| 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 | 61.5 | Low | 67.4 | Low | 199 Ų | 199 | 109.1 Ų | 109.1 | 98% | 0.98 | 60% | 0.597 | S | S | * | * | 0 | -43.5 | 0 | -68.4 | -170.9 | 75.4 | 0 | 0 | 113.2 | L3 L4 L5 | M1-L3 PolarHBondContact O-N 3.39Å; M1-L4 WeakPolarHBondContact O-CB 3.45Å; M1-L4 PolarHBondContact O-N 2.81Å; M1-L5 PolarHBondContact O-N 3.15Å | |||
| 2 | V | 65.9 | Low | 66.7 | Low | 109 Ų | 109 | 110.5 Ų | 110.5 | 66% | 0.661 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -62.8 | -40.9 | 179.5 | -178.6 | 0 | 0 | 0 | 0 | 113.4 | L4 L5 L6 | V2-L4 VanDerWaalsContact C-N 3.29Å; V2-L4 PolarHBondContact O-N 2.77Å; V2-L5 PolarHBondContact O-N 3.49Å; V2-L6 HydrophobicContact CG1-CD1 4.35Å; V2-L6 WeakPolarHBondContact O-CG 3.46Å; V2-L6 PolarHBondContact O-N 3.45Å; V2-L6 VanDerWaalsContact O-N 3.15Å |
| 3 | L | 69.7 | Low | 66.1 | Low | 137 Ų | 137 | 109.2 Ų | 109.2 | 72% | 0.717 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66.1 | -30 | 178.2 | -157.2 | 77.3 | 0 | 0 | 0 | 113.2 | M1 V7 | M1-L3 PolarHBondContact O-N 3.39Å; L3-V7 PolarHBondContact O-N 3Å |
| 4 | L | 72.8 | Confident | 65.4 | Low | 133 Ų | 133 | 111.4 Ų | 111.4 | 70% | 0.696 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -70.5 | -37.2 | 178.1 | -120.7 | 156.6 | 0 | 0 | 0 | 111 | M1 V2 A8 | M1-L4 WeakPolarHBondContact O-CB 3.45Å; M1-L4 PolarHBondContact O-N 2.81Å; V2-L4 VanDerWaalsContact C-N 3.29Å; V2-L4 PolarHBondContact O-N 2.77Å; L4-A8 WeakPolarHBondContact O-CB 3.43Å; L4-A8 PolarHBondContact O-N 2.96Å |
| 5 | L | 69.9 | Low | 64.6 | Low | 104 Ų | 104 | 111 Ų | 111 | 55% | 0.545 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -71 | -37.9 | 175.7 | -70 | 167.9 | 0 | 0 | 0 | 112.2 | M1 V2 V7 A8 I9 | M1-L5 PolarHBondContact O-N 3.15Å; V2-L5 PolarHBondContact O-N 3.49Å; L5-V7 PolarHBondContact O-N 3.44Å; L5-A8 PolarHBondContact O-N 3.42Å; L5-I9 HydrophobicContact CB-CD1 4.34Å; L5-I9 WeakPolarHBondContact O-CB 3.4Å; L5-I9 WeakPolarHBondContact O-CD1 3.5Å; L5-I9 VanDerWaalsContact O-CG1 3.24Å; L5-I9 WeakPolarHBondContact O-CG1 3.4Å; L5-I9 PolarHBondContact O-N 3.44Å; L5-I9 VanDerWaalsContact O-N 3.15Å |
| 6 | L | 73 | Confident | 63.9 | Low | 116 Ų | 116 | 109.9 Ų | 109.9 | 61% | 0.607 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.6 | -25.2 | 178.2 | -72.9 | 171.9 | 0 | 0 | 0 | 113.6 | V2 P10 | V2-L6 HydrophobicContact CG1-CD1 4.35Å; V2-L6 WeakPolarHBondContact O-CG 3.46Å; V2-L6 PolarHBondContact O-N 3.45Å; V2-L6 VanDerWaalsContact O-N 3.15Å; L6-P10 WeakPolarHBondContact O-CD 3.43Å; L6-P10 VanDerWaalsContact O-CG 3.25Å; L6-P10 WeakPolarHBondContact O-CG 3.47Å |
| 7 | V | 71.9 | Confident | 63.2 | Low | 88 Ų | 88 | 116.3 Ų | 116.3 | 53% | 0.533 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -96.3 | -36.3 | 177.7 | -179.8 | 0 | 0 | 0 | 0 | 111.8 | L3 L5 P10 L11 | L3-V7 PolarHBondContact O-N 3Å; L5-V7 PolarHBondContact O-N 3.44Å; V7-P10 WeakPolarHBondContact O-CD 3.46Å; V7-L11 HydrophobicContact CG1-CD1 3.94Å; V7-L11 WeakPolarHBondContact O-CD1 3.45Å |
| 8 | A | 68.9 | Low | 62.7 | Low | 36 Ų | 36 | 112.9 Ų | 112.9 | 30% | 0.298 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -70.7 | -37.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L4 L5 L11 L12 | L4-A8 WeakPolarHBondContact O-CB 3.43Å; L4-A8 PolarHBondContact O-N 2.96Å; L5-A8 PolarHBondContact O-N 3.42Å; A8-L11 PolarHBondContact O-N 3.11Å; A8-L12 WeakPolarHBondContact O-CB 3.16Å; A8-L12 PolarHBondContact O-N 2.81Å |
| 9 | I | 65.6 | Low | 61.7 | Low | 99 Ų | 99 | 113.7 Ų | 113.7 | 51% | 0.508 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -67.3 | -46.5 | -176.7 | -63.5 | 166.2 | 0 | 0 | 0 | 111.8 | L5 L11 L12 V13 | L5-I9 HydrophobicContact CB-CD1 4.34Å; L5-I9 WeakPolarHBondContact O-CB 3.4Å; L5-I9 WeakPolarHBondContact O-CD1 3.5Å; L5-I9 VanDerWaalsContact O-CG1 3.24Å; L5-I9 WeakPolarHBondContact O-CG1 3.4Å; L5-I9 PolarHBondContact O-N 3.44Å; L5-I9 VanDerWaalsContact O-N 3.15Å; I9-L11 VanDerWaalsContact C-N 3.31Å; I9-L11 PolarHBondContact O-N 2.7Å; I9-L12 PolarHBondContact O-N 2.74Å; I9-V13 VanDerWaalsContact O-CG2 3.31Å; I9-V13 WeakPolarHBondContact O-CG2 3.31Å; I9-V13 PolarHBondContact O-N 3.36Å; I9-V13 VanDerWaalsContact O-N 3.11Å |
| 10 | P | 60.1 | Low | 60.8 | Low | 64 Ų | 64 | 112.8 Ų | 112.8 | 42% | 0.416 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -62.9 | -34.2 | 175.6 | -24.2 | 34.9 | 0 | 0 | 0 | 113.9 | L6 V7 H14 | L6-P10 WeakPolarHBondContact O-CD 3.43Å; L6-P10 VanDerWaalsContact O-CG 3.25Å; L6-P10 WeakPolarHBondContact O-CG 3.47Å; V7-P10 WeakPolarHBondContact O-CD 3.46Å; P10-H14 PolarHBondContact O-N 3.14Å; P10-H14 PolarHBondContact O-ND1 3.06Å |
| 11 | L | 61.9 | Low | 59.7 | Low | 115 Ų | 115 | 114.8 Ų | 114.8 | 60% | 0.602 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -69.7 | -41.3 | 177.9 | -83.5 | 165.7 | 0 | 0 | 0 | 112.1 | V7 A8 I9 V13 H14 S15 | V7-L11 HydrophobicContact CG1-CD1 3.94Å; V7-L11 WeakPolarHBondContact O-CD1 3.45Å; A8-L11 PolarHBondContact O-N 3.11Å; I9-L11 VanDerWaalsContact C-N 3.31Å; I9-L11 PolarHBondContact O-N 2.7Å; L11-V13 VanDerWaalsContact C-N 3.35Å; L11-H14 PolarHBondContact O-N 2.8Å; L11-S15 WeakPolarHBondContact O-CB 3.49Å; L11-S15 PolarHBondContact O-N 3.39Å |
| 12 | L | 58.8 | Low | 59 | Low | 126 Ų | 126 | 114.8 Ų | 114.8 | 66% | 0.66 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -64.2 | -38.4 | 174.3 | -85.1 | 156.5 | 0 | 0 | 0 | 112.1 | A8 I9 S15 | A8-L12 WeakPolarHBondContact O-CB 3.16Å; A8-L12 PolarHBondContact O-N 2.81Å; I9-L12 PolarHBondContact O-N 2.74Å; L12-S15 PolarHBondContact O-N 2.81Å |
| 13 | V | 59.5 | Low | 58 | Low | 93 Ų | 93 | 116 Ų | 116 | 56% | 0.564 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -72 | -33.5 | 177.9 | 174.9 | 0 | 0 | 0 | 0 | 112.2 | I9 L11 | I9-V13 VanDerWaalsContact O-CG2 3.31Å; I9-V13 WeakPolarHBondContact O-CG2 3.31Å; I9-V13 PolarHBondContact O-N 3.36Å; I9-V13 VanDerWaalsContact O-N 3.11Å; L11-V13 VanDerWaalsContact C-N 3.35Å |
| 14 | H | 55.7 | Low | 56.8 | Low | 141 Ų | 141 | 117.7 Ų | 117.7 | 65% | 0.653 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -75 | -27.1 | 174.5 | -82.4 | 82.2 | 0 | 0 | 0 | 113.2 | P10 L11 S16 | P10-H14 PolarHBondContact O-N 3.14Å; P10-H14 PolarHBondContact O-ND1 3.06Å; L11-H14 PolarHBondContact O-N 2.8Å; H14-S16 VanDerWaalsContact C-N 3.29Å; H14-S16 PolarHBondContact O-N 3.25Å |
| 15 | S | 54.1 | Low | 55.8 | Low | 105 Ų | 105 | 118.5 Ų | 118.5 | 73% | 0.734 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -10.5 | 178.3 | -168.4 | 0 | 0 | 0 | 0 | 113.9 | L11 L12 | L11-S15 WeakPolarHBondContact O-CB 3.49Å; L11-S15 PolarHBondContact O-N 3.39Å; L12-S15 PolarHBondContact O-N 2.81Å |
| 16 | S | 52.7 | Low | 54.9 | Low | 93 Ų | 93 | 116.4 Ų | 116.4 | 65% | 0.65 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | 7.2 | -175.8 | 91.3 | 0 | 0 | 0 | 0 | 115 | H14 G18 | H14-S16 VanDerWaalsContact C-N 3.29Å; H14-S16 PolarHBondContact O-N 3.25Å; S16-G18 VanDerWaalsContact C-N 3.25Å; S16-G18 PolarHBondContact O-N 3.05Å |
| 17 | R | 52.1 | Low | 53.7 | Low | 219 Ų | 219 | 122.7 Ų | 122.7 | 83% | 0.826 | 67% | 0.665 | S | S | * | * | trans | -82.7 | 71.1 | 172.1 | -78.8 | -176.4 | 176.6 | 164.2 | -0 | 110.8 | ||||
| 18 | G | 53.9 | Low | 52.5 | Low | 56 Ų | 56 | 125.2 Ų | 125.2 | 58% | 0.577 | 68% | 0.684 | S | S | * | * | trans | -67.9 | 146.9 | 156.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | S16 A20 | S16-G18 VanDerWaalsContact C-N 3.25Å; S16-G18 PolarHBondContact O-N 3.05Å; G18-A20 PolarHBondContact O-N 3.25Å | ||
| 19 | P | 43.6 | Very low | 51.7 | Low | 128 Ų | 128 | 134.3 Ų | 134.3 | 83% | 0.831 | 71% | 0.711 | S | S | * | * | trans | -66.2 | 107.5 | 171.8 | 27.1 | -29.9 | 0 | 0 | 0 | 107.9 | H21 | P19-H21 PolarHBondContact O-N 3.33Š| ||
| 20 | A | 44.4 | Very low | 50.9 | Low | 94 Ų | 94 | 137.6 Ų | 137.6 | 78% | 0.777 | 73% | 0.726 | S | S | * | * | trans | -70.3 | 86.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | G18 Y22 | G18-A20 PolarHBondContact O-N 3.25Å; A20-Y22 PolarHBondContact O-N 3.5Å | ||
| 21 | H | 38.5 | Very low | 50.4 | Low | 155 Ų | 155 | 140.3 Ų | 140.3 | 72% | 0.718 | 74% | 0.741 | S | S | * | * | trans | -78.4 | 98.4 | 169.8 | -162.7 | -92.8 | 0 | 0 | 0 | 107.3 | P19 E23 | P19-H21 PolarHBondContact O-N 3.33Å; H21-E23 PolarHBondContact O-N 3.29Å | ||
| 22 | Y | 46.7 | Very low | 49.8 | Very low | 199 Ų | 199 | 139.5 Ų | 139.5 | 78% | 0.78 | 74% | 0.744 | S | S | * | * | trans | -86.1 | 107.5 | 169.8 | 62.8 | -85.9 | 0 | 0 | 0 | 107.7 | A20 M24 | A20-Y22 PolarHBondContact O-N 3.5Å; Y22-M24 HydrophobicContact CD2-CG 4.3Å | ||
| 23 | E | 43.2 | Very low | 48.9 | Very low | 135 Ų | 135 | 139.6 Ų | 139.6 | 63% | 0.631 | 75% | 0.745 | S | S | * | * | trans | -94.7 | 99.8 | 172.3 | -139.8 | 177.1 | -177.6 | 0 | 0 | 107.3 | H21 L25 | H21-E23 PolarHBondContact O-N 3.29Å; E23-L25 HydrophobicContact CB-CD1 4.46Å; E23-L25 HydrophobicContact CG-CD1 4.02Å; E23-L25 HydrophobicContact CG-CG 4.09Å; E23-L25 PolarHBondContact O-N 3.14Å | ||
| 24 | M | 45.8 | Very low | 48.3 | Very low | 173 Ų | 173 | 140.6 Ų | 140.6 | 85% | 0.852 | 75% | 0.754 | S | S | * | * | trans | -76.3 | 71.9 | 170.9 | -72.9 | -79.7 | -82.3 | 0 | 0 | 108.8 | Y22 G26 | Y22-M24 HydrophobicContact CD2-CG 4.3Å; M24-G26 PolarHBondContact O-N 3.4Å | ||
| 25 | L | 52.2 | Low | 47.9 | Very low | 149 Ų | 149 | 142.8 Ų | 142.8 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | trans | -78.3 | 69.2 | 169 | -79.6 | 161.7 | 0 | 0 | 0 | 109.4 | E23 | E23-L25 HydrophobicContact CB-CD1 4.46Å; E23-L25 HydrophobicContact CG-CD1 4.02Å; E23-L25 HydrophobicContact CG-CG 4.09Å; E23-L25 PolarHBondContact O-N 3.14Å | ||
| 26 | G | 50.1 | Low | 47.3 | Very low | 61 Ų | 61 | 140.4 Ų | 140.4 | 63% | 0.629 | 76% | 0.756 | S | S | * | * | trans | -132.1 | 110 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | M24 C28 | M24-G26 PolarHBondContact O-N 3.4Å; G26-C28 PolarHBondContact O-N 2.76Å | ||
| 27 | R | 48.1 | Very low | 47 | Very low | 248 Ų | 248 | 142.4 Ų | 142.4 | 94% | 0.936 | 77% | 0.766 | S | S | * | * | trans | -75.3 | 112.1 | 165.2 | -70.9 | 178.4 | 175.4 | 172.5 | -1.4 | 107.7 | R29 | R27-R29 PolarHBondContact O-N 3.22Š| ||
| 28 | C | 46.7 | Very low | 46.8 | Very low | 140 Ų | 140 | 143.7 Ų | 143.7 | 95% | 0.946 | 77% | 0.771 | S | S | * | * | trans | -65 | 114.2 | 165.6 | -78.5 | 0 | 0 | 0 | 0 | 108.7 | G26 | G26-C28 PolarHBondContact O-N 2.76Š| ||
| 29 | R | 51 | Low | 46.2 | Very low | 228 Ų | 228 | 144.1 Ų | 144.1 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | -109.7 | 123 | 170.1 | -170.7 | 175.9 | 178.3 | 164.3 | -0.3 | 107.9 | R27 V31 | R27-R29 PolarHBondContact O-N 3.22Å; R29-V31 PolarHBondContact O-N 3.31Å | ||
| 30 | M | 50.8 | Low | 46.4 | Very low | 167 Ų | 167 | 144.7 Ų | 144.7 | 82% | 0.823 | 78% | 0.779 | S | S | * | * | trans | -61.3 | 120.9 | 166.2 | -80.6 | -159.6 | -74.2 | 0 | 0 | 108.8 | ||||
| 31 | V | 49.3 | Very low | 46.2 | Very low | 122 Ų | 122 | 143.4 Ų | 143.4 | 74% | 0.739 | 78% | 0.776 | S | S | * | * | trans | -93.2 | 89.5 | 162.2 | -176.5 | 0 | 0 | 0 | 0 | 105.9 | R29 | R29-V31 PolarHBondContact O-N 3.31Š| ||
| 32 | C | 48.6 | Very low | 46.8 | Very low | 97 Ų | 97 | 141.5 Ų | 141.5 | 66% | 0.655 | 78% | 0.777 | S | S | * | * | trans | -88.2 | 99.8 | 159.9 | -61.4 | 0 | 0 | 0 | 0 | 106 | ||||
| 33 | D | 40.5 | Very low | 46.4 | Very low | 128 Ų | 128 | 139.8 Ų | 139.8 | 68% | 0.684 | 78% | 0.781 | S | S | * | * | trans | -69.8 | 128 | 163.9 | -94.7 | -23.4 | 0 | 0 | 0 | 108.5 | H35 | D33-H35 PolarHBondContact O-N 3.27Š| ||
| 34 | P | 47 | Very low | 46.2 | Very low | 115 Ų | 115 | 137.2 Ų | 137.2 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | trans | -80.2 | 105 | 173.1 | 30.8 | -29.7 | 0 | 0 | 0 | 108.8 | G36 | P34-G36 VanDerWaalsContact C-N 3.29Å; P34-G36 PolarHBondContact O-N 2.85Å | ||
| 35 | H | 46.1 | Very low | 46.2 | Very low | 187 Ų | 187 | 133.8 Ų | 133.8 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | trans | -70.4 | 93.9 | 158.4 | -75.3 | -54.2 | 0 | 0 | 0 | 108.5 | D33 | D33-H35 PolarHBondContact O-N 3.27Š| ||
| 36 | G | 42.4 | Very low | 45.9 | Very low | 55 Ų | 55 | 133 Ų | 133 | 57% | 0.567 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 152 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | P34 R38 | P34-G36 VanDerWaalsContact C-N 3.29Å; P34-G36 PolarHBondContact O-N 2.85Å; G36-R38 PolarHBondContact O-N 2.75Å |
| 37 | P | 47.1 | Very low | 45.4 | Very low | 134 Ų | 134 | 135 Ų | 135 | 87% | 0.87 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 125.6 | -178.9 | 27.8 | -31.5 | 0 | 0 | 0 | 110.5 | ||
| 38 | R | 46.2 | Very low | 45.2 | Very low | 247 Ų | 247 | 129 Ų | 129 | 93% | 0.932 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 123.6 | 165.5 | -80.9 | -177.1 | 178.5 | 177.6 | -0.1 | 108.9 | G36 | G36-R38 PolarHBondContact O-N 2.75Š|
| 39 | G | 41.3 | Very low | 45 | Very low | 64 Ų | 64 | 129 Ų | 129 | 66% | 0.66 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 163.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 40 | P | 47.9 | Very low | 44.8 | Very low | 140 Ų | 140 | 123.4 Ų | 123.4 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 124.7 | 178.7 | 27.5 | -21.8 | 0 | 0 | 0 | 110.9 | ||
| 41 | G | 41.8 | Very low | 45 | Very low | 68 Ų | 68 | 121.4 Ų | 121.4 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 159.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 42 | P | 49.6 | Very low | 44.8 | Very low | 114 Ų | 114 | 125.1 Ų | 125.1 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 164.4 | -170.7 | 37.9 | -34.8 | 0 | 0 | 0 | 114 | ||
| 43 | D | 40 | Very low | 45.3 | Very low | 164 Ų | 164 | 126.2 Ų | 126.2 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | 81.1 | 126.4 | 154.8 | -54.7 | -27.5 | 0 | 0 | 0 | 121 | ||||
| 44 | G | 38.7 | Very low | 46.3 | Very low | 81 Ų | 81 | 126.2 Ų | 126.2 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | 149.5 | 61.1 | 159.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 45 | A | 44.9 | Very low | 46.6 | Very low | 100 Ų | 100 | 124.5 Ų | 124.5 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 129.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 46 | P | 46.1 | Very low | 47 | Very low | 132 Ų | 132 | 120.9 Ų | 120.9 | 86% | 0.857 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 159.5 | 174.2 | 33.8 | -29 | 0 | 0 | 0 | 113 | ||
| 47 | A | 38.9 | Very low | 47.9 | Very low | 105 Ų | 105 | 128.3 Ų | 128.3 | 87% | 0.868 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 151.9 | -165.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 48 | S | 43.9 | Very low | 48.3 | Very low | 120 Ų | 120 | 125.4 Ų | 125.4 | 84% | 0.839 | 83% | 0.827 | S | S | * | * | trans | -137.5 | 143.4 | 157.3 | 68.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 49 | V | 42.4 | Very low | 49 | Very low | 142 Ų | 142 | 123.2 Ų | 123.2 | 86% | 0.861 | 83% | 0.827 | S | S | * | * | trans | -83.9 | 146.7 | -160.5 | 179.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 50 | S | 46.5 | Very low | 50.2 | Low | 110 Ų | 110 | 127 Ų | 127 | 77% | 0.769 | 84% | 0.837 | S | S | * | * | trans | -74.9 | 154.8 | 175.6 | -45.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 51 | P | 54.9 | Low | 50.7 | Low | 124 Ų | 124 | 123.7 Ų | 123.7 | 81% | 0.805 | 83% | 0.829 | S | S | * | * | trans | -127.5 | 161.4 | 140.7 | 7.7 | 14.9 | 0 | 0 | 0 | 115.1 | ||||
