| 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 | 54.7 | Low | 60.7 | Low | 190 Ų | 190 | 106.4 Ų | 106.4 | 94% | 0.936 | 59% | 0.594 | S | S | * | * | 0 | -53.2 | 0 | -61.2 | -53.9 | -92.8 | 0 | 0 | 112.6 | V3 I4 V5 | M1-V3 PolarHBondContact O-N 2.95Å; M1-I4 PolarHBondContact O-N 3.29Å; M1-V5 WeakPolarHBondContact O-CG2 2.96Å; M1-V5 PolarHBondContact O-N 3.46Å | |||
| 2 | A | 59.6 | Low | 60 | Low | 81 Ų | 81 | 112.5 Ų | 112.5 | 67% | 0.669 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -60.8 | -37.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | I4 V5 A6 | A2-I4 PolarHBondContact O-N 3.48Å; A2-V5 PolarHBondContact O-N 3.5Å; A2-A6 WeakPolarHBondContact O-CB 3.24Å; A2-A6 PolarHBondContact O-N 3.33Å |
| 3 | V | 64.3 | Low | 59.1 | Low | 118 Ų | 118 | 120.8 Ų | 120.8 | 72% | 0.715 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -68.4 | -35.2 | -179.8 | -177.4 | 0 | 0 | 0 | 0 | 112.3 | M1 L7 | M1-V3 PolarHBondContact O-N 2.95Å; V3-L7 WeakPolarHBondContact O-CB 3.46Å; V3-L7 PolarHBondContact O-N 3.29Å |
| 4 | I | 63.1 | Low | 58 | Low | 100 Ų | 100 | 119.8 Ų | 119.8 | 51% | 0.513 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -72.3 | -40.7 | 179.1 | -61.5 | 170.9 | 0 | 0 | 0 | 110 | M1 A2 L7 H8 | M1-I4 PolarHBondContact O-N 3.29Å; A2-I4 PolarHBondContact O-N 3.48Å; I4-L7 PolarHBondContact O-N 3.48Å; I4-H8 PolarHBondContact O-N 3.33Å; I4-H8 PolarHBondContact O-ND1 3.35Å |
| 5 | V | 69.5 | Low | 57 | Low | 87 Ų | 87 | 115.3 Ų | 115.3 | 53% | 0.527 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -64.5 | -42.8 | 175.1 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | M1 A2 H8 L9 | M1-V5 WeakPolarHBondContact O-CG2 2.96Å; M1-V5 PolarHBondContact O-N 3.46Å; A2-V5 PolarHBondContact O-N 3.5Å; V5-H8 PolarHBondContact O-N 2.76Å; V5-L9 HydrophobicContact CG1-CD1 3.85Å; V5-L9 WeakPolarHBondContact O-CB 3.32Å; V5-L9 PolarHBondContact O-N 2.97Å |
| 6 | A | 66.2 | Low | 55.6 | Low | 46 Ų | 46 | 114.8 Ų | 114.8 | 38% | 0.38 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -63.9 | -40.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A2 L9 L10 | A2-A6 WeakPolarHBondContact O-CB 3.24Å; A2-A6 PolarHBondContact O-N 3.33Å; A6-L9 PolarHBondContact O-N 3.5Å; A6-L10 WeakPolarHBondContact O-CB 3.42Å; A6-L10 VanDerWaalsContact O-CG 3.32Å; A6-L10 WeakPolarHBondContact O-CG 3.39Å; A6-L10 PolarHBondContact O-N 3.37Å |
| 7 | L | 58.8 | Low | 54.6 | Low | 106 Ų | 106 | 115.2 Ų | 115.2 | 56% | 0.555 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -65.8 | -38.3 | 176.4 | -159.1 | 80.3 | 0 | 0 | 0 | 111.8 | V3 I4 L11 | V3-L7 WeakPolarHBondContact O-CB 3.46Å; V3-L7 PolarHBondContact O-N 3.29Å; I4-L7 PolarHBondContact O-N 3.48Å; L7-L11 WeakPolarHBondContact O-CB 3.36Å; L7-L11 WeakPolarHBondContact O-CD1 3.49Å; L7-L11 VanDerWaalsContact O-CG 3.25Å; L7-L11 WeakPolarHBondContact O-CG 3.4Å; L7-L11 PolarHBondContact O-N 3.21Å |
| 8 | H | 59 | Low | 53.7 | Low | 117 Ų | 117 | 122.3 Ų | 122.3 | 54% | 0.542 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -69.5 | -36.9 | 175.4 | -77.3 | 28 | 0 | 0 | 0 | 112.7 | I4 V5 L11 F12 | I4-H8 PolarHBondContact O-N 3.33Å; I4-H8 PolarHBondContact O-ND1 3.35Å; V5-H8 PolarHBondContact O-N 2.76Å; H8-L11 PolarHBondContact O-N 3.46Å; H8-F12 PolarHBondContact O-N 2.93Å |
| 9 | L | 59.2 | Low | 52.9 | Low | 93 Ų | 93 | 120.5 Ų | 120.5 | 49% | 0.487 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -66.5 | -40 | 173.7 | -92.5 | 146.1 | 0 | 0 | 0 | 112.3 | V5 A6 F12 W13 | V5-L9 HydrophobicContact CG1-CD1 3.85Å; V5-L9 WeakPolarHBondContact O-CB 3.32Å; V5-L9 PolarHBondContact O-N 2.97Å; A6-L9 PolarHBondContact O-N 3.5Å; L9-F12 PolarHBondContact O-N 2.96Å; L9-W13 PolarHBondContact O-N 3.33Å |
| 10 | L | 57.7 | Low | 52.2 | Low | 114 Ų | 114 | 119 Ų | 119 | 60% | 0.597 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -68 | -36.6 | 175.4 | -73 | 166.6 | 0 | 0 | 0 | 112.2 | A6 F12 W13 C14 | A6-L10 WeakPolarHBondContact O-CB 3.42Å; A6-L10 VanDerWaalsContact O-CG 3.32Å; A6-L10 WeakPolarHBondContact O-CG 3.39Å; A6-L10 PolarHBondContact O-N 3.37Å; L10-F12 VanDerWaalsContact C-N 3.31Å; L10-W13 PolarHBondContact O-N 2.94Å; L10-C14 WeakPolarHBondContact O-CB 3.47Å; L10-C14 PolarHBondContact O-N 3.37Å |
| 11 | L | 56 | Low | 51.6 | Low | 118 Ų | 118 | 117.8 Ų | 117.8 | 62% | 0.618 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -68.3 | -29.7 | 172.9 | -72.4 | 165.3 | 0 | 0 | 0 | 112.5 | L7 H8 | L7-L11 WeakPolarHBondContact O-CB 3.36Å; L7-L11 WeakPolarHBondContact O-CD1 3.49Å; L7-L11 VanDerWaalsContact O-CG 3.25Å; L7-L11 WeakPolarHBondContact O-CG 3.4Å; L7-L11 PolarHBondContact O-N 3.21Å; H8-L11 PolarHBondContact O-N 3.46Å |
| 12 | F | 52.2 | Low | 51.6 | Low | 180 Ų | 180 | 112 Ų | 112 | 79% | 0.789 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -75.3 | -31.6 | 174.9 | -119.1 | -92.4 | 0 | 0 | 0 | 113.1 | H8 L9 L10 | H8-F12 PolarHBondContact O-N 2.93Å; L9-F12 PolarHBondContact O-N 2.96Å; L10-F12 VanDerWaalsContact C-N 3.31Å |
| 13 | W | 47.9 | Very low | 52 | Low | 221 Ų | 221 | 111.9 Ų | 111.9 | 84% | 0.837 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -88.1 | -22.4 | 177.3 | -76.7 | 5.7 | 0 | 0 | 0 | 113.9 | L9 L10 G15 | L9-W13 PolarHBondContact O-N 3.33Å; L10-W13 PolarHBondContact O-N 2.94Å; W13-G15 PolarHBondContact O-N 3.04Å |
| 14 | C | 43.2 | Very low | 53 | Low | 106 Ų | 106 | 109.9 Ų | 109.9 | 72% | 0.716 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | 26.8 | 164.2 | -92.8 | 0 | 0 | 0 | 0 | 112.7 | L10 C16 | L10-C14 WeakPolarHBondContact O-CB 3.47Å; L10-C14 PolarHBondContact O-N 3.37Å; C14-C16 PolarHBondContact O-N 3.42Å |
| 15 | G | 43.1 | Very low | 54.3 | Low | 52 Ų | 52 | 109.4 Ų | 109.4 | 54% | 0.536 | 62% | 0.619 | S | S | . | * | trans | -63.5 | 91.1 | 159.9 | 0 | 0 | 0 | 0 | 0 | 108 | W13 | W13-G15 PolarHBondContact O-N 3.04Š| ||
| 16 | C | 35.2 | Very low | 55.3 | Low | 108 Ų | 108 | 108.7 Ų | 108.7 | 73% | 0.73 | 61% | 0.611 | S | S | * | * | trans | -40.8 | 129.5 | 159.5 | -73.1 | 0 | 0 | 0 | 0 | 106.4 | C14 R18 | C14-C16 PolarHBondContact O-N 3.42Å; C16-R18 VanDerWaalsContact C-N 3.31Å; C16-R18 PolarHBondContact O-N 3.26Å | ||
| 17 | P | 38.4 | Very low | 56.6 | Low | 122 Ų | 122 | 107.8 Ų | 107.8 | 79% | 0.792 | 60% | 0.6 | S | S | * | * | trans | -51.4 | 111.7 | 169.5 | 20.9 | -29.3 | 0 | 0 | 0 | 104.4 | A19 | P17-A19 PolarHBondContact O-N 2.92Š| ||
| 18 | R | 37.8 | Very low | 58.2 | Low | 242 Ų | 242 | 103.9 Ų | 103.9 | 91% | 0.913 | 58% | 0.578 | S | S | * | * | trans | -64.6 | 92.3 | -178.5 | -157.5 | 176.2 | -168.7 | 161.6 | 1.8 | 102 | C16 A20 | C16-R18 VanDerWaalsContact C-N 3.31Å; C16-R18 PolarHBondContact O-N 3.26Å; R18-A20 VanDerWaalsContact C-N 3.34Å; R18-A20 PolarHBondContact O-N 3.35Å | ||
| 19 | A | 38.5 | Very low | 60 | Low | 89 Ų | 89 | 98.4 Ų | 98.4 | 74% | 0.736 | 55% | 0.553 | S | S | * | * | trans | -46.4 | 112 | 172.1 | 0 | 0 | 0 | 0 | 0 | 103.2 | P17 A21 | P17-A19 PolarHBondContact O-N 2.92Å; A19-A21 PolarHBondContact O-N 3.38Å | ||
| 20 | A | 38.9 | Very low | 61.7 | Low | 90 Ų | 90 | 94.6 Ų | 94.6 | 74% | 0.744 | 53% | 0.533 | S | S | * | . | trans | -50.7 | 113.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 105 | R18 D22 | R18-A20 VanDerWaalsContact C-N 3.34Å; R18-A20 PolarHBondContact O-N 3.35Å; A20-D22 VanDerWaalsContact C-N 3.33Å; A20-D22 WeakPolarHBondContact O-CA 3.4Å; A20-D22 PolarHBondContact O-N 3.16Å | ||
| 21 | A | 40.6 | Very low | 63.6 | Low | 94 Ų | 94 | 91.2 Ų | 91.2 | 78% | 0.777 | 52% | 0.518 | S | S | * | . | trans | -53.6 | 109.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 104.8 | A19 S23 | A19-A21 PolarHBondContact O-N 3.38Å; A21-S23 VanDerWaalsContact C-N 3.27Å; A21-S23 PolarHBondContact O-N 3.12Å | ||
| 22 | D | 53.5 | Low | 65.3 | Low | 69 Ų | 69 | 88.4 Ų | 88.4 | 37% | 0.369 | 52% | 0.518 | S | S | . | . | trans | -67.7 | 90 | -161.6 | -166.6 | 20.1 | 0 | 0 | 0 | 107.4 | A20 I24 R123 | A20-D22 VanDerWaalsContact C-N 3.33Å; A20-D22 WeakPolarHBondContact O-CA 3.4Å; A20-D22 PolarHBondContact O-N 3.16Å; D22-I24 PolarHBondContact O-N 2.87Å; D22-I24 VanDerWaalsContact O-N 3.14Å; D22-R123 IonicContact OD1-CZ 2.86Å; D22-R123 IonicContact OD1-NH1 3.8Å; D22-R123 PolarHBondContact OD1-NH1 3.17Å | ||
| 23 | S | 69.7 | Low | 67.4 | Low | 77 Ų | 77 | 85.1 Ų | 85.1 | 54% | 0.538 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 116.1 | -175.6 | 54.9 | 0 | 0 | 0 | 0 | 107.3 | A21 Q25 R123 | A21-S23 VanDerWaalsContact C-N 3.27Å; A21-S23 PolarHBondContact O-N 3.12Å; S23-Q25 PolarHBondContact O-N 3.14Å; S23-Q25 VanDerWaalsContact O-N 3.09Å; S23-R123 PolarHBondContact O-NH1 2.74Å; S23-R123 PolarHBondContact O-NH2 2.81Å |
