93Å; Q58-L68 HydrophobicContact CB-CD2 4.1Å; Q58-L68 HydrophobicContact CB-CG 3.98Å; T66-L68 PolarHBondContact O-N 3.14Å; L68-R75 WeakPolarHBondContact O-CA 3.4Å; L68-A76 PolarHBondContact O-N 2.84Å; L68-V79 HydrophobicContact CD2-CG1 3.92Å; L68-V79 HydrophobicContact CD2-CG2 4.23Å; L68-F83 HydrophobicContact CD1-CD1 4.02Å; L68-F83 HydrophobicContact CD1-CE1 4.15Å; L68-F83 HydrophobicContact CD2-CD1 4.42Å; L68-L94 HydrophobicContact CD1-CD1 4.43Å; L68-L94 HydrophobicContact CD1-CD2 3.84Å; L68-Y107 HydrophobicContact CD1-CD1 3.73Å; L68-Y107 HydrophobicContact CD1-CE1 3.62Å |
| 69 | I | 98.2 | Very high | 93.4 | Very high | 4 Ų | 4 | 73.9 Ų | 73.9 | 2% | 0.021 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 130.9 | -176.1 | -51.2 | -63.7 | 0 | 0 | 0 | 108.4 | N55 W56 N74 R75 L94 | N55-I69 CarbonylContact C-O 3.57Å; N55-I69 WeakPolarHBondContact CA-O 3.39Å; W56-I69 HydrophobicContact CB-CB 4.21Å; W56-I69 HydrophobicContact CB-CG1 4.46Å; W56-I69 PolarHBondContact N-O 3.06Å; W56-I69 PolarHBondContact O-N 3.31Å; I69-N74 CarbonylContact C-O 3.52Å; I69-N74 WeakPolarHBondContact CA-O 3.39Å; I69-R75 HydrophobicContact CD1-CB 3.94Å; I69-R75 HydrophobicContact CD1-CG 4.19Å; I69-L94 HydrophobicContact CG1-CD1 3.72Å |
| 70 | G | 96.2 | Very high | 93.5 | Very high | 23 Ų | 23 | 73.2 Ų | 73.2 | 24% | 0.237 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 153.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112 | N55 T72 N74 | N55-G70 WeakPolarHBondContact OD1-CA 3.38Å; G70-T72 PolarHBondContact O-N 3.37Å; G70-N74 PolarHBondContact N-O 2.82Å; G70-N74 WeakPolarHBondContact O-CA 3.2Å; G70-N74 WeakPolarHBondContact O-CB 3.26Å; G70-N74 PolarHBondContact O-N 2.87Å |
| 71 | G | 92.6 | Very high | 93.7 | Very high | 24 Ų | 24 | 74.7 Ų | 74.7 | 25% | 0.247 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 45.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | N55 N73 | N55-G71 PolarHBondContact OD1-N 3.13Å; N55-G71 VanDerWaalsContact OD1-N 3.14Å; G71-N73 VanDerWaalsContact C-N 3.26Å; G71-N73 PolarHBondContact O-N 3.47Å |
| 72 | T | 90.8 | Very high | 94.3 | Very high | 11 Ų | 11 | 71 Ų | 71 | 7% | 0.067 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | -47.9 | -178.5 | -58.4 | 0 | 0 | 0 | 0 | 115.8 | Y53 A54 G70 G85 S86 L87 | Y53-T72 WeakPolarHBondContact CB-OG1 3.49Å; A54-T72 PolarHBondContact O-N 3.08Å; A54-T72 VanDerWaalsContact O-N 3.08Å; G70-T72 PolarHBondContact O-N 3.37Å; T72-G85 CarbonylContact O-C 3.55Å; T72-G85 VanDerWaalsContact O-CA 3.25Å; T72-G85 WeakPolarHBondContact O-CA 3.21Å; T72-S86 PolarHBondContact O-N 3.25Å; T72-L87 HydrophobicContact CG2-CD1 4.14Å; T72-L87 HydrophobicContact CG2-CD2 3.79Å; T72-L87 HydrophobicContact CG2-CG 3.59Å |
| 73 | N | 95.8 | Very high | 95 | Very high | 102 Ų | 102 | 63.7 Ų | 63.7 | 55% | 0.545 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -142.1 | 1.2 | -172.6 | 67.5 | -11.2 | 0 | 0 | 0 | 115.5 | G71 R75 G85 | G71-N73 VanDerWaalsContact C-N 3.26Å; G71-N73 PolarHBondContact O-N 3.47Å; N73-R75 PolarHBondContact O-N 2.82Å; N73-G85 VanDerWaalsContact CB-O 3.24Å; N73-G85 WeakPolarHBondContact CB-O 3.32Å |
| 74 | N | 97.3 | Very high | 96 | Very high | 105 Ų | 105 | 60.5 Ų | 60.5 | 56% | 0.561 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 103.3 | -180 | -59.4 | -35.5 | 0 | 0 | 0 | 110.2 | I69 G70 A76 | I69-N74 CarbonylContact C-O 3.52Å; I69-N74 WeakPolarHBondContact CA-O 3.39Å; G70-N74 PolarHBondContact N-O 2.82Å; G70-N74 WeakPolarHBondContact O-CA 3.2Å; G70-N74 WeakPolarHBondContact O-CB 3.26Å; G70-N74 PolarHBondContact O-N 2.87Å; N74-A76 PolarHBondContact O-N 2.94Å |