| 52 | F | 46.4 | Very low | 51.7 | Low | 201 Ų | 201 | 132.5 Ų | 132.5 | 88% | 0.882 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 161.6 | -161.4 | -69.5 | -99.8 | 0 | 0 | 0 | 118.2 | ||
| 53 | P | 58.8 | Low | 52.7 | Low | 119 Ų | 119 | 138.7 Ų | 138.7 | 77% | 0.773 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -91 | 138.3 | 174.2 | 33.8 | -30.2 | 0 | 0 | 0 | 113.8 | ||
| 54 | P | 60.4 | Low | 53.9 | Low | 129 Ų | 129 | 134.2 Ų | 134.2 | 84% | 0.838 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 141.4 | 163.9 | -13.2 | 30.6 | 0 | 0 | 0 | 113.2 | ||
| 55 | G | 54.1 | Low | 55.1 | Low | 79 Ų | 79 | 140.5 Ų | 140.5 | 81% | 0.814 | 85% | 0.847 | S | S | * | * | trans | -79.6 | 176.7 | -169.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 56 | A | 54.6 | Low | 56.3 | Low | 110 Ų | 110 | 140.3 Ų | 140.3 | 91% | 0.909 | 85% | 0.845 | S | S | * | * | trans | -72.2 | 142.6 | -167.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 57 | K | 60.7 | Low | 57.2 | Low | 212 Ų | 212 | 137.5 Ų | 137.5 | 92% | 0.922 | 84% | 0.84 | S | S | * | * | trans | -121.3 | 131.7 | 166.8 | -165.7 | 175.3 | -177.5 | -177.8 | 0 | 109.6 | ||||
| 58 | G | 55.8 | Low | 58.7 | Low | 72 Ų | 72 | 141 Ų | 141 | 74% | 0.742 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 169.4 | -163.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 59 | E | 60.4 | Low | 60.1 | Low | 202 Ų | 202 | 146.8 Ų | 146.8 | 94% | 0.944 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 134.5 | -172.2 | -63.2 | -176.1 | 138.5 | 0 | 0 | 113.1 | ||
| 60 | V | 66.7 | Low | 61.6 | Low | 142 Ų | 142 | 142.6 Ų | 142.6 | 86% | 0.861 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 133.3 | 166.4 | 177.1 | 0 | 0 | 0 | 0 | 108.8 | ||
| 61 | G | 58.2 | Low | 63.2 | Low | 72 Ų | 72 | 143.1 Ų | 143.1 | 74% | 0.742 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 149.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | R63 | G61-R63 PolarHBondContact O-N 3.46Š|
| 62 | R | 63.9 | Low | 64.5 | Low | 252 Ų | 252 | 143.2 Ų | 143.2 | 95% | 0.951 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 122.7 | -174 | -69.1 | -178.9 | 176.8 | -179.8 | -0.9 | 112.2 | ||
| 63 | R | 71.1 | Confident | 65.9 | Low | 244 Ų | 244 | 136.5 Ų | 136.5 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 136.5 | 166.3 | -166.7 | 173.2 | -179.6 | -178.9 | -0.1 | 109.8 | G61 | G61-R63 PolarHBondContact O-N 3.46Š|
| 64 | G | 64.9 | Low | 67 | Low | 71 Ų | 71 | 136.7 Ų | 136.7 | 73% | 0.732 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 146 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | A66 | G64-A66 PolarHBondContact O-N 2.93Š|
| 65 | K | 64.4 | Low | 68.2 | Low | 213 Ų | 213 | 136.6 Ų | 136.6 | 93% | 0.926 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 125.3 | -172.9 | -64.4 | -175.5 | -179.8 | -177.4 | 0 | 111.1 | ||
| 66 | A | 68.8 | Low | 69.4 | Low | 95 Ų | 95 | 135.9 Ų | 135.9 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 140.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | G64 | G64-A66 PolarHBondContact O-N 2.93Š|
| 67 | G | 65.8 | Low | 70.9 | Confident | 73 Ų | 73 | 136.9 Ų | 136.9 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 143.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | R69 | G67-R69 PolarHBondContact O-N 3.14Å; G67-R69 VanDerWaalsContact O-N 3.14Å |
| 68 | L | 69.9 | Low | 72 | Confident | 178 Ų | 178 | 138.4 Ų | 138.4 | 93% | 0.932 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 118 | -177.4 | -67 | 170.3 | 0 | 0 | 0 | 109.7 | G70 | L68-G70 PolarHBondContact O-N 2.98Š|
| 69 | R | 74.2 | Confident | 73.2 | Confident | 243 Ų | 243 | 137.3 Ų | 137.3 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 129 | 167.5 | -171.9 | 175 | -179.2 | -179.1 | -0.1 | 107.3 | G67 | G67-R69 PolarHBondContact O-N 3.14Å; G67-R69 VanDerWaalsContact O-N 3.14Å |
| 70 | G | 73.8 | Confident | 74.4 | Confident | 53 Ų | 53 | 133.5 Ų | 133.5 | 55% | 0.546 | 79% | 0.793 | S | S | . | * | P | Polyproline II helix | trans | -53 | 149.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L68 | L68-G70 PolarHBondContact O-N 2.98Š|
| 71 | P | 79.6 | Confident | 75.4 | Confident | 122 Ų | 122 | 132.8 Ų | 132.8 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 139.1 | -178.1 | 23.5 | -32.3 | 0 | 0 | 0 | 110 | G73 | P71-G73 PolarHBondContact O-N 2.92Š|
| 72 | P | 81.1 | Confident | 76.4 | Confident | 125 Ų | 125 | 132.8 Ų | 132.8 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 139.6 | 168.9 | -24.4 | 33.8 | 0 | 0 | 0 | 110 | ||
| 73 | G | 76.6 | Confident | 77.5 | Confident | 61 Ų | 61 | 129.7 Ų | 129.7 | 63% | 0.629 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 152.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | P71 | P71-G73 PolarHBondContact O-N 2.92Š|
| 74 | P | 83 | Confident | 78.3 | Confident | 122 Ų | 122 | 124 Ų | 124 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 142.2 | 178.3 | 24.3 | -32.8 | 0 | 0 | 0 | 110.3 | G76 | P74-G76 PolarHBondContact O-N 3.09Š|
| 75 | P | 84.6 | Confident | 79 | Confident | 128 Ų | 128 | 124 Ų | 124 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -52 | 139.1 | 171.9 | -25.5 | 34.2 | 0 | 0 | 0 | 110.7 | ||
| 76 | G | 79.1 | Confident | 80.1 | Confident | 63 Ų | 63 | 125.2 Ų | 125.2 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 154.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | P74 | P74-G76 PolarHBondContact O-N 3.09Š|
| 77 | P | 85.6 | Confident | 81 | Confident | 132 Ų | 132 | 126.8 Ų | 126.8 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 142.5 | 177.4 | 25.3 | -33.1 | 0 | 0 | 0 | 110.5 | G79 | P77-G79 PolarHBondContact O-N 2.77Š|
| 78 | R | 84.9 | Confident | 81.5 | Confident | 243 Ų | 243 | 126.2 Ų | 126.2 | 92% | 0.917 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 133.2 | 173.4 | -174.6 | 178.3 | 175 | -179.3 | -1.1 | 108.7 | ||
| 79 | G | 81.1 | Confident | 82 | Confident | 49 Ų | 49 | 123.5 Ų | 123.5 | 51% | 0.505 | 77% | 0.77 | S | S | . | * | P | Polyproline II helix | trans | -58.6 | 157.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | P77 | P77-G79 PolarHBondContact O-N 2.77Š|
| 80 | P | 85.4 | Confident | 82.5 | Confident | 122 Ų | 122 | 118 Ų | 118 | 79% | 0.792 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 147.8 | 179.2 | 25.2 | -33.1 | 0 | 0 | 0 | 111.1 | ||
| 81 | P | 87.1 | Confident | 82.2 | Confident | 127 Ų | 127 | 118.2 Ų | 118.2 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 140.6 | 171 | -23.9 | 33.9 | 0 | 0 | 0 | 111.1 | ||
| 82 | G | 80.6 | Confident | 81.8 | Confident | 73 Ų | 73 | 118.2 Ų | 118.2 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 150.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 83 | E | 85.6 | Confident | 81.5 | Confident | 187 Ų | 187 | 118.3 Ų | 118.3 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 144.4 | 177.5 | -65.9 | -171.5 | 155.4 | 0 | 0 | 111.1 | G85 | E83-G85 PolarHBondContact O-N 3.22Š|
| 84 | P | 88 | Confident | 80.6 | Confident | 125 Ų | 125 | 118 Ų | 118 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 138.3 | 173.2 | -25.3 | 34.2 | 0 | 0 | 0 | 111.6 | ||
| 85 | G | 80.6 | Confident | 79.6 | Confident | 70 Ų | 70 | 118 Ų | 118 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 148.7 | 173 | 0 | 0 | 0 | 0 | 0 | 111.1 | E83 | E83-G85 PolarHBondContact O-N 3.22Š|
| 86 | R | 85.9 | Confident | 78.2 | Confident | 239 Ų | 239 | 114 Ų | 114 | 90% | 0.902 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 143.2 | 176.2 | -64.3 | -176.9 | -177.2 | -165.2 | 0.4 | 109.7 | G88 | R86-G88 PolarHBondContact O-N 3.39Š|
| 87 | P | 88.6 | Confident | 77 | Confident | 128 Ų | 128 | 118.5 Ų | 118.5 | 83% | 0.831 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -51 | 142.2 | 170.8 | -25.6 | 34.2 | 0 | 0 | 0 | 111 | ||
| 88 | G | 76.3 | Confident | 75.2 | Confident | 61 Ų | 61 | 115.6 Ų | 115.6 | 63% | 0.629 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 158.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | R86 | R86-G88 PolarHBondContact O-N 3.39Š|
| 89 | P | 80.1 | Confident | 73.3 | Confident | 121 Ų | 121 | 105.9 Ų | 105.9 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 146.2 | 173.3 | 25.8 | -33 | 0 | 0 | 0 | 110 | G91 | P89-G91 PolarHBondContact O-N 2.98Š|
| 90 | P | 84.9 | Confident | 71.9 | Confident | 126 Ų | 126 | 109.8 Ų | 109.8 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 138.6 | 171.5 | -25.5 | 34.1 | 0 | 0 | 0 | 110.6 | ||
| 91 | G | 68.6 | Low | 70.3 | Confident | 59 Ų | 59 | 107.5 Ų | 107.5 | 61% | 0.608 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 158.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | P89 | P89-G91 PolarHBondContact O-N 2.98Š|
| 92 | P | 70.7 | Confident | 68.6 | Low | 121 Ų | 121 | 106.4 Ų | 106.4 | 79% | 0.786 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 144.1 | 174.2 | 23.2 | -32.2 | 0 | 0 | 0 | 109.8 | G94 | P92-G94 PolarHBondContact O-N 3.39Å; P92-G94 VanDerWaalsContact O-N 3.15Å |
| 93 | P | 75.1 | Confident | 67.3 | Low | 127 Ų | 127 | 106.2 Ų | 106.2 | 83% | 0.825 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 126.1 | 175.8 | -26 | 33.7 | 0 | 0 | 0 | 109.8 | ||
| 94 | G | 57 | Low | 65.6 | Low | 55 Ų | 55 | 102.8 Ų | 102.8 | 57% | 0.567 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -56 | 157.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | P92 G96 | P92-G94 PolarHBondContact O-N 3.39Å; P92-G94 VanDerWaalsContact O-N 3.15Å; G94-G96 PolarHBondContact O-N 3.41Å |
| 95 | P | 61.8 | Low | 64.2 | Low | 123 Ų | 123 | 100.2 Ų | 100.2 | 80% | 0.799 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 117.8 | 173.6 | -21.1 | 30.6 | 0 | 0 | 0 | 108.2 | ||
| 96 | G | 55.3 | Low | 63.6 | Low | 44 Ų | 44 | 104.4 Ų | 104.4 | 45% | 0.454 | 72% | 0.719 | S | S | . | * | trans | -61.2 | -178.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G94 G98 G99 | G94-G96 PolarHBondContact O-N 3.41Å; G96-G98 PolarHBondContact O-N 3.04Å; G96-G99 PolarHBondContact O-N 3.23Å | ||
| 97 | P | 52.9 | Low | 63.1 | Low | 157 Ų | 157 | 97.9 Ų | 97.9 | 100% | 1.019 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | 2.6 | 178.6 | -18.7 | 31.4 | 0 | 0 | 0 | 115.3 | ||
| 98 | G | 49.5 | Very low | 62.7 | Low | 70 Ų | 70 | 92.7 Ų | 92.7 | 72% | 0.722 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.2 | 11.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | G96 V100 | G96-G98 PolarHBondContact O-N 3.04Å; G98-V100 PolarHBondContact O-N 3.25Å |
| 99 | G | 43.4 | Very low | 63.5 | Low | 40 Ų | 40 | 99 Ų | 99 | 41% | 0.412 | 68% | 0.677 | S | S | . | * | trans | -64.4 | 102.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 106.4 | G96 A101 | G96-G99 PolarHBondContact O-N 3.23Å; G99-A101 PolarHBondContact O-N 2.88Å | ||
| 100 | V | 52 | Low | 64.4 | Low | 130 Ų | 130 | 93.9 Ų | 93.9 | 79% | 0.788 | 64% | 0.642 | S | S | * | * | trans | -55.8 | 97.4 | 171 | -167.9 | 0 | 0 | 0 | 0 | 105.1 | G98 | G98-V100 PolarHBondContact O-N 3.25Š| ||
| 101 | A | 51.6 | Low | 65 | Low | 74 Ų | 74 | 89.4 Ų | 89.4 | 61% | 0.612 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -46.3 | 134.1 | 157.2 | 0 | 0 | 0 | 0 | 0 | 105 | G99 A103 | G99-A101 PolarHBondContact O-N 2.88Å; A101-A103 PolarHBondContact O-N 2.87Å |
| 102 | P | 51.6 | Low | 66.5 | Low | 104 Ų | 104 | 86.9 Ų | 86.9 | 68% | 0.675 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 117.3 | 175.2 | 20.7 | -29.3 | 0 | 0 | 0 | 105.4 | A104 | P102-A104 PolarHBondContact O-N 3.44Å; P102-A104 VanDerWaalsContact O-N 3.11Å |
| 103 | A | 53.5 | Low | 67.8 | Low | 69 Ų | 69 | 84.5 Ų | 84.5 | 57% | 0.57 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -46.6 | 129.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | A101 G105 Y106 | A101-A103 PolarHBondContact O-N 2.87Å; A103-G105 VanDerWaalsContact C-N 3.32Å; A103-G105 CarbonylContact O-C 3.45Å; A103-G105 WeakPolarHBondContact O-CA 3.36Å; A103-G105 PolarHBondContact O-N 2.61Å; A103-Y106 PolarHBondContact O-N 2.85Å |
| 104 | A | 51.2 | Low | 69 | Low | 116 Ų | 116 | 78.5 Ų | 78.5 | 96% | 0.959 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | 102 | 177.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | P102 | P102-A104 PolarHBondContact O-N 3.44Å; P102-A104 VanDerWaalsContact O-N 3.11Å |
| 105 | G | 58.6 | Low | 70.9 | Confident | 70 Ų | 70 | 75.9 Ų | 75.9 | 72% | 0.722 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 123.7 | -1.1 | -165.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | A103 V107 | A103-G105 VanDerWaalsContact C-N 3.32Å; A103-G105 CarbonylContact O-C 3.45Å; A103-G105 WeakPolarHBondContact O-CA 3.36Å; A103-G105 PolarHBondContact O-N 2.61Å; G105-V107 PolarHBondContact O-N 3.21Å |
| 106 | Y | 67.7 | Low | 72.6 | Confident | 159 Ų | 159 | 70 Ų | 70 | 62% | 0.624 | 46% | 0.46 | S | S | * | . | trans | -72 | 101.3 | 170.9 | -173 | -99.8 | 0 | 0 | 0 | 110.3 | A103 P108 | A103-Y106 PolarHBondContact O-N 2.85Å; Y106-P108 HydrophobicContact CE1-CB 4.29Å; Y106-P108 WeakPolarHBondContact O-CD 3.2Å | ||
| 107 | V | 74.8 | Confident | 74.5 | Confident | 102 Ų | 102 | 74.2 Ų | 74.2 | 62% | 0.618 | 46% | 0.462 | S | S | * | . | trans | -87 | 112.8 | 171 | -176.2 | 0 | 0 | 0 | 0 | 107.4 | G105 R109 | G105-V107 PolarHBondContact O-N 3.21Å; V107-R109 PolarHBondContact O-N 2.83Å | ||
| 108 | P | 80.8 | Confident | 76.2 | Confident | 18 Ų | 18 | 74.1 Ų | 74.1 | 12% | 0.117 | 44% | 0.442 | C | S | . | . | trans | -60.6 | 126.1 | 178.2 | 24.3 | -32.1 | 0 | 0 | 0 | 109.7 | Y106 M150 P237 | Y106-P108 HydrophobicContact CE1-CB 4.29Å; Y106-P108 WeakPolarHBondContact O-CD 3.2Å; P108-M150 HydrophobicContact CB-CE 4Å; P108-M150 HydrophobicContact CB-SD 3.6Å; P108-M150 VanDerWaalsContact CB-SD 3.6Å; P108-M150 HydrophobicContact CG-CE 4.41Å; P108-M150 HydrophobicContact CG-SD 3.57Å; P108-M150 VanDerWaalsContact CG-SD 3.57Å; P108-P237 HydrophobicContact CG-CB 3.89Å; P108-P237 HydrophobicContact CG-CG 3.67Å | ||
| 109 | R | 93.5 | Very high | 77.9 | Confident | 194 Ų | 194 | 74.5 Ų | 74.5 | 73% | 0.732 | 43% | 0.431 | S | S | * | . | trans | -111.1 | 111.7 | 175.9 | -62.4 | -177.6 | -175.3 | -175.7 | 0.1 | 108.1 | V107 V135 | V107-R109 PolarHBondContact O-N 2.83Å; R109-V135 HydrophobicContact CB-CG1 4.05Å; R109-V135 WeakPolarHBondContact O-CG1 3.33Å | ||