| 24 | I | 85 | Confident | 69.6 | Low | 77 Ų | 77 | 78.1 Ų | 78.1 | 40% | 0.395 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 119 | 174.7 | -60.4 | 173.5 | 0 | 0 | 0 | 107.3 | D22 V124 D126 | D22-I24 PolarHBondContact O-N 2.87Å; D22-I24 VanDerWaalsContact O-N 3.14Å; I24-V124 HydrophobicContact CG1-CB 4.38Å; I24-V124 HydrophobicContact CG1-CG1 4.24Å; I24-V124 HydrophobicContact CG2-CG1 4.37Å; I24-D126 HydrophobicContact CG2-CB 4.04Å |
| 25 | Q | 89.1 | Confident | 72.1 | Confident | 90 Ų | 90 | 73.7 Ų | 73.7 | 42% | 0.421 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 135 | 179.6 | -95.5 | 171 | 21.9 | 0 | 0 | 110.2 | S23 R123 V124 Y125 D126 | S23-Q25 PolarHBondContact O-N 3.14Å; S23-Q25 VanDerWaalsContact O-N 3.09Å; Q25-R123 VanDerWaalsContact CB-NH2 3.34Å; Q25-V124 PolarHBondContact N-O 2.81Å; Q25-Y125 HydrophobicContact CB-CD1 3.83Å; Q25-Y125 HydrophobicContact CB-CE1 4.01Å; Q25-Y125 CarbonylContact O-C 3.59Å; Q25-Y125 VanDerWaalsContact O-CA 3.25Å; Q25-Y125 WeakPolarHBondContact O-CA 3.18Å; Q25-D126 PolarHBondContact O-N 2.76Å |
| 26 | I | 90.5 | Very high | 74.6 | Confident | 72 Ų | 72 | 75.5 Ų | 75.5 | 37% | 0.369 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 127.7 | 173.9 | -57.7 | 172.7 | 0 | 0 | 0 | 108.5 | Y28 D126 Q210 | I26-Y28 HydrophobicContact CG2-CD2 4.37Å; I26-Y28 HydrophobicContact CG2-CE1 4.24Å; I26-Y28 HydrophobicContact CG2-CE2 3.88Å; I26-D126 VanDerWaalsContact CA-O 3.3Å; I26-D126 WeakPolarHBondContact CA-O 3.18Å; I26-D126 HydrophobicContact CG1-CB 4.37Å; I26-Q210 PolarHBondContact O-NE2 2.98Å |
| 27 | I | 93.8 | Very high | 77.4 | Confident | 26 Ų | 26 | 70.5 Ų | 70.5 | 13% | 0.133 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 126.8 | 173 | -69.7 | 178.7 | 0 | 0 | 0 | 108.8 | L37 Y125 D126 V127 S128 | I27-L37 HydrophobicContact CB-CD2 4.23Å; I27-L37 HydrophobicContact CD1-CD2 3.47Å; I27-L37 VanDerWaalsContact CD1-CD2 3.47Å; I27-L37 HydrophobicContact CG1-CD2 4.42Å; I27-L37 HydrophobicContact CG2-CD2 3.95Å; I27-Y125 HydrophobicContact CD1-CD1 3.29Å; I27-Y125 HydrophobicContact CD1-CD2 4.48Å; I27-Y125 HydrophobicContact CD1-CE1 3.55Å; I27-Y125 HydrophobicContact CD1-CG 3.79Å; I27-Y125 HydrophobicContact CG1-CD1 3.86Å; I27-Y125 HydrophobicContact CG1-CE1 4.36Å; I27-D126 PolarHBondContact N-O 3.19Å; I27-V127 HydrophobicContact CB-CG2 4.46Å; I27-V127 WeakPolarHBondContact O-CA 3.42Å; I27-S128 PolarHBondContact O-N 2.87Å |
| 28 | Y | 93.8 | Very high | 80 | Confident | 25 Ų | 25 | 67.5 Ų | 67.5 | 10% | 0.098 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 106.8 | 173.7 | -67.6 | -74.2 | 0 | 0 | 0 | 110.4 | I26 S128 L130 V152 L158 P209 Q210 K212 | I26-Y28 HydrophobicContact CG2-CD2 4.37Å; I26-Y28 HydrophobicContact CG2-CE1 4.24Å; I26-Y28 HydrophobicContact CG2-CE2 3.88Å; Y28-S128 WeakPolarHBondContact CA-O 3.28Å; Y28-L130 HydrophobicContact CD1-CD1 4.27Å; Y28-L130 HydrophobicContact CD1-CD2 3.64Å; Y28-L130 HydrophobicContact CD1-CG 3.99Å; Y28-L130 HydrophobicContact CE1-CD2 4.31Å; Y28-L130 HydrophobicContact CG-CD1 4.22Å; Y28-L130 HydrophobicContact CG-CD2 4.4Å; Y28-L130 HydrophobicContact CG-CG 4.36Å; Y28-V152 HydrophobicContact CD1-CG2 4.33Å; Y28-V152 HydrophobicContact CE1-CG2 4.15Å; Y28-L158 HydrophobicContact CE1-CD2 4.42Å; Y28-P209 HydrophobicContact CD2-CB 3.94Å; Y28-P209 HydrophobicContact CE2-CB 3.53Å; Y28-P209 HydrophobicContact CE2-CG 4.29Å; Y28-Q210 HydrophobicContact CD2-CB 4.44Å; Y28-Q210 HydrophobicContact CD2-CG 3.87Å; Y28-Q210 HydrophobicContact CE2-CG 4.41Å; Y28-K212 WeakPolarHBondContact O-CE 3.07Å |
| 29 | A | 95.7 | Very high | 82.5 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.008 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 130.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | A35 P100 V127 S128 V129 L130 | A29-A35 HydrophobicContact CB-CB 3.69Å; A29-P100 HydrophobicContact CB-CB 4.03Å; A29-P100 HydrophobicContact CB-CG 3.83Å; A29-V127 HydrophobicContact CB-CG1 4.24Å; A29-S128 PolarHBondContact N-O 3.21Å; A29-V129 CarbonylContact O-C 3.54Å; A29-V129 WeakPolarHBondContact O-CA 3.5Å; A29-L130 PolarHBondContact O-N 3.22Å |
| 30 | I | 95.8 | Very high | 84.3 | Confident | 13 Ų | 13 | 55.1 Ų | 55.1 | 7% | 0.067 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 129.8 | 176.7 | -71.2 | 172.5 | 0 | 0 | 0 | 108.4 | G32 E33 K212 F214 | I30-G32 PolarHBondContact O-N 3.18Å; I30-E33 HydrophobicContact CB-CB 4.01Å; I30-E33 HydrophobicContact CB-CG 4.22Å; I30-E33 WeakPolarHBondContact CD1-OE2 3.38Å; I30-E33 HydrophobicContact CG2-CB 3.99Å; I30-E33 HydrophobicContact CG2-CG 3.7Å; I30-E33 PolarHBondContact O-N 2.9Å; I30-E33 VanDerWaalsContact O-O 3.11Å; I30-K212 HydrophobicContact CD1-CB 4.1Å; I30-K212 HydrophobicContact CD1-CD 3.87Å; I30-K212 HydrophobicContact CD1-CG 4.44Å; I30-K212 HydrophobicContact CG1-CB 4.29Å; I30-K212 HydrophobicContact CG1-CD 4.18Å; I30-K212 HydrophobicContact CG1-CG 4.48Å; I30-F214 HydrophobicContact CB-CZ 4.35Å; I30-F214 HydrophobicContact CG1-CE2 4.43Å; I30-F214 HydrophobicContact CG1-CZ 4.15Å; I30-F214 HydrophobicContact CG2-CE1 3.82Å; I30-F214 HydrophobicContact CG2-CZ 3.69Å |
| 31 | S | 96 | Very high | 85.7 | Confident | 43 Ų | 43 | 54.3 Ų | 54.3 | 30% | 0.301 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 124.6 | 177.6 | -174.4 | 0 | 0 | 0 | 0 | 110.4 | E33 P100 L130 K131 | S31-E33 VanDerWaalsContact C-N 3.31Å; S31-E33 PolarHBondContact O-N 3.01Å; S31-P100 VanDerWaalsContact CA-O 3.31Å; S31-P100 WeakPolarHBondContact CA-O 3.42Å; S31-P100 PolarHBondContact OG-O 3.16Å; S31-L130 VanDerWaalsContact CB-O 3.28Å; S31-L130 WeakPolarHBondContact CB-O 3.42Å; S31-L130 PolarHBondContact N-O 2.8Å; S31-K131 WeakPolarHBondContact OG-CE 3.45Å |
| 32 | G | 93.4 | Very high | 86.7 | Confident | 59 Ų | 59 | 51.8 Ų | 51.8 | 61% | 0.608 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.4 | -10.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116 | I30 P100 | I30-G32 PolarHBondContact O-N 3.18Å; G32-P100 PolarHBondContact N-O 3.48Å; G32-P100 VanDerWaalsContact N-O 3.14Å |
| 33 | E | 94.7 | Very high | 86.9 | Confident | 111 Ų | 111 | 55.4 Ų | 55.4 | 52% | 0.519 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -105.8 | 134.6 | 174.7 | -64.8 | -176.3 | -178.1 | 0 | 0 | 111 | I30 S31 A35 P100 | I30-E33 HydrophobicContact CB-CB 4.01Å; I30-E33 HydrophobicContact CB-CG 4.22Å; I30-E33 WeakPolarHBondContact CD1-OE2 3.38Å; I30-E33 HydrophobicContact CG2-CB 3.99Å; I30-E33 HydrophobicContact CG2-CG 3.7Å; I30-E33 PolarHBondContact O-N 2.9Å; I30-E33 VanDerWaalsContact O-O 3.11Å; S31-E33 VanDerWaalsContact C-N 3.31Å; S31-E33 PolarHBondContact O-N 3.01Å; E33-A35 PolarHBondContact O-N 3.37Å; E33-P100 WeakPolarHBondContact O-CD 3.25Å; E33-P100 WeakPolarHBondContact O-CG 3.42Å |
| 34 | S | 95.3 | Very high | 86.5 | Confident | 75 Ų | 75 | 56 Ų | 56 | 52% | 0.524 | 34% | 0.341 | S | S | . | . | trans | -59.5 | 138.7 | -178.2 | -55.4 | 0 | 0 | 0 | 0 | 112.7 | L97 | S34-L97 CarbonylContact C-O 3.53Å; S34-L97 VanDerWaalsContact CA-O 3.26Å; S34-L97 WeakPolarHBondContact CA-O 3.47Å | ||
| 35 | A | 95.2 | Very high | 85.5 | Confident | 13 Ų | 13 | 54 Ų | 54 | 11% | 0.107 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 137.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | A29 E33 L97 P100 | A29-A35 HydrophobicContact CB-CB 3.69Å; E33-A35 PolarHBondContact O-N 3.37Å; A35-L97 PolarHBondContact N-O 3.3Å; A35-L97 PolarHBondContact O-N 3Å; A35-P100 HydrophobicContact CB-CG 4.22Å |
| 36 | E | 95.3 | Very high | 84.3 | Confident | 89 Ų | 89 | 54.2 Ų | 54.2 | 42% | 0.416 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 132.2 | 177 | -173.1 | -179 | 158.8 | 0 | 0 | 110.3 | L90 N92 S94 L95 L96 | E36-L90 HydrophobicContact CG-CD1 4.12Å; E36-N92 PolarHBondContact OE1-ND2 2.92Å; E36-S94 WeakPolarHBondContact OE1-CB 3.48Å; E36-S94 PolarHBondContact OE1-OG 3.03Å; E36-L95 CarbonylContact C-O 3.53Å; E36-L95 WeakPolarHBondContact CA-O 3.41Å; E36-L96 HydrophobicContact CB-CD1 4.5Å |