| 75 | R | 97.8 | Very high | 96.5 | Very high | 119 Ų | 119 | 53.4 Ų | 53.4 | 45% | 0.449 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 129.6 | 176 | -176.1 | 170.3 | 66.2 | -130.3 | -2.7 | 111.2 | L68 I69 N73 V79 P80 A81 F83 | L68-R75 WeakPolarHBondContact O-CA 3.4Å; I69-R75 HydrophobicContact CD1-CB 3.94Å; I69-R75 HydrophobicContact CD1-CG 4.19Å; N73-R75 PolarHBondContact O-N 2.82Å; R75-V79 VanDerWaalsContact CD-O 3.31Å; R75-V79 WeakPolarHBondContact CD-O 3.44Å; R75-V79 HydrophobicContact CG-CB 3.63Å; R75-V79 HydrophobicContact CG-CG1 3.75Å; R75-V79 PolarHBondContact NE-O 2.88Å; R75-P80 WeakPolarHBondContact CD-O 3.34Å; R75-A81 PolarHBondContact NH1-O 2.88Å; R75-F83 WeakPolarHBondContact CD-O 3.18Å; R75-F83 PolarHBondContact NH1-O 3.17Å |
| 76 | A | 97.8 | Very high | 96.7 | Very high | 30 Ų | 30 | 49.2 Ų | 49.2 | 25% | 0.248 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 153.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G67 L68 N74 G78 V79 | G67-A76 WeakPolarHBondContact O-CB 3.39Å; L68-A76 PolarHBondContact O-N 2.84Å; N74-A76 PolarHBondContact O-N 2.94Å; A76-G78 PolarHBondContact O-N 2.87Å; A76-V79 HydrophobicContact CB-CG2 3.88Å; A76-V79 WeakPolarHBondContact O-CB 3.34Å; A76-V79 PolarHBondContact O-N 2.93Å |
| 77 | P | 96.8 | Very high | 96.8 | Very high | 134 Ų | 134 | 49.5 Ų | 49.5 | 87% | 0.87 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 137.2 | 176.5 | -24.8 | 34.6 | 0 | 0 | 0 | 112.2 | V79 | P77-V79 PolarHBondContact O-N 2.02Š|
| 78 | G | 95.9 | Very high | 96.8 | Very high | 85 Ų | 85 | 51.6 Ų | 51.6 | 88% | 0.876 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | -10.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | A76 | A76-G78 PolarHBondContact O-N 2.87Š|
| 79 | V | 96.9 | Very high | 96.7 | Very high | 17 Ų | 17 | 55 Ų | 55 | 10% | 0.103 | 37% | 0.365 | C | S | . | . | trans | -74.4 | 130.1 | 176.6 | 178 | 0 | 0 | 0 | 0 | 109.9 | G67 L68 R75 A76 P77 F83 | G67-V79 WeakPolarHBondContact O-CG2 3.28Å; L68-V79 HydrophobicContact CD2-CG1 3.92Å; L68-V79 HydrophobicContact CD2-CG2 4.23Å; R75-V79 VanDerWaalsContact CD-O 3.31Å; R75-V79 WeakPolarHBondContact CD-O 3.44Å; R75-V79 HydrophobicContact CG-CB 3.63Å; R75-V79 HydrophobicContact CG-CG1 3.75Å; R75-V79 PolarHBondContact NE-O 2.88Å; A76-V79 HydrophobicContact CB-CG2 3.88Å; A76-V79 WeakPolarHBondContact O-CB 3.34Å; A76-V79 PolarHBondContact O-N 2.93Å; P77-V79 PolarHBondContact O-N 2.02Å; V79-F83 HydrophobicContact CG1-CB 3.78Å; V79-F83 HydrophobicContact CG1-CD2 3.9Å; V79-F83 HydrophobicContact CG1-CG 4Å | ||
| 80 | P | 97.8 | Very high | 96.6 | Very high | 50 Ų | 50 | 57.4 Ų | 57.4 | 33% | 0.325 | 38% | 0.378 | S | S | . | . | trans | -58.9 | 150.9 | -177.6 | -28.2 | 36.4 | 0 | 0 | 0 | 114.5 | R75 R82 F83 | R75-P80 WeakPolarHBondContact CD-O 3.34Å; P80-R82 HydrophobicContact CB-CG 3.77Å; P80-R82 VanDerWaalsContact CB-NH1 3.29Å; P80-R82 PolarHBondContact O-N 2.88Å; P80-R82 VanDerWaalsContact O-N 3.09Å; P80-F83 HydrophobicContact CB-CD2 4.04Å; P80-F83 HydrophobicContact CB-CE2 4.27Å; P80-F83 HydrophobicContact CG-CD2 4.27Å; P80-F83 HydrophobicContact CG-CE2 4.16Å; P80-F83 PolarHBondContact O-N 2.85Å | ||
| 81 | A | 97.8 | Very high | 96.6 | Very high | 78 Ų | 78 | 59.4 Ų | 59.4 | 65% | 0.645 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -22.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | R75 F83 | R75-A81 PolarHBondContact NH1-O 2.88Å; A81-F83 PolarHBondContact O-N 2.9Å |