| 110 | I | 97.9 | Very high | 79.8 | Confident | 13 Ų | 13 | 73.9 Ų | 73.9 | 7% | 0.067 | 42% | 0.418 | C | S | . | . | trans | -130.2 | 120.1 | 177.7 | -60.2 | 158.1 | 0 | 0 | 0 | 106.9 | V135 A138 F146 P149 M150 Y154 F233 I234 | I110-V135 WeakPolarHBondContact CA-O 3.46Å; I110-A138 HydrophobicContact CG2-CB 4.07Å; I110-F146 HydrophobicContact CG2-CE2 3.73Å; I110-F146 HydrophobicContact CG2-CZ 3.93Å; I110-P149 HydrophobicContact CD1-CG 3.51Å; I110-P149 HydrophobicContact CG1-CG 4.16Å; I110-M150 HydrophobicContact CD1-CB 4.34Å; I110-Y154 HydrophobicContact CB-CE1 4.46Å; I110-Y154 HydrophobicContact CD1-CE1 4.25Å; I110-Y154 WeakPolarHBondContact CD1-OH 3.43Å; I110-Y154 HydrophobicContact CG2-CE1 4.2Å; I110-F233 CarbonylContact O-C 3.45Å; I110-F233 WeakPolarHBondContact O-CA 3.36Å; I110-F233 WeakPolarHBondContact O-CB 3.43Å; I110-I234 HydrophobicContact CB-CB 4.19Å; I110-I234 HydrophobicContact CB-CG2 3.87Å; I110-I234 HydrophobicContact CD1-CB 4.48Å; I110-I234 HydrophobicContact CD1-CD1 4.22Å; I110-I234 HydrophobicContact CD1-CG2 4.43Å; I110-I234 HydrophobicContact CG1-CG2 4.41Å; I110-I234 PolarHBondContact O-N 3.23Å | ||
| 111 | A | 98.6 | Very high | 81.3 | Confident | 32 Ų | 32 | 73.6 Ų | 73.6 | 26% | 0.264 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 139.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | N134 V135 G232 F233 | A111-N134 CarbonylContact O-C 3.52Å; A111-N134 WeakPolarHBondContact O-CA 3.43Å; A111-V135 PolarHBondContact N-O 2.85Å; A111-V135 VanDerWaalsContact N-O 3.09Å; A111-V135 PolarHBondContact O-N 2.92Å; A111-G232 CarbonylContact C-O 3.11Å; A111-G232 VanDerWaalsContact CA-O 3.31Å; A111-G232 WeakPolarHBondContact CA-O 3.48Å; A111-F233 HydrophobicContact CB-CB 3.79Å |
| 112 | F | 98.9 | Very high | 82.5 | Confident | 6 Ų | 6 | 71.2 Ų | 71.2 | 3% | 0.026 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 154.5 | 172.7 | 78 | -78.2 | 0 | 0 | 0 | 111.9 | T133 Y139 F146 F156 F230 S231 G232 | F112-T133 CarbonylContact C-O 3.54Å; F112-T133 WeakPolarHBondContact CA-O 3.48Å; F112-T133 WeakPolarHBondContact CB-O 3.16Å; F112-Y139 HydrophobicContact CB-CG 4.46Å; F112-Y139 HydrophobicContact CD2-CD1 4.21Å; F112-Y139 AromaticContact CD2-CD2 3.59Å; F112-Y139 HydrophobicContact CD2-CD2 3.59Å; F112-Y139 HydrophobicContact CD2-CE2 4.3Å; F112-Y139 AromaticContact CD2-CG 3.55Å; F112-Y139 HydrophobicContact CD2-CG 3.55Å; F112-Y139 AromaticContact CE2-CD2 3.52Å; F112-Y139 HydrophobicContact CE2-CD2 3.52Å; F112-Y139 AromaticContact CE2-CE2 3.96Å; F112-Y139 HydrophobicContact CE2-CE2 3.96Å; F112-Y139 AromaticContact CE2-CG 4Å; F112-Y139 HydrophobicContact CE2-CG 4Å; F112-Y139 HydrophobicContact CG-CD2 4.3Å; F112-Y139 HydrophobicContact CG-CG 4.06Å; F112-Y139 HydrophobicContact CZ-CD2 4.17Å; F112-F146 AromaticContact CD1-CD2 3.61Å; F112-F146 HydrophobicContact CD1-CD2 3.61Å; F112-F146 HydrophobicContact CD1-CE2 4.14Å; F112-F146 HydrophobicContact CE1-CB 4.09Å; F112-F146 AromaticContact CE1-CD2 3.57Å; F112-F146 HydrophobicContact CE1-CD2 3.57Å; F112-F146 HydrophobicContact CE1-CE2 4.3Å; F112-F146 HydrophobicContact CE1-CG 4.06Å; F112-F146 HydrophobicContact CZ-CB 4.28Å; F112-F156 HydrophobicContact CE1-CD1 4.01Å; F112-F156 AromaticContact CE1-CE1 3.83Å; F112-F156 HydrophobicContact CE1-CE1 3.83Å; F112-F156 HydrophobicContact CZ-CD1 4.15Å; F112-F156 HydrophobicContact CZ-CE1 4.28Å; F112-F230 HydrophobicContact CE2-CB 4.48Å; F112-F230 AromaticContact CE2-CD1 3.58Å; F112-F230 HydrophobicContact CE2-CD1 3.58Å; F112-F230 HydrophobicContact CE2-CD2 4.46Å; F112-F230 AromaticContact CE2-CE1 3.83Å; F112-F230 HydrophobicContact CE2-CE1 3.83Å; F112-F230 AromaticContact CE2-CG 3.91Å; F112-F230 HydrophobicContact CE2-CG 3.91Å; F112-F230 HydrophobicContact CE2-CZ 4.37Å; F112-F230 AromaticContact CZ-CD1 3.8Å; F112-F230 HydrophobicContact CZ-CD1 3.8Å; F112-F230 HydrophobicContact CZ-CD2 4.28Å; F112-F230 AromaticContact CZ-CE1 3.58Å; F112-F230 HydrophobicContact CZ-CE1 3.58Å; F112-F230 HydrophobicContact CZ-CE2 4.08Å; F112-F230 HydrophobicContact CZ-CG 4.13Å; F112-F230 AromaticContact CZ-CZ 3.73Å; F112-F230 HydrophobicContact CZ-CZ 3.73Å; F112-S231 VanDerWaalsContact O-CA 3.28Å; F112-S231 WeakPolarHBondContact O-CA 3.24Å; F112-S231 WeakPolarHBondContact O-CB 3.32Å; F112-G232 WeakPolarHBondContact CD1-O 3.49Å; F112-G232 VanDerWaalsContact CE1-N 3.29Å; F112-G232 PolarHBondContact N-O 3.29Å; F112-G232 PolarHBondContact O-N 2.82Å; F112-G232 VanDerWaalsContact O-N 3.09Å |
| 113 | Y | 98.9 | Very high | 84 | Confident | 72 Ų | 72 | 74 Ų | 74 | 28% | 0.282 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 125.9 | 169.9 | 168.9 | -114 | 0 | 0 | 0 | 108.2 | V132 T133 K226 T229 F230 | Y113-V132 HydrophobicContact CD1-CB 3.6Å; Y113-V132 HydrophobicContact CD1-CG1 3.97Å; Y113-V132 HydrophobicContact CD1-CG2 3.96Å; Y113-V132 HydrophobicContact CE1-CB 4.04Å; Y113-V132 HydrophobicContact CE1-CG1 4.34Å; Y113-V132 HydrophobicContact CE1-CG2 3.88Å; Y113-V132 PolarHBondContact O-N 3.22Å; Y113-T133 PolarHBondContact N-O 3.08Å; Y113-T133 PolarHBondContact O-N 2.76Å; Y113-T133 VanDerWaalsContact O-N 3.14Å; Y113-K226 HydrophobicContact CE1-CD 4.42Å; Y113-T229 HydrophobicContact CE2-CG2 3.65Å; Y113-T229 WeakPolarHBondContact OH-CG2 3.46Å; Y113-F230 WeakPolarHBondContact CA-O 3.45Å |
| 114 | A | 98.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 137.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | F128 D130 V131 Y139 T229 F230 | A114-F128 HydrophobicContact CB-CB 3.6Å; A114-D130 WeakPolarHBondContact CA-O 3.18Å; A114-V131 HydrophobicContact CB-CG2 4.18Å; A114-Y139 HydrophobicContact CB-CD1 4.32Å; A114-Y139 HydrophobicContact CB-CE1 3.77Å; A114-T229 VanDerWaalsContact O-CA 3.29Å; A114-T229 WeakPolarHBondContact O-CA 3.33Å; A114-F230 PolarHBondContact N-O 3.36Å; A114-F230 PolarHBondContact O-N 3.21Å |
| 115 | G | 98.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 175.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | F128 D129 D130 N225 S228 | G115-F128 CarbonylContact O-C 3.56Å; G115-F128 VanDerWaalsContact O-CA 3.28Å; G115-F128 WeakPolarHBondContact O-CA 3.23Å; G115-F128 WeakPolarHBondContact O-CB 3.47Å; G115-D129 PolarHBondContact O-N 3.03Å; G115-D130 PolarHBondContact N-O 3.3Å; G115-D130 WeakPolarHBondContact O-CB 3.21Å; G115-D130 PolarHBondContact O-N 3.37Å; G115-N225 CarbonylContact C-O 3.55Å; G115-N225 VanDerWaalsContact CA-O 3.25Å; G115-N225 WeakPolarHBondContact CA-O 3.42Å; G115-S228 CarbonylContact C-O 3.47Å; G115-S228 WeakPolarHBondContact CA-O 3.49Å |
| 116 | L | 97.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | trans | -108.6 | 121.3 | 178.2 | -173.5 | 70.9 | 0 | 0 | 0 | 109.9 | R118 L126 R127 F128 V219 G221 N225 S228 | L116-R118 WeakPolarHBondContact CD1-O 3.5Å; L116-R118 VanDerWaalsContact CG-O 3.29Å; L116-R118 WeakPolarHBondContact CG-O 3.23Å; L116-L126 HydrophobicContact CD1-CD1 3.84Å; L116-L126 HydrophobicContact CD2-CD1 4.09Å; L116-R127 VanDerWaalsContact CD1-O 3.23Å; L116-R127 WeakPolarHBondContact CD1-O 3.31Å; L116-F128 HydrophobicContact CB-CD1 4.14Å; L116-V219 HydrophobicContact CD2-CB 4.21Å; L116-V219 HydrophobicContact CD2-CG1 3.49Å; L116-V219 VanDerWaalsContact CD2-CG1 3.49Å; L116-G221 WeakPolarHBondContact O-CA 3.34Å; L116-N225 PolarHBondContact N-O 3.03Å; L116-N225 WeakPolarHBondContact O-CA 3.37Å; L116-N225 WeakPolarHBondContact O-CB 3.41Å; L116-S228 PolarHBondContact N-O 2.85Å; L116-S228 VanDerWaalsContact N-O 3.08Å | ||
| 117 | R | 94.8 | Very high | 90.9 | Very high | 132 Ų | 132 | 64.8 Ų | 64.8 | 50% | 0.498 | 30% | 0.298 | S | S | . | . | trans | -93.5 | -43.5 | 175.8 | -170.8 | -179.7 | -60.2 | 170.9 | 5.5 | 111.8 | D129 D130 | R117-D129 WeakPolarHBondContact CA-OD1 3.12Å; R117-D129 WeakPolarHBondContact CB-OD1 3.46Å; R117-D129 PolarHBondContact N-OD1 3.15Å; R117-D130 HydrophobicContact CB-CB 4.39Å; R117-D130 IonicContact CZ-OD1 3.79Å; R117-D130 IonicContact NE-OD1 3.61Å; R117-D130 IonicContact NH2-OD1 2.75Å; R117-D130 PolarHBondContact NH2-OD1 3.5Å | ||
| 118 | R | 88.2 | Confident | 92 | Very high | 156 Ų | 156 | 59.9 Ų | 59.9 | 59% | 0.589 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -99.4 | 129.4 | -177.7 | -61.4 | -175.5 | -146.7 | 116 | 8.7 | 110.4 | L116 H120 D129 | L116-R118 WeakPolarHBondContact CD1-O 3.5Å; L116-R118 VanDerWaalsContact CG-O 3.29Å; L116-R118 WeakPolarHBondContact CG-O 3.23Å; R118-H120 PolarHBondContact O-N 3.19Å; R118-D129 IonicContact CZ-OD2 3.65Å; R118-D129 IonicContact NE-OD2 3.71Å; R118-D129 PolarHBondContact NE-OD2 2.75Å; R118-D129 IonicContact NH1-OD2 2.75Å; R118-D129 PolarHBondContact NH1-OD2 2.69Å; R118-D129 IonicContact NH2-OD2 3.5Å; R118-D129 PolarHBondContact NH2-OD2 2.91Å |
| 119 | P | 85 | Confident | 92.8 | Very high | 78 Ų | 78 | 60.2 Ų | 60.2 | 51% | 0.506 | 27% | 0.269 | S | S | . | . | trans | -54.9 | 140.7 | 169.6 | -23.3 | 33.5 | 0 | 0 | 0 | 110.8 | V219 | P119-V219 VanDerWaalsContact CA-O 3.29Å; P119-V219 WeakPolarHBondContact CA-O 3.21Å | ||
| 120 | H | 84.3 | Confident | 93 | Very high | 27 Ų | 27 | 52 Ų | 52 | 13% | 0.125 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 152.1 | 176.2 | -99.5 | -87.8 | 0 | 0 | 0 | 109.2 | R118 E124 L126 L214 V219 | R118-H120 PolarHBondContact O-N 3.19Å; H120-E124 IonicContact CE1-OE1 3.39Å; H120-E124 PolarHBondContact CE1-OE1 2.85Å; H120-E124 VanDerWaalsContact CE1-OE1 3.25Å; H120-E124 IonicContact ND1-OE1 3.41Å; H120-E124 PolarHBondContact ND1-OE1 3.35Å; H120-L126 HydrophobicContact CB-CD1 3.46Å; H120-L126 VanDerWaalsContact CB-CD1 3.46Å; H120-L214 HydrophobicContact CB-CD1 4.47Å; H120-V219 PolarHBondContact N-O 2.91Å; H120-V219 PolarHBondContact O-N 3.25Å |
| 121 | E | 82.2 | Confident | 93.1 | Very high | 124 Ų | 124 | 54 Ų | 54 | 58% | 0.579 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 156 | 178.6 | 62.9 | -171.4 | -165.1 | 0 | 0 | 111.5 | G217 | E121-G217 WeakPolarHBondContact CA-O 3.32Å |
| 122 | G | 78.3 | Confident | 93.1 | Very high | 24 Ų | 24 | 56.4 Ų | 56.4 | 25% | 0.247 | 26% | 0.264 | C | S | . | . | S | Bend | trans | 95.8 | -141.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L214 G216 G217 | G122-L214 WeakPolarHBondContact O-CB 3.5Å; G122-G216 WeakPolarHBondContact O-CA 3.29Å; G122-G216 PolarHBondContact O-N 2.7Å; G122-G216 VanDerWaalsContact O-N 3.12Å; G122-G217 PolarHBondContact N-O 3.39Å |
| 123 | Y | 82.8 | Confident | 93 | Very high | 163 Ų | 163 | 58.9 Ų | 58.9 | 64% | 0.639 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -119.3 | 27.6 | -164.7 | -63.6 | -89.4 | 0 | 0 | 0 | 113.2 | K213 L214 D215 | Y123-K213 VanDerWaalsContact O-CE 3.29Å; Y123-K213 WeakPolarHBondContact O-CE 3.47Å; Y123-L214 CarbonylContact C-O 3.55Å; Y123-L214 VanDerWaalsContact CA-O 3.31Å; Y123-L214 WeakPolarHBondContact CA-O 3.24Å; Y123-D215 WeakPolarHBondContact CD1-OD1 3.42Å; Y123-D215 WeakPolarHBondContact CE1-OD1 3.18Å |
| 124 | E | 87.9 | Confident | 93 | Very high | 81 Ų | 81 | 57.3 Ų | 57.3 | 38% | 0.379 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -106.6 | 175.9 | -171.2 | 65.1 | 172.8 | 174.7 | 0 | 0 | 113.5 | H120 L126 L214 | H120-E124 IonicContact CE1-OE1 3.39Å; H120-E124 PolarHBondContact CE1-OE1 2.85Å; H120-E124 VanDerWaalsContact CE1-OE1 3.25Å; H120-E124 IonicContact ND1-OE1 3.41Å; H120-E124 PolarHBondContact ND1-OE1 3.35Å; E124-L126 PolarHBondContact O-N 2.84Å; E124-L214 PolarHBondContact O-N 3.04Å |
| 125 | V | 95.4 | Very high | 93 | Very high | 31 Ų | 31 | 60.8 Ų | 60.8 | 19% | 0.188 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | -67.2 | 126.5 | 171.2 | -179.6 | 0 | 0 | 0 | 0 | 109 | R127 S143 F211 I212 | V125-R127 PolarHBondContact O-N 2.96Å; V125-S143 WeakPolarHBondContact CG1-O 3.29Å; V125-F211 HydrophobicContact CB-CD2 4.33Å; V125-F211 HydrophobicContact CG1-CB 4.09Å; V125-F211 HydrophobicContact CG1-CD2 3.84Å; V125-F211 HydrophobicContact CG1-CG 4.23Å; V125-F211 HydrophobicContact CG2-CD2 3.71Å; V125-F211 HydrophobicContact CG2-CE2 3.71Å; V125-I212 WeakPolarHBondContact CA-O 3.31Å |
| 126 | L | 95.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.32 | C | S | . | . | trans | -78.4 | 116.7 | 177.1 | -177.8 | 58 | 0 | 0 | 0 | 110.2 | L116 H120 E124 F128 V160 I212 L214 V219 | L116-L126 HydrophobicContact CD1-CD1 3.84Å; L116-L126 HydrophobicContact CD2-CD1 4.09Å; H120-L126 HydrophobicContact CB-CD1 3.46Å; H120-L126 VanDerWaalsContact CB-CD1 3.46Å; E124-L126 PolarHBondContact O-N 2.84Å; L126-F128 HydrophobicContact CB-CE2 4.14Å; L126-F128 HydrophobicContact CD2-CE1 3.9Å; L126-F128 HydrophobicContact CD2-CE2 3.75Å; L126-F128 HydrophobicContact CD2-CZ 3.31Å; L126-F128 HydrophobicContact CG-CD2 4.29Å; L126-F128 HydrophobicContact CG-CE1 4.36Å; L126-F128 HydrophobicContact CG-CE2 3.74Å; L126-F128 HydrophobicContact CG-CZ 3.8Å; L126-V160 HydrophobicContact CD2-CG1 4.03Å; L126-V160 HydrophobicContact CD2-CG2 4.06Å; L126-I212 HydrophobicContact CB-CB 4.34Å; L126-I212 HydrophobicContact CB-CG2 4.39Å; L126-I212 HydrophobicContact CD2-CG2 4.44Å; L126-I212 PolarHBondContact N-O 3.42Å; L126-L214 HydrophobicContact CB-CD2 4.48Å; L126-L214 HydrophobicContact CB-CG 4.25Å; L126-L214 HydrophobicContact CD1-CD1 4.31Å; L126-L214 HydrophobicContact CD2-CD2 4.18Å; L126-V219 HydrophobicContact CD1-CB 4.39Å; L126-V219 HydrophobicContact CD1-CG1 4.3Å; L126-V219 HydrophobicContact CD2-CG1 3.99Å; L126-V219 HydrophobicContact CD2-CG2 4.5Å | ||
| 127 | R | 96.6 | Very high | 92.8 | Very high | 107 Ų | 107 | 69.6 Ų | 69.6 | 40% | 0.404 | 36% | 0.355 | S | S | . | . | trans | -97.3 | 98.6 | -175.7 | -54.3 | 179.9 | -166.2 | -158.3 | 11.9 | 110.6 | L116 V125 D129 A142 | L116-R127 VanDerWaalsContact CD1-O 3.23Å; L116-R127 WeakPolarHBondContact CD1-O 3.31Å; V125-R127 PolarHBondContact O-N 2.96Å; R127-D129 PolarHBondContact O-N 2.62Å; R127-A142 WeakPolarHBondContact CD-O 3.44Å; R127-A142 PolarHBondContact NH1-O 3.44Å | ||
| 128 | F | 97.9 | Very high | 93 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 34% | 0.336 | C | S | . | . | trans | -74.7 | 93.5 | 174.8 | -58.4 | -95.7 | 0 | 0 | 0 | 109.3 | A114 G115 L116 L126 Y139 V160 I212 T229 F230 | A114-F128 HydrophobicContact CB-CB 3.6Å; G115-F128 CarbonylContact O-C 3.56Å; G115-F128 VanDerWaalsContact O-CA 3.28Å; G115-F128 WeakPolarHBondContact O-CA 3.23Å; G115-F128 WeakPolarHBondContact O-CB 3.47Å; L116-F128 HydrophobicContact CB-CD1 4.14Å; L126-F128 HydrophobicContact CB-CE2 4.14Å; L126-F128 HydrophobicContact CD2-CE1 3.9Å; L126-F128 HydrophobicContact CD2-CE2 3.75Å; L126-F128 HydrophobicContact CD2-CZ 3.31Å; L126-F128 HydrophobicContact CG-CD2 4.29Å; L126-F128 HydrophobicContact CG-CE1 4.36Å; L126-F128 HydrophobicContact CG-CE2 3.74Å; L126-F128 HydrophobicContact CG-CZ 3.8Å; F128-Y139 WeakPolarHBondContact CB-OH 3.29Å; F128-Y139 PolarHBondContact N-OH 2.78Å; F128-Y139 WeakPolarHBondContact O-CE1 3.25Å; F128-Y139 PolarHBondContact O-OH 2.83Å; F128-V160 HydrophobicContact CZ-CG2 4.24Å; F128-I212 HydrophobicContact CE2-CB 4.04Å; F128-I212 HydrophobicContact CE2-CG1 3.86Å; F128-I212 HydrophobicContact CZ-CG1 4.28Å; F128-T229 VanDerWaalsContact CE1-C 3.45Å; F128-F230 HydrophobicContact CD1-CB 4.14Å; F128-F230 HydrophobicContact CD2-CB 3.54Å; F128-F230 HydrophobicContact CD2-CD1 4.17Å; F128-F230 HydrophobicContact CD2-CG 4.28Å; F128-F230 HydrophobicContact CE1-CB 4.07Å; F128-F230 HydrophobicContact CE2-CB 3.47Å; F128-F230 VanDerWaalsContact CE2-CB 3.47Å; F128-F230 HydrophobicContact CE2-CD1 4.25Å; F128-F230 HydrophobicContact CE2-CG 4.12Å; F128-F230 HydrophobicContact CG-CB 3.88Å; F128-F230 HydrophobicContact CZ-CB 3.73Å | ||