| 37 | L | 95.2 | Very high | 83 | Confident | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.021 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 108.1 | 170.2 | -49.3 | -178.9 | 0 | 0 | 0 | 108 | I27 C39 W53 S94 L95 Y108 Y125 V127 | I27-L37 HydrophobicContact CB-CD2 4.23Å; I27-L37 HydrophobicContact CD1-CD2 3.47Å; I27-L37 VanDerWaalsContact CD1-CD2 3.47Å; I27-L37 HydrophobicContact CG1-CD2 4.42Å; I27-L37 HydrophobicContact CG2-CD2 3.95Å; L37-C39 PolarHBondContact O-N 2.83Å; L37-W53 HydrophobicContact CB-CH2 3.65Å; L37-W53 HydrophobicContact CB-CZ2 4.33Å; L37-W53 HydrophobicContact CB-CZ3 4.16Å; L37-W53 HydrophobicContact CD1-CZ3 4.22Å; L37-W53 WeakPolarHBondContact O-CZ2 3.08Å; L37-S94 WeakPolarHBondContact O-CA 3.42Å; L37-S94 WeakPolarHBondContact O-CB 3.14Å; L37-L95 HydrophobicContact CB-CB 4.32Å; L37-L95 HydrophobicContact CD1-CD2 4.12Å; L37-L95 PolarHBondContact N-O 3.46Å; L37-L95 PolarHBondContact O-N 3.02Å; L37-Y108 HydrophobicContact CD1-CD1 3.76Å; L37-Y108 HydrophobicContact CD1-CD2 4.27Å; L37-Y108 HydrophobicContact CD1-CE1 4.4Å; L37-Y108 HydrophobicContact CD1-CG 3.67Å; L37-Y125 HydrophobicContact CB-CD2 4.16Å; L37-Y125 HydrophobicContact CB-CE2 4.25Å; L37-V127 HydrophobicContact CD1-CG2 3.97Å; L37-V127 HydrophobicContact CD2-CG2 3.63Å; L37-V127 HydrophobicContact CG-CG2 4.49Å |
| 38 | P | 93.1 | Very high | 81.7 | Confident | 58 Ų | 58 | 54.5 Ų | 54.5 | 38% | 0.377 | 36% | 0.362 | S | S | . | . | trans | -69.4 | 134.8 | -175.8 | 13.1 | -14.1 | 0 | 0 | 0 | 111.7 | P40 S94 Y125 | P38-P40 WeakPolarHBondContact O-CD 3.13Å; P38-S94 WeakPolarHBondContact CA-OG 3.29Å; P38-Y125 WeakPolarHBondContact CD-OH 3.18Å; P38-Y125 VanDerWaalsContact CG-OH 3.24Å; P38-Y125 WeakPolarHBondContact CG-OH 3.5Å; P38-Y125 WeakPolarHBondContact O-CE2 3.35Å; P38-Y125 VanDerWaalsContact O-CZ 3.23Å; P38-Y125 PolarHBondContact O-OH 3.13Å | ||
| 39 | C | 88.6 | Confident | 81 | Confident | 7 Ų | 7 | 54.5 Ų | 54.5 | 5% | 0.047 | 36% | 0.363 | C | S | . | . | trans | -103.6 | 105.6 | 165.3 | -169 | 0 | 0 | 0 | 0 | 108.7 | L37 S41 W53 Y93 C110 | L37-C39 PolarHBondContact O-N 2.83Å; C39-S41 PolarHBondContact O-N 2.74Å; C39-S41 VanDerWaalsContact O-N 3.16Å; C39-W53 HydrophobicContact CB-CZ2 3.74Å; C39-Y93 WeakPolarHBondContact CB-O 3.43Å; C39-C110 HydrophobicContact CB-CB 3.83Å; C39-C110 WeakPolarHBondContact CB-SG 3.28Å; C39-C110 WeakPolarHBondContact SG-CB 3.33Å; C39-C110 CovalentContact SG-SG 2.06Å; C39-C110 PolarHBondContact SG-SG 2.85Å | ||
| 40 | P | 77.9 | Confident | 80.3 | Confident | 65 Ų | 65 | 55.3 Ų | 55.3 | 42% | 0.422 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 117.3 | 175.9 | 27 | -31.7 | 0 | 0 | 0 | 108.8 | P38 R123 | P38-P40 WeakPolarHBondContact O-CD 3.13Å; P40-R123 HydrophobicContact CG-CB 4.05Å; P40-R123 HydrophobicContact CG-CG 4.26Å |
| 41 | S | 67.2 | Low | 79.9 | Confident | 73 Ų | 73 | 54.7 Ų | 54.7 | 51% | 0.51 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 139.3 | 173 | 50.2 | 0 | 0 | 0 | 0 | 110.3 | C39 | C39-S41 PolarHBondContact O-N 2.74Å; C39-S41 VanDerWaalsContact O-N 3.16Å |
| 42 | P | 61.1 | Low | 79.5 | Confident | 40 Ų | 40 | 52.7 Ų | 52.7 | 26% | 0.26 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 156.2 | 167.1 | 33.8 | -37.8 | 0 | 0 | 0 | 108 | S44 L45 W122 | P42-S44 PolarHBondContact O-N 2.83Å; P42-L45 HydrophobicContact CG-CD2 4.5Å; P42-L45 HydrophobicContact CG-CG 3.95Å; P42-W122 HydrophobicContact CB-CZ2 4.3Å; P42-W122 HydrophobicContact CG-CD2 4.5Å; P42-W122 HydrophobicContact CG-CH2 3.37Å; P42-W122 HydrophobicContact CG-CZ2 3.19Å; P42-W122 HydrophobicContact CG-CZ3 4.11Å |
| 43 | P | 59.5 | Low | 79.5 | Confident | 146 Ų | 146 | 49.9 Ų | 49.9 | 95% | 0.948 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -16.9 | -178.7 | -23.8 | 33 | 0 | 0 | 0 | 114.9 | ||
| 44 | S | 59.5 | Low | 79.3 | Confident | 88 Ų | 88 | 46.4 Ų | 46.4 | 62% | 0.615 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.6 | 60.7 | -173.5 | 62.5 | 0 | 0 | 0 | 0 | 111.7 | P42 L46 | P42-S44 PolarHBondContact O-N 2.83Å; S44-L46 PolarHBondContact O-N 2.67Å |
| 45 | L | 64.2 | Low | 79.3 | Confident | 36 Ų | 36 | 43.6 Ų | 43.6 | 19% | 0.188 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 118.4 | 160.6 | -95.6 | 171.2 | 0 | 0 | 0 | 108.4 | P42 Q49 V71 Y93 V112 W122 | P42-L45 HydrophobicContact CG-CD2 4.5Å; P42-L45 HydrophobicContact CG-CG 3.95Å; L45-Q49 VanDerWaalsContact CD2-OE1 3.23Å; L45-V71 HydrophobicContact CB-CG1 4.18Å; L45-V71 HydrophobicContact CD1-CG1 4.31Å; L45-V71 HydrophobicContact CD2-CG1 4.22Å; L45-V71 HydrophobicContact CD2-CG2 3.94Å; L45-V71 HydrophobicContact CG-CG1 4.47Å; L45-Y93 HydrophobicContact CD1-CD2 4.1Å; L45-Y93 HydrophobicContact CD1-CE2 3.65Å; L45-V112 HydrophobicContact CD2-CG1 4.17Å; L45-V112 HydrophobicContact CD2-CG2 4.38Å; L45-W122 HydrophobicContact CD1-CH2 3.9Å; L45-W122 HydrophobicContact CD1-CZ3 4.24Å; L45-W122 HydrophobicContact CD2-CH2 3.48Å; L45-W122 VanDerWaalsContact CD2-CH2 3.48Å; L45-W122 HydrophobicContact CD2-CZ2 4.12Å; L45-W122 HydrophobicContact CG-CH2 3.71Å |
| 46 | L | 65.5 | Low | 79.2 | Confident | 94 Ų | 94 | 44.8 Ų | 44.8 | 49% | 0.492 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -90.9 | 136.6 | 175.2 | -60 | 170 | 0 | 0 | 0 | 108.6 | S44 Q49 | S44-L46 PolarHBondContact O-N 2.67Å; L46-Q49 WeakPolarHBondContact O-CB 3Å; L46-Q49 VanDerWaalsContact O-CG 3.24Å; L46-Q49 WeakPolarHBondContact O-CG 3.44Å; L46-Q49 PolarHBondContact O-N 2.73Å |
| 47 | G | 62.9 | Low | 79.1 | Confident | 46 Ų | 46 | 41.3 Ų | 41.3 | 47% | 0.474 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | 141.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q49 D72 | G47-Q49 VanDerWaalsContact C-N 3.35Å; G47-D72 WeakPolarHBondContact CA-OD2 3.44Å; G47-D72 PolarHBondContact N-OD2 2.97Å |
| 48 | G | 66 | Low | 78.8 | Confident | 59 Ų | 59 | 43.9 Ų | 43.9 | 61% | 0.608 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | -1.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | V71 | G48-V71 PolarHBondContact N-O 3.2Š|
| 49 | Q | 78.3 | Confident | 78.3 | Confident | 24 Ų | 24 | 44.8 Ų | 44.8 | 11% | 0.112 | 32% | 0.317 | C | S | . | . | trans | -66.7 | 153.1 | 166.9 | -73.3 | 177.3 | 13.4 | 0 | 0 | 111.1 | L45 L46 G47 V71 V112 | L45-Q49 VanDerWaalsContact CD2-OE1 3.23Å; L46-Q49 WeakPolarHBondContact O-CB 3Å; L46-Q49 VanDerWaalsContact O-CG 3.24Å; L46-Q49 WeakPolarHBondContact O-CG 3.44Å; L46-Q49 PolarHBondContact O-N 2.73Å; G47-Q49 VanDerWaalsContact C-N 3.35Å; Q49-V71 HydrophobicContact CB-CG2 4.25Å; Q49-V71 WeakPolarHBondContact O-CB 3.35Å; Q49-V71 WeakPolarHBondContact O-CG2 3.4Å; Q49-V71 PolarHBondContact O-N 3.49Å; Q49-V112 HydrophobicContact CB-CG1 3.81Å; Q49-V112 HydrophobicContact CG-CG1 4.33Å; Q49-V112 VanDerWaalsContact OE1-CG1 3.3Å | ||
| 50 | L | 81.8 | Confident | 77.8 | Confident | 18 Ų | 18 | 47.9 Ų | 47.9 | 9% | 0.094 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 119.8 | -179 | -174.6 | 82.7 | 0 | 0 | 0 | 109.8 | Q68 I69 Q70 L78 V112 M113 | L50-Q68 HydrophobicContact CD1-CG 3.56Å; L50-Q68 VanDerWaalsContact CD1-NE2 3.3Å; L50-Q68 HydrophobicContact CD2-CG 3.84Å; L50-Q68 HydrophobicContact CG-CG 3.79Å; L50-I69 WeakPolarHBondContact CD1-O 3.37Å; L50-Q70 HydrophobicContact CD1-CG 4.06Å; L50-L78 HydrophobicContact CD1-CD2 3.83Å; L50-V112 WeakPolarHBondContact O-CA 3.45Å; L50-M113 HydrophobicContact CB-CB 4.33Å; L50-M113 HydrophobicContact CB-CE 4.19Å; L50-M113 HydrophobicContact CD2-CE 3.86Å; L50-M113 PolarHBondContact O-N 2.95Å |
| 51 | L | 86.7 | Confident | 78.1 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 128.6 | 173.6 | -176.3 | 147.1 | 0 | 0 | 0 | 109.9 | Q68 I69 V71 Y93 T111 V112 W122 | L51-Q68 CarbonylContact O-C 3.45Å; L51-Q68 WeakPolarHBondContact O-CA 3.49Å; L51-I69 HydrophobicContact CB-CG1 4.07Å; L51-I69 HydrophobicContact CD2-CD1 4.29Å; L51-I69 HydrophobicContact CD2-CG1 4.08Å; L51-I69 PolarHBondContact N-O 2.06Å; L51-I69 PolarHBondContact O-N 2.87Å; L51-V71 HydrophobicContact CB-CG2 4.29Å; L51-Y93 HydrophobicContact CD1-CD2 4.39Å; L51-Y93 HydrophobicContact CD1-CG 3.94Å; L51-T111 WeakPolarHBondContact CA-O 3.28Å; L51-V112 HydrophobicContact CB-CG2 3.94Å; L51-V112 HydrophobicContact CD1-CG2 3.87Å; L51-V112 HydrophobicContact CG-CG2 3.98Å; L51-W122 HydrophobicContact CD1-CZ3 4.25Å |
| 52 | S | 88.4 | Confident | 79 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.007 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 137.7 | -178.9 | -62.8 | 0 | 0 | 0 | 0 | 110.9 | A67 T111 | S52-A67 CarbonylContact C-O 3.49Å; S52-A67 WeakPolarHBondContact CA-O 3.32Å; S52-T111 PolarHBondContact N-O 2.8Å; S52-T111 PolarHBondContact O-N 2.85Å |