| 82 | R | 97.9 | Very high | 96.8 | Very high | 45 Ų | 45 | 58.3 Ų | 58.3 | 17% | 0.17 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -24.4 | 174.6 | 54 | 169.9 | -170.6 | -79.9 | 5.1 | 114.3 | P80 I96 T97 D103 | P80-R82 HydrophobicContact CB-CG 3.77Å; P80-R82 VanDerWaalsContact CB-NH1 3.29Å; P80-R82 PolarHBondContact O-N 2.88Å; P80-R82 VanDerWaalsContact O-N 3.09Å; R82-I96 WeakPolarHBondContact O-CA 3.2Å; R82-T97 WeakPolarHBondContact CA-OG1 3.15Å; R82-T97 WeakPolarHBondContact CB-O 2.95Å; R82-T97 PolarHBondContact O-N 2.97Å; R82-T97 PolarHBondContact O-OG1 3.23Å; R82-D103 IonicContact CZ-OD1 3.75Å; R82-D103 VanDerWaalsContact CZ-OD1 3.3Å; R82-D103 IonicContact CZ-OD2 3.8Å; R82-D103 IonicContact NE-OD1 2.96Å; R82-D103 PolarHBondContact NE-OD1 3.41Å; R82-D103 VanDerWaalsContact NE-OD1 3.08Å; R82-D103 IonicContact NE-OD2 3.3Å; R82-D103 PolarHBondContact NE-OD2 3.44Å; R82-D103 IonicContact NH2-OD1 2.7Å; R82-D103 PolarHBondContact NH2-OD1 2.97Å; R82-D103 IonicContact NH2-OD2 3.08Å |
| 83 | F | 98.4 | Very high | 97.2 | Very high | 3 Ų | 3 | 57.8 Ų | 57.8 | 1% | 0.013 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 130.7 | 175.4 | -64.4 | -90.5 | 0 | 0 | 0 | 109.9 | L68 R75 V79 P80 A81 L94 T95 I96 D103 Y107 | L68-F83 HydrophobicContact CD1-CD1 4.02Å; L68-F83 HydrophobicContact CD1-CE1 4.15Å; L68-F83 HydrophobicContact CD2-CD1 4.42Å; R75-F83 WeakPolarHBondContact CD-O 3.18Å; R75-F83 PolarHBondContact NH1-O 3.17Å; V79-F83 HydrophobicContact CG1-CB 3.78Å; V79-F83 HydrophobicContact CG1-CD2 3.9Å; V79-F83 HydrophobicContact CG1-CG 4Å; P80-F83 HydrophobicContact CB-CD2 4.04Å; P80-F83 HydrophobicContact CB-CE2 4.27Å; P80-F83 HydrophobicContact CG-CD2 4.27Å; P80-F83 HydrophobicContact CG-CE2 4.16Å; P80-F83 PolarHBondContact O-N 2.85Å; A81-F83 PolarHBondContact O-N 2.9Å; F83-L94 HydrophobicContact CD1-CD1 4.42Å; F83-T95 WeakPolarHBondContact CA-O 2.91Å; F83-I96 HydrophobicContact CD1-CD1 4.15Å; F83-I96 HydrophobicContact CD1-CG1 3.73Å; F83-I96 HydrophobicContact CD1-CG2 4.29Å; F83-I96 HydrophobicContact CE1-CB 4.43Å; F83-I96 HydrophobicContact CE1-CD1 3.62Å; F83-I96 HydrophobicContact CE1-CG1 3.69Å; F83-I96 HydrophobicContact CE1-CG2 3.95Å; F83-I96 HydrophobicContact CZ-CG2 4.17Å; F83-D103 VanDerWaalsContact CZ-OD1 3.28Å; F83-D103 WeakPolarHBondContact CZ-OD1 3.17Å; F83-Y107 HydrophobicContact CE1-CE1 4.04Å |
| 84 | S | 98.3 | Very high | 97.3 | Very high | 49 Ų | 49 | 52.9 Ų | 52.9 | 34% | 0.343 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 144.8 | 173.6 | 57.9 | 0 | 0 | 0 | 0 | 110.8 | L94 T95 | S84-L94 WeakPolarHBondContact O-CA 3.3Å; S84-T95 PolarHBondContact N-O 3.37Å; S84-T95 PolarHBondContact O-N 2.79Å |
| 85 | G | 98 | Very high | 97.3 | Very high | 9 Ų | 9 | 49 Ų | 49 | 9% | 0.093 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 146.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | T72 N73 A93 | T72-G85 CarbonylContact O-C 3.55Å; T72-G85 VanDerWaalsContact O-CA 3.25Å; T72-G85 WeakPolarHBondContact O-CA 3.21Å; N73-G85 VanDerWaalsContact CB-O 3.24Å; N73-G85 WeakPolarHBondContact CB-O 3.32Å; G85-A93 VanDerWaalsContact CA-O 3.26Å; G85-A93 WeakPolarHBondContact CA-O 3.43Å |
| 86 | S | 97.6 | Very high | 97.4 | Very high | 44 Ų | 44 | 43.5 Ų | 43.5 | 31% | 0.308 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 178.5 | -179.6 | 63.1 | 0 | 0 | 0 | 0 | 111.1 | T72 A93 | T72-S86 PolarHBondContact O-N 3.25Å; S86-A93 PolarHBondContact N-O 2.69Å; S86-A93 PolarHBondContact O-N 2.98Å |
| 87 | L | 97.4 | Very high | 97.4 | Very high | 64 Ų | 64 | 45.2 Ų | 45.2 | 34% | 0.335 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 133.8 | 170.4 | -62.8 | 173.6 | 0 | 0 | 0 | 109.3 | V48 T72 K91 | V48-L87 HydrophobicContact CB-CD2 4.37Å; V48-L87 HydrophobicContact CG1-CD2 3.89Å; T72-L87 HydrophobicContact CG2-CD1 4.14Å; T72-L87 HydrophobicContact CG2-CD2 3.79Å; T72-L87 HydrophobicContact CG2-CG 3.59Å; L87-K91 WeakPolarHBondContact CA-O 3.5Å |