| 129 | D | 97 | Very high | 93.5 | Very high | 24 Ų | 24 | 56.5 Ų | 56.5 | 13% | 0.128 | 31% | 0.308 | C | S | . | . | trans | -92 | 3 | -169.3 | 65.3 | -23.8 | 0 | 0 | 0 | 114.6 | G115 R117 R118 R127 | G115-D129 PolarHBondContact O-N 3.03Å; R117-D129 WeakPolarHBondContact CA-OD1 3.12Å; R117-D129 WeakPolarHBondContact CB-OD1 3.46Å; R117-D129 PolarHBondContact N-OD1 3.15Å; R118-D129 IonicContact CZ-OD2 3.65Å; R118-D129 IonicContact NE-OD2 3.71Å; R118-D129 PolarHBondContact NE-OD2 2.75Å; R118-D129 IonicContact NH1-OD2 2.75Å; R118-D129 PolarHBondContact NH1-OD2 2.69Å; R118-D129 IonicContact NH2-OD2 3.5Å; R118-D129 PolarHBondContact NH2-OD2 2.91Å; R127-D129 PolarHBondContact O-N 2.62Å | ||
| 130 | D | 98.1 | Very high | 94.1 | Very high | 21 Ų | 21 | 57.8 Ų | 57.8 | 11% | 0.112 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 73.1 | 175.2 | -162.8 | 48.4 | 0 | 0 | 0 | 111.5 | A114 G115 R117 V132 N225 K226 | A114-D130 WeakPolarHBondContact CA-O 3.18Å; G115-D130 PolarHBondContact N-O 3.3Å; G115-D130 WeakPolarHBondContact O-CB 3.21Å; G115-D130 PolarHBondContact O-N 3.37Å; R117-D130 HydrophobicContact CB-CB 4.39Å; R117-D130 IonicContact CZ-OD1 3.79Å; R117-D130 IonicContact NE-OD1 3.61Å; R117-D130 IonicContact NH2-OD1 2.75Å; R117-D130 PolarHBondContact NH2-OD1 3.5Å; D130-V132 PolarHBondContact O-N 2.99Å; D130-N225 HydrophobicContact CB-CB 4Å; D130-N225 VanDerWaalsContact OD2-CB 3.31Å; D130-N225 WeakPolarHBondContact OD2-CB 3.11Å; D130-N225 PolarHBondContact OD2-ND2 3.38Å; D130-K226 IonicContact OD2-NZ 3.17Å; D130-K226 PolarHBondContact OD2-NZ 3.44Å |
| 131 | V | 98.6 | Very high | 94.8 | Very high | 56 Ų | 56 | 57.9 Ų | 57.9 | 34% | 0.339 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 124.4 | -176.7 | -176.4 | 0 | 0 | 0 | 0 | 111 | A114 N134 Y139 A141 | A114-V131 HydrophobicContact CB-CG2 4.18Å; V131-N134 HydrophobicContact CG1-CB 3.84Å; V131-Y139 HydrophobicContact CG2-CD1 4.04Å; V131-Y139 HydrophobicContact CG2-CE1 4.03Å; V131-A141 HydrophobicContact CG2-CB 3.82Å |
| 132 | V | 98.4 | Very high | 95.4 | Very high | 83 Ų | 83 | 55 Ų | 55 | 50% | 0.503 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | -41.5 | 177.7 | 174.1 | 0 | 0 | 0 | 0 | 111 | Y113 D130 | Y113-V132 HydrophobicContact CD1-CB 3.6Å; Y113-V132 HydrophobicContact CD1-CG1 3.97Å; Y113-V132 HydrophobicContact CD1-CG2 3.96Å; Y113-V132 HydrophobicContact CE1-CB 4.04Å; Y113-V132 HydrophobicContact CE1-CG1 4.34Å; Y113-V132 HydrophobicContact CE1-CG2 3.88Å; Y113-V132 PolarHBondContact O-N 3.22Å; D130-V132 PolarHBondContact O-N 2.99Å |
| 133 | T | 98.6 | Very high | 96.3 | Very high | 58 Ų | 58 | 55.7 Ų | 55.7 | 36% | 0.356 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 136.7 | 178 | -56.6 | 0 | 0 | 0 | 0 | 109 | F112 Y113 V135 | F112-T133 CarbonylContact C-O 3.54Å; F112-T133 WeakPolarHBondContact CA-O 3.48Å; F112-T133 WeakPolarHBondContact CB-O 3.16Å; Y113-T133 PolarHBondContact N-O 3.08Å; Y113-T133 PolarHBondContact O-N 2.76Å; Y113-T133 VanDerWaalsContact O-N 3.14Å; T133-V135 HydrophobicContact CG2-CG2 4Å |
| 134 | N | 98.4 | Very high | 97 | Very high | 39 Ų | 39 | 47.9 Ų | 47.9 | 21% | 0.209 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 56.5 | 174.1 | -159.9 | 6.9 | 0 | 0 | 0 | 111.8 | A111 V131 G136 N137 A138 Y139 | A111-N134 CarbonylContact O-C 3.52Å; A111-N134 WeakPolarHBondContact O-CA 3.43Å; V131-N134 HydrophobicContact CG1-CB 3.84Å; N134-G136 PolarHBondContact O-N 3.09Å; N134-N137 PolarHBondContact O-N 3.48Å; N134-N137 PolarHBondContact O-OD1 2.91Å; N134-N137 WeakPolarHBondContact OD1-CA 3.07Å; N134-A138 PolarHBondContact OD1-N 3.25Å; N134-Y139 PolarHBondContact ND2-O 2.85Å; N134-Y139 PolarHBondContact OD1-N 2.94Å |
| 135 | V | 97.9 | Very high | 97.5 | Very high | 73 Ų | 73 | 46.2 Ų | 46.2 | 44% | 0.442 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 125.7 | 176.9 | -174.2 | 0 | 0 | 0 | 0 | 108.8 | R109 I110 A111 T133 N137 | R109-V135 HydrophobicContact CB-CG1 4.05Å; R109-V135 WeakPolarHBondContact O-CG1 3.33Å; I110-V135 WeakPolarHBondContact CA-O 3.46Å; A111-V135 PolarHBondContact N-O 2.85Å; A111-V135 VanDerWaalsContact N-O 3.09Å; A111-V135 PolarHBondContact O-N 2.92Å; T133-V135 HydrophobicContact CG2-CG2 4Å; V135-N137 VanDerWaalsContact C-N 3.31Å |
| 136 | G | 95.4 | Very high | 97.7 | Very high | 47 Ų | 47 | 44.8 Ų | 44.8 | 49% | 0.485 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | -3.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | N134 A138 | N134-G136 PolarHBondContact O-N 3.09Å; G136-A138 PolarHBondContact O-N 2.99Å; G136-A138 VanDerWaalsContact O-N 3.14Å |
| 137 | N | 97.4 | Very high | 97.8 | Very high | 137 Ų | 137 | 47.5 Ų | 47.5 | 73% | 0.733 | 28% | 0.28 | S | S | * | . | S | Bend | trans | 50.3 | 36.4 | 176.5 | -61.4 | -46.2 | 0 | 0 | 0 | 114.1 | N134 V135 | N134-N137 PolarHBondContact O-N 3.48Å; N134-N137 PolarHBondContact O-OD1 2.91Å; N134-N137 WeakPolarHBondContact OD1-CA 3.07Å; V135-N137 VanDerWaalsContact C-N 3.31Å |
| 138 | A | 98.3 | Very high | 97.9 | Very high | 10 Ų | 10 | 42.4 Ų | 42.4 | 8% | 0.083 | 26% | 0.261 | C | S | . | . | trans | -88.4 | -14.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113 | I110 N134 G136 F146 T147 P149 | I110-A138 HydrophobicContact CG2-CB 4.07Å; N134-A138 PolarHBondContact OD1-N 3.25Å; G136-A138 PolarHBondContact O-N 2.99Å; G136-A138 VanDerWaalsContact O-N 3.14Å; A138-F146 HydrophobicContact CB-CD2 3.78Å; A138-F146 HydrophobicContact CB-CE2 3.35Å; A138-F146 HydrophobicContact CB-CZ 3.96Å; A138-F146 CarbonylContact O-C 3.54Å; A138-F146 WeakPolarHBondContact O-CA 3.28Å; A138-T147 PolarHBondContact O-N 3.44Å; A138-P149 HydrophobicContact CB-CG 4.13Å | ||
| 139 | Y | 98.8 | Very high | 97.8 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 130.6 | 173.1 | -177 | -100.6 | 0 | 0 | 0 | 111.4 | F112 A114 F128 V131 N134 A141 G144 F146 F230 | F112-Y139 HydrophobicContact CB-CG 4.46Å; F112-Y139 HydrophobicContact CD2-CD1 4.21Å; F112-Y139 AromaticContact CD2-CD2 3.59Å; F112-Y139 HydrophobicContact CD2-CD2 3.59Å; F112-Y139 HydrophobicContact CD2-CE2 4.3Å; F112-Y139 AromaticContact CD2-CG 3.55Å; F112-Y139 HydrophobicContact CD2-CG 3.55Å; F112-Y139 AromaticContact CE2-CD2 3.52Å; F112-Y139 HydrophobicContact CE2-CD2 3.52Å; F112-Y139 AromaticContact CE2-CE2 3.96Å; F112-Y139 HydrophobicContact CE2-CE2 3.96Å; F112-Y139 AromaticContact CE2-CG 4Å; F112-Y139 HydrophobicContact CE2-CG 4Å; F112-Y139 HydrophobicContact CG-CD2 4.3Å; F112-Y139 HydrophobicContact CG-CG 4.06Å; F112-Y139 HydrophobicContact CZ-CD2 4.17Å; A114-Y139 HydrophobicContact CB-CD1 4.32Å; A114-Y139 HydrophobicContact CB-CE1 3.77Å; F128-Y139 WeakPolarHBondContact CB-OH 3.29Å; F128-Y139 PolarHBondContact N-OH 2.78Å; F128-Y139 WeakPolarHBondContact O-CE1 3.25Å; F128-Y139 PolarHBondContact O-OH 2.83Å; V131-Y139 HydrophobicContact CG2-CD1 4.04Å; V131-Y139 HydrophobicContact CG2-CE1 4.03Å; N134-Y139 PolarHBondContact ND2-O 2.85Å; N134-Y139 PolarHBondContact OD1-N 2.94Å; Y139-A141 HydrophobicContact CE1-CB 4.36Å; Y139-G144 WeakPolarHBondContact CE2-O 3.36Å; Y139-G144 WeakPolarHBondContact OH-CA 3.28Å; Y139-F146 HydrophobicContact CD2-CB 4.4Å; Y139-F230 AromaticContact CE2-CD1 3.94Å; Y139-F230 HydrophobicContact CE2-CD1 3.94Å; Y139-F230 HydrophobicContact CE2-CE1 4.22Å |
| 140 | E | 98.6 | Very high | 97.8 | Very high | 105 Ų | 105 | 47.3 Ų | 47.3 | 49% | 0.491 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 109.6 | 178.5 | 179.7 | 56.2 | -118 | 0 | 0 | 110.5 | A142 S143 G144 K145 | E140-A142 VanDerWaalsContact C-N 3.26Å; E140-A142 HydrophobicContact CG-CB 4.31Å; E140-A142 PolarHBondContact O-N 2.87Å; E140-A142 WeakPolarHBondContact OE1-CB 3.43Å; E140-A142 PolarHBondContact OE1-N 3.43Å; E140-S143 WeakPolarHBondContact CB-OG 3.49Å; E140-S143 PolarHBondContact O-N 3.16Å; E140-S143 PolarHBondContact O-OG 3.25Å; E140-G144 PolarHBondContact O-N 3.25Å; E140-K145 PolarHBondContact N-O 2.92Å; E140-K145 PolarHBondContact O-N 2.75Å |
| 141 | A | 97.3 | Very high | 97.8 | Very high | 29 Ų | 29 | 48.4 Ų | 48.4 | 24% | 0.24 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -32 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V131 Y139 S143 | V131-A141 HydrophobicContact CG2-CB 3.82Å; Y139-A141 HydrophobicContact CE1-CB 4.36Å; A141-S143 VanDerWaalsContact C-N 3.28Å; A141-S143 PolarHBondContact O-N 2.97Å |
| 142 | A | 95.9 | Very high | 97.8 | Very high | 64 Ų | 64 | 45.7 Ų | 45.7 | 53% | 0.529 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -30.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R127 E140 | R127-A142 WeakPolarHBondContact CD-O 3.44Å; R127-A142 PolarHBondContact NH1-O 3.44Å; E140-A142 VanDerWaalsContact C-N 3.26Å; E140-A142 HydrophobicContact CG-CB 4.31Å; E140-A142 PolarHBondContact O-N 2.87Å; E140-A142 WeakPolarHBondContact OE1-CB 3.43Å; E140-A142 PolarHBondContact OE1-N 3.43Å |
| 143 | S | 96.7 | Very high | 97.8 | Very high | 37 Ų | 37 | 42.6 Ų | 42.6 | 26% | 0.259 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -22.4 | 179.8 | 70.7 | 0 | 0 | 0 | 0 | 113.2 | V125 E140 A141 K145 | V125-S143 WeakPolarHBondContact CG1-O 3.29Å; E140-S143 WeakPolarHBondContact CB-OG 3.49Å; E140-S143 PolarHBondContact O-N 3.16Å; E140-S143 PolarHBondContact O-OG 3.25Å; A141-S143 VanDerWaalsContact C-N 3.28Å; A141-S143 PolarHBondContact O-N 2.97Å; S143-K145 VanDerWaalsContact C-N 3.3Å; S143-K145 WeakPolarHBondContact OG-CB 3.36Å; S143-K145 PolarHBondContact OG-N 3.02Å |
| 144 | G | 97.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 10.5 | -173 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y139 E140 | Y139-G144 WeakPolarHBondContact CE2-O 3.36Å; Y139-G144 WeakPolarHBondContact OH-CA 3.28Å; E140-G144 PolarHBondContact O-N 3.25Å |
| 145 | K | 98.7 | Very high | 97.8 | Very high | 45 Ų | 45 | 40.6 Ų | 40.6 | 20% | 0.196 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 143.7 | -169.3 | -51.1 | -174 | -177.8 | 179.2 | 0 | 112.5 | E140 S143 E209 F211 | E140-K145 PolarHBondContact N-O 2.92Å; E140-K145 PolarHBondContact O-N 2.75Å; S143-K145 VanDerWaalsContact C-N 3.3Å; S143-K145 WeakPolarHBondContact OG-CB 3.36Å; S143-K145 PolarHBondContact OG-N 3.02Å; K145-E209 HydrophobicContact CD-CB 4.33Å; K145-E209 HydrophobicContact CD-CG 4.28Å; K145-E209 WeakPolarHBondContact CD-OE1 3.49Å; K145-E209 IonicContact NZ-OE1 3.25Å; K145-E209 PolarHBondContact NZ-OE1 3.28Å; K145-E209 IonicContact NZ-OE2 2.62Å; K145-E209 PolarHBondContact NZ-OE2 2.99Å; K145-F211 HydrophobicContact CB-CB 4.26Å; K145-F211 HydrophobicContact CD-CD1 4.13Å; K145-F211 HydrophobicContact CG-CB 3.88Å; K145-F211 HydrophobicContact CG-CD1 4.1Å; K145-F211 HydrophobicContact CG-CG 4.16Å |
| 146 | F | 98.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 128.1 | 159.1 | 174.6 | -88.4 | 0 | 0 | 0 | 108.8 | I110 F112 A138 Y139 C148 Y154 F156 L204 E209 V210 | I110-F146 HydrophobicContact CG2-CE2 3.73Å; I110-F146 HydrophobicContact CG2-CZ 3.93Å; F112-F146 AromaticContact CD1-CD2 3.61Å; F112-F146 HydrophobicContact CD1-CD2 3.61Å; F112-F146 HydrophobicContact CD1-CE2 4.14Å; F112-F146 HydrophobicContact CE1-CB 4.09Å; F112-F146 AromaticContact CE1-CD2 3.57Å; F112-F146 HydrophobicContact CE1-CD2 3.57Å; F112-F146 HydrophobicContact CE1-CE2 4.3Å; F112-F146 HydrophobicContact CE1-CG 4.06Å; F112-F146 HydrophobicContact CZ-CB 4.28Å; A138-F146 HydrophobicContact CB-CD2 3.78Å; A138-F146 HydrophobicContact CB-CE2 3.35Å; A138-F146 HydrophobicContact CB-CZ 3.96Å; A138-F146 CarbonylContact O-C 3.54Å; A138-F146 WeakPolarHBondContact O-CA 3.28Å; Y139-F146 HydrophobicContact CD2-CB 4.4Å; F146-C148 HydrophobicContact CE1-CB 4.23Å; F146-Y154 HydrophobicContact CE1-CD1 4.29Å; F146-Y154 HydrophobicContact CE1-CE1 4.21Å; F146-Y154 AromaticContact CZ-CD1 3.92Å; F146-Y154 HydrophobicContact CZ-CD1 3.92Å; F146-Y154 AromaticContact CZ-CE1 3.65Å; F146-Y154 HydrophobicContact CZ-CE1 3.65Å; F146-F156 HydrophobicContact CB-CE1 4.27Å; F146-F156 AromaticContact CD1-CE1 3.87Å; F146-F156 HydrophobicContact CD1-CE1 3.87Å; F146-F156 AromaticContact CD1-CZ 3.78Å; F146-F156 HydrophobicContact CD1-CZ 3.78Å; F146-F156 HydrophobicContact CD2-CE1 4.41Å; F146-F156 HydrophobicContact CE1-CE1 4.3Å; F146-F156 AromaticContact CE1-CZ 3.91Å; F146-F156 HydrophobicContact CE1-CZ 3.91Å; F146-F156 AromaticContact CG-CE1 3.93Å; F146-F156 HydrophobicContact CG-CE1 3.93Å; F146-F156 HydrophobicContact CG-CZ 4.32Å; F146-L204 HydrophobicContact CD1-CD1 4.35Å; F146-L204 HydrophobicContact CE1-CD1 3.88Å; F146-E209 CarbonylContact O-C 3.58Å; F146-E209 WeakPolarHBondContact O-CA 3.29Å; F146-V210 HydrophobicContact CB-CB 4.43Å; F146-V210 HydrophobicContact CD1-CB 4.41Å; F146-V210 PolarHBondContact N-O 2.8Å; F146-V210 PolarHBondContact O-N 3.01Å |
| 147 | T | 98.8 | Very high | 98 | Very high | 57 Ų | 57 | 35.3 Ų | 35.3 | 35% | 0.35 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 120.2 | 173.6 | -57.5 | 0 | 0 | 0 | 0 | 108.9 | A138 P149 D208 | A138-T147 PolarHBondContact O-N 3.44Å; T147-P149 VanDerWaalsContact O-CD 3.23Å; T147-P149 WeakPolarHBondContact O-CD 2.96Å; T147-D208 WeakPolarHBondContact CA-O 3.23Å |
| 148 | C | 98.4 | Very high | 98.1 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.007 | 17% | 0.171 | C | C | . | . | trans | -61 | 116.1 | -176.4 | -176.6 | 0 | 0 | 0 | 0 | 111.2 | F146 M150 L204 D205 V206 G207 D208 | F146-C148 HydrophobicContact CE1-CB 4.23Å; C148-M150 PolarHBondContact SG-O 2.85Å; C148-L204 HydrophobicContact CB-CB 4Å; C148-L204 HydrophobicContact CB-CD1 4.17Å; C148-L204 VanDerWaalsContact SG-CB 3.53Å; C148-D205 WeakPolarHBondContact CB-O 3.37Å; C148-D205 PolarHBondContact SG-O 3.08Å; C148-V206 WeakPolarHBondContact O-CA 3.43Å; C148-G207 PolarHBondContact O-N 2.8Å; C148-D208 HydrophobicContact CB-CB 4.05Å; C148-D208 WeakPolarHBondContact CB-O 3.43Å; C148-D208 PolarHBondContact N-O 2.83Å | ||
| 149 | P | 97.1 | Very high | 98.1 | Very high | 63 Ų | 63 | 32.3 Ų | 32.3 | 41% | 0.409 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -89.4 | -13 | -179.6 | 36.7 | -36 | 0 | 0 | 0 | 112.7 | I110 A138 T147 | I110-P149 HydrophobicContact CD1-CG 3.51Å; I110-P149 HydrophobicContact CG1-CG 4.16Å; A138-P149 HydrophobicContact CB-CG 4.13Å; T147-P149 VanDerWaalsContact O-CD 3.23Å; T147-P149 WeakPolarHBondContact O-CD 2.96Å |
| 150 | M | 96.4 | Very high | 98 | Very high | 64 Ų | 64 | 32.1 Ų | 32.1 | 32% | 0.315 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -156.8 | 136.7 | -172.2 | -178 | 176.8 | -73.3 | 0 | 0 | 110.4 | P108 I110 C148 Y154 P237 | P108-M150 HydrophobicContact CB-CE 4Å; P108-M150 HydrophobicContact CB-SD 3.6Å; P108-M150 VanDerWaalsContact CB-SD 3.6Å; P108-M150 HydrophobicContact CG-CE 4.41Å; P108-M150 HydrophobicContact CG-SD 3.57Å; P108-M150 VanDerWaalsContact CG-SD 3.57Å; I110-M150 HydrophobicContact CD1-CB 4.34Å; C148-M150 PolarHBondContact SG-O 2.85Å; M150-Y154 WeakPolarHBondContact O-CE2 3.25Å; M150-Y154 PolarHBondContact O-OH 3.15Å; M150-P237 HydrophobicContact SD-CB 3.94Å |