| 53 | W | 92.4 | Very high | 80.5 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 131.1 | 169.9 | -86.1 | 99.2 | 0 | 0 | 0 | 109.7 | L37 C39 V66 A67 Y93 L95 W109 C110 Y125 | L37-W53 HydrophobicContact CB-CH2 3.65Å; L37-W53 HydrophobicContact CB-CZ2 4.33Å; L37-W53 HydrophobicContact CB-CZ3 4.16Å; L37-W53 HydrophobicContact CD1-CZ3 4.22Å; L37-W53 WeakPolarHBondContact O-CZ2 3.08Å; C39-W53 HydrophobicContact CB-CZ2 3.74Å; W53-V66 HydrophobicContact CB-CB 4.22Å; W53-V66 PolarHBondContact O-N 3.05Å; W53-A67 HydrophobicContact CB-CB 4.33Å; W53-A67 PolarHBondContact N-O 3.17Å; W53-A67 PolarHBondContact O-N 2.76Å; W53-Y93 PolarHBondContact NE1-O 2.96Å; W53-L95 HydrophobicContact CB-CD2 4.41Å; W53-L95 HydrophobicContact CD2-CB 3.78Å; W53-L95 HydrophobicContact CD2-CD2 4.08Å; W53-L95 HydrophobicContact CD2-CG 4.44Å; W53-L95 HydrophobicContact CE3-CB 4.27Å; W53-L95 HydrophobicContact CE3-CD2 4.09Å; W53-L95 HydrophobicContact CG-CB 4.15Å; W53-L95 HydrophobicContact CG-CD1 4.39Å; W53-L95 HydrophobicContact CG-CD2 4.25Å; W53-L95 HydrophobicContact CH2-CB 4.25Å; W53-L95 HydrophobicContact CZ2-CB 3.76Å; W53-L95 HydrophobicContact CZ3-CB 4.5Å; W53-W109 VanDerWaalsContact CE3-C 3.46Å; W53-C110 HydrophobicContact CD2-CB 3.78Å; W53-C110 HydrophobicContact CE3-CB 4.02Å; W53-C110 HydrophobicContact CG-CB 4.45Å; W53-C110 HydrophobicContact CH2-CB 3.94Å; W53-C110 HydrophobicContact CZ2-CB 3.69Å; W53-C110 HydrophobicContact CZ3-CB 4.09Å; W53-Y125 HydrophobicContact CH2-CD2 4.11Å; W53-Y125 AromaticContact CH2-CE2 3.94Å; W53-Y125 HydrophobicContact CH2-CE2 3.94Å; W53-Y125 HydrophobicContact CZ3-CD2 4.23Å; W53-Y125 HydrophobicContact CZ3-CE2 4.49Å |
| 54 | F | 92.2 | Very high | 81.9 | Confident | 38 Ų | 38 | 47.3 Ų | 47.3 | 17% | 0.167 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 155.1 | 177.2 | -68.2 | -84 | 0 | 0 | 0 | 111 | T63 I64 L65 Y108 W109 T111 | F54-T63 HydrophobicContact CB-CG2 3.96Å; F54-T63 HydrophobicContact CD1-CG2 3.83Å; F54-T63 HydrophobicContact CG-CG2 4.26Å; F54-I64 CarbonylContact C-O 3.59Å; F54-I64 VanDerWaalsContact CA-O 3.28Å; F54-I64 WeakPolarHBondContact CA-O 3.37Å; F54-L65 HydrophobicContact CD1-CB 4.14Å; F54-L65 HydrophobicContact CD1-CD1 4.01Å; F54-L65 HydrophobicContact CE1-CB 3.9Å; F54-L65 HydrophobicContact CE1-CD1 3.56Å; F54-L65 HydrophobicContact CE1-CG 4.29Å; F54-L65 HydrophobicContact CE2-CD1 4.19Å; F54-L65 HydrophobicContact CZ-CD1 3.66Å; F54-Y108 VanDerWaalsContact O-CA 3.29Å; F54-Y108 WeakPolarHBondContact O-CA 3.32Å; F54-W109 HydrophobicContact CB-CD2 3.85Å; F54-W109 HydrophobicContact CB-CE3 4.43Å; F54-W109 HydrophobicContact CB-CG 4.33Å; F54-W109 HydrophobicContact CB-CH2 4.14Å; F54-W109 HydrophobicContact CB-CZ2 3.5Å; F54-W109 VanDerWaalsContact CB-CZ2 3.5Å; F54-W109 AromaticContact CD2-NE1 3.63Å; F54-W109 HydrophobicContact CG-CZ2 4.22Å; F54-W109 AromaticContact CG-NE1 3.79Å; F54-W109 PolarHBondContact N-O 3.27Å; F54-W109 PolarHBondContact O-N 3.24Å; F54-T111 HydrophobicContact CD2-CG2 3.69Å; F54-T111 HydrophobicContact CE2-CG2 3.39Å |
| 55 | R | 93.7 | Very high | 83.4 | Confident | 15 Ų | 15 | 45.3 Ų | 45.3 | 6% | 0.057 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 132.9 | 177 | 173.4 | -170.3 | 167.7 | -165.9 | -13.2 | 110.4 | T63 I64 V66 E103 D104 R107 Y108 | R55-T63 CarbonylContact O-C 3.56Å; R55-T63 WeakPolarHBondContact O-CA 3.25Å; R55-I64 PolarHBondContact N-O 3Å; R55-I64 PolarHBondContact O-N 3.46Å; R55-V66 HydrophobicContact CB-CG2 3.49Å; R55-V66 VanDerWaalsContact CB-CG2 3.49Å; R55-E103 PolarHBondContact NH2-O 3.14Å; R55-D104 IonicContact CZ-OD1 3.45Å; R55-D104 IonicContact NH1-OD1 2.73Å; R55-D104 PolarHBondContact NH1-OD1 2.78Å; R55-D104 VanDerWaalsContact NH2-CA 3.32Å; R55-D104 IonicContact NH2-OD1 2.72Å; R55-R107 CarbonylContact C-O 3.51Å; R55-R107 VanDerWaalsContact CA-O 3.28Å; R55-R107 WeakPolarHBondContact CA-O 3.37Å; R55-Y108 HydrophobicContact CB-CD1 3.91Å; R55-Y108 HydrophobicContact CB-CE1 3.74Å; R55-Y108 HydrophobicContact CB-CG 4.47Å; R55-Y108 VanDerWaalsContact CD-CZ 3.47Å; R55-Y108 VanDerWaalsContact CD-OH 3.23Å; R55-Y108 WeakPolarHBondContact CD-OH 3.23Å; R55-Y108 HydrophobicContact CG-CD1 4.21Å; R55-Y108 HydrophobicContact CG-CD2 4.43Å; R55-Y108 HydrophobicContact CG-CE1 3.72Å; R55-Y108 HydrophobicContact CG-CE2 3.96Å; R55-Y108 PolarHBondContact NE-OH 2.86Å |
| 56 | S | 93.9 | Very high | 84.6 | Confident | 39 Ų | 39 | 43.8 Ų | 43.8 | 27% | 0.273 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 112.6 | 163.5 | 177.5 | 0 | 0 | 0 | 0 | 108.4 | G106 R107 | S56-G106 CarbonylContact O-C 3.53Å; S56-G106 VanDerWaalsContact O-CA 3.28Å; S56-G106 WeakPolarHBondContact O-CA 3.29Å; S56-R107 PolarHBondContact N-O 2.99Å; S56-R107 PolarHBondContact O-N 2.83Å |
| 57 | P | 93.2 | Very high | 85.7 | Confident | 16 Ų | 16 | 39.9 Ų | 39.9 | 10% | 0.104 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 145.6 | 178.9 | -24.3 | 35.8 | 0 | 0 | 0 | 112.1 | G59 G60 I64 | P57-G59 PolarHBondContact O-N 2.82Å; P57-G59 VanDerWaalsContact O-N 3.14Å; P57-G60 PolarHBondContact O-N 3.28Å; P57-I64 HydrophobicContact CG-CD1 3.99Å |
| 58 | A | 89.8 | Confident | 86.8 | Confident | 57 Ų | 57 | 40.4 Ų | 40.4 | 47% | 0.471 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -24.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | G60 A105 P154 | A58-G60 PolarHBondContact O-N 3.02Å; A58-A105 PolarHBondContact N-O 3.39Å; A58-P154 HydrophobicContact CB-CB 4.05Å; A58-P154 HydrophobicContact CB-CG 3.94Å |
| 59 | G | 82.3 | Confident | 87.6 | Confident | 77 Ų | 77 | 38.4 Ų | 38.4 | 79% | 0.794 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | 8.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | P57 | P57-G59 PolarHBondContact O-N 2.82Å; P57-G59 VanDerWaalsContact O-N 3.14Å |
| 60 | G | 77.5 | Confident | 87.7 | Confident | 72 Ų | 72 | 40 Ų | 40 | 74% | 0.742 | 27% | 0.272 | S | S | * | . | S | Bend | trans | 79.9 | 16.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | P57 A58 | P57-G60 PolarHBondContact O-N 3.28Å; A58-G60 PolarHBondContact O-N 3.02Å |
| 61 | S | 83.3 | Confident | 87.4 | Confident | 73 Ų | 73 | 39.2 Ų | 39.2 | 51% | 0.51 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 164.2 | 174.7 | -49.6 | 0 | 0 | 0 | 0 | 112.4 | ||
| 62 | S | 87.6 | Confident | 86.6 | Confident | 102 Ų | 102 | 44.6 Ų | 44.6 | 71% | 0.713 | 30% | 0.297 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 150.3 | 174.8 | -58.8 | 0 | 0 | 0 | 0 | 112.6 | ||
| 63 | T | 91.1 | Very high | 85.5 | Confident | 77 Ų | 77 | 51.8 Ų | 51.8 | 47% | 0.472 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 134.4 | 172.4 | -60.6 | 0 | 0 | 0 | 0 | 111.2 | F54 R55 W109 | F54-T63 HydrophobicContact CB-CG2 3.96Å; F54-T63 HydrophobicContact CD1-CG2 3.83Å; F54-T63 HydrophobicContact CG-CG2 4.26Å; R55-T63 CarbonylContact O-C 3.56Å; R55-T63 WeakPolarHBondContact O-CA 3.25Å; T63-W109 HydrophobicContact CG2-CH2 3.48Å; T63-W109 VanDerWaalsContact CG2-CH2 3.48Å; T63-W109 HydrophobicContact CG2-CZ2 3.45Å; T63-W109 VanDerWaalsContact CG2-CZ2 3.45Å |
| 64 | I | 90 | Very high | 83.8 | Confident | 60 Ų | 60 | 56.4 Ų | 56.4 | 31% | 0.308 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 135.3 | -179.1 | -54.1 | 173.2 | 0 | 0 | 0 | 108.4 | F54 R55 P57 V66 | F54-I64 CarbonylContact C-O 3.59Å; F54-I64 VanDerWaalsContact CA-O 3.28Å; F54-I64 WeakPolarHBondContact CA-O 3.37Å; R55-I64 PolarHBondContact N-O 3Å; R55-I64 PolarHBondContact O-N 3.46Å; P57-I64 HydrophobicContact CG-CD1 3.99Å; I64-V66 PolarHBondContact O-N 3.02Å |
| 65 | L | 90.2 | Very high | 82.3 | Confident | 46 Ų | 46 | 58.7 Ų | 58.7 | 24% | 0.241 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 109.8 | 168.1 | 176.3 | 67.9 | 0 | 0 | 0 | 108.5 | F54 Q68 P81 | F54-L65 HydrophobicContact CD1-CB 4.14Å; F54-L65 HydrophobicContact CD1-CD1 4.01Å; F54-L65 HydrophobicContact CE1-CB 3.9Å; F54-L65 HydrophobicContact CE1-CD1 3.56Å; F54-L65 HydrophobicContact CE1-CG 4.29Å; F54-L65 HydrophobicContact CE2-CD1 4.19Å; F54-L65 HydrophobicContact CZ-CD1 3.66Å; L65-Q68 HydrophobicContact CD1-CB 4.37Å; L65-Q68 HydrophobicContact CD2-CB 4.4Å; L65-P81 HydrophobicContact CB-CB 4.31Å; L65-P81 HydrophobicContact CD2-CB 3.41Å; L65-P81 VanDerWaalsContact CD2-CB 3.41Å; L65-P81 HydrophobicContact CD2-CG 3.96Å; L65-P81 HydrophobicContact CG-CB 3.62Å; L65-P81 HydrophobicContact CG-CG 3.82Å |
| 66 | V | 90.4 | Very high | 80.3 | Confident | 4 Ų | 4 | 62.9 Ų | 62.9 | 2% | 0.024 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | -48.1 | -173.7 | 178.3 | 0 | 0 | 0 | 0 | 111.3 | W53 R55 I64 E82 F87 L95 Y108 | W53-V66 HydrophobicContact CB-CB 4.22Å; W53-V66 PolarHBondContact O-N 3.05Å; R55-V66 HydrophobicContact CB-CG2 3.49Å; R55-V66 VanDerWaalsContact CB-CG2 3.49Å; I64-V66 PolarHBondContact O-N 3.02Å; V66-E82 WeakPolarHBondContact CA-OE2 3.47Å; V66-F87 HydrophobicContact CG1-CB 3.62Å; V66-F87 HydrophobicContact CG1-CD1 3.44Å; V66-F87 VanDerWaalsContact CG1-CD1 3.44Å; V66-F87 HydrophobicContact CG1-CD2 3.9Å; V66-F87 HydrophobicContact CG1-CE1 4.02Å; V66-F87 HydrophobicContact CG1-CE2 4.46Å; V66-F87 HydrophobicContact CG1-CG 3.37Å; V66-L95 HydrophobicContact CG1-CD1 4.12Å; V66-L95 HydrophobicContact CG1-CD2 3.99Å; V66-Y108 HydrophobicContact CG2-CE1 4.47Å |