| 88 | I | 96.2 | Very high | 97.4 | Very high | 84 Ų | 84 | 40.2 Ų | 40.2 | 43% | 0.431 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 98 | 170.3 | -58.9 | 176.4 | 0 | 0 | 0 | 107.2 | T38 T40 D90 K91 A93 | T38-I88 HydrophobicContact CG2-CD1 3.94Å; T40-I88 HydrophobicContact CG2-CD1 4.37Å; I88-D90 PolarHBondContact O-N 3Å; I88-D90 VanDerWaalsContact O-N 3.13Å; I88-K91 PolarHBondContact N-O 2.9Å; I88-K91 PolarHBondContact O-N 3.47Å; I88-K91 VanDerWaalsContact O-N 3.16Å; I88-A93 HydrophobicContact CD1-CB 3.65Å; I88-A93 HydrophobicContact CG1-CB 3.81Å |
| 89 | G | 95.3 | Very high | 97.5 | Very high | 75 Ų | 75 | 36.6 Ų | 36.6 | 77% | 0.773 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | -114.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 90 | D | 95.3 | Very high | 97.5 | Very high | 55 Ų | 55 | 39.6 Ų | 39.6 | 29% | 0.294 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 8.2 | -178.1 | 69.6 | -28.8 | 0 | 0 | 0 | 114.2 | R42 A47 V48 I88 | R42-D90 IonicContact NH1-OD2 3.72Å; A47-D90 HydrophobicContact CB-CB 3.92Å; V48-D90 WeakPolarHBondContact CB-O 3.46Å; V48-D90 PolarHBondContact N-O 3.01Å; I88-D90 PolarHBondContact O-N 3Å; I88-D90 VanDerWaalsContact O-N 3.13Å |
| 91 | K | 97.3 | Very high | 97.4 | Very high | 64 Ų | 64 | 42.2 Ų | 42.2 | 28% | 0.278 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 146.7 | -172.5 | -39.7 | -173.8 | -138.6 | -55.5 | 0 | 111.2 | C41 R42 L87 I88 | C41-K91 CarbonylContact O-C 3.17Å; C41-K91 WeakPolarHBondContact O-CA 3.47Å; C41-K91 WeakPolarHBondContact O-CB 3.42Å; R42-K91 HydrophobicContact CB-CD 4.49Å; R42-K91 HydrophobicContact CB-CG 4.14Å; L87-K91 WeakPolarHBondContact CA-O 3.5Å; I88-K91 PolarHBondContact N-O 2.9Å; I88-K91 PolarHBondContact O-N 3.47Å; I88-K91 VanDerWaalsContact O-N 3.16Å |
| 92 | A | 97.2 | Very high | 97.2 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 145.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | T40 C41 V48 A54 W56 | T40-A92 CarbonylContact C-O 3.53Å; T40-A92 VanDerWaalsContact CA-O 3.26Å; T40-A92 WeakPolarHBondContact CA-O 3.16Å; C41-A92 HydrophobicContact CB-CB 4.41Å; C41-A92 PolarHBondContact N-O 3.41Å; C41-A92 PolarHBondContact O-N 3.47Å; V48-A92 HydrophobicContact CG1-CB 3.83Å; A54-A92 HydrophobicContact CB-CB 3.23Å; W56-A92 HydrophobicContact CZ2-CB 4.34Å |
| 93 | A | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 141.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | T38 L39 T40 G85 S86 I88 | T38-A93 HydrophobicContact CG2-CB 3.91Å; L39-A93 CarbonylContact O-C 3.52Å; L39-A93 WeakPolarHBondContact O-CA 3.31Å; T40-A93 HydrophobicContact CG2-CB 4.39Å; G85-A93 VanDerWaalsContact CA-O 3.26Å; G85-A93 WeakPolarHBondContact CA-O 3.43Å; S86-A93 PolarHBondContact N-O 2.69Å; S86-A93 PolarHBondContact O-N 2.98Å; I88-A93 HydrophobicContact CD1-CB 3.65Å; I88-A93 HydrophobicContact CG1-CB 3.81Å |
| 94 | L | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 115.1 | 165.3 | 175 | 69.5 | 0 | 0 | 0 | 107.4 | T38 L39 W56 L68 I69 F83 S84 I96 Y107 | T38-L94 CarbonylContact C-O 3.09Å; T38-L94 WeakPolarHBondContact CA-O 3.47Å; L39-L94 HydrophobicContact CB-CB 4.4Å; L39-L94 HydrophobicContact CD1-CD2 4.33Å; L39-L94 PolarHBondContact N-O 3.31Å; L39-L94 PolarHBondContact O-N 2.9Å; W56-L94 HydrophobicContact CB-CD1 4.27Å; W56-L94 HydrophobicContact CB-CD2 4.23Å; W56-L94 HydrophobicContact CD2-CB 3.52Å; W56-L94 HydrophobicContact CD2-CD2 4.03Å; W56-L94 HydrophobicContact CD2-CG 4.27Å; W56-L94 HydrophobicContact