| 151 | P | 97.9 | Very high | 97.8 | Very high | 43 Ų | 43 | 28.1 Ų | 28.1 | 28% | 0.279 | 17% | 0.167 | S | C | . | . | trans | -66.6 | 143.3 | -179.8 | 31 | -33.7 | 0 | 0 | 0 | 111.1 | L204 D238 | P151-L204 VanDerWaalsContact CA-O 3.23Å; P151-L204 WeakPolarHBondContact CA-O 3.06Å; P151-D238 HydrophobicContact CB-CB 4.48Å; P151-D238 PolarHBondContact O-N 2.87Å | ||
| 152 | G | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.4 | -175.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y154 H203 L204 Y236 D238 | G152-Y154 WeakPolarHBondContact O-CD2 3.47Å; G152-H203 WeakPolarHBondContact O-CA 3.31Å; G152-L204 PolarHBondContact N-O 3.01Å; G152-L204 VanDerWaalsContact N-O 3.15Å; G152-L204 PolarHBondContact O-N 3.37Å; G152-Y236 WeakPolarHBondContact CA-O 3.48Å; G152-D238 WeakPolarHBondContact CA-OD1 3.38Å |
| 153 | V | 98.6 | Very high | 96.9 | Very high | 18 Ų | 18 | 28.1 Ų | 28.1 | 11% | 0.109 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 127.1 | 176.6 | -179.4 | 0 | 0 | 0 | 0 | 110.1 | I201 L202 I235 Y236 | V153-I201 HydrophobicContact CG1-CG2 3.34Å; V153-L202 WeakPolarHBondContact CA-O 3.35Å; V153-I235 HydrophobicContact CG1-CD1 4.06Å; V153-I235 WeakPolarHBondContact O-CB 3.47Å; V153-I235 PolarHBondContact O-N 3.36Å; V153-Y236 HydrophobicContact CB-CD2 4.08Å; V153-Y236 HydrophobicContact CB-CE1 4.21Å; V153-Y236 HydrophobicContact CB-CE2 3.59Å; V153-Y236 HydrophobicContact CG1-CE1 4.44Å; V153-Y236 HydrophobicContact CG1-CE2 4.48Å; V153-Y236 HydrophobicContact CG2-CD2 4.09Å; V153-Y236 HydrophobicContact CG2-CE2 3.29Å; V153-Y236 PolarHBondContact N-O 3.01Å; V153-Y236 PolarHBondContact O-N 3Å |
| 154 | Y | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 145.4 | -174.5 | -68.4 | -99.9 | 0 | 0 | 0 | 111.1 | I110 F146 M150 G152 F156 I201 L202 L204 F233 I234 | I110-Y154 HydrophobicContact CB-CE1 4.46Å; I110-Y154 HydrophobicContact CD1-CE1 4.25Å; I110-Y154 WeakPolarHBondContact CD1-OH 3.43Å; I110-Y154 HydrophobicContact CG2-CE1 4.2Å; F146-Y154 HydrophobicContact CE1-CD1 4.29Å; F146-Y154 HydrophobicContact CE1-CE1 4.21Å; F146-Y154 AromaticContact CZ-CD1 3.92Å; F146-Y154 HydrophobicContact CZ-CD1 3.92Å; F146-Y154 AromaticContact CZ-CE1 3.65Å; F146-Y154 HydrophobicContact CZ-CE1 3.65Å; M150-Y154 WeakPolarHBondContact O-CE2 3.25Å; M150-Y154 PolarHBondContact O-OH 3.15Å; G152-Y154 WeakPolarHBondContact O-CD2 3.47Å; Y154-F156 VanDerWaalsContact CB-CE2 3.45Å; Y154-F156 HydrophobicContact CD1-CZ 4.5Å; Y154-F156 HydrophobicContact CG-CE2 4.39Å; Y154-F156 HydrophobicContact CG-CZ 4.38Å; Y154-I201 CarbonylContact O-C 3.2Å; Y154-I201 VanDerWaalsContact O-CA 3.29Å; Y154-I201 WeakPolarHBondContact O-CA 3.38Å; Y154-L202 PolarHBondContact N-O 3.42Å; Y154-L202 PolarHBondContact O-N 3.09Å; Y154-L204 HydrophobicContact CD2-CB 3.94Å; Y154-L204 HydrophobicContact CD2-CD1 3.71Å; Y154-L204 HydrophobicContact CD2-CG 3.88Å; Y154-L204 HydrophobicContact CE2-CB 4.07Å; Y154-L204 HydrophobicContact CE2-CD1 4.23Å; Y154-L204 HydrophobicContact CE2-CG 4.46Å; Y154-L204 HydrophobicContact CG-CD1 3.89Å; Y154-L204 HydrophobicContact CG-CG 4.43Å; Y154-F233 WeakPolarHBondContact CA-O 3.45Å; Y154-I234 HydrophobicContact CD1-CB 3.87Å; Y154-I234 HydrophobicContact CD1-CG1 4.32Å; Y154-I234 HydrophobicContact CE1-CB 3.55Å; Y154-I234 HydrophobicContact CE1-CD1 4.28Å; Y154-I234 HydrophobicContact CE1-CG1 3.93Å; Y154-I234 HydrophobicContact CE2-CD1 4.43Å; Y154-I234 HydrophobicContact CE2-CG1 4.33Å |
| 155 | F | 98.9 | Very high | 94.2 | Very high | 54 Ų | 54 | 27.6 Ų | 27.6 | 24% | 0.237 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 140.5 | 167.6 | 174 | -95.5 | 0 | 0 | 0 | 109.9 | A157 I201 G232 F233 I235 | F155-A157 HydrophobicContact CE1-CB 3.64Å; F155-A157 HydrophobicContact CZ-CB 3.71Å; F155-I201 HydrophobicContact CD2-CG1 4.11Å; F155-G232 CarbonylContact O-C 3.5Å; F155-G232 WeakPolarHBondContact O-CA 3.19Å; F155-F233 HydrophobicContact CB-CD2 4.46Å; F155-F233 HydrophobicContact CB-CE1 4.1Å; F155-F233 HydrophobicContact CB-CE2 4.02Å; F155-F233 HydrophobicContact CB-CZ 3.82Å; F155-F233 HydrophobicContact CD1-CD1 4.01Å; F155-F233 AromaticContact CD1-CE1 3.32Å; F155-F233 HydrophobicContact CD1-CE1 3.32Å; F155-F233 AromaticContact CD1-CZ 3.71Å; F155-F233 HydrophobicContact CD1-CZ 3.71Å; F155-F233 HydrophobicContact CE1-CE1 4.04Å; F155-F233 HydrophobicContact CG-CE1 4.01Å; F155-F233 AromaticContact CG-CZ 3.94Å; F155-F233 HydrophobicContact CG-CZ 3.94Å; F155-F233 PolarHBondContact N-O 3.47Å; F155-F233 PolarHBondContact O-N 3.15Å; F155-I235 HydrophobicContact CB-CD1 4.13Å; F155-I235 HydrophobicContact CB-CG1 4.19Å |
| 156 | F | 98.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 143 | 170.2 | -60.8 | -87 | 0 | 0 | 0 | 110.7 | F112 F146 Y154 L174 S199 V200 L204 V210 F230 S231 | F112-F156 HydrophobicContact CE1-CD1 4.01Å; F112-F156 AromaticContact CE1-CE1 3.83Å; F112-F156 HydrophobicContact CE1-CE1 3.83Å; F112-F156 HydrophobicContact CZ-CD1 4.15Å; F112-F156 HydrophobicContact CZ-CE1 4.28Å; F146-F156 HydrophobicContact CB-CE1 4.27Å; F146-F156 AromaticContact CD1-CE1 3.87Å; F146-F156 HydrophobicContact CD1-CE1 3.87Å; F146-F156 AromaticContact CD1-CZ 3.78Å; F146-F156 HydrophobicContact CD1-CZ 3.78Å; F146-F156 HydrophobicContact CD2-CE1 4.41Å; F146-F156 HydrophobicContact CE1-CE1 4.3Å; F146-F156 AromaticContact CE1-CZ 3.91Å; F146-F156 HydrophobicContact CE1-CZ 3.91Å; F146-F156 AromaticContact CG-CE1 3.93Å; F146-F156 HydrophobicContact CG-CE1 3.93Å; F146-F156 HydrophobicContact CG-CZ 4.32Å; Y154-F156 VanDerWaalsContact CB-CE2 3.45Å; Y154-F156 HydrophobicContact CD1-CZ 4.5Å; Y154-F156 HydrophobicContact CG-CE2 4.39Å; Y154-F156 HydrophobicContact CG-CZ 4.38Å; F156-L174 HydrophobicContact CB-CD1 3.65Å; F156-L174 HydrophobicContact CG-CD1 4.33Å; F156-S199 CarbonylContact O-C 3.51Å; F156-S199 WeakPolarHBondContact O-CA 3.35Å; F156-S199 WeakPolarHBondContact O-CB 2.82Å; F156-V200 HydrophobicContact CB-CG1 4.18Å; F156-V200 HydrophobicContact CD2-CG1 4.44Å; F156-V200 PolarHBondContact N-O 3.28Å; F156-V200 PolarHBondContact O-N 2.92Å; F156-L204 HydrophobicContact CE2-CD1 3.83Å; F156-L204 HydrophobicContact CZ-CD1 3.71Å; F156-V210 HydrophobicContact CD1-CG1 4.07Å; F156-V210 HydrophobicContact CD2-CG1 4.25Å; F156-V210 HydrophobicContact CE1-CB 4.12Å; F156-V210 HydrophobicContact CE1-CG1 4.02Å; F156-V210 HydrophobicContact CE1-CG2 4.49Å; F156-V210 HydrophobicContact CE2-CB 4.47Å; F156-V210 HydrophobicContact CE2-CG1 4.22Å; F156-V210 HydrophobicContact CE2-CG2 4.09Å; F156-V210 HydrophobicContact CG-CG1 4.19Å; F156-V210 HydrophobicContact CZ-CB 4.04Å; F156-V210 HydrophobicContact CZ-CG1 4.12Å; F156-V210 HydrophobicContact CZ-CG2 3.91Å; F156-F230 HydrophobicContact CB-CE2 4.19Å; F156-F230 HydrophobicContact CD1-CE2 4.03Å; F156-F230 AromaticContact CD1-CZ 3.95Å; F156-F230 HydrophobicContact CD1-CZ 3.95Å; F156-S231 WeakPolarHBondContact CA-O 3.49Å |
| 157 | A | 98.9 | Very high | 90.8 | Very high | 9 Ų | 9 | 33.6 Ų | 33.6 | 7% | 0.074 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 140.4 | 171 | 0 | 0 | 0 | 0 | 0 | 110.4 | F155 F230 S231 | F155-A157 HydrophobicContact CE1-CB 3.64Å; F155-A157 HydrophobicContact CZ-CB 3.71Å; A157-F230 WeakPolarHBondContact O-CD2 3.4Å; A157-S231 PolarHBondContact N-O 3.15Å; A157-S231 PolarHBondContact O-N 3.42Å; A157-S231 PolarHBondContact O-OG 3.29Å |
| 158 | Y | 98.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 147 | 174.5 | 64.1 | -87.5 | 0 | 0 | 0 | 110.7 | V160 A172 L174 A184 S197 N198 I212 T229 | Y158-V160 HydrophobicContact CD2-CG2 4.02Å; Y158-A172 HydrophobicContact CD2-CB 4.33Å; Y158-A172 HydrophobicContact CE2-CB 3.86Å; Y158-A172 PolarHBondContact OH-O 2.66Å; Y158-L174 HydrophobicContact CD1-CB 4.14Å; Y158-L174 HydrophobicContact CD1-CD1 4.06Å; Y158-L174 HydrophobicContact CE1-CB 3.66Å; Y158-L174 HydrophobicContact CE1-CD1 4.23Å; Y158-A184 HydrophobicContact CE2-CB 4.15Å; Y158-A184 PolarHBondContact OH-N 2.92Å; Y158-S197 VanDerWaalsContact O-CA 3.31Å; Y158-S197 WeakPolarHBondContact O-CA 3.4Å; Y158-N198 WeakPolarHBondContact CD1-O 3.48Å; Y158-N198 HydrophobicContact CE1-CB 3.66Å; Y158-N198 HydrophobicContact CE2-CB 4.22Å; Y158-N198 VanDerWaalsContact CZ-CB 3.44Å; Y158-N198 PolarHBondContact N-O 3.41Å; Y158-N198 PolarHBondContact O-N 2.56Å; Y158-N198 WeakPolarHBondContact OH-CB 3.31Å; Y158-I212 HydrophobicContact CD1-CD1 3.52Å; Y158-I212 HydrophobicContact CD2-CD1 4.31Å; Y158-I212 HydrophobicContact CE1-CD1 4.12Å; Y158-I212 HydrophobicContact CG-CD1 3.61Å; Y158-I212 HydrophobicContact CG-CG1 4.3Å; Y158-T229 WeakPolarHBondContact CA-O 3.45Å |
| 159 | H | 98.4 | Very high | 88.6 | Confident | 85 Ų | 85 | 36 Ų | 36 | 39% | 0.394 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 114.8 | 174.1 | -59.2 | -76.6 | 0 | 0 | 0 | 106.6 | Y195 S197 S228 T229 | H159-Y195 HydrophobicContact CB-CD1 4.1Å; H159-Y195 HydrophobicContact CB-CE1 3.91Å; H159-S197 VanDerWaalsContact ND1-CB 3.32Å; H159-S197 WeakPolarHBondContact ND1-CB 3.42Å; H159-S197 PolarHBondContact ND1-OG 2.97Å; H159-S228 CarbonylContact O-C 3.52Å; H159-S228 VanDerWaalsContact O-CA 3.22Å; H159-S228 WeakPolarHBondContact O-CA 3.49Å; H159-T229 PolarHBondContact N-O 3.28Å; H159-T229 PolarHBondContact O-N 3.47Å |
| 160 | V | 96.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 113.1 | -174.5 | -178 | 0 | 0 | 0 | 0 | 108.1 | L126 F128 Y158 M162 A172 Y195 A196 I212 L214 V219 | L126-V160 HydrophobicContact CD2-CG1 4.03Å; L126-V160 HydrophobicContact CD2-CG2 4.06Å; F128-V160 HydrophobicContact CZ-CG2 4.24Å; Y158-V160 HydrophobicContact CD2-CG2 4.02Å; V160-M162 HydrophobicContact CB-CG 4.29Å; V160-M162 HydrophobicContact CG1-CE 4.44Å; V160-M162 HydrophobicContact CG1-CG 3.64Å; V160-M162 HydrophobicContact CG1-SD 4.3Å; V160-M162 PolarHBondContact O-N 2.92Å; V160-A172 HydrophobicContact CB-CB 4.19Å; V160-A172 HydrophobicContact CG2-CB 4.03Å; V160-Y195 WeakPolarHBondContact O-CA 3.29Å; V160-Y195 WeakPolarHBondContact O-CD1 3.4Å; V160-A196 PolarHBondContact N-O 2.97Å; V160-A196 PolarHBondContact O-N 2.8Å; V160-I212 HydrophobicContact CG2-CG2 4.46Å; V160-L214 HydrophobicContact CG1-CD2 4.45Å; V160-V219 HydrophobicContact CG1-CB 4.17Å; V160-V219 HydrophobicContact CG1-CG1 3.39Å; V160-V219 HydrophobicContact CG1-CG2 3.6Å |
| 161 | L | 94.3 | Very high | 87.9 | Confident | 21 Ų | 21 | 34.1 Ų | 34.1 | 11% | 0.11 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 108.3 | 172 | 177.2 | 66.9 | 0 | 0 | 0 | 108.3 | Y193 Y195 V219 H220 Y227 S228 | L161-Y193 HydrophobicContact CD1-CD1 4Å; L161-Y193 HydrophobicContact CD1-CG 4.42Å; L161-Y193 HydrophobicContact CD2-CD1 4.2Å; L161-Y193 HydrophobicContact CG-CD1 4Å; L161-Y195 HydrophobicContact CB-CE1 4.03Å; L161-Y195 HydrophobicContact CB-CE2 4.25Å; L161-Y195 HydrophobicContact CD1-CD2 4.05Å; L161-Y195 HydrophobicContact CD1-CE2 3.74Å; L161-V219 WeakPolarHBondContact O-CA 3.34Å; L161-H220 HydrophobicContact CD2-CB 4.06Å; L161-H220 HydrophobicContact CG-CB 4.4Å; L161-H220 PolarHBondContact O-N 2.97Å; L161-Y227 HydrophobicContact CD2-CD1 3.8Å; L161-Y227 HydrophobicContact CD2-CG 4.02Å; L161-S228 PolarHBondContact N-OG 2.87Å |
| 162 | M | 89.9 | Confident | 87.7 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 149.7 | -177.5 | -50.6 | -171.5 | 91.9 | 0 | 0 | 110.1 | V160 M170 A172 A186 Y193 D194 A196 L214 K218 V219 | V160-M162 HydrophobicContact CB-CG 4.29Å; V160-M162 HydrophobicContact CG1-CE 4.44Å; V160-M162 HydrophobicContact CG1-CG 3.64Å; V160-M162 HydrophobicContact CG1-SD 4.3Å; V160-M162 PolarHBondContact O-N 2.92Å; M162-M170 HydrophobicContact CB-CE 3.2Å; M162-M170 HydrophobicContact CB-SD 3.92Å; M162-M170 HydrophobicContact CE-CB 3.73Å; M162-M170 HydrophobicContact CE-SD 4.45Å; M162-M170 HydrophobicContact CG-CE 4.25Å; M162-M170 HydrophobicContact SD-CB 3.94Å; M162-M170 HydrophobicContact SD-CE 4.21Å; M162-A172 HydrophobicContact SD-CB 4.48Å; M162-A186 HydrophobicContact CB-CB 4.47Å; M162-A186 HydrophobicContact SD-CB 4.17Å; M162-Y193 WeakPolarHBondContact O-CA 3.29Å; M162-D194 PolarHBondContact N-O 3.05Å; M162-D194 PolarHBondContact O-N 2.95Å; M162-A196 HydrophobicContact CG-CB 4.31Å; M162-A196 HydrophobicContact SD-CB 3.5Å; M162-A196 VanDerWaalsContact SD-CB 3.5Å; M162-L214 HydrophobicContact CE-CD2 3.78Å; M162-K218 CarbonylContact C-O 3.47Å; M162-K218 WeakPolarHBondContact CA-O 3.09Å; M162-V219 HydrophobicContact CE-CG2 3.98Å; M162-V219 HydrophobicContact CG-CG2 4.3Å |
| 163 | R | 85 | Confident | 87.7 | Confident | 93 Ų | 93 | 33.1 Ų | 33.1 | 35% | 0.351 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 115.1 | 168.7 | -177.7 | 177.8 | 173.6 | 149.9 | -0.7 | 108.2 | M170 Q191 Y193 K218 | R163-M170 VanDerWaalsContact C-SD 3.53Å; R163-Q191 PolarHBondContact NE-O 2.99Å; R163-Y193 HydrophobicContact CB-CD1 3.99Å; R163-Y193 HydrophobicContact CB-CE1 3.76Å; R163-Y193 HydrophobicContact CG-CE1 4.24Å; R163-Y193 PolarHBondContact NH1-OH 3.31Å; R163-K218 PolarHBondContact N-O 3.02Å; R163-K218 PolarHBondContact O-N 2.9Å |
| 164 | G | 70.4 | Confident | 87.7 | Confident | 3 Ų | 3 | 32.3 Ų | 32.3 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | trans | -65.7 | 152.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | M170 Q191 N192 | G164-M170 WeakPolarHBondContact CA-SD 3.34Å; G164-Q191 PolarHBondContact O-OE1 2.78Å; G164-Q191 VanDerWaalsContact O-OE1 3.06Å; G164-N192 PolarHBondContact N-O 3.29Å | ||
| 165 | G | 66.9 | Low | 87.7 | Confident | 23 Ų | 23 | 32.9 Ų | 32.9 | 24% | 0.237 | 18% | 0.178 | C | C | . | . | trans | -114.5 | 131.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | G167 T168 Q191 | G165-G167 VanDerWaalsContact C-N 3.31Å; G165-G167 PolarHBondContact O-N 2.89Å; G165-T168 WeakPolarHBondContact O-CB 3.35Å; G165-T168 PolarHBondContact O-N 2.91Å; G165-T168 PolarHBondContact O-OG1 2.84Å; G165-Q191 VanDerWaalsContact CA-NE2 3.31Å | ||
| 166 | D | 64.5 | Low | 87.7 | Confident | 138 Ų | 138 | 32.1 Ų | 32.1 | 74% | 0.738 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 35.2 | 51.1 | 167.1 | -55.9 | -13.5 | 0 | 0 | 0 | 115.9 | T168 Q191 | D166-T168 VanDerWaalsContact C-N 3.26Å; D166-T168 PolarHBondContact O-N 2.9Å; D166-Q191 VanDerWaalsContact N-NE2 3.19Å; D166-Q191 PolarHBondContact OD1-NE2 3.22Å |
| 167 | G | 62.5 | Low | 87.6 | Confident | 34 Ų | 34 | 36.2 Ų | 36.2 | 35% | 0.351 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 11.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116 | G165 | G165-G167 VanDerWaalsContact C-N 3.31Å; G165-G167 PolarHBondContact O-N 2.89Å |
| 168 | T | 72.7 | Confident | 87.4 | Confident | 80 Ų | 80 | 38.2 Ų | 38.2 | 49% | 0.491 | 22% | 0.218 | S | C | . | . | trans | -81.3 | 127.9 | 175.5 | 59.3 | 0 | 0 | 0 | 0 | 111.2 | G165 D166 | G165-T168 WeakPolarHBondContact O-CB 3.35Å; G165-T168 PolarHBondContact O-N 2.91Å; G165-T168 PolarHBondContact O-OG1 2.84Å; D166-T168 VanDerWaalsContact C-N 3.26Å; D166-T168 PolarHBondContact O-N 2.9Å | ||