| 67 | A | 88 | Confident | 78 | Confident | 12 Ų | 12 | 66.4 Ų | 66.4 | 10% | 0.099 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 152.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | S52 W53 V89 L95 | S52-A67 CarbonylContact C-O 3.49Å; S52-A67 WeakPolarHBondContact CA-O 3.32Å; W53-A67 HydrophobicContact CB-CB 4.33Å; W53-A67 PolarHBondContact N-O 3.17Å; W53-A67 PolarHBondContact O-N 2.76Å; A67-V89 HydrophobicContact CB-CG2 3.32Å; A67-L95 HydrophobicContact CB-CD1 4.43Å |
| 68 | Q | 86.3 | Confident | 76 | Confident | 57 Ų | 57 | 68.7 Ų | 68.7 | 27% | 0.266 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 127.2 | 179.7 | 177.7 | 177.9 | -21.4 | 0 | 0 | 108.8 | L50 L51 L65 L78 P81 | L50-Q68 HydrophobicContact CD1-CG 3.56Å; L50-Q68 VanDerWaalsContact CD1-NE2 3.3Å; L50-Q68 HydrophobicContact CD2-CG 3.84Å; L50-Q68 HydrophobicContact CG-CG 3.79Å; L51-Q68 CarbonylContact O-C 3.45Å; L51-Q68 WeakPolarHBondContact O-CA 3.49Å; L65-Q68 HydrophobicContact CD1-CB 4.37Å; L65-Q68 HydrophobicContact CD2-CB 4.4Å; Q68-L78 HydrophobicContact CG-CD2 4.01Å; Q68-P81 HydrophobicContact CB-CG 4.16Å |
| 69 | I | 81.8 | Confident | 74.1 | Confident | 17 Ų | 17 | 69.3 Ų | 69.3 | 9% | 0.087 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 152.4 | -178.2 | 57.3 | 161.6 | 0 | 0 | 0 | 110.6 | L50 L51 V89 Y93 | L50-I69 WeakPolarHBondContact CD1-O 3.37Å; L51-I69 HydrophobicContact CB-CG1 4.07Å; L51-I69 HydrophobicContact CD2-CD1 4.29Å; L51-I69 HydrophobicContact CD2-CG1 4.08Å; L51-I69 PolarHBondContact N-O 2.06Å; L51-I69 PolarHBondContact O-N 2.87Å; I69-V89 HydrophobicContact CD1-CG1 3.65Å; I69-V89 HydrophobicContact CG1-CG1 4.4Å; I69-V89 HydrophobicContact CG2-CB 4.47Å; I69-Y93 HydrophobicContact CD1-CD1 3.48Å; I69-Y93 VanDerWaalsContact CD1-CD1 3.48Å; I69-Y93 HydrophobicContact CD1-CE1 3.99Å |
| 70 | Q | 80.4 | Confident | 72.9 | Confident | 57 Ų | 57 | 70.8 Ų | 70.8 | 27% | 0.266 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 128.9 | 167.5 | -74.9 | -178.3 | 3 | 0 | 0 | 109.5 | L50 R73 L78 | L50-Q70 HydrophobicContact CD1-CG 4.06Å; Q70-R73 HydrophobicContact CB-CB 4.25Å; Q70-R73 HydrophobicContact CB-CG 4.36Å; Q70-R73 PolarHBondContact O-N 2.87Å; Q70-L78 HydrophobicContact CB-CD1 4.46Å; Q70-L78 HydrophobicContact CG-CD1 3.7Å; Q70-L78 HydrophobicContact CG-CD2 4.3Å |
| 71 | V | 75.8 | Confident | 72 | Confident | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.012 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 138.2 | 173.3 | 179.9 | 0 | 0 | 0 | 0 | 108.5 | L45 G48 Q49 L51 R73 | L45-V71 HydrophobicContact CB-CG1 4.18Å; L45-V71 HydrophobicContact CD1-CG1 4.31Å; L45-V71 HydrophobicContact CD2-CG1 4.22Å; L45-V71 HydrophobicContact CD2-CG2 3.94Å; L45-V71 HydrophobicContact CG-CG1 4.47Å; G48-V71 PolarHBondContact N-O 3.2Å; Q49-V71 HydrophobicContact CB-CG2 4.25Å; Q49-V71 WeakPolarHBondContact O-CB 3.35Å; Q49-V71 WeakPolarHBondContact O-CG2 3.4Å; Q49-V71 PolarHBondContact O-N 3.49Å; L51-V71 HydrophobicContact CB-CG2 4.29Å; V71-R73 VanDerWaalsContact C-N 3.26Å; V71-R73 PolarHBondContact O-N 2.91Å |
| 72 | D | 70.5 | Confident | 71.1 | Confident | 115 Ų | 115 | 68 Ų | 68 | 62% | 0.615 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.7 | 9.5 | -176.9 | -52.8 | -31.5 | 0 | 0 | 0 | 116.8 | G47 | G47-D72 WeakPolarHBondContact CA-OD2 3.44Å; G47-D72 PolarHBondContact N-OD2 2.97Å |
| 73 | R | 65 | Low | 70.1 | Confident | 152 Ų | 152 | 70.1 Ų | 70.1 | 57% | 0.574 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -105.9 | 144.3 | 164 | -72.5 | -164.6 | -178.5 | -173.9 | -2.1 | 111.2 | Q70 V71 V75 | Q70-R73 HydrophobicContact CB-CB 4.25Å; Q70-R73 HydrophobicContact CB-CG 4.36Å; Q70-R73 PolarHBondContact O-N 2.87Å; V71-R73 VanDerWaalsContact C-N 3.26Å; V71-R73 PolarHBondContact O-N 2.91Å; R73-V75 PolarHBondContact O-N 2.91Å |
| 74 | P | 57.9 | Low | 69.4 | Low | 96 Ų | 96 | 68.5 Ų | 68.5 | 62% | 0.623 | 38% | 0.382 | S | S | * | . | trans | -57.9 | 140.8 | 171 | 23.4 | -30.3 | 0 | 0 | 0 | 109.7 | S76 D77 | P74-S76 PolarHBondContact O-N 2.88Å; P74-D77 PolarHBondContact O-N 2.7Å | ||
| 75 | V | 59.1 | Low | 69 | Low | 86 Ų | 86 | 69.5 Ų | 69.5 | 52% | 0.521 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -3.3 | -174.1 | -179 | 0 | 0 | 0 | 0 | 113.8 | R73 | R73-V75 PolarHBondContact O-N 2.91Š|
| 76 | S | 52.9 | Low | 69 | Low | 103 Ų | 103 | 68.6 Ų | 68.6 | 72% | 0.72 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -14.8 | -175.4 | -54.5 | 0 | 0 | 0 | 0 | 115.4 | P74 | P74-S76 PolarHBondContact O-N 2.88Š|
| 77 | D | 45.7 | Very low | 69.1 | Low | 114 Ų | 114 | 69 Ų | 69 | 61% | 0.61 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -128.1 | 78.8 | -175.6 | -74.4 | -31.1 | 0 | 0 | 0 | 112 | P74 | P74-D77 PolarHBondContact O-N 2.7Š|
| 78 | L | 51.4 | Low | 69.2 | Low | 64 Ų | 64 | 72.9 Ų | 72.9 | 34% | 0.335 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -165.3 | 133.8 | 150.3 | -124.9 | 85.7 | 0 | 0 | 0 | 109.5 | L50 Q68 Q70 K80 | L50-L78 HydrophobicContact CD1-CD2 3.83Å; Q68-L78 HydrophobicContact CG-CD2 4.01Å; Q70-L78 HydrophobicContact CB-CD1 4.46Å; Q70-L78 HydrophobicContact CG-CD1 3.7Å; Q70-L78 HydrophobicContact CG-CD2 4.3Å; L78-K80 PolarHBondContact O-N 2.86Å |
| 79 | G | 49.8 | Very low | 69.3 | Low | 70 Ų | 70 | 71 Ų | 71 | 72% | 0.722 | 40% | 0.396 | S | S | * | . | trans | -50.5 | 126.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | P81 | G79-P81 WeakPolarHBondContact O-CD 3.24Š| ||
| 80 | K | 56.7 | Low | 69.6 | Low | 107 Ų | 107 | 72.7 Ų | 72.7 | 47% | 0.465 | 40% | 0.404 | S | S | . | . | trans | -63.1 | 110.3 | -176.8 | -156.9 | -172.1 | 176.9 | -166.9 | 0 | 109.7 | L78 E82 N83 D84 S85 | L78-K80 PolarHBondContact O-N 2.86Å; K80-E82 WeakPolarHBondContact CD-O 3.36Å; K80-E82 WeakPolarHBondContact CE-O 3.19Å; K80-E82 VanDerWaalsContact CG-O 3.29Å; K80-E82 WeakPolarHBondContact CG-O 3.45Å; K80-N83 PolarHBondContact NZ-O 3.29Å; K80-D84 WeakPolarHBondContact CE-O 3.24Å; K80-D84 VanDerWaalsContact NZ-C 3.3Å; K80-D84 PolarHBondContact NZ-O 2.83Å; K80-S85 VanDerWaalsContact NZ-N 3.15Å | ||
| 81 | P | 58.4 | Low | 69.7 | Low | 55 Ų | 55 | 73.3 Ų | 73.3 | 36% | 0.357 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -76.8 | -26.1 | -173 | 28.2 | -30.7 | 0 | 0 | 0 | 112.8 | L65 Q68 G79 | L65-P81 HydrophobicContact CB-CB 4.31Å; L65-P81 HydrophobicContact CD2-CB 3.41Å; L65-P81 VanDerWaalsContact CD2-CB 3.41Å; L65-P81 HydrophobicContact CD2-CG 3.96Å; L65-P81 HydrophobicContact CG-CB 3.62Å; L65-P81 HydrophobicContact CG-CG 3.82Å; Q68-P81 HydrophobicContact CB-CG 4.16Å; G79-P81 WeakPolarHBondContact O-CD 3.24Å |
| 82 | E | 64.9 | Low | 70.1 | Confident | 32 Ų | 32 | 77.1 Ų | 77.1 | 15% | 0.15 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -115.9 | 123.5 | 169 | -168.6 | 169.5 | -178.4 | 0 | 0 | 109.5 | V66 K80 D84 | V66-E82 WeakPolarHBondContact CA-OE2 3.47Å; K80-E82 WeakPolarHBondContact CD-O 3.36Å; K80-E82 WeakPolarHBondContact CE-O 3.19Å; K80-E82 VanDerWaalsContact CG-O 3.29Å; K80-E82 WeakPolarHBondContact CG-O 3.45Å; E82-D84 HydrophobicContact CG-CB 4.02Å; E82-D84 PolarHBondContact O-N 2.75Å |
| 83 | N | 65.1 | Low | 70.9 | Confident | 147 Ų | 147 | 73.8 Ų | 73.8 | 79% | 0.786 | 43% | 0.426 | S | S | * | . | trans | -67.9 | -7.8 | -177.8 | -164.1 | 17.8 | 0 | 0 | 0 | 112.9 | K80 S85 | K80-N83 PolarHBondContact NZ-O 3.29Å; N83-S85 PolarHBondContact O-N 2.79Å; N83-S85 VanDerWaalsContact O-N 3.16Å | ||
| 84 | D | 77.8 | Confident | 72.2 | Confident | 43 Ų | 43 | 66.7 Ų | 66.7 | 23% | 0.23 | 40% | 0.399 | C | S | . | . | trans | -68 | 113.2 | 177.8 | -165.2 | -22 | 0 | 0 | 0 | 110.9 | K80 E82 R86 F87 | K80-D84 WeakPolarHBondContact CE-O 3.24Å; K80-D84 VanDerWaalsContact NZ-C 3.3Å; K80-D84 PolarHBondContact NZ-O 2.83Å; E82-D84 HydrophobicContact CG-CB 4.02Å; E82-D84 PolarHBondContact O-N 2.75Å; D84-R86 PolarHBondContact O-N 2.72Å; D84-R86 WeakPolarHBondContact OD1-CB 3.26Å; D84-R86 WeakPolarHBondContact OD1-CG 3.14Å; D84-R86 IonicContact OD1-CZ 3.85Å; D84-R86 PolarHBondContact OD1-N 2.83Å; D84-R86 IonicContact OD1-NE 2.68Å; D84-R86 PolarHBondContact OD1-NE 3.45Å; D84-R86 IonicContact OD2-CZ 3.93Å; D84-R86 IonicContact OD2-NE 3.05Å; D84-R86 PolarHBondContact OD2-NE 2.55Å; D84-R86 IonicContact OD2-NH2 3.18Å; D84-R86 PolarHBondContact OD2-NH2 3.45Å; D84-F87 HydrophobicContact CB-CD2 3.91Å; D84-F87 HydrophobicContact CB-CE2 4.14Å | ||