CE3-CB 3.86Å; W56-L94 HydrophobicContact CE3-CD2 3.84Å; W56-L94 HydrophobicContact CE3-CG 4.47Å; W56-L94 HydrophobicContact CG-CB 3.92Å; W56-L94 HydrophobicContact CG-CD1 4.2Å; W56-L94 HydrophobicContact CG-CD2 4.22Å; W56-L94 HydrophobicContact CG-CG 4.35Å; W56-L94 HydrophobicContact CH2-CB 4.13Å; W56-L94 HydrophobicContact CZ2-CB 3.83Å; W56-L94 HydrophobicContact CZ3-CB 4.15Å; W56-L94 HydrophobicContact CZ3-CD2 4.47Å; L68-L94 HydrophobicContact CD1-CD1 4.43Å; L68-L94 HydrophobicContact CD1-CD2 3.84Å; I69-L94 HydrophobicContact CG1-CD1 3.72Å; F83-L94 HydrophobicContact CD1-CD1 4.42Å; S84-L94 WeakPolarHBondContact O-CA 3.3Å; L94-I96 HydrophobicContact CG-CG1 4.46Å; L94-Y107 HydrophobicContact CD2-CD1 3.6Å; L94-Y107 HydrophobicContact CD2-CE1 4.04Å; L94-Y107 HydrophobicContact CD2-CG 4.44Å |
| 95 | T | 98.2 | Very high | 96.7 | Very high | 23 Ų | 23 | 48 Ų | 48 | 14% | 0.141 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 130.4 | 177.3 | -52.3 | 0 | 0 | 0 | 0 | 109.5 | T36 V37 F83 S84 T97 | T36-T95 HydrophobicContact CG2-CG2 3.65Å; V37-T95 WeakPolarHBondContact O-CA 3.44Å; F83-T95 WeakPolarHBondContact CA-O 2.91Å; S84-T95 PolarHBondContact N-O 3.37Å; S84-T95 PolarHBondContact O-N 2.79Å; T95-T97 HydrophobicContact CG2-CG2 4.09Å |
| 96 | I | 98.2 | Very high | 96.6 | Very high | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 109 | 174.8 | -46.8 | 174.4 | 0 | 0 | 0 | 106.8 | T36 V37 L39 R82 F83 L94 Y107 | T36-I96 VanDerWaalsContact CA-O 3.31Å; T36-I96 WeakPolarHBondContact CA-O 3.29Å; V37-I96 HydrophobicContact CG1-CB 3.82Å; V37-I96 HydrophobicContact CG1-CD1 4.11Å; V37-I96 HydrophobicContact CG1-CG1 4.23Å; V37-I96 PolarHBondContact N-O 3.04Å; V37-I96 PolarHBondContact O-N 3.24Å; L39-I96 HydrophobicContact CD1-CD1 4.04Å; L39-I96 HydrophobicContact CD1-CG1 4.48Å; R82-I96 WeakPolarHBondContact O-CA 3.2Å; F83-I96 HydrophobicContact CD1-CD1 4.15Å; F83-I96 HydrophobicContact CD1-CG1 3.73Å; F83-I96 HydrophobicContact CD1-CG2 4.29Å; F83-I96 HydrophobicContact CE1-CB 4.43Å; F83-I96 HydrophobicContact CE1-CD1 3.62Å; F83-I96 HydrophobicContact CE1-CG1 3.69Å; F83-I96 HydrophobicContact CE1-CG2 3.95Å; F83-I96 HydrophobicContact CZ-CG2 4.17Å; L94-I96 HydrophobicContact CG-CG1 4.46Å; I96-Y107 HydrophobicContact CD1-CE1 3.94Å; I96-Y107 HydrophobicContact CD1-CE2 4.43Å |
| 97 | T | 98.2 | Very high | 96.6 | Very high | 65 Ų | 65 | 51.1 Ų | 51.1 | 40% | 0.399 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 133.5 | 179.5 | 60.5 | 0 | 0 | 0 | 0 | 111.1 | T36 R82 T95 | T36-T97 HydrophobicContact CG2-CG2 3.94Å; R82-T97 WeakPolarHBondContact CA-OG1 3.15Å; R82-T97 WeakPolarHBondContact CB-O 2.95Å; R82-T97 PolarHBondContact O-N 2.97Å; R82-T97 PolarHBondContact O-OG1 3.23Å; T95-T97 HydrophobicContact CG2-CG2 4.09Å |
| 98 | G | 98 | Very high | 96.5 | Very high | 30 Ų | 30 | 52.1 Ų | 52.1 | 31% | 0.309 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 69 | 51 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | E35 Q100 | E35-G98 WeakPolarHBondContact O-CA 3.35Å; E35-G98 PolarHBondContact O-N 3.21Å; G98-Q100 VanDerWaalsContact O-CG 3.28Å; G98-Q100 WeakPolarHBondContact O-CG 3.48Å; G98-Q100 PolarHBondContact O-N 3.37Å |
| 99 | A | 98 | Very high | 96.5 | Very high | 8 Ų | 8 | 48.7 Ų | 48.7 | 7% | 0.066 | 28% | 0.278 | C | S | . | . | trans | -50.2 | 136.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | T31 P33 G34 E35 | T31-A99 HydrophobicContact CG2-CB 3.76Å; P33-A99 CarbonylContact C-O 3.5Å; P33-A99 VanDerWaalsContact CA-O 3.28Å; P33-A99 WeakPolarHBondContact CA-O 3.28Å; G34-A99 PolarHBondContact N-O 3.25Å; E35-A99 PolarHBondContact O-N 3.21Å | ||