| 169 | S | 77.8 | Confident | 87.4 | Confident | 29 Ų | 29 | 44.2 Ų | 44.2 | 20% | 0.203 | 25% | 0.246 | C | C | . | . | trans | -62.8 | 143 | 169.5 | -58.5 | 0 | 0 | 0 | 0 | 110.3 | W171 Q187 | S169-W171 VanDerWaalsContact O-CZ3 3.24Å; S169-W171 WeakPolarHBondContact O-CZ3 3.38Å; S169-Q187 PolarHBondContact OG-OE1 2.96Å | ||
| 170 | M | 86.6 | Confident | 87.4 | Confident | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 143.2 | 174.2 | -49.1 | 169.8 | -64.5 | 0 | 0 | 109.1 | M162 R163 G164 I185 A186 G217 | M162-M170 HydrophobicContact CB-CE 3.2Å; M162-M170 HydrophobicContact CB-SD 3.92Å; M162-M170 HydrophobicContact CE-CB 3.73Å; M162-M170 HydrophobicContact CE-SD 4.45Å; M162-M170 HydrophobicContact CG-CE 4.25Å; M162-M170 HydrophobicContact SD-CB 3.94Å; M162-M170 HydrophobicContact SD-CE 4.21Å; R163-M170 VanDerWaalsContact C-SD 3.53Å; G164-M170 WeakPolarHBondContact CA-SD 3.34Å; M170-I185 WeakPolarHBondContact O-CA 3.36Å; M170-A186 HydrophobicContact CE-CB 3.98Å; M170-A186 PolarHBondContact N-O 3.32Å; M170-A186 PolarHBondContact O-N 2.85Å; M170-G217 WeakPolarHBondContact SD-CA 3.22Å |
| 171 | W | 91.2 | Very high | 87.5 | Confident | 85 Ų | 85 | 49.6 Ų | 49.6 | 32% | 0.322 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 144.4 | 176.4 | -55.6 | -103 | 0 | 0 | 0 | 111.8 | S169 A184 I185 L214 D215 | S169-W171 VanDerWaalsContact O-CZ3 3.24Å; S169-W171 WeakPolarHBondContact O-CZ3 3.38Å; W171-A184 WeakPolarHBondContact CA-O 3.49Å; W171-I185 HydrophobicContact CG-CG1 4.5Å; W171-I185 HydrophobicContact CZ2-CD1 3.89Å; W171-I185 HydrophobicContact CZ2-CG1 4.46Å; W171-L214 WeakPolarHBondContact O-CA 3.39Å; W171-D215 HydrophobicContact CB-CB 3.97Å; W171-D215 HydrophobicContact CE3-CB 3.95Å; W171-D215 PolarHBondContact N-O 3.27Å; W171-D215 PolarHBondContact O-N 3.27Å |
| 172 | A | 95.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 113.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | Y158 V160 M162 A184 A196 I212 L214 | Y158-A172 HydrophobicContact CD2-CB 4.33Å; Y158-A172 HydrophobicContact CE2-CB 3.86Å; Y158-A172 PolarHBondContact OH-O 2.66Å; V160-A172 HydrophobicContact CB-CB 4.19Å; V160-A172 HydrophobicContact CG2-CB 4.03Å; M162-A172 HydrophobicContact SD-CB 4.48Å; A172-A184 PolarHBondContact N-O 3.3Å; A172-A184 PolarHBondContact O-N 3.12Å; A172-A184 VanDerWaalsContact O-N 3.07Å; A172-A196 HydrophobicContact CB-CB 3.72Å; A172-I212 HydrophobicContact CB-CG2 4.21Å; A172-L214 HydrophobicContact CB-CD2 4.41Å |
| 173 | D | 97.6 | Very high | 88 | Confident | 22 Ų | 22 | 51.5 Ų | 51.5 | 12% | 0.118 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 127.4 | -176.4 | -71.4 | -19.9 | 0 | 0 | 0 | 110.5 | M175 V180 S183 I212 K213 | D173-M175 HydrophobicContact CB-SD 3.82Å; D173-V180 HydrophobicContact CB-CG1 4.2Å; D173-V180 HydrophobicContact CB-CG2 4.21Å; D173-S183 WeakPolarHBondContact OD1-CB 3.16Å; D173-S183 PolarHBondContact OD1-OG 3.29Å; D173-I212 CarbonylContact O-C 3.54Å; D173-I212 VanDerWaalsContact O-CA 3.29Å; D173-I212 WeakPolarHBondContact O-CA 3.43Å; D173-K213 PolarHBondContact N-O 3.37Å; D173-K213 PolarHBondContact O-N 3.02Å |
| 174 | L | 98.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 117.5 | 165.7 | -175.3 | 153.2 | 0 | 0 | 0 | 109.3 | F156 Y158 R181 A182 V200 L202 V210 I212 F230 | F156-L174 HydrophobicContact CB-CD1 3.65Å; F156-L174 HydrophobicContact CG-CD1 4.33Å; Y158-L174 HydrophobicContact CD1-CB 4.14Å; Y158-L174 HydrophobicContact CD1-CD1 4.06Å; Y158-L174 HydrophobicContact CE1-CB 3.66Å; Y158-L174 HydrophobicContact CE1-CD1 4.23Å; L174-R181 HydrophobicContact CD2-CB 4.01Å; L174-R181 PolarHBondContact O-N 2.64Å; L174-A182 HydrophobicContact CB-CB 4.37Å; L174-A182 PolarHBondContact N-O 2.86Å; L174-V200 HydrophobicContact CD1-CG1 3.71Å; L174-V200 HydrophobicContact CD2-CG1 3.81Å; L174-V200 HydrophobicContact CG-CG1 4.38Å; L174-L202 HydrophobicContact CD2-CD1 3.95Å; L174-V210 HydrophobicContact CD1-CG1 4.19Å; L174-V210 HydrophobicContact CD2-CG1 3.74Å; L174-V210 HydrophobicContact CG-CG1 3.93Å; L174-I212 HydrophobicContact CB-CD1 3.83Å; L174-I212 HydrophobicContact CD1-CD1 4.19Å; L174-I212 HydrophobicContact CG-CD1 4.1Å; L174-F230 HydrophobicContact CD1-CE2 4.19Å |
| 175 | M | 98.6 | Very high | 89.6 | Confident | 13 Ų | 13 | 51.7 Ų | 51.7 | 6% | 0.064 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 139.5 | -176.6 | -53.3 | -59.2 | -74.3 | 0 | 0 | 110.2 | D173 G178 Q179 V180 V210 F211 K213 | D173-M175 HydrophobicContact CB-SD 3.82Å; M175-G178 VanDerWaalsContact CE-C 3.48Å; M175-G178 WeakPolarHBondContact CE-O 3.34Å; M175-Q179 CarbonylContact C-O 3.56Å; M175-Q179 VanDerWaalsContact CA-O 3.31Å; M175-Q179 WeakPolarHBondContact CA-O 3.33Å; M175-V180 HydrophobicContact CE-CG2 4.06Å; M175-V180 HydrophobicContact SD-CB 4.33Å; M175-V180 HydrophobicContact SD-CG2 3.62Å; M175-V210 VanDerWaalsContact O-CA 3.25Å; M175-V210 WeakPolarHBondContact O-CA 3.4Å; M175-F211 HydrophobicContact CB-CD1 4.17Å; M175-F211 HydrophobicContact CB-CD2 3.88Å; M175-F211 HydrophobicContact CB-CE1 3.86Å; M175-F211 HydrophobicContact CB-CE2 3.55Å; M175-F211 HydrophobicContact CB-CG 4.18Å; M175-F211 HydrophobicContact CB-CZ 3.54Å; M175-F211 HydrophobicContact CG-CD2 3.92Å; M175-F211 HydrophobicContact CG-CE2 3.51Å; M175-F211 HydrophobicContact CG-CZ 3.94Å; M175-F211 PolarHBondContact N-O 3.11Å; M175-F211 PolarHBondContact O-N 2.99Å; M175-F211 VanDerWaalsContact O-N 3.16Å; M175-K213 HydrophobicContact CG-CB 3.69Å; M175-K213 HydrophobicContact SD-CB 4.25Å |
| 176 | K | 98.6 | Very high | 90.5 | Very high | 38 Ų | 38 | 50.6 Ų | 50.6 | 17% | 0.165 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 115.6 | 161.1 | 178.2 | -175.9 | 177.7 | 172.3 | 0 | 107.8 | G178 Q179 R181 H203 L204 D208 E209 | K176-G178 PolarHBondContact O-N 3.41Å; K176-G178 VanDerWaalsContact O-N 3.08Å; K176-Q179 PolarHBondContact N-O 2.81Å; K176-Q179 PolarHBondContact O-N 2.81Å; K176-R181 HydrophobicContact CB-CG 3.49Å; K176-R181 VanDerWaalsContact CB-CG 3.49Å; K176-H203 PolarHBondContact NZ-O 2.84Å; K176-L204 HydrophobicContact CD-CD2 3.81Å; K176-L204 HydrophobicContact CG-CD2 4.23Å; K176-D208 VanDerWaalsContact CE-CG 3.45Å; K176-D208 WeakPolarHBondContact CE-OD2 3.19Å; K176-D208 IonicContact NZ-OD2 2.8Å; K176-D208 PolarHBondContact NZ-OD2 2.84Å; K176-E209 WeakPolarHBondContact CA-O 3.45Å |
| 177 | N | 97.1 | Very high | 91.3 | Very high | 86 Ų | 86 | 49.5 Ų | 49.5 | 46% | 0.46 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | 38.5 | 179.4 | -59.7 | -19.7 | 0 | 0 | 0 | 114.4 | D208 E209 | N177-D208 PolarHBondContact ND2-OD1 2.92Å; N177-D208 WeakPolarHBondContact OD1-CA 3.21Å; N177-E209 PolarHBondContact N-O 2.84Å; N177-E209 PolarHBondContact OD1-N 2.79Å |
| 178 | G | 94.1 | Very high | 91.8 | Very high | 51 Ų | 51 | 50.2 Ų | 50.2 | 53% | 0.526 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | -0.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | M175 K176 | M175-G178 VanDerWaalsContact CE-C 3.48Å; M175-G178 WeakPolarHBondContact CE-O 3.34Å; K176-G178 PolarHBondContact O-N 3.41Å; K176-G178 VanDerWaalsContact O-N 3.08Å |
| 179 | Q | 97.9 | Very high | 91.4 | Very high | 126 Ų | 126 | 50 Ų | 50 | 59% | 0.589 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 134.6 | 171.6 | -63.8 | -173.2 | -16.2 | 0 | 0 | 111.7 | M175 K176 R181 | M175-Q179 CarbonylContact C-O 3.56Å; M175-Q179 VanDerWaalsContact CA-O 3.31Å; M175-Q179 WeakPolarHBondContact CA-O 3.33Å; K176-Q179 PolarHBondContact N-O 2.81Å; K176-Q179 PolarHBondContact O-N 2.81Å; Q179-R181 PolarHBondContact O-N 2.97Å |
| 180 | V | 98.2 | Very high | 90.9 | Very high | 71 Ų | 71 | 54.2 Ų | 54.2 | 43% | 0.43 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 126.2 | 172.3 | -177.7 | 0 | 0 | 0 | 0 | 109.3 | D173 M175 | D173-V180 HydrophobicContact CB-CG1 4.2Å; D173-V180 HydrophobicContact CB-CG2 4.21Å; M175-V180 HydrophobicContact CE-CG2 4.06Å; M175-V180 HydrophobicContact SD-CB 4.33Å; M175-V180 HydrophobicContact SD-CG2 3.62Å |
| 181 | R | 98.6 | Very high | 90.2 | Very high | 126 Ų | 126 | 58.2 Ų | 58.2 | 48% | 0.475 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | -27.2 | 176.8 | -56.4 | -50.5 | -57.7 | 175 | 1.3 | 113 | L174 K176 Q179 L202 | L174-R181 HydrophobicContact CD2-CB 4.01Å; L174-R181 PolarHBondContact O-N 2.64Å; K176-R181 HydrophobicContact CB-CG 3.49Å; K176-R181 VanDerWaalsContact CB-CG 3.49Å; Q179-R181 PolarHBondContact O-N 2.97Å; R181-L202 HydrophobicContact CB-CD1 4.12Å; R181-L202 HydrophobicContact CB-CD2 4.12Å; R181-L202 HydrophobicContact CG-CD1 4.09Å; R181-L202 HydrophobicContact CG-CD2 4.23Å |
| 182 | A | 98.5 | Very high | 89.7 | Confident | 12 Ų | 12 | 58.4 Ų | 58.4 | 10% | 0.099 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 143.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | L174 N198 V200 | L174-A182 HydrophobicContact CB-CB 4.37Å; L174-A182 PolarHBondContact N-O 2.86Å; A182-N198 HydrophobicContact CB-CB 4.36Å; A182-V200 HydrophobicContact CB-CB 4.18Å |
| 183 | S | 97.7 | Very high | 89.3 | Confident | 50 Ų | 50 | 63.2 Ų | 63.2 | 35% | 0.35 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 147.7 | -179.4 | -176.8 | 0 | 0 | 0 | 0 | 109.3 | D173 N198 | D173-S183 WeakPolarHBondContact OD1-CB 3.16Å; D173-S183 PolarHBondContact OD1-OG 3.29Å; S183-N198 PolarHBondContact O-ND2 3.07Å |
| 184 | A | 96.2 | Very high | 89 | Confident | 12 Ų | 12 | 65.4 Ų | 65.4 | 10% | 0.099 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 136.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | Y158 W171 A172 A196 S197 N198 | Y158-A184 HydrophobicContact CE2-CB 4.15Å; Y158-A184 PolarHBondContact OH-N 2.92Å; W171-A184 WeakPolarHBondContact CA-O 3.49Å; A172-A184 PolarHBondContact N-O 3.3Å; A172-A184 PolarHBondContact O-N 3.12Å; A172-A184 VanDerWaalsContact O-N 3.07Å; A184-A196 HydrophobicContact CB-CB 3.85Å; A184-S197 WeakPolarHBondContact CB-O 3.49Å; A184-N198 HydrophobicContact CB-CB 4.3Å |
| 185 | I | 91.8 | Very high | 88.7 | Confident | 88 Ų | 88 | 69.7 Ų | 69.7 | 45% | 0.451 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 137.4 | 177.1 | -171.6 | 175.7 | 0 | 0 | 0 | 109.1 | M170 W171 | M170-I185 WeakPolarHBondContact O-CA 3.36Å; W171-I185 HydrophobicContact CG-CG1 4.5Å; W171-I185 HydrophobicContact CZ2-CD1 3.89Å; W171-I185 HydrophobicContact CZ2-CG1 4.46Å |
| 186 | A | 86.2 | Confident | 88.6 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 127.1 | 166 | 0 | 0 | 0 | 0 | 0 | 107.6 | M162 M170 D194 A196 | M162-A186 HydrophobicContact CB-CB 4.47Å; M162-A186 HydrophobicContact SD-CB 4.17Å; M170-A186 HydrophobicContact CE-CB 3.98Å; M170-A186 PolarHBondContact N-O 3.32Å; M170-A186 PolarHBondContact O-N 2.85Å; A186-D194 HydrophobicContact CB-CB 4.13Å; A186-A196 HydrophobicContact CB-CB 4.23Å |
| 187 | Q | 82 | Confident | 88.5 | Confident | 115 Ų | 115 | 69.4 Ų | 69.4 | 54% | 0.537 | 37% | 0.373 | S | S | . | . | trans | -142.8 | 120.8 | 179.4 | -176.2 | 176.2 | 4.1 | 0 | 0 | 109.3 | S169 | S169-Q187 PolarHBondContact OG-OE1 2.96Š| ||
| 188 | D | 72.2 | Confident | 88.6 | Confident | 48 Ų | 48 | 68.3 Ų | 68.3 | 26% | 0.257 | 37% | 0.367 | S | S | . | . | trans | -128.6 | 146 | 170.6 | -154.1 | -30.9 | 0 | 0 | 0 | 108.6 | D190 N192 | D188-D190 VanDerWaalsContact C-N 3.28Å; D188-N192 HydrophobicContact CB-CB 4.28Å; D188-N192 VanDerWaalsContact OD2-CB 3.24Å; D188-N192 WeakPolarHBondContact OD2-CB 3.29Å; D188-N192 PolarHBondContact OD2-ND2 2.92Å; D188-N192 VanDerWaalsContact OD2-ND2 3.11Å | ||
| 189 | A | 64.1 | Low | 88.8 | Confident | 75 Ų | 75 | 68.9 Ų | 68.9 | 62% | 0.62 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -72.9 | -28.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 190 | D | 68.2 | Low | 88.9 | Confident | 119 Ų | 119 | 64 Ų | 64 | 64% | 0.636 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -106.8 | 166.7 | 178.7 | -63.1 | -39.1 | 0 | 0 | 0 | 110.5 | D188 N192 | D188-D190 VanDerWaalsContact C-N 3.28Å; D190-N192 PolarHBondContact O-N 3.4Å |
| 191 | Q | 70.9 | Confident | 88.9 | Confident | 86 Ų | 86 | 65.8 Ų | 65.8 | 40% | 0.402 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -69.6 | 44.1 | -179.9 | -69.4 | -88.4 | -18.8 | 0 | 0 | 113.2 | R163 G164 G165 D166 | R163-Q191 PolarHBondContact NE-O 2.99Å; G164-Q191 PolarHBondContact O-OE1 2.78Å; G164-Q191 VanDerWaalsContact O-OE1 3.06Å; G165-Q191 VanDerWaalsContact CA-NE2 3.31Å; D166-Q191 VanDerWaalsContact N-NE2 3.19Å; D166-Q191 PolarHBondContact OD1-NE2 3.22Å |
| 192 | N | 80.4 | Confident | 88.9 | Confident | 88 Ų | 88 | 60.5 Ų | 60.5 | 47% | 0.471 | 33% | 0.329 | S | S | . | . | trans | -97 | 172.7 | -169.7 | -147.8 | 38.1 | 0 | 0 | 0 | 110.8 | G164 D188 D190 | G164-N192 PolarHBondContact N-O 3.29Å; D188-N192 HydrophobicContact CB-CB 4.28Å; D188-N192 VanDerWaalsContact OD2-CB 3.24Å; D188-N192 WeakPolarHBondContact OD2-CB 3.29Å; D188-N192 PolarHBondContact OD2-ND2 2.92Å; D188-N192 VanDerWaalsContact OD2-ND2 3.11Å; D190-N192 PolarHBondContact O-N 3.4Å | ||
| 193 | Y | 88 | Confident | 88.9 | Confident | 102 Ų | 102 | 63.8 Ų | 63.8 | 40% | 0.4 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 131.6 | -176.5 | -73.7 | -85 | 0 | 0 | 0 | 111.3 | L161 M162 R163 H220 | L161-Y193 HydrophobicContact CD1-CD1 4Å; L161-Y193 HydrophobicContact CD1-CG 4.42Å; L161-Y193 HydrophobicContact CD2-CD1 4.2Å; L161-Y193 HydrophobicContact CG-CD1 4Å; M162-Y193 WeakPolarHBondContact O-CA 3.29Å; R163-Y193 HydrophobicContact CB-CD1 3.99Å; R163-Y193 HydrophobicContact CB-CE1 3.76Å; R163-Y193 HydrophobicContact CG-CE1 4.24Å; R163-Y193 PolarHBondContact NH1-OH 3.31Å; Y193-H220 HydrophobicContact CE1-CB 4.38Å; Y193-H220 AromaticContact CE1-CD2 3.53Å; Y193-H220 AromaticContact CE1-CG 3.86Å; Y193-H220 AromaticContact CE1-NE2 3.84Å |
| 194 | D | 90.8 | Very high | 89 | Confident | 67 Ų | 67 | 61.4 Ų | 61.4 | 36% | 0.358 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 163 | 175.8 | -167.1 | 17.1 | 0 | 0 | 0 | 111.1 | M162 A186 | M162-D194 PolarHBondContact N-O 3.05Å; M162-D194 PolarHBondContact O-N 2.95Å; A186-D194 HydrophobicContact CB-CB 4.13Å |
| 195 | Y | 93.5 | Very high | 89.1 | Confident | 91 Ų | 91 | 64.9 Ų | 64.9 | 36% | 0.357 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 123.1 | -177.4 | -95.6 | -84.5 | 0 | 0 | 0 | 112.7 | H159 V160 L161 Y227 | H159-Y195 HydrophobicContact CB-CD1 4.1Å; H159-Y195 HydrophobicContact CB-CE1 3.91Å; V160-Y195 WeakPolarHBondContact O-CA 3.29Å; V160-Y195 WeakPolarHBondContact O-CD1 3.4Å; L161-Y195 HydrophobicContact CB-CE1 4.03Å; L161-Y195 HydrophobicContact CB-CE2 4.25Å; L161-Y195 HydrophobicContact CD1-CD2 4.05Å; L161-Y195 HydrophobicContact CD1-CE2 3.74Å; Y195-Y227 WeakPolarHBondContact CE1-O 3.24Å; Y195-Y227 WeakPolarHBondContact OH-CA 3.24Å; Y195-Y227 PolarHBondContact OH-O 2.94Å |
| 196 | A | 94.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 105.3 | 160.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | V160 M162 A172 A184 A186 | V160-A196 PolarHBondContact N-O 2.97Å; V160-A196 PolarHBondContact O-N 2.8Å; M162-A196 HydrophobicContact CG-CB 4.31Å; M162-A196 HydrophobicContact SD-CB 3.5Å; M162-A196 VanDerWaalsContact SD-CB 3.5Å; A172-A196 HydrophobicContact CB-CB 3.72Å; A184-A196 HydrophobicContact CB-CB 3.85Å; A186-A196 HydrophobicContact CB-CB 4.23Å |