| 85 | S | 81.5 | Confident | 73.9 | Confident | 80 Ų | 80 | 62.1 Ų | 62.1 | 56% | 0.559 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -8.4 | -179.8 | 51.3 | 0 | 0 | 0 | 0 | 114.3 | K80 N83 F87 K88 | K80-S85 VanDerWaalsContact NZ-N 3.15Å; N83-S85 PolarHBondContact O-N 2.79Å; N83-S85 VanDerWaalsContact O-N 3.16Å; S85-F87 VanDerWaalsContact C-N 3.34Å; S85-K88 WeakPolarHBondContact O-CE 3.27Å |
| 86 | R | 90.6 | Very high | 75.6 | Confident | 28 Ų | 28 | 59.7 Ų | 59.7 | 11% | 0.106 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -23.7 | 179.1 | -62.4 | 179.2 | -52.1 | 117.6 | -0.2 | 113.2 | D84 L97 E98 G99 D104 | D84-R86 PolarHBondContact O-N 2.72Å; D84-R86 WeakPolarHBondContact OD1-CB 3.26Å; D84-R86 WeakPolarHBondContact OD1-CG 3.14Å; D84-R86 IonicContact OD1-CZ 3.85Å; D84-R86 PolarHBondContact OD1-N 2.83Å; D84-R86 IonicContact OD1-NE 2.68Å; D84-R86 PolarHBondContact OD1-NE 3.45Å; D84-R86 IonicContact OD2-CZ 3.93Å; D84-R86 IonicContact OD2-NE 3.05Å; D84-R86 PolarHBondContact OD2-NE 2.55Å; D84-R86 IonicContact OD2-NH2 3.18Å; D84-R86 PolarHBondContact OD2-NH2 3.45Å; R86-L97 HydrophobicContact CB-CD1 4.42Å; R86-E98 HydrophobicContact CB-CB 4.26Å; R86-E98 WeakPolarHBondContact CB-O 3.45Å; R86-E98 WeakPolarHBondContact CD-O 3.3Å; R86-E98 PolarHBondContact O-N 2.81Å; R86-G99 PolarHBondContact NH1-O 3.29Å; R86-G99 VanDerWaalsContact NH1-O 3.13Å; R86-D104 IonicContact CZ-OD1 3.96Å; R86-D104 IonicContact CZ-OD2 3.65Å; R86-D104 IonicContact NH1-OD1 2.69Å; R86-D104 IonicContact NH1-OD2 2.83Å; R86-D104 PolarHBondContact NH1-OD2 3.08Å; R86-D104 IonicContact NH2-OD1 2.88Å; R86-D104 PolarHBondContact NH2-OD1 3.1Å; R86-D104 IonicContact NH2-OD2 3.72Å; R86-D104 PolarHBondContact NH2-OD2 3.32Å |
| 87 | F | 90.9 | Very high | 77.6 | Confident | 13 Ų | 13 | 54.9 Ų | 54.9 | 6% | 0.057 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 120.2 | 174.3 | -63.6 | -74.7 | 0 | 0 | 0 | 110 | V66 D84 S85 L95 L97 Y108 | V66-F87 HydrophobicContact CG1-CB 3.62Å; V66-F87 HydrophobicContact CG1-CD1 3.44Å; V66-F87 VanDerWaalsContact CG1-CD1 3.44Å; V66-F87 HydrophobicContact CG1-CD2 3.9Å; V66-F87 HydrophobicContact CG1-CE1 4.02Å; V66-F87 HydrophobicContact CG1-CE2 4.46Å; V66-F87 HydrophobicContact CG1-CG 3.37Å; D84-F87 HydrophobicContact CB-CD2 3.91Å; D84-F87 HydrophobicContact CB-CE2 4.14Å; S85-F87 VanDerWaalsContact C-N 3.34Å; F87-L95 HydrophobicContact CB-CD1 4.24Å; F87-L95 HydrophobicContact CD1-CD1 4.41Å; F87-L95 HydrophobicContact CD1-CD2 4.09Å; F87-L95 HydrophobicContact CD1-CG 4.44Å; F87-L97 HydrophobicContact CD1-CB 4.49Å; F87-L97 HydrophobicContact CD1-CD1 3.79Å; F87-L97 HydrophobicContact CE1-CB 4.45Å; F87-L97 HydrophobicContact CE1-CD1 3.41Å; F87-L97 VanDerWaalsContact CE1-CD1 3.41Å; F87-L97 HydrophobicContact CE1-CD2 4.26Å; F87-L97 HydrophobicContact CE1-CG 4.22Å; F87-L97 HydrophobicContact CZ-CD1 3.8Å; F87-Y108 HydrophobicContact CE1-CE1 4Å |
| 88 | K | 90 | Very high | 80 | Confident | 92 Ų | 92 | 52.3 Ų | 52.3 | 40% | 0.4 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 131.8 | 179.3 | -63.8 | -179.9 | -175.7 | 168.5 | 0 | 110 | S85 L96 E98 | S85-K88 WeakPolarHBondContact O-CE 3.27Å; K88-L96 HydrophobicContact CB-CB 4.34Å; K88-L96 PolarHBondContact N-O 3.42Å; K88-L96 PolarHBondContact O-N 2.89Å; K88-E98 WeakPolarHBondContact CE-OE1 3.25Å; K88-E98 VanDerWaalsContact CE-OE2 3.24Å; K88-E98 WeakPolarHBondContact CE-OE2 3.26Å; K88-E98 IonicContact NZ-OE1 3.79Å; K88-E98 PolarHBondContact NZ-OE1 3Å; K88-E98 IonicContact NZ-OE2 2.7Å; K88-E98 PolarHBondContact NZ-OE2 2.79Å |
| 89 | V | 88.6 | Confident | 82 | Confident | 19 Ų | 19 | 50.2 Ų | 50.2 | 12% | 0.115 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 126.1 | 172.4 | -175.6 | 0 | 0 | 0 | 0 | 108.8 | A67 I69 S94 L95 | A67-V89 HydrophobicContact CB-CG2 3.32Å; I69-V89 HydrophobicContact CD1-CG1 3.65Å; I69-V89 HydrophobicContact CG1-CG1 4.4Å; I69-V89 HydrophobicContact CG2-CB 4.47Å; V89-S94 WeakPolarHBondContact CA-O 3.2Å; V89-L95 HydrophobicContact CG2-CD1 4.18Å |
| 90 | L | 88.8 | Confident | 84.2 | Confident | 51 Ų | 51 | 47 Ų | 47 | 27% | 0.267 | 26% | 0.264 | S | S | . | . | trans | -82.5 | 167.3 | 179.4 | -59.3 | -175.6 | 0 | 0 | 0 | 111 | E36 N92 Y93 S94 L96 | E36-L90 HydrophobicContact CG-CD1 4.12Å; L90-N92 WeakPolarHBondContact CB-OD1 3.45Å; L90-N92 PolarHBondContact O-N 3.18Å; L90-Y93 WeakPolarHBondContact O-CA 3.37Å; L90-Y93 PolarHBondContact O-N 2.83Å; L90-S94 PolarHBondContact N-O 2.82Å; L90-L96 HydrophobicContact CD1-CB 4.33Å; L90-L96 HydrophobicContact CD2-CB 4.03Å; L90-L96 HydrophobicContact CD2-CD2 4.21Å; L90-L96 HydrophobicContact CG-CB 4.11Å | ||
| 91 | G | 82.1 | Confident | 86 | Confident | 70 Ų | 70 | 47.9 Ų | 47.9 | 72% | 0.722 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -20.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y93 | G91-Y93 VanDerWaalsContact C-N 3.3Š|
| 92 | N | 85.8 | Confident | 87.7 | Confident | 83 Ų | 83 | 48 Ų | 48 | 44% | 0.444 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 12 | 171.8 | 65.5 | -11.8 | 0 | 0 | 0 | 113 | E36 L90 S94 | E36-N92 PolarHBondContact OE1-ND2 2.92Å; L90-N92 WeakPolarHBondContact CB-OD1 3.45Å; L90-N92 PolarHBondContact O-N 3.18Å; N92-S94 PolarHBondContact ND2-OG 3.46Å; N92-S94 VanDerWaalsContact ND2-OG 3.12Å; N92-S94 PolarHBondContact O-N 3.41Å; N92-S94 VanDerWaalsContact O-N 3.14Å; N92-S94 VanDerWaalsContact OD1-CB 3.28Å; N92-S94 WeakPolarHBondContact OD1-CB 3.39Å; N92-S94 PolarHBondContact OD1-N 2.93Å; N92-S94 PolarHBondContact OD1-OG 2.88Å |
| 93 | Y | 86.8 | Confident | 89 | Confident | 45 Ų | 45 | 51.2 Ų | 51.2 | 18% | 0.176 | 28% | 0.277 | C | S | . | . | S | Bend | trans | 67.2 | 2.8 | -178.1 | -41.4 | -55.8 | 0 | 0 | 0 | 116.2 | C39 L45 L51 W53 I69 L90 G91 | C39-Y93 WeakPolarHBondContact CB-O 3.43Å; L45-Y93 HydrophobicContact CD1-CD2 4.1Å; L45-Y93 HydrophobicContact CD1-CE2 3.65Å; L51-Y93 HydrophobicContact CD1-CD2 4.39Å; L51-Y93 HydrophobicContact CD1-CG 3.94Å; W53-Y93 PolarHBondContact NE1-O 2.96Å; I69-Y93 HydrophobicContact CD1-CD1 3.48Å; I69-Y93 VanDerWaalsContact CD1-CD1 3.48Å; I69-Y93 HydrophobicContact CD1-CE1 3.99Å; L90-Y93 WeakPolarHBondContact O-CA 3.37Å; L90-Y93 PolarHBondContact O-N 2.83Å; G91-Y93 VanDerWaalsContact C-N 3.3Å |
| 94 | S | 91.6 | Very high | 90.3 | Very high | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -61 | 148.1 | 168.3 | -63.4 | 0 | 0 | 0 | 0 | 111 | E36 L37 P38 V89 L90 N92 | E36-S94 WeakPolarHBondContact OE1-CB 3.48Å; E36-S94 PolarHBondContact OE1-OG 3.03Å; L37-S94 WeakPolarHBondContact O-CA 3.42Å; L37-S94 WeakPolarHBondContact O-CB 3.14Å; P38-S94 WeakPolarHBondContact CA-OG 3.29Å; V89-S94 WeakPolarHBondContact CA-O 3.2Å; L90-S94 PolarHBondContact N-O 2.82Å; N92-S94 PolarHBondContact ND2-OG 3.46Å; N92-S94 VanDerWaalsContact ND2-OG 3.12Å; N92-S94 PolarHBondContact O-N 3.41Å; N92-S94 VanDerWaalsContact O-N 3.14Å; N92-S94 VanDerWaalsContact OD1-CB 3.28Å; N92-S94 WeakPolarHBondContact OD1-CB 3.39Å; N92-S94 PolarHBondContact OD1-N 2.93Å; N92-S94 PolarHBondContact OD1-OG 2.88Å |
| 95 | L | 93.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 119.4 | 171.6 | -175.1 | 69.9 | 0 | 0 | 0 | 109.7 | E36 L37 W53 V66 A67 F87 V89 Y108 | E36-L95 CarbonylContact C-O 3.53Å; E36-L95 WeakPolarHBondContact CA-O 3.41Å; L37-L95 HydrophobicContact CB-CB 4.32Å; L37-L95 HydrophobicContact CD1-CD2 4.12Å; L37-L95 PolarHBondContact N-O 3.46Å; L37-L95 PolarHBondContact O-N 3.02Å; W53-L95 HydrophobicContact CB-CD2 4.41Å; W53-L95 HydrophobicContact CD2-CB 3.78Å; W53-L95 HydrophobicContact CD2-CD2 4.08Å; W53-L95 HydrophobicContact CD2-CG 4.44Å; W53-L95 HydrophobicContact CE3-CB 4.27Å; W53-L95 HydrophobicContact CE3-CD2 4.09Å; W53-L95 HydrophobicContact CG-CB 4.15Å; W53-L95 HydrophobicContact CG-CD1 4.39Å; W53-L95 HydrophobicContact CG-CD2 4.25Å; W53-L95 HydrophobicContact CH2-CB 4.25Å; W53-L95 HydrophobicContact CZ2-CB 3.76Å; W53-L95 HydrophobicContact CZ3-CB 4.5Å; V66-L95 HydrophobicContact CG1-CD1 4.12Å; V66-L95 HydrophobicContact CG1-CD2 3.99Å; A67-L95 HydrophobicContact CB-CD1 4.43Å; F87-L95 HydrophobicContact CB-CD1 4.24Å; F87-L95 HydrophobicContact CD1-CD1 4.41Å; F87-L95 HydrophobicContact CD1-CD2 4.09Å; F87-L95 HydrophobicContact CD1-CG 4.44Å; V89-L95 HydrophobicContact CG2-CD1 4.18Å; L95-Y108 HydrophobicContact CD2-CD1 4.05Å; L95-Y108 HydrophobicContact CD2-CE1 4.28Å |