| 100 | Q | 97.2 | Very high | 96.5 | Very high | 80 Ų | 80 | 47.6 Ų | 47.6 | 37% | 0.374 | 26% | 0.262 | S | S | . | . | trans | -119.9 | 161.5 | -178.6 | -47.8 | -172.5 | -73.1 | 0 | 0 | 110.6 | G98 E102 D103 | G98-Q100 VanDerWaalsContact O-CG 3.28Å; G98-Q100 WeakPolarHBondContact O-CG 3.48Å; G98-Q100 PolarHBondContact O-N 3.37Å; Q100-E102 HydrophobicContact CB-CG 4.13Å; Q100-E102 WeakPolarHBondContact CB-OE2 3.39Å; Q100-E102 VanDerWaalsContact CD-OE1 3.3Å; Q100-E102 PolarHBondContact O-N 3.03Å; Q100-E102 PolarHBondContact OE1-OE1 2.94Å; Q100-D103 PolarHBondContact N-OD2 2.93Å; Q100-D103 VanDerWaalsContact O-CB 3.29Å; Q100-D103 WeakPolarHBondContact O-CB 3.23Å; Q100-D103 PolarHBondContact O-N 3.15Å | ||
| 101 | T | 94.5 | Very high | 96.5 | Very high | 106 Ų | 106 | 46.2 Ų | 46.2 | 65% | 0.65 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -59.9 | -34.2 | 179.2 | -55.6 | 0 | 0 | 0 | 0 | 111.7 | D103 E104 | T101-D103 PolarHBondContact O-N 3.39Å; T101-E104 WeakPolarHBondContact O-CB 3.37Å; T101-E104 PolarHBondContact O-N 3.47Å |
| 102 | E | 93.7 | Very high | 96.2 | Very high | 95 Ų | 95 | 50.5 Ų | 50.5 | 44% | 0.444 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -69.5 | -9.2 | 175.3 | 66.4 | -96.9 | -139.9 | 0 | 0 | 114.6 | K60 Q100 E104 | K60-E102 VanDerWaalsContact CE-O 3.26Å; K60-E102 WeakPolarHBondContact CE-O 3.47Å; K60-E102 PolarHBondContact NZ-O 2.9Å; Q100-E102 HydrophobicContact CB-CG 4.13Å; Q100-E102 WeakPolarHBondContact CB-OE2 3.39Å; Q100-E102 VanDerWaalsContact CD-OE1 3.3Å; Q100-E102 PolarHBondContact O-N 3.03Å; Q100-E102 PolarHBondContact OE1-OE1 2.94Å; E102-E104 VanDerWaalsContact C-N 3.3Å |
| 103 | D | 95.2 | Very high | 95.8 | Very high | 11 Ų | 11 | 52.4 Ų | 52.4 | 6% | 0.059 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -84.7 | -6.2 | 176.2 | -60.7 | -32.4 | 0 | 0 | 0 | 111.9 | R82 F83 Q100 T101 A105 Y107 | R82-D103 IonicContact CZ-OD1 3.75Å; R82-D103 VanDerWaalsContact CZ-OD1 3.3Å; R82-D103 IonicContact CZ-OD2 3.8Å; R82-D103 IonicContact NE-OD1 2.96Å; R82-D103 PolarHBondContact NE-OD1 3.41Å; R82-D103 VanDerWaalsContact NE-OD1 3.08Å; R82-D103 IonicContact NE-OD2 3.3Å; R82-D103 PolarHBondContact NE-OD2 3.44Å; R82-D103 IonicContact NH2-OD1 2.7Å; R82-D103 PolarHBondContact NH2-OD1 2.97Å; R82-D103 IonicContact NH2-OD2 3.08Å; F83-D103 VanDerWaalsContact CZ-OD1 3.28Å; F83-D103 WeakPolarHBondContact CZ-OD1 3.17Å; Q100-D103 PolarHBondContact N-OD2 2.93Å; Q100-D103 VanDerWaalsContact O-CB 3.29Å; Q100-D103 WeakPolarHBondContact O-CB 3.23Å; Q100-D103 PolarHBondContact O-N 3.15Å; T101-D103 PolarHBondContact O-N 3.39Å; D103-A105 PolarHBondContact O-N 2.93Å; D103-A105 VanDerWaalsContact O-N 3.12Å; D103-Y107 WeakPolarHBondContact O-CE2 3.12Å; D103-Y107 PolarHBondContact O-OH 3.44Å |
| 104 | E | 94.6 | Very high | 94.7 | Very high | 161 Ų | 161 | 54.7 Ų | 54.7 | 75% | 0.752 | 29% | 0.292 | S | S | * | . | trans | -64.3 | 111.1 | 171.2 | -170.9 | 175.4 | 172.1 | 0 | 0 | 110 | T101 E102 | T101-E104 WeakPolarHBondContact O-CB 3.37Å; T101-E104 PolarHBondContact O-N 3.47Å; E102-E104 VanDerWaalsContact C-N 3.3Å | ||
| 105 | A | 95.2 | Very high | 93.3 | Very high | 28 Ų | 28 | 61 Ų | 61 | 23% | 0.231 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -165.1 | 169.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q58 E59 K60 D103 Y107 | Q58-A105 HydrophobicContact CG-CB 3.44Å; Q58-A105 VanDerWaalsContact CG-CB 3.44Å; E59-A105 WeakPolarHBondContact O-CB 3.44Å; K60-A105 HydrophobicContact CG-CB 3.91Å; D103-A105 PolarHBondContact O-N 2.93Å; D103-A105 VanDerWaalsContact O-N 3.12Å; A105-Y107 HydrophobicContact CB-CD2 4.43Å; A105-Y107 HydrophobicContact CB-CE2 3.86Å; A105-Y107 WeakPolarHBondContact O-CD2 3.38Å |