| 197 | S | 97.8 | Very high | 90 | Very high | 45 Ų | 45 | 67.4 Ų | 67.4 | 32% | 0.315 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 135.9 | -178.2 | -59 | 0 | 0 | 0 | 0 | 111.9 | Y158 H159 A184 | Y158-S197 VanDerWaalsContact O-CA 3.31Å; Y158-S197 WeakPolarHBondContact O-CA 3.4Å; H159-S197 VanDerWaalsContact ND1-CB 3.32Å; H159-S197 WeakPolarHBondContact ND1-CB 3.42Å; H159-S197 PolarHBondContact ND1-OG 2.97Å; A184-S197 WeakPolarHBondContact CB-O 3.49Å |
| 198 | N | 98.8 | Very high | 90.8 | Very high | 63 Ų | 63 | 62.7 Ų | 62.7 | 34% | 0.337 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 171.7 | 169.6 | -146.8 | -29.8 | 0 | 0 | 0 | 110.7 | Y158 A182 S183 A184 | Y158-N198 WeakPolarHBondContact CD1-O 3.48Å; Y158-N198 HydrophobicContact CE1-CB 3.66Å; Y158-N198 HydrophobicContact CE2-CB 4.22Å; Y158-N198 VanDerWaalsContact CZ-CB 3.44Å; Y158-N198 PolarHBondContact N-O 3.41Å; Y158-N198 PolarHBondContact O-N 2.56Å; Y158-N198 WeakPolarHBondContact OH-CB 3.31Å; A182-N198 HydrophobicContact CB-CB 4.36Å; S183-N198 PolarHBondContact O-ND2 3.07Å; A184-N198 HydrophobicContact CB-CB 4.3Å |
| 199 | S | 98.8 | Very high | 92 | Very high | 62 Ų | 62 | 63.5 Ų | 63.5 | 43% | 0.434 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 157 | 174.3 | 64 | 0 | 0 | 0 | 0 | 110.5 | F156 | F156-S199 CarbonylContact O-C 3.51Å; F156-S199 WeakPolarHBondContact O-CA 3.35Å; F156-S199 WeakPolarHBondContact O-CB 2.82Å |
| 200 | V | 98.8 | Very high | 93.7 | Very high | 23 Ų | 23 | 59.9 Ų | 59.9 | 14% | 0.139 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 148.6 | -179 | 69.9 | 0 | 0 | 0 | 0 | 111 | F156 L174 A182 L202 | F156-V200 HydrophobicContact CB-CG1 4.18Å; F156-V200 HydrophobicContact CD2-CG1 4.44Å; F156-V200 PolarHBondContact N-O 3.28Å; F156-V200 PolarHBondContact O-N 2.92Å; L174-V200 HydrophobicContact CD1-CG1 3.71Å; L174-V200 HydrophobicContact CD2-CG1 3.81Å; L174-V200 HydrophobicContact CG-CG1 4.38Å; A182-V200 HydrophobicContact CB-CB 4.18Å; V200-L202 HydrophobicContact CB-CG 4.49Å; V200-L202 HydrophobicContact CG1-CD1 3.88Å; V200-L202 HydrophobicContact CG1-CG 3.9Å; V200-L202 HydrophobicContact CG2-CD1 4.46Å; V200-L202 HydrophobicContact CG2-CD2 3.72Å; V200-L202 HydrophobicContact CG2-CG 3.83Å |
| 201 | I | 98.9 | Very high | 95.1 | Very high | 109 Ų | 109 | 55 Ų | 55 | 56% | 0.559 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 124.6 | 167 | -61.4 | 173.7 | 0 | 0 | 0 | 107.4 | V153 Y154 F155 I235 | V153-I201 HydrophobicContact CG1-CG2 3.34Å; Y154-I201 CarbonylContact O-C 3.2Å; Y154-I201 VanDerWaalsContact O-CA 3.29Å; Y154-I201 WeakPolarHBondContact O-CA 3.38Å; F155-I201 HydrophobicContact CD2-CG1 4.11Å; I201-I235 HydrophobicContact CD1-CD1 4.28Å; I201-I235 HydrophobicContact CG1-CD1 4.27Å; I201-I235 HydrophobicContact CG2-CD1 3.97Å |
| 202 | L | 98.8 | Very high | 96.4 | Very high | 16 Ų | 16 | 51 Ų | 51 | 8% | 0.084 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 139.5 | -177.1 | -65.2 | 174.9 | 0 | 0 | 0 | 110.6 | V153 Y154 L174 R181 V200 L204 | V153-L202 WeakPolarHBondContact CA-O 3.35Å; Y154-L202 PolarHBondContact N-O 3.42Å; Y154-L202 PolarHBondContact O-N 3.09Å; L174-L202 HydrophobicContact CD2-CD1 3.95Å; R181-L202 HydrophobicContact CB-CD1 4.12Å; R181-L202 HydrophobicContact CB-CD2 4.12Å; R181-L202 HydrophobicContact CG-CD1 4.09Å; R181-L202 HydrophobicContact CG-CD2 4.23Å; V200-L202 HydrophobicContact CB-CG 4.49Å; V200-L202 HydrophobicContact CG1-CD1 3.88Å; V200-L202 HydrophobicContact CG1-CG 3.9Å; V200-L202 HydrophobicContact CG2-CD1 4.46Å; V200-L202 HydrophobicContact CG2-CD2 3.72Å; V200-L202 HydrophobicContact CG2-CG 3.83Å; L202-L204 HydrophobicContact CB-CD2 4.08Å; L202-L204 HydrophobicContact CB-CG 4.44Å |
| 203 | H | 98.7 | Very high | 97.2 | Very high | 80 Ų | 80 | 50.6 Ų | 50.6 | 37% | 0.37 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 133.8 | 157.4 | -178.8 | -82.7 | 0 | 0 | 0 | 109.1 | G152 K176 D205 D238 | G152-H203 WeakPolarHBondContact O-CA 3.31Å; K176-H203 PolarHBondContact NZ-O 2.84Å; H203-D205 IonicContact CE1-OD1 2.75Å; H203-D238 IonicContact CD2-OD1 3.51Å; H203-D238 IonicContact CD2-OD2 2.69Å; H203-D238 IonicContact CE1-OD2 3.63Å; H203-D238 IonicContact NE2-OD1 3.25Å; H203-D238 PolarHBondContact NE2-OD1 3.05Å; H203-D238 IonicContact NE2-OD2 2.91Å; H203-D238 PolarHBondContact NE2-OD2 3.41Å |
| 204 | L | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 142.9 | -180 | -59 | -178.3 | 0 | 0 | 0 | 110.1 | F146 C148 P151 G152 Y154 F156 K176 L202 D208 V210 | F146-L204 HydrophobicContact CD1-CD1 4.35Å; F146-L204 HydrophobicContact CE1-CD1 3.88Å; C148-L204 HydrophobicContact CB-CB 4Å; C148-L204 HydrophobicContact CB-CD1 4.17Å; C148-L204 VanDerWaalsContact SG-CB 3.53Å; P151-L204 VanDerWaalsContact CA-O 3.23Å; P151-L204 WeakPolarHBondContact CA-O 3.06Å; G152-L204 PolarHBondContact N-O 3.01Å; G152-L204 VanDerWaalsContact N-O 3.15Å; G152-L204 PolarHBondContact O-N 3.37Å; Y154-L204 HydrophobicContact CD2-CB 3.94Å; Y154-L204 HydrophobicContact CD2-CD1 3.71Å; Y154-L204 HydrophobicContact CD2-CG 3.88Å; Y154-L204 HydrophobicContact CE2-CB 4.07Å; Y154-L204 HydrophobicContact CE2-CD1 4.23Å; Y154-L204 HydrophobicContact CE2-CG 4.46Å; Y154-L204 HydrophobicContact CG-CD1 3.89Å; Y154-L204 HydrophobicContact CG-CG 4.43Å; F156-L204 HydrophobicContact CE2-CD1 3.83Å; F156-L204 HydrophobicContact CZ-CD1 3.71Å; K176-L204 HydrophobicContact CD-CD2 3.81Å; K176-L204 HydrophobicContact CG-CD2 4.23Å; L202-L204 HydrophobicContact CB-CD2 4.08Å; L202-L204 HydrophobicContact CB-CG 4.44Å; L204-D208 WeakPolarHBondContact CA-OD2 3.32Å; L204-D208 HydrophobicContact CB-CB 4.25Å; L204-D208 HydrophobicContact CD2-CB 4.14Å; L204-V210 HydrophobicContact CD1-CG2 3.82Å; L204-V210 HydrophobicContact CD2-CG2 3.79Å |
| 205 | D | 98.6 | Very high | 97.3 | Very high | 86 Ų | 86 | 45.5 Ų | 45.5 | 46% | 0.46 | 25% | 0.249 | S | C | . | . | trans | -97.4 | 161.1 | 168.1 | -68 | -54 | 0 | 0 | 0 | 110.5 | C148 H203 G207 D208 | C148-D205 WeakPolarHBondContact CB-O 3.37Å; C148-D205 PolarHBondContact SG-O 3.08Å; H203-D205 IonicContact CE1-OD1 2.75Å; D205-G207 PolarHBondContact O-N 3.06Å; D205-D208 PolarHBondContact N-OD2 2.7Å; D205-D208 VanDerWaalsContact O-CB 3.29Å; D205-D208 WeakPolarHBondContact O-CB 3.45Å; D205-D208 PolarHBondContact O-N 3.32Å | ||
| 206 | V | 98.3 | Very high | 96.8 | Very high | 98 Ų | 98 | 41.5 Ų | 41.5 | 59% | 0.594 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 129.3 | 177.5 | -178 | 0 | 0 | 0 | 0 | 110.3 | C148 | C148-V206 WeakPolarHBondContact O-CA 3.43Š|
| 207 | G | 98.3 | Very high | 96.2 | Very high | 42 Ų | 42 | 42.6 Ų | 42.6 | 43% | 0.433 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.7 | -9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | C148 D205 E209 | C148-G207 PolarHBondContact O-N 2.8Å; D205-G207 PolarHBondContact O-N 3.06Å; G207-E209 PolarHBondContact O-N 2.64Å |
| 208 | D | 98.9 | Very high | 95.7 | Very high | 16 Ų | 16 | 44.4 Ų | 44.4 | 9% | 0.086 | 25% | 0.249 | C | C | . | . | trans | -58.3 | 131.2 | 172.6 | -78.9 | -16.5 | 0 | 0 | 0 | 110.7 | T147 C148 K176 N177 L204 D205 | T147-D208 WeakPolarHBondContact CA-O 3.23Å; C148-D208 HydrophobicContact CB-CB 4.05Å; C148-D208 WeakPolarHBondContact CB-O 3.43Å; C148-D208 PolarHBondContact N-O 2.83Å; K176-D208 VanDerWaalsContact CE-CG 3.45Å; K176-D208 WeakPolarHBondContact CE-OD2 3.19Å; K176-D208 IonicContact NZ-OD2 2.8Å; K176-D208 PolarHBondContact NZ-OD2 2.84Å; N177-D208 PolarHBondContact ND2-OD1 2.92Å; N177-D208 WeakPolarHBondContact OD1-CA 3.21Å; L204-D208 WeakPolarHBondContact CA-OD2 3.32Å; L204-D208 HydrophobicContact CB-CB 4.25Å; L204-D208 HydrophobicContact CD2-CB 4.14Å; D205-D208 PolarHBondContact N-OD2 2.7Å; D205-D208 VanDerWaalsContact O-CB 3.29Å; D205-D208 WeakPolarHBondContact O-CB 3.45Å; D205-D208 PolarHBondContact O-N 3.32Å | ||
| 209 | E | 98.8 | Very high | 95.4 | Very high | 65 Ų | 65 | 41.4 Ų | 41.4 | 30% | 0.304 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 126.1 | 177.5 | -65.5 | -172.9 | 133.2 | 0 | 0 | 110.8 | K145 F146 K176 N177 G207 F211 | K145-E209 HydrophobicContact CD-CB 4.33Å; K145-E209 HydrophobicContact CD-CG 4.28Å; K145-E209 WeakPolarHBondContact CD-OE1 3.49Å; K145-E209 IonicContact NZ-OE1 3.25Å; K145-E209 PolarHBondContact NZ-OE1 3.28Å; K145-E209 IonicContact NZ-OE2 2.62Å; K145-E209 PolarHBondContact NZ-OE2 2.99Å; F146-E209 CarbonylContact O-C 3.58Å; F146-E209 WeakPolarHBondContact O-CA 3.29Å; K176-E209 WeakPolarHBondContact CA-O 3.45Å; N177-E209 PolarHBondContact N-O 2.84Å; N177-E209 PolarHBondContact OD1-N 2.79Å; G207-E209 PolarHBondContact O-N 2.64Å; E209-F211 HydrophobicContact CB-CD1 4.35Å; E209-F211 HydrophobicContact CB-CE1 4.49Å |
| 210 | V | 98.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 127.5 | 172.4 | -174.1 | 0 | 0 | 0 | 0 | 110.3 | F146 F156 L174 M175 L204 F230 | F146-V210 HydrophobicContact CB-CB 4.43Å; F146-V210 HydrophobicContact CD1-CB 4.41Å; F146-V210 PolarHBondContact N-O 2.8Å; F146-V210 PolarHBondContact O-N 3.01Å; F156-V210 HydrophobicContact CD1-CG1 4.07Å; F156-V210 HydrophobicContact CD2-CG1 4.25Å; F156-V210 HydrophobicContact CE1-CB 4.12Å; F156-V210 HydrophobicContact CE1-CG1 4.02Å; F156-V210 HydrophobicContact CE1-CG2 4.49Å; F156-V210 HydrophobicContact CE2-CB 4.47Å; F156-V210 HydrophobicContact CE2-CG1 4.22Å; F156-V210 HydrophobicContact CE2-CG2 4.09Å; F156-V210 HydrophobicContact CG-CG1 4.19Å; F156-V210 HydrophobicContact CZ-CB 4.04Å; F156-V210 HydrophobicContact CZ-CG1 4.12Å; F156-V210 HydrophobicContact CZ-CG2 3.91Å; L174-V210 HydrophobicContact CD1-CG1 4.19Å; L174-V210 HydrophobicContact CD2-CG1 3.74Å; L174-V210 HydrophobicContact CG-CG1 3.93Å; M175-V210 VanDerWaalsContact O-CA 3.25Å; M175-V210 WeakPolarHBondContact O-CA 3.4Å; L204-V210 HydrophobicContact CD1-CG2 3.82Å; L204-V210 HydrophobicContact CD2-CG2 3.79Å; V210-F230 HydrophobicContact CG1-CZ 4.19Å |
| 211 | F | 98.8 | Very high | 94.9 | Very high | 17 Ų | 17 | 39.1 Ų | 39.1 | 8% | 0.075 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 165.1 | -177.5 | 58.6 | -88.5 | 0 | 0 | 0 | 112 | V125 K145 M175 E209 K213 | V125-F211 HydrophobicContact CB-CD2 4.33Å; V125-F211 HydrophobicContact CG1-CB 4.09Å; V125-F211 HydrophobicContact CG1-CD2 3.84Å; V125-F211 HydrophobicContact CG1-CG 4.23Å; V125-F211 HydrophobicContact CG2-CD2 3.71Å; V125-F211 HydrophobicContact CG2-CE2 3.71Å; K145-F211 HydrophobicContact CB-CB 4.26Å; K145-F211 HydrophobicContact CD-CD1 4.13Å; K145-F211 HydrophobicContact CG-CB 3.88Å; K145-F211 HydrophobicContact CG-CD1 4.1Å; K145-F211 HydrophobicContact CG-CG 4.16Å; M175-F211 HydrophobicContact CB-CD1 4.17Å; M175-F211 HydrophobicContact CB-CD2 3.88Å; M175-F211 HydrophobicContact CB-CE1 3.86Å; M175-F211 HydrophobicContact CB-CE2 3.55Å; M175-F211 HydrophobicContact CB-CG 4.18Å; M175-F211 HydrophobicContact CB-CZ 3.54Å; M175-F211 HydrophobicContact CG-CD2 3.92Å; M175-F211 HydrophobicContact CG-CE2 3.51Å; M175-F211 HydrophobicContact CG-CZ 3.94Å; M175-F211 PolarHBondContact N-O 3.11Å; M175-F211 PolarHBondContact O-N 2.99Å; M175-F211 VanDerWaalsContact O-N 3.16Å; E209-F211 HydrophobicContact CB-CD1 4.35Å; E209-F211 HydrophobicContact CB-CE1 4.49Å; F211-K213 HydrophobicContact CD2-CB 4.46Å; F211-K213 HydrophobicContact CE2-CB 4.23Å |
| 212 | I | 98.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 129.7 | 173.6 | -52.5 | -53.7 | 0 | 0 | 0 | 109 | V125 L126 F128 Y158 V160 A172 D173 L174 F230 | V125-I212 WeakPolarHBondContact CA-O 3.31Å; L126-I212 HydrophobicContact CB-CB 4.34Å; L126-I212 HydrophobicContact CB-CG2 4.39Å; L126-I212 HydrophobicContact CD2-CG2 4.44Å; L126-I212 PolarHBondContact N-O 3.42Å; F128-I212 HydrophobicContact CE2-CB 4.04Å; F128-I212 HydrophobicContact CE2-CG1 3.86Å; F128-I212 HydrophobicContact CZ-CG1 4.28Å; Y158-I212 HydrophobicContact CD1-CD1 3.52Å; Y158-I212 HydrophobicContact CD2-CD1 4.31Å; Y158-I212 HydrophobicContact CE1-CD1 4.12Å; Y158-I212 HydrophobicContact CG-CD1 3.61Å; Y158-I212 HydrophobicContact CG-CG1 4.3Å; V160-I212 HydrophobicContact CG2-CG2 4.46Å; A172-I212 HydrophobicContact CB-CG2 4.21Å; D173-I212 CarbonylContact O-C 3.54Å; D173-I212 VanDerWaalsContact O-CA 3.29Å; D173-I212 WeakPolarHBondContact O-CA 3.43Å; L174-I212 HydrophobicContact CB-CD1 3.83Å; L174-I212 HydrophobicContact CD1-CD1 4.19Å; L174-I212 HydrophobicContact CG-CD1 4.1Å; I212-F230 HydrophobicContact CD1-CD2 4.1Å; I212-F230 HydrophobicContact CD1-CE2 3.95Å; I212-F230 HydrophobicContact CD1-CZ 4.31Å; I212-F230 HydrophobicContact CG1-CD1 4.26Å; I212-F230 HydrophobicContact CG1-CD2 4.06Å; I212-F230 HydrophobicContact CG1-CE1 4.45Å; I212-F230 HydrophobicContact CG1-CE2 4.26Å; I212-F230 HydrophobicContact CG1-CG 4.07Å; I212-F230 HydrophobicContact CG1-CZ 4.46Å |
| 213 | K | 96 | Very high | 94.3 | Very high | 81 Ų | 81 | 41.7 Ų | 41.7 | 35% | 0.352 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 136.9 | 172 | -175.3 | -177.3 | 167.1 | -168.4 | 0 | 109.1 | Y123 D173 M175 F211 | Y123-K213 VanDerWaalsContact O-CE 3.29Å; Y123-K213 WeakPolarHBondContact O-CE 3.47Å; D173-K213 PolarHBondContact N-O 3.37Å; D173-K213 PolarHBondContact O-N 3.02Å; M175-K213 HydrophobicContact CG-CB 3.69Å; M175-K213 HydrophobicContact SD-CB 4.25Å; F211-K213 HydrophobicContact CD2-CB 4.46Å; F211-K213 HydrophobicContact CE2-CB 4.23Å |
| 214 | L | 92.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 145 | 172.1 | -58.4 | -178.5 | 0 | 0 | 0 | 110.7 | H120 G122 Y123 E124 L126 V160 M162 W171 A172 V219 | H120-L214 HydrophobicContact CB-CD1 4.47Å; G122-L214 WeakPolarHBondContact O-CB 3.5Å; Y123-L214 CarbonylContact C-O 3.55Å; Y123-L214 VanDerWaalsContact CA-O 3.31Å; Y123-L214 WeakPolarHBondContact CA-O 3.24Å; E124-L214 PolarHBondContact O-N 3.04Å; L126-L214 HydrophobicContact CB-CD2 4.48Å; L126-L214 HydrophobicContact CB-CG 4.25Å; L126-L214 HydrophobicContact CD1-CD1 4.31Å; L126-L214 HydrophobicContact CD2-CD2 4.18Å; V160-L214 HydrophobicContact CG1-CD2 4.45Å; M162-L214 HydrophobicContact CE-CD2 3.78Å; W171-L214 WeakPolarHBondContact O-CA 3.39Å; A172-L214 HydrophobicContact CB-CD2 4.41Å; L214-V219 HydrophobicContact CD1-CB 4.37Å; L214-V219 HydrophobicContact CD1-CG2 3.44Å; L214-V219 VanDerWaalsContact CD1-CG2 3.44Å; L214-V219 HydrophobicContact CD2-CG2 3.76Å; L214-V219 HydrophobicContact CG-CG2 4.24Å |
| 215 | D | 88.2 | Confident | 94.1 | Very high | 61 Ų | 61 | 43 Ų | 43 | 33% | 0.326 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 76.5 | 165.8 | -163.1 | 23 | 0 | 0 | 0 | 107.9 | Y123 W171 | Y123-D215 WeakPolarHBondContact CD1-OD1 3.42Å; Y123-D215 WeakPolarHBondContact CE1-OD1 3.18Å; W171-D215 HydrophobicContact CB-CB 3.97Å; W171-D215 HydrophobicContact CE3-CB 3.95Å; W171-D215 PolarHBondContact N-O 3.27Å; W171-D215 PolarHBondContact O-N 3.27Å |