| 96 | L | 94.8 | Very high | 91.8 | Very high | 34 Ų | 34 | 38.5 Ų | 38.5 | 18% | 0.178 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 122.8 | 167.8 | -175.9 | 69.9 | 0 | 0 | 0 | 109.1 | E36 K88 L90 E98 | E36-L96 HydrophobicContact CB-CD1 4.5Å; K88-L96 HydrophobicContact CB-CB 4.34Å; K88-L96 PolarHBondContact N-O 3.42Å; K88-L96 PolarHBondContact O-N 2.89Å; L90-L96 HydrophobicContact CD1-CB 4.33Å; L90-L96 HydrophobicContact CD2-CB 4.03Å; L90-L96 HydrophobicContact CD2-CD2 4.21Å; L90-L96 HydrophobicContact CG-CB 4.11Å; L96-E98 HydrophobicContact CD2-CG 4.18Å; L96-E98 HydrophobicContact CG-CG 4.32Å |
| 97 | L | 95.4 | Very high | 92 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 109.8 | 170.8 | 173.5 | 53 | 0 | 0 | 0 | 109 | S34 A35 R86 F87 P100 D104 | S34-L97 CarbonylContact C-O 3.53Å; S34-L97 VanDerWaalsContact CA-O 3.26Å; S34-L97 WeakPolarHBondContact CA-O 3.47Å; A35-L97 PolarHBondContact N-O 3.3Å; A35-L97 PolarHBondContact O-N 3Å; R86-L97 HydrophobicContact CB-CD1 4.42Å; F87-L97 HydrophobicContact CD1-CB 4.49Å; F87-L97 HydrophobicContact CD1-CD1 3.79Å; F87-L97 HydrophobicContact CE1-CB 4.45Å; F87-L97 HydrophobicContact CE1-CD1 3.41Å; F87-L97 VanDerWaalsContact CE1-CD1 3.41Å; F87-L97 HydrophobicContact CE1-CD2 4.26Å; F87-L97 HydrophobicContact CE1-CG 4.22Å; F87-L97 HydrophobicContact CZ-CD1 3.8Å; L97-P100 HydrophobicContact CD2-CB 3.83Å; L97-P100 HydrophobicContact CD2-CG 4.01Å; L97-P100 HydrophobicContact CG-CB 4.15Å; L97-P100 HydrophobicContact CG-CG 3.93Å; L97-D104 HydrophobicContact CD2-CB 3.86Å |
| 98 | E | 94.9 | Very high | 92.2 | Very high | 60 Ų | 60 | 41.5 Ų | 41.5 | 28% | 0.28 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -84.1 | 128.7 | 177.5 | -63.7 | -175.3 | 158.9 | 0 | 0 | 111.6 | R86 K88 L96 | R86-E98 HydrophobicContact CB-CB 4.26Å; R86-E98 WeakPolarHBondContact CB-O 3.45Å; R86-E98 WeakPolarHBondContact CD-O 3.3Å; R86-E98 PolarHBondContact O-N 2.81Å; K88-E98 WeakPolarHBondContact CE-OE1 3.25Å; K88-E98 VanDerWaalsContact CE-OE2 3.24Å; K88-E98 WeakPolarHBondContact CE-OE2 3.26Å; K88-E98 IonicContact NZ-OE1 3.79Å; K88-E98 PolarHBondContact NZ-OE1 3Å; K88-E98 IonicContact NZ-OE2 2.7Å; K88-E98 PolarHBondContact NZ-OE2 2.79Å; L96-E98 HydrophobicContact CD2-CG 4.18Å; L96-E98 HydrophobicContact CG-CG 4.32Å |
| 99 | G | 94.2 | Very high | 92.4 | Very high | 20 Ų | 20 | 39.1 Ų | 39.1 | 21% | 0.206 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 49.4 | 64.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | R86 | R86-G99 PolarHBondContact NH1-O 3.29Å; R86-G99 VanDerWaalsContact NH1-O 3.13Å |
| 100 | P | 95 | Very high | 92.5 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | trans | -50.9 | 141.1 | 175.8 | -18.7 | 26.1 | 0 | 0 | 0 | 111.8 | A29 S31 G32 E33 A35 L97 V129 | A29-P100 HydrophobicContact CB-CB 4.03Å; A29-P100 HydrophobicContact CB-CG 3.83Å; S31-P100 VanDerWaalsContact CA-O 3.31Å; S31-P100 WeakPolarHBondContact CA-O 3.42Å; S31-P100 PolarHBondContact OG-O 3.16Å; G32-P100 PolarHBondContact N-O 3.48Å; G32-P100 VanDerWaalsContact N-O 3.14Å; E33-P100 WeakPolarHBondContact O-CD 3.25Å; E33-P100 WeakPolarHBondContact O-CG 3.42Å; A35-P100 HydrophobicContact CB-CG 4.22Å; L97-P100 HydrophobicContact CD2-CB 3.83Å; L97-P100 HydrophobicContact CD2-CG 4.01Å; L97-P100 HydrophobicContact CG-CB 4.15Å; L97-P100 HydrophobicContact CG-CG 3.93Å; P100-V129 HydrophobicContact CB-CG1 4.49Å; P100-V129 HydrophobicContact CB-CG2 4.12Å | ||
| 101 | R | 94.4 | Very high | 92.5 | Very high | 127 Ų | 127 | 35.9 Ų | 35.9 | 48% | 0.479 | 19% | 0.186 | S | C | . | . | trans | -124.5 | 170.2 | 178.1 | -56.9 | 176.4 | -179.8 | -179.7 | 1.9 | 110.7 | E103 D104 V129 | R101-E103 HydrophobicContact CB-CG 4.21Å; R101-E103 WeakPolarHBondContact CB-OE1 3.33Å; R101-E103 VanDerWaalsContact CB-OE2 3.26Å; R101-E103 WeakPolarHBondContact CB-OE2 3.37Å; R101-E103 WeakPolarHBondContact CD-OE1 3.44Å; R101-E103 IonicContact NH1-OE1 2.64Å; R101-E103 PolarHBondContact O-N 3.06Å; R101-D104 PolarHBondContact N-OD2 3.28Å; R101-D104 WeakPolarHBondContact O-CB 3.29Å; R101-D104 PolarHBondContact O-N 3.15Å; R101-V129 WeakPolarHBondContact O-CG2 3.31Å | ||
| 102 | D | 94.4 | Very high | 92.5 | Very high | 58 Ų | 58 | 32.8 Ų | 32.8 | 31% | 0.31 | 15% | 0.153 | S | C | . | . | G | 310 helix | trans | -57.2 | -41.4 | -177.4 | -77.7 | -8 | 0 | 0 | 0 | 112.7 | D104 A105 K131 V153 | D102-D104 PolarHBondContact O-N 2.93Å; D102-A105 WeakPolarHBondContact O-CB 3.4Å; D102-A105 PolarHBondContact O-N 3.43Å; D102-A105 VanDerWaalsContact O-N 3.15Å; D102-K131 VanDerWaalsContact CG-CE 3.5Å; D102-K131 VanDerWaalsContact OD1-CD 3.26Å; D102-K131 WeakPolarHBondContact OD1-CD 3.28Å; D102-K131 WeakPolarHBondContact OD1-CE 3.43Å; D102-K131 IonicContact OD1-NZ 3.9Å; D102-K131 PolarHBondContact OD1-NZ 3.09Å; D102-K131 IonicContact OD2-NZ 3.41Å; D102-K131 PolarHBondContact OD2-NZ 3.14Å; D102-V153 HydrophobicContact CB-CG1 4.07Å; D102-V153 WeakPolarHBondContact OD1-CG2 3.42Å |
| 103 | E | 92.3 | Very high | 92.2 | Very high | 98 Ų | 98 | 31.2 Ų | 31.2 | 46% | 0.458 | 14% | 0.143 | S | C | . | . | G | 310 helix | trans | -57.4 | -36.7 | 178.5 | 57.6 | -91 | -151.8 | 0 | 0 | 111.2 | R55 R101 A105 | R55-E103 PolarHBondContact NH2-O 3.14Å; R101-E103 HydrophobicContact CB-CG 4.21Å; R101-E103 WeakPolarHBondContact CB-OE1 3.33Å; R101-E103 VanDerWaalsContact CB-OE2 3.26Å; R101-E103 WeakPolarHBondContact CB-OE2 3.37Å; R101-E103 WeakPolarHBondContact CD-OE1 3.44Å; R101-E103 IonicContact NH1-OE1 2.64Å; R101-E103 PolarHBondContact O-N 3.06Å; E103-A105 PolarHBondContact O-N 3.29Å; E103-A105 VanDerWaalsContact O-N 3.14Å |
| 104 | D | 93.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -67.5 | -12 | -176.8 | -57.1 | -40 | 0 | 0 | 0 | 113.5 | R55 R86 L97 R101 D102 Y108 | R55-D104 IonicContact CZ-OD1 3.45Å; R55-D104 IonicContact NH1-OD1 2.73Å; R55-D104 PolarHBondContact NH1-OD1 2.78Å; R55-D104 VanDerWaalsContact NH2-CA 3.32Å; R55-D104 IonicContact NH2-OD1 2.72Å; R86-D104 IonicContact CZ-OD1 3.96Å; R86-D104 IonicContact CZ-OD2 3.65Å; R86-D104 IonicContact NH1-OD1 2.69Å; R86-D104 IonicContact NH1-OD2 2.83Å; R86-D104 PolarHBondContact NH1-OD2 3.08Å; R86-D104 IonicContact NH2-OD1 2.88Å; R86-D104 PolarHBondContact NH2-OD1 3.1Å; R86-D104 IonicContact NH2-OD2 3.72Å; R86-D104 PolarHBondContact NH2-OD2 3.32Å; L97-D104 HydrophobicContact CD2-CB 3.86Å; R101-D104 PolarHBondContact N-OD2 3.28Å; R101-D104 WeakPolarHBondContact O-CB 3.29Å; R101-D104 PolarHBondContact O-N 3.15Å; D102-D104 PolarHBondContact O-N 2.93Å; D104-Y108 WeakPolarHBondContact O-CE2 2.9Å; D104-Y108 PolarHBondContact O-OH 2.79Å |
| 105 | A | 95.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -66.3 | 138.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A58 D102 E103 V129 V153 | A58-A105 PolarHBondContact N-O 3.39Å; D102-A105 WeakPolarHBondContact O-CB 3.4Å; D102-A105 PolarHBondContact O-N 3.43Å; D102-A105 VanDerWaalsContact O-N 3.15Å; E103-A105 PolarHBondContact O-N 3.29Å; E103-A105 VanDerWaalsContact O-N 3.14Å; A105-V129 HydrophobicContact CB-CG2 4.19Å; A105-V153 HydrophobicContact CB-CG1 4.13Å; A105-V153 VanDerWaalsContact CB-O 3.23Å; A105-V153 WeakPolarHBondContact CB-O 2.95Å | ||
| 106 | G | 94.9 | Very high | 89.4 | Confident | 4 Ų | 4 | 44.3 Ų | 44.3 | 4% | 0.041 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 156 | -168.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113 | S56 V127 | S56-G106 CarbonylContact O-C 3.53Å; S56-G106 VanDerWaalsContact O-CA 3.28Å; S56-G106 WeakPolarHBondContact O-CA 3.29Å; G106-V127 PolarHBondContact N-O 2.76Å; G106-V127 VanDerWaalsContact N-O 3.14Å; G106-V127 PolarHBondContact O-N 2.77Å |
| 107 | R | 95.1 | Very high | 88.3 | Confident | 104 Ų | 104 | 52.7 Ų | 52.7 | 39% | 0.392 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 129.2 | 178.6 | -176.9 | 164.6 | -69.5 | 169.2 | 3.1 | 110.2 | R55 S56 W109 V124 Y125 D126 | R55-R107 CarbonylContact C-O 3.51Å; R55-R107 VanDerWaalsContact CA-O 3.28Å; R55-R107 WeakPolarHBondContact CA-O 3.37Å; S56-R107 PolarHBondContact N-O 2.99Å; S56-R107 PolarHBondContact O-N 2.83Å; R107-W109 HydrophobicContact CB-CZ3 4.35Å; R107-W109 HydrophobicContact CG-CE3 3.95Å; R107-W109 HydrophobicContact CG-CZ3 4.09Å; R107-W109 WeakPolarHBondContact O-CZ3 3.19Å; R107-V124 HydrophobicContact CG-CG1 3.66Å; R107-Y125 CarbonylContact C-O 3.58Å; R107-Y125 VanDerWaalsContact CA-O 3.29Å; R107-Y125 WeakPolarHBondContact CA-O 3.35Å; R107-D126 IonicContact CZ-OD1 3.55Å; R107-D126 IonicContact CZ-OD2 3.81Å; R107-D126 IonicContact NE-OD1 3.32Å; R107-D126 PolarHBondContact NE-OD1 2.89Å; R107-D126 IonicContact NH2-OD1 2.74Å; R107-D126 PolarHBondContact NH2-OD1 3.23Å; R107-D126 VanDerWaalsContact NH2-OD1 3.13Å; R107-D126 IonicContact NH2-OD2 3.25Å; R107-D126 PolarHBondContact NH2-OD2 2.93Å |