| 106 | I | 95.7 | Very high | 91.1 | Very high | 98 Ų | 98 | 66.7 Ų | 66.7 | 50% | 0.503 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 133 | 165.6 | -54.5 | 175.8 | 0 | 0 | 0 | 108.1 | Q58 E59 F108 | Q58-I106 WeakPolarHBondContact CA-O 3.36Å; E59-I106 HydrophobicContact CB-CB 4.34Å; E59-I106 PolarHBondContact N-O 3.12Å; E59-I106 PolarHBondContact O-N 3.34Å; I106-F108 HydrophobicContact CB-CE2 4.12Å; I106-F108 HydrophobicContact CB-CZ 4.42Å; I106-F108 HydrophobicContact CG2-CD2 4.18Å; I106-F108 HydrophobicContact CG2-CE1 4.07Å; I106-F108 HydrophobicContact CG2-CE2 3.44Å; I106-F108 VanDerWaalsContact CG2-CE2 3.44Å; I106-F108 HydrophobicContact CG2-CZ 3.4Å |
| 107 | Y | 96.7 | Very high | 88.5 | Confident | 21 Ų | 21 | 79.3 Ų | 79.3 | 8% | 0.082 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 127.2 | 179.7 | -66.6 | -94.4 | 0 | 0 | 0 | 110.3 | Q25 L39 V57 Q58 L68 F83 L94 I96 D103 A105 | Q25-Y107 PolarHBondContact NE2-O 3.37Å; L39-Y107 HydrophobicContact CD2-CD2 4.14Å; L39-Y107 HydrophobicContact CD2-CG 4.01Å; V57-Y107 CarbonylContact O-C 3.59Å; V57-Y107 WeakPolarHBondContact O-CA 3.47Å; Q58-Y107 HydrophobicContact CB-CD1 4.42Å; Q58-Y107 HydrophobicContact CB-CE1 4.31Å; Q58-Y107 HydrophobicContact CG-CD1 4.33Å; Q58-Y107 HydrophobicContact CG-CE1 3.93Å; Q58-Y107 PolarHBondContact NE2-OH 2.85Å; L68-Y107 HydrophobicContact CD1-CD1 3.73Å; L68-Y107 HydrophobicContact CD1-CE1 3.62Å; F83-Y107 HydrophobicContact CE1-CE1 4.04Å; L94-Y107 HydrophobicContact CD2-CD1 3.6Å; L94-Y107 HydrophobicContact CD2-CE1 4.04Å; L94-Y107 HydrophobicContact CD2-CG 4.44Å; I96-Y107 HydrophobicContact CD1-CE1 3.94Å; I96-Y107 HydrophobicContact CD1-CE2 4.43Å; D103-Y107 WeakPolarHBondContact O-CE2 3.12Å; D103-Y107 PolarHBondContact O-OH 3.44Å; A105-Y107 HydrophobicContact CB-CD2 4.43Å; A105-Y107 HydrophobicContact CB-CE2 3.86Å; A105-Y107 WeakPolarHBondContact O-CD2 3.38Å |
| 108 | F | 96 | Very high | 88 | Confident | 85 Ų | 85 | 80 Ų | 80 | 37% | 0.373 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 134.6 | 178.7 | -62.6 | -82.1 | 0 | 0 | 0 | 111.3 | W56 V57 E59 F65 I106 | W56-F108 WeakPolarHBondContact CA-O 3.41Å; V57-F108 PolarHBondContact N-O 3.01Å; V57-F108 PolarHBondContact O-N 3.45Å; E59-F108 HydrophobicContact CB-CD2 4.47Å; E59-F108 HydrophobicContact CB-CE2 3.9Å; E59-F108 WeakPolarHBondContact OE2-CE2 3.47Å; F65-F108 HydrophobicContact CE1-CD2 4.14Å; F65-F108 AromaticContact CE1-CE2 3.9Å; F65-F108 HydrophobicContact CE1-CE2 3.9Å; I106-F108 HydrophobicContact CB-CE2 4.12Å; I106-F108 HydrophobicContact CB-CZ 4.42Å; I106-F108 HydrophobicContact CG2-CD2 4.18Å; I106-F108 HydrophobicContact CG2-CE1 4.07Å; I106-F108 HydrophobicContact CG2-CE2 3.44Å; I106-F108 VanDerWaalsContact CG2-CE2 3.44Å; I106-F108 HydrophobicContact CG2-CZ 3.4Å |
| 109 | C | 96.3 | Very high | 87.4 | Confident | 13 Ų | 13 | 82.6 Ų | 82.6 | 9% | 0.088 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 125.5 | 167.1 | 175.8 | 0 | 0 | 0 | 0 | 110.9 | V23 Q25 C41 N55 W56 | V23-C109 HydrophobicContact CG1-CB 4.42Å; Q25-C109 VanDerWaalsContact OE1-N 3.13Å; C41-C109 HydrophobicContact CB-CB 3.39Å; C41-C109 WeakPolarHBondContact CB-SG 3.05Å; C41-C109 WeakPolarHBondContact SG-CB 3.4Å; C41-C109 CovalentContact SG-SG 2.02Å; C41-C109 PolarHBondContact SG-SG 2.88Å; N55-C109 WeakPolarHBondContact O-CA 3.36Å; W56-C109 HydrophobicContact CD2-CB 4.47Å; W56-C109 HydrophobicContact CE3-CB 4.11Å; W56-C109 HydrophobicContact CH2-CB 4.05Å; W56-C109 HydrophobicContact CZ2-CB 4.38Å; W56-C109 HydrophobicContact CZ3-CB 3.9Å |