| 216 | G | 84.1 | Confident | 94 | Very high | 8 Ų | 8 | 42.7 Ų | 42.7 | 8% | 0.082 | 25% | 0.246 | C | C | . | . | S | Bend | trans | 85.1 | 174.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | G122 | G122-G216 WeakPolarHBondContact O-CA 3.29Å; G122-G216 PolarHBondContact O-N 2.7Å; G122-G216 VanDerWaalsContact O-N 3.12Å |
| 217 | G | 81.6 | Confident | 93.9 | Very high | 23 Ų | 23 | 43.1 Ų | 43.1 | 24% | 0.237 | 24% | 0.237 | C | C | . | . | S | Bend | trans | 86.4 | 174.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | E121 G122 M170 | E121-G217 WeakPolarHBondContact CA-O 3.32Å; G122-G217 PolarHBondContact N-O 3.39Å; M170-G217 WeakPolarHBondContact SD-CA 3.22Å |
| 218 | K | 87.3 | Confident | 93.9 | Very high | 83 Ų | 83 | 41.1 Ų | 41.1 | 36% | 0.361 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 133.3 | 171.9 | -173.4 | 170.9 | -172.4 | 153.8 | 0 | 110.2 | M162 R163 | M162-K218 CarbonylContact C-O 3.47Å; M162-K218 WeakPolarHBondContact CA-O 3.09Å; R163-K218 PolarHBondContact N-O 3.02Å; R163-K218 PolarHBondContact O-N 2.9Å |
| 219 | V | 91.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 142.6 | -177.1 | -178.4 | 0 | 0 | 0 | 0 | 111 | L116 P119 H120 L126 V160 L161 M162 L214 S228 | L116-V219 HydrophobicContact CD2-CB 4.21Å; L116-V219 HydrophobicContact CD2-CG1 3.49Å; L116-V219 VanDerWaalsContact CD2-CG1 3.49Å; P119-V219 VanDerWaalsContact CA-O 3.29Å; P119-V219 WeakPolarHBondContact CA-O 3.21Å; H120-V219 PolarHBondContact N-O 2.91Å; H120-V219 PolarHBondContact O-N 3.25Å; L126-V219 HydrophobicContact CD1-CB 4.39Å; L126-V219 HydrophobicContact CD1-CG1 4.3Å; L126-V219 HydrophobicContact CD2-CG1 3.99Å; L126-V219 HydrophobicContact CD2-CG2 4.5Å; V160-V219 HydrophobicContact CG1-CB 4.17Å; V160-V219 HydrophobicContact CG1-CG1 3.39Å; V160-V219 HydrophobicContact CG1-CG2 3.6Å; L161-V219 WeakPolarHBondContact O-CA 3.34Å; M162-V219 HydrophobicContact CE-CG2 3.98Å; M162-V219 HydrophobicContact CG-CG2 4.3Å; L214-V219 HydrophobicContact CD1-CB 4.37Å; L214-V219 HydrophobicContact CD1-CG2 3.44Å; L214-V219 VanDerWaalsContact CD1-CG2 3.44Å; L214-V219 HydrophobicContact CD2-CG2 3.76Å; L214-V219 HydrophobicContact CG-CG2 4.24Å; V219-S228 WeakPolarHBondContact CG1-OG 3.25Å |
| 220 | H | 92.8 | Very high | 93.9 | Very high | 33 Ų | 33 | 37.8 Ų | 37.8 | 15% | 0.153 | 20% | 0.202 | C | C | . | . | trans | -124.7 | 134.6 | -174.7 | -68.8 | -93.3 | 0 | 0 | 0 | 113.1 | L161 Y193 S228 | L161-H220 HydrophobicContact CD2-CB 4.06Å; L161-H220 HydrophobicContact CG-CB 4.4Å; L161-H220 PolarHBondContact O-N 2.97Å; Y193-H220 HydrophobicContact CE1-CB 4.38Å; Y193-H220 AromaticContact CE1-CD2 3.53Å; Y193-H220 AromaticContact CE1-CG 3.86Å; Y193-H220 AromaticContact CE1-NE2 3.84Å; H220-S228 WeakPolarHBondContact O-CB 3.14Å; H220-S228 PolarHBondContact O-OG 3.49Å | ||
| 221 | G | 94.1 | Very high | 93.9 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | trans | -81.6 | -18.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L116 N225 K226 Y227 | L116-G221 WeakPolarHBondContact O-CA 3.34Å; G221-N225 CarbonylContact O-C 3.44Å; G221-N225 WeakPolarHBondContact O-CA 3.49Å; G221-N225 PolarHBondContact O-N 3.42Å; G221-K226 PolarHBondContact O-N 3.11Å; G221-K226 VanDerWaalsContact O-N 3.15Å; G221-Y227 PolarHBondContact O-N 3.03Å; G221-Y227 VanDerWaalsContact O-N 3.09Å | ||
| 222 | G | 92.4 | Very high | 93.9 | Very high | 38 Ų | 38 | 38.4 Ų | 38.4 | 39% | 0.392 | 21% | 0.208 | S | C | . | . | trans | 67.3 | -174.2 | -166.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T224 N225 | G222-T224 VanDerWaalsContact C-N 3.31Å; G222-T224 PolarHBondContact O-N 3.19Å; G222-N225 PolarHBondContact O-N 3.38Å | ||
| 223 | N | 93.6 | Very high | 93.9 | Very high | 141 Ų | 141 | 42.9 Ų | 42.9 | 75% | 0.754 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -21.9 | -176.6 | 61.3 | -11.9 | 0 | 0 | 0 | 114.3 | ||
| 224 | T | 95.1 | Very high | 94 | Very high | 75 Ų | 75 | 40 Ų | 40 | 46% | 0.46 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | 2.4 | -179.2 | 60.1 | 0 | 0 | 0 | 0 | 113.1 | G222 K226 | G222-T224 VanDerWaalsContact C-N 3.31Å; G222-T224 PolarHBondContact O-N 3.19Å; T224-K226 WeakPolarHBondContact O-CG 3.01Å; T224-K226 PolarHBondContact O-N 2.96Å; T224-K226 PolarHBondContact O-NZ 3.45Å |
| 225 | N | 97 | Very high | 94.3 | Very high | 33 Ų | 33 | 43.6 Ų | 43.6 | 18% | 0.176 | 23% | 0.234 | C | C | . | . | S | Bend | trans | 64.6 | 7.6 | -174.2 | -45.5 | -31 | 0 | 0 | 0 | 114.7 | G115 L116 D130 G221 G222 | G115-N225 CarbonylContact C-O 3.55Å; G115-N225 VanDerWaalsContact CA-O 3.25Å; G115-N225 WeakPolarHBondContact CA-O 3.42Å; L116-N225 PolarHBondContact N-O 3.03Å; L116-N225 WeakPolarHBondContact O-CA 3.37Å; L116-N225 WeakPolarHBondContact O-CB 3.41Å; D130-N225 HydrophobicContact CB-CB 4Å; D130-N225 VanDerWaalsContact OD2-CB 3.31Å; D130-N225 WeakPolarHBondContact OD2-CB 3.11Å; D130-N225 PolarHBondContact OD2-ND2 3.38Å; G221-N225 CarbonylContact O-C 3.44Å; G221-N225 WeakPolarHBondContact O-CA 3.49Å; G221-N225 PolarHBondContact O-N 3.42Å; G222-N225 PolarHBondContact O-N 3.38Å |
| 226 | K | 97.2 | Very high | 94.6 | Very high | 79 Ų | 79 | 47 Ų | 47 | 34% | 0.343 | 24% | 0.244 | S | C | . | . | trans | -103.3 | 3 | -172.2 | -56.9 | -54 | 176.5 | -73.6 | 0 | 115 | Y113 D130 G221 T224 T229 | Y113-K226 HydrophobicContact CE1-CD 4.42Å; D130-K226 IonicContact OD2-NZ 3.17Å; D130-K226 PolarHBondContact OD2-NZ 3.44Å; G221-K226 PolarHBondContact O-N 3.11Å; G221-K226 VanDerWaalsContact O-N 3.15Å; T224-K226 WeakPolarHBondContact O-CG 3.01Å; T224-K226 PolarHBondContact O-N 2.96Å; T224-K226 PolarHBondContact O-NZ 3.45Å; K226-T229 WeakPolarHBondContact O-CG2 3.31Å | ||
| 227 | Y | 96.8 | Very high | 95.2 | Very high | 107 Ų | 107 | 49.1 Ų | 49.1 | 42% | 0.42 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -75.6 | -39.4 | 177.7 | -76.5 | -102 | 0 | 0 | 0 | 111.8 | L161 Y195 G221 | L161-Y227 HydrophobicContact CD2-CD1 3.8Å; L161-Y227 HydrophobicContact CD2-CG 4.02Å; Y195-Y227 WeakPolarHBondContact CE1-O 3.24Å; Y195-Y227 WeakPolarHBondContact OH-CA 3.24Å; Y195-Y227 PolarHBondContact OH-O 2.94Å; G221-Y227 PolarHBondContact O-N 3.03Å; G221-Y227 VanDerWaalsContact O-N 3.09Å |
| 228 | S | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -105.2 | 125.1 | 172.3 | -66 | 0 | 0 | 0 | 0 | 110 | G115 L116 H159 L161 V219 H220 | G115-S228 CarbonylContact C-O 3.47Å; G115-S228 WeakPolarHBondContact CA-O 3.49Å; L116-S228 PolarHBondContact N-O 2.85Å; L116-S228 VanDerWaalsContact N-O 3.08Å; H159-S228 CarbonylContact O-C 3.52Å; H159-S228 VanDerWaalsContact O-CA 3.22Å; H159-S228 WeakPolarHBondContact O-CA 3.49Å; L161-S228 PolarHBondContact N-OG 2.87Å; V219-S228 WeakPolarHBondContact CG1-OG 3.25Å; H220-S228 WeakPolarHBondContact O-CB 3.14Å; H220-S228 PolarHBondContact O-OG 3.49Å |
| 229 | T | 98.8 | Very high | 96.1 | Very high | 12 Ų | 12 | 53.5 Ų | 53.5 | 7% | 0.074 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 148.7 | -172.2 | 63.2 | 0 | 0 | 0 | 0 | 112.7 | Y113 A114 F128 Y158 H159 K226 | Y113-T229 HydrophobicContact CE2-CG2 3.65Å; Y113-T229 WeakPolarHBondContact OH-CG2 3.46Å; A114-T229 VanDerWaalsContact O-CA 3.29Å; A114-T229 WeakPolarHBondContact O-CA 3.33Å; F128-T229 VanDerWaalsContact CE1-C 3.45Å; Y158-T229 WeakPolarHBondContact CA-O 3.45Å; H159-T229 PolarHBondContact N-O 3.28Å; H159-T229 PolarHBondContact O-N 3.47Å; K226-T229 WeakPolarHBondContact O-CG2 3.31Å |
| 230 | F | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 135.7 | 169.2 | -177.7 | -145.3 | 0 | 0 | 0 | 109.9 | F112 Y113 A114 F128 Y139 F156 A157 L174 V210 I212 | F112-F230 HydrophobicContact CE2-CB 4.48Å; F112-F230 AromaticContact CE2-CD1 3.58Å; F112-F230 HydrophobicContact CE2-CD1 3.58Å; F112-F230 HydrophobicContact CE2-CD2 4.46Å; F112-F230 AromaticContact CE2-CE1 3.83Å; F112-F230 HydrophobicContact CE2-CE1 3.83Å; F112-F230 AromaticContact CE2-CG 3.91Å; F112-F230 HydrophobicContact CE2-CG 3.91Å; F112-F230 HydrophobicContact CE2-CZ 4.37Å; F112-F230 AromaticContact CZ-CD1 3.8Å; F112-F230 HydrophobicContact CZ-CD1 3.8Å; F112-F230 HydrophobicContact CZ-CD2 4.28Å; F112-F230 AromaticContact CZ-CE1 3.58Å; F112-F230 HydrophobicContact CZ-CE1 3.58Å; F112-F230 HydrophobicContact CZ-CE2 4.08Å; F112-F230 HydrophobicContact CZ-CG 4.13Å; F112-F230 AromaticContact CZ-CZ 3.73Å; F112-F230 HydrophobicContact CZ-CZ 3.73Å; Y113-F230 WeakPolarHBondContact CA-O 3.45Å; A114-F230 PolarHBondContact N-O 3.36Å; A114-F230 PolarHBondContact O-N 3.21Å; F128-F230 HydrophobicContact CD1-CB 4.14Å; F128-F230 HydrophobicContact CD2-CB 3.54Å; F128-F230 HydrophobicContact CD2-CD1 4.17Å; F128-F230 HydrophobicContact CD2-CG 4.28Å; F128-F230 HydrophobicContact CE1-CB 4.07Å; F128-F230 HydrophobicContact CE2-CB 3.47Å; F128-F230 VanDerWaalsContact CE2-CB 3.47Å; F128-F230 HydrophobicContact CE2-CD1 4.25Å; F128-F230 HydrophobicContact CE2-CG 4.12Å; F128-F230 HydrophobicContact CG-CB 3.88Å; F128-F230 HydrophobicContact CZ-CB 3.73Å; Y139-F230 AromaticContact CE2-CD1 3.94Å; Y139-F230 HydrophobicContact CE2-CD1 3.94Å; Y139-F230 HydrophobicContact CE2-CE1 4.22Å; F156-F230 HydrophobicContact CB-CE2 4.19Å; F156-F230 HydrophobicContact CD1-CE2 4.03Å; F156-F230 AromaticContact CD1-CZ 3.95Å; F156-F230 HydrophobicContact CD1-CZ 3.95Å; A157-F230 WeakPolarHBondContact O-CD2 3.4Å; L174-F230 HydrophobicContact CD1-CE2 4.19Å; V210-F230 HydrophobicContact CG1-CZ 4.19Å; I212-F230 HydrophobicContact CD1-CD2 4.1Å; I212-F230 HydrophobicContact CD1-CE2 3.95Å; I212-F230 HydrophobicContact CD1-CZ 4.31Å; I212-F230 HydrophobicContact CG1-CD1 4.26Å; I212-F230 HydrophobicContact CG1-CD2 4.06Å; I212-F230 HydrophobicContact CG1-CE1 4.45Å; I212-F230 HydrophobicContact CG1-CE2 4.26Å; I212-F230 HydrophobicContact CG1-CG 4.07Å; I212-F230 HydrophobicContact CG1-CZ 4.46Å |
| 231 | S | 98.9 | Very high | 96.5 | Very high | 29 Ų | 29 | 57.6 Ų | 57.6 | 20% | 0.203 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 157.6 | -178.9 | 58.4 | 0 | 0 | 0 | 0 | 111.7 | F112 F156 A157 | F112-S231 VanDerWaalsContact O-CA 3.28Å; F112-S231 WeakPolarHBondContact O-CA 3.24Å; F112-S231 WeakPolarHBondContact O-CB 3.32Å; F156-S231 WeakPolarHBondContact CA-O 3.49Å; A157-S231 PolarHBondContact N-O 3.15Å; A157-S231 PolarHBondContact O-N 3.42Å; A157-S231 PolarHBondContact O-OG 3.29Å |
| 232 | G | 98.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.3 | 162.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A111 F112 F155 | A111-G232 CarbonylContact C-O 3.11Å; A111-G232 VanDerWaalsContact CA-O 3.31Å; A111-G232 WeakPolarHBondContact CA-O 3.48Å; F112-G232 WeakPolarHBondContact CD1-O 3.49Å; F112-G232 VanDerWaalsContact CE1-N 3.29Å; F112-G232 PolarHBondContact N-O 3.29Å; F112-G232 PolarHBondContact O-N 2.82Å; F112-G232 VanDerWaalsContact O-N 3.09Å; F155-G232 CarbonylContact O-C 3.5Å; F155-G232 WeakPolarHBondContact O-CA 3.19Å |
| 233 | F | 98.8 | Very high | 96.9 | Very high | 94 Ų | 94 | 62.2 Ų | 62.2 | 41% | 0.412 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 156.3 | 179.1 | 56.5 | -92 | 0 | 0 | 0 | 111.2 | I110 A111 Y154 F155 I235 | I110-F233 CarbonylContact O-C 3.45Å; I110-F233 WeakPolarHBondContact O-CA 3.36Å; I110-F233 WeakPolarHBondContact O-CB 3.43Å; A111-F233 HydrophobicContact CB-CB 3.79Å; Y154-F233 WeakPolarHBondContact CA-O 3.45Å; F155-F233 HydrophobicContact CB-CD2 4.46Å; F155-F233 HydrophobicContact CB-CE1 4.1Å; F155-F233 HydrophobicContact CB-CE2 4.02Å; F155-F233 HydrophobicContact CB-CZ 3.82Å; F155-F233 HydrophobicContact CD1-CD1 4.01Å; F155-F233 AromaticContact CD1-CE1 3.32Å; F155-F233 HydrophobicContact CD1-CE1 3.32Å; F155-F233 AromaticContact CD1-CZ 3.71Å; F155-F233 HydrophobicContact CD1-CZ 3.71Å; F155-F233 HydrophobicContact CE1-CE1 4.04Å; F155-F233 HydrophobicContact CG-CE1 4.01Å; F155-F233 AromaticContact CG-CZ 3.94Å; F155-F233 HydrophobicContact CG-CZ 3.94Å; F155-F233 PolarHBondContact N-O 3.47Å; F155-F233 PolarHBondContact O-N 3.15Å; F233-I235 HydrophobicContact CE2-CG1 4.32Å |
| 234 | I | 98.3 | Very high | 97.2 | Very high | 20 Ų | 20 | 56.9 Ų | 56.9 | 10% | 0.103 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 131.5 | 170.5 | -168 | 170.5 | 0 | 0 | 0 | 109.8 | I110 Y154 P237 | I110-I234 HydrophobicContact CB-CB 4.19Å; I110-I234 HydrophobicContact CB-CG2 3.87Å; I110-I234 HydrophobicContact CD1-CB 4.48Å; I110-I234 HydrophobicContact CD1-CD1 4.22Å; I110-I234 HydrophobicContact CD1-CG2 4.43Å; I110-I234 HydrophobicContact CG1-CG2 4.41Å; I110-I234 PolarHBondContact O-N 3.23Å; Y154-I234 HydrophobicContact CD1-CB 3.87Å; Y154-I234 HydrophobicContact CD1-CG1 4.32Å; Y154-I234 HydrophobicContact CE1-CB 3.55Å; Y154-I234 HydrophobicContact CE1-CD1 4.28Å; Y154-I234 HydrophobicContact CE1-CG1 3.93Å; Y154-I234 HydrophobicContact CE2-CD1 4.43Å; Y154-I234 HydrophobicContact CE2-CG1 4.33Å; I234-P237 HydrophobicContact CD1-CB 4.07Å |
| 235 | I | 97.7 | Very high | 97.3 | Very high | 75 Ų | 75 | 55.6 Ų | 55.6 | 39% | 0.385 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | -53.4 | 172.1 | -48 | -175 | 0 | 0 | 0 | 108.8 | V153 F155 I201 F233 | V153-I235 HydrophobicContact CG1-CD1 4.06Å; V153-I235 WeakPolarHBondContact O-CB 3.47Å; V153-I235 PolarHBondContact O-N 3.36Å; F155-I235 HydrophobicContact CB-CD1 4.13Å; F155-I235 HydrophobicContact CB-CG1 4.19Å; I201-I235 HydrophobicContact CD1-CD1 4.28Å; I201-I235 HydrophobicContact CG1-CD1 4.27Å; I201-I235 HydrophobicContact CG2-CD1 3.97Å; F233-I235 HydrophobicContact CE2-CG1 4.32Å |
| 236 | Y | 95.1 | Very high | 97.3 | Very high | 134 Ų | 134 | 57.4 Ų | 57.4 | 53% | 0.525 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 142.6 | 173.1 | 45.9 | -94.9 | 0 | 0 | 0 | 110.8 | G152 V153 | G152-Y236 WeakPolarHBondContact CA-O 3.48Å; V153-Y236 HydrophobicContact CB-CD2 4.08Å; V153-Y236 HydrophobicContact CB-CE1 4.21Å; V153-Y236 HydrophobicContact CB-CE2 3.59Å; V153-Y236 HydrophobicContact CG1-CE1 4.44Å; V153-Y236 HydrophobicContact CG1-CE2 4.48Å; V153-Y236 HydrophobicContact CG2-CD2 4.09Å; V153-Y236 HydrophobicContact CG2-CE2 3.29Å; V153-Y236 PolarHBondContact N-O 3.01Å; V153-Y236 PolarHBondContact O-N 3Å |
| 237 | P | 95.6 | Very high | 97.3 | Very high | 51 Ų | 51 | 55.6 Ų | 55.6 | 33% | 0.331 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 159.6 | 168.4 | 34.4 | -36.6 | 0 | 0 | 0 | 110.6 | P108 M150 I234 | P108-P237 HydrophobicContact CG-CB 3.89Å; P108-P237 HydrophobicContact CG-CG 3.67Å; M150-P237 HydrophobicContact SD-CB 3.94Å; I234-P237 HydrophobicContact CD1-CB 4.07Å |
| 238 | D | 92.8 | Very high | 97.4 | Very high | 144 Ų | 144 | 50.9 Ų | 50.9 | 77% | 0.77 | 26% | 0.256 | S | S | * | . | trans | -68.1 | 0 | 169.5 | -70.7 | -8.2 | 0 | 0 | 0 | 113 | P151 G152 H203 | P151-D238 HydrophobicContact CB-CB 4.48Å; P151-D238 PolarHBondContact O-N 2.87Å; G152-D238 WeakPolarHBondContact CA-OD1 3.38Å; H203-D238 IonicContact CD2-OD1 3.51Å; H203-D238 IonicContact CD2-OD2 2.69Å; H203-D238 IonicContact CE1-OD2 3.63Å; H203-D238 IonicContact NE2-OD1 3.25Å; H203-D238 PolarHBondContact NE2-OD1 3.05Å; H203-D238 IonicContact NE2-OD2 2.91Å; H203-D238 PolarHBondContact NE2-OD2 3.41Å |
Retrieved 238 of 238 residues in 103 ms
(Link to these results)