| 110 | A | 94.8 | Very high | 86.9 | Confident | 52 Ų | 52 | 86.8 Ų | 86.8 | 43% | 0.43 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 117.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | A54 N55 | A54-A110 CarbonylContact C-O 3.49Å; A54-A110 WeakPolarHBondContact CA-O 3.18Å; N55-A110 PolarHBondContact N-O 2.82Å; N55-A110 PolarHBondContact O-N 3.06Å |
| 111 | L | 94.5 | Very high | 86.3 | Confident | 25 Ų | 25 | 87.2 Ų | 87.2 | 13% | 0.131 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 132.7 | 178.8 | -62.8 | -176.3 | 0 | 0 | 0 | 111.2 | V23 V48 Y53 A54 Y113 | V23-L111 HydrophobicContact CG1-CD1 4.31Å; V23-L111 HydrophobicContact CG1-CG 4.34Å; V23-L111 HydrophobicContact CG2-CB 4.33Å; V23-L111 HydrophobicContact CG2-CD1 3.99Å; V23-L111 HydrophobicContact CG2-CG 4.04Å; V48-L111 HydrophobicContact CG1-CD2 4.03Å; V48-L111 HydrophobicContact CG2-CD1 4Å; V48-L111 HydrophobicContact CG2-CD2 3.9Å; Y53-L111 WeakPolarHBondContact O-CA 3.43Å; A54-L111 HydrophobicContact CB-CD2 3.58Å; L111-Y113 HydrophobicContact CB-CE2 4.11Å; L111-Y113 WeakPolarHBondContact CD1-OH 3.23Å |
| 112 | W | 92.5 | Very high | 85.7 | Confident | 155 Ų | 155 | 86 Ų | 86 | 59% | 0.587 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 123.5 | 170.9 | -174.9 | -89.3 | 0 | 0 | 0 | 109.4 | N52 Y53 | N52-W112 CarbonylContact C-O 3.57Å; N52-W112 VanDerWaalsContact CA-O 3.23Å; N52-W112 WeakPolarHBondContact CA-O 3.47Å; Y53-W112 HydrophobicContact CD2-CB 4.08Å; Y53-W112 HydrophobicContact CE1-CB 4.42Å; Y53-W112 AromaticContact CE1-CD1 3.78Å; Y53-W112 HydrophobicContact CE1-CG 4.36Å; Y53-W112 HydrophobicContact CE2-CB 3.66Å; Y53-W112 HydrophobicContact CE2-CG 4.09Å; Y53-W112 AromaticContact CZ-CD1 3.56Å; Y53-W112 AromaticContact CZ-CG 3.8Å; Y53-W112 PolarHBondContact N-O 2.81Å; Y53-W112 VanDerWaalsContact N-O 3.13Å; Y53-W112 PolarHBondContact O-N 3.21Å |
| 113 | Y | 87.4 | Confident | 85.2 | Confident | 41 Ų | 41 | 85.4 Ų | 85.4 | 16% | 0.161 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 125.9 | 177.6 | -52.5 | -85.3 | 0 | 0 | 0 | 109.5 | A21 S43 N52 L111 N115 | A21-Y113 HydrophobicContact CB-CE2 4.46Å; S43-Y113 WeakPolarHBondContact CB-OH 3.41Å; S43-Y113 WeakPolarHBondContact OG-CE1 3.05Å; S43-Y113 PolarHBondContact OG-OH 3.37Å; N52-Y113 HydrophobicContact CB-CD1 4.15Å; N52-Y113 WeakPolarHBondContact OD1-CA 3.48Å; L111-Y113 HydrophobicContact CB-CE2 4.11Å; L111-Y113 WeakPolarHBondContact CD1-OH 3.23Å; Y113-N115 VanDerWaalsContact C-N 3.3Å; Y113-N115 PolarHBondContact O-N 3.31Å |
| 114 | S | 76.6 | Confident | 84.5 | Confident | 48 Ų | 48 | 90.7 Ų | 90.7 | 34% | 0.336 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -22.3 | 179.5 | 37.9 | 0 | 0 | 0 | 0 | 113.4 | S51 N52 | S51-S114 WeakPolarHBondContact O-CB 3.26Å; S51-S114 PolarHBondContact O-OG 3.29Å; N52-S114 PolarHBondContact OD1-N 3.37Å; N52-S114 PolarHBondContact OD1-OG 3.47Å |
| 115 | N | 67.4 | Low | 83.7 | Confident | 133 Ų | 133 | 85.3 Ų | 85.3 | 71% | 0.711 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | 39.2 | -172.9 | -61.7 | -21.5 | 0 | 0 | 0 | 114.1 | Y113 | Y113-N115 VanDerWaalsContact C-N 3.3Å; Y113-N115 PolarHBondContact O-N 3.31Å |
| 116 | H | 53.4 | Low | 82.8 | Confident | 141 Ų | 141 | 90.1 Ų | 90.1 | 65% | 0.653 | 44% | 0.436 | S | S | * | . | trans | -97.6 | 74.7 | 166.7 | -90.5 | -67.9 | 0 | 0 | 0 | 110.6 | ||||
| 117 | F | 42.1 | Very low | 81.6 | Confident | 269 Ų | 269 | 89.4 Ų | 89.4 | 100% | 1.18 | 43% | 0.43 | S | S | * | . | trans | -134.6 | 0 | 155.4 | -62.7 | -75.1 | 0 | 0 | 0 | 107.8 |
Retrieved 117 of 117 residues in 78.7 ms
(Link to these results)