| 108 | Y | 95.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 145.5 | 177.3 | -70.2 | -105.3 | 0 | 0 | 0 | 109.8 | L37 F54 R55 V66 F87 L95 D104 V124 Y125 V127 | L37-Y108 HydrophobicContact CD1-CD1 3.76Å; L37-Y108 HydrophobicContact CD1-CD2 4.27Å; L37-Y108 HydrophobicContact CD1-CE1 4.4Å; L37-Y108 HydrophobicContact CD1-CG 3.67Å; F54-Y108 VanDerWaalsContact O-CA 3.29Å; F54-Y108 WeakPolarHBondContact O-CA 3.32Å; R55-Y108 HydrophobicContact CB-CD1 3.91Å; R55-Y108 HydrophobicContact CB-CE1 3.74Å; R55-Y108 HydrophobicContact CB-CG 4.47Å; R55-Y108 VanDerWaalsContact CD-CZ 3.47Å; R55-Y108 VanDerWaalsContact CD-OH 3.23Å; R55-Y108 WeakPolarHBondContact CD-OH 3.23Å; R55-Y108 HydrophobicContact CG-CD1 4.21Å; R55-Y108 HydrophobicContact CG-CD2 4.43Å; R55-Y108 HydrophobicContact CG-CE1 3.72Å; R55-Y108 HydrophobicContact CG-CE2 3.96Å; R55-Y108 PolarHBondContact NE-OH 2.86Å; V66-Y108 HydrophobicContact CG2-CE1 4.47Å; F87-Y108 HydrophobicContact CE1-CE1 4Å; L95-Y108 HydrophobicContact CD2-CD1 4.05Å; L95-Y108 HydrophobicContact CD2-CE1 4.28Å; D104-Y108 WeakPolarHBondContact O-CE2 2.9Å; D104-Y108 PolarHBondContact O-OH 2.79Å; Y108-V124 CarbonylContact O-C 3.54Å; Y108-V124 WeakPolarHBondContact O-CA 3.35Å; Y108-Y125 PolarHBondContact N-O 3.03Å; Y108-Y125 PolarHBondContact O-N 3Å; Y108-V127 HydrophobicContact CD2-CB 3.8Å; Y108-V127 HydrophobicContact CD2-CG2 3.38Å; Y108-V127 HydrophobicContact CE2-CB 3.79Å; Y108-V127 HydrophobicContact CE2-CG1 4.37Å; Y108-V127 HydrophobicContact CE2-CG2 3.79Å; Y108-V127 HydrophobicContact CG-CG2 4.14Å |
| 109 | W | 93.3 | Very high | 86.2 | Confident | 42 Ų | 42 | 62 Ų | 62 | 16% | 0.159 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 144.7 | 171.9 | 59.2 | 99.3 | 0 | 0 | 0 | 111.9 | W53 F54 T63 R107 R123 V124 | W53-W109 VanDerWaalsContact CE3-C 3.46Å; F54-W109 HydrophobicContact CB-CD2 3.85Å; F54-W109 HydrophobicContact CB-CE3 4.43Å; F54-W109 HydrophobicContact CB-CG 4.33Å; F54-W109 HydrophobicContact CB-CH2 4.14Å; F54-W109 HydrophobicContact CB-CZ2 3.5Å; F54-W109 VanDerWaalsContact CB-CZ2 3.5Å; F54-W109 AromaticContact CD2-NE1 3.63Å; F54-W109 HydrophobicContact CG-CZ2 4.22Å; F54-W109 AromaticContact CG-NE1 3.79Å; F54-W109 PolarHBondContact N-O 3.27Å; F54-W109 PolarHBondContact O-N 3.24Å; T63-W109 HydrophobicContact CG2-CH2 3.48Å; T63-W109 VanDerWaalsContact CG2-CH2 3.48Å; T63-W109 HydrophobicContact CG2-CZ2 3.45Å; T63-W109 VanDerWaalsContact CG2-CZ2 3.45Å; R107-W109 HydrophobicContact CB-CZ3 4.35Å; R107-W109 HydrophobicContact CG-CE3 3.95Å; R107-W109 HydrophobicContact CG-CZ3 4.09Å; R107-W109 WeakPolarHBondContact O-CZ3 3.19Å; W109-R123 WeakPolarHBondContact CA-O 3.32Å; W109-R123 VanDerWaalsContact CB-O 3.27Å; W109-R123 WeakPolarHBondContact CB-O 3.42Å; W109-V124 HydrophobicContact CB-CG2 4.06Å |
| 110 | C | 90.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 136.3 | 167.8 | 73.5 | 0 | 0 | 0 | 0 | 109.9 | C39 W53 W122 R123 | C39-C110 HydrophobicContact CB-CB 3.83Å; C39-C110 WeakPolarHBondContact CB-SG 3.28Å; C39-C110 WeakPolarHBondContact SG-CB 3.33Å; C39-C110 CovalentContact SG-SG 2.06Å; C39-C110 PolarHBondContact SG-SG 2.85Å; W53-C110 HydrophobicContact CD2-CB 3.78Å; W53-C110 HydrophobicContact CE3-CB 4.02Å; W53-C110 HydrophobicContact CG-CB 4.45Å; W53-C110 HydrophobicContact CH2-CB 3.94Å; W53-C110 HydrophobicContact CZ2-CB 3.69Å; W53-C110 HydrophobicContact CZ3-CB 4.09Å; C110-W122 PolarHBondContact O-N 2.95Å; C110-W122 VanDerWaalsContact O-N 3.08Å; C110-R123 PolarHBondContact N-O 2.78Å |
| 111 | T | 87.8 | Confident | 84.5 | Confident | 2 Ų | 2 | 70.2 Ų | 70.2 | 1% | 0.012 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 149.2 | 178.8 | -171.7 | 0 | 0 | 0 | 0 | 109.7 | L51 S52 F54 Y119 Q120 N121 | L51-T111 WeakPolarHBondContact CA-O 3.28Å; S52-T111 PolarHBondContact N-O 2.8Å; S52-T111 PolarHBondContact O-N 2.85Å; F54-T111 HydrophobicContact CD2-CG2 3.69Å; F54-T111 HydrophobicContact CE2-CG2 3.39Å; T111-Y119 HydrophobicContact CG2-CD1 3.69Å; T111-Y119 HydrophobicContact CG2-CE1 4.22Å; T111-Q120 WeakPolarHBondContact CA-O 3.21Å; T111-Q120 PolarHBondContact OG1-N 3.13Å; T111-Q120 PolarHBondContact OG1-O 3.48Å; T111-Q120 VanDerWaalsContact OG1-O 3.05Å; T111-N121 PolarHBondContact OG1-OD1 3.05Å |
| 112 | V | 83.9 | Confident | 83.8 | Confident | 4 Ų | 4 | 66.6 Ų | 66.6 | 2% | 0.024 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 131.1 | 171.1 | 175.2 | 0 | 0 | 0 | 0 | 109.4 | L45 Q49 L50 L51 Q120 W122 | L45-V112 HydrophobicContact CD2-CG1 4.17Å; L45-V112 HydrophobicContact CD2-CG2 4.38Å; Q49-V112 HydrophobicContact CB-CG1 3.81Å; Q49-V112 HydrophobicContact CG-CG1 4.33Å; Q49-V112 VanDerWaalsContact OE1-CG1 3.3Å; L50-V112 WeakPolarHBondContact O-CA 3.45Å; L51-V112 HydrophobicContact CB-CG2 3.94Å; L51-V112 HydrophobicContact CD1-CG2 3.87Å; L51-V112 HydrophobicContact CG-CG2 3.98Å; V112-Q120 PolarHBondContact N-O 2.68Å; V112-Q120 VanDerWaalsContact N-O 3.17Å; V112-Q120 PolarHBondContact O-N 2.69Å; V112-W122 HydrophobicContact CB-CH2 3.79Å; V112-W122 HydrophobicContact CB-CZ2 3.45Å; V112-W122 VanDerWaalsContact CB-CZ2 3.45Å; V112-W122 HydrophobicContact CG1-CH2 4.35Å; V112-W122 HydrophobicContact CG1-CZ2 4.1Å; V112-W122 HydrophobicContact CG2-CD2 4.34Å; V112-W122 HydrophobicContact CG2-CE3 4.17Å; V112-W122 HydrophobicContact CG2-CH2 3.07Å; V112-W122 HydrophobicContact CG2-CZ2 3.3Å; V112-W122 HydrophobicContact CG2-CZ3 3.57Å |
| 113 | M | 79.6 | Confident | 83.4 | Confident | 51 Ų | 51 | 65.2 Ų | 65.2 | 25% | 0.251 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 116.8 | 171.7 | -171.8 | 170.8 | 64.3 | 0 | 0 | 108.5 | L50 R117 Y119 | L50-M113 HydrophobicContact CB-CB 4.33Å; L50-M113 HydrophobicContact CB-CE 4.19Å; L50-M113 HydrophobicContact CD2-CE 3.86Å; L50-M113 PolarHBondContact O-N 2.95Å; M113-R117 HydrophobicContact SD-CB 4.44Å; M113-Y119 HydrophobicContact CB-CD1 4.21Å; M113-Y119 HydrophobicContact CB-CE1 3.99Å; M113-Y119 HydrophobicContact CG-CE1 4.41Å; M113-Y119 HydrophobicContact SD-CE1 4.41Å |
| 114 | D | 70.8 | Confident | 83.4 | Confident | 41 Ų | 41 | 61.5 Ų | 61.5 | 22% | 0.219 | 27% | 0.274 | C | S | . | . | trans | -73.5 | 174.5 | 175.3 | 73 | 14.8 | 0 | 0 | 0 | 112.1 | N116 R117 K118 | D114-N116 PolarHBondContact O-N 3.34Å; D114-N116 VanDerWaalsContact OD1-CA 3.25Å; D114-N116 WeakPolarHBondContact OD1-CA 3.37Å; D114-N116 WeakPolarHBondContact OD1-CB 3.18Å; D114-N116 PolarHBondContact OD1-N 2.88Å; D114-R117 PolarHBondContact O-N 3.01Å; D114-R117 PolarHBondContact OD1-N 3.21Å; D114-K118 PolarHBondContact N-O 3.03Å; D114-K118 PolarHBondContact OD1-N 3.47Å | ||
| 115 | Q | 70.1 | Confident | 83.4 | Confident | 151 Ų | 151 | 61.7 Ų | 61.7 | 71% | 0.706 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -22.9 | 178.1 | -66 | 176.1 | -9.3 | 0 | 0 | 113 | R117 | Q115-R117 VanDerWaalsContact C-N 3.26Å; Q115-R117 PolarHBondContact O-N 2.63Å |
| 116 | N | 70.9 | Confident | 83.4 | Confident | 130 Ų | 130 | 63 Ų | 63 | 70% | 0.695 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | 11.2 | 177.4 | -64.8 | -29.3 | 0 | 0 | 0 | 112.5 | D114 K118 | D114-N116 PolarHBondContact O-N 3.34Å; D114-N116 VanDerWaalsContact OD1-CA 3.25Å; D114-N116 WeakPolarHBondContact OD1-CA 3.37Å; D114-N116 WeakPolarHBondContact OD1-CB 3.18Å; D114-N116 PolarHBondContact OD1-N 2.88Å; N116-K118 PolarHBondContact O-N 3.14Å |
| 117 | R | 71.5 | Confident | 83.4 | Confident | 210 Ų | 210 | 62.9 Ų | 62.9 | 79% | 0.792 | 28% | 0.28 | S | S | * | . | S | Bend | trans | 59.5 | 26.1 | -178 | -56.1 | -179.3 | 176.8 | 163.7 | -1 | 113.9 | M113 D114 Q115 | M113-R117 HydrophobicContact SD-CB 4.44Å; D114-R117 PolarHBondContact O-N 3.01Å; D114-R117 PolarHBondContact OD1-N 3.21Å; Q115-R117 VanDerWaalsContact C-N 3.26Å; Q115-R117 PolarHBondContact O-N 2.63Å |
| 118 | K | 72.6 | Confident | 83.4 | Confident | 134 Ų | 134 | 57.9 Ų | 57.9 | 58% | 0.583 | 26% | 0.262 | S | S | * | . | trans | -94.8 | 133.2 | 171.8 | -65.3 | -174.4 | 177.1 | -178.4 | 0 | 109.6 | D114 N116 | D114-K118 PolarHBondContact N-O 3.03Å; D114-K118 PolarHBondContact OD1-N 3.47Å; N116-K118 PolarHBondContact O-N 3.14Å | ||
| 119 | Y | 73.5 | Confident | 83.4 | Confident | 126 Ų | 126 | 57.9 Ų | 57.9 | 49% | 0.494 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 128.3 | 173 | -72.3 | -78 | 0 | 0 | 0 | 109.9 | T111 M113 | T111-Y119 HydrophobicContact CG2-CD1 3.69Å; T111-Y119 HydrophobicContact CG2-CE1 4.22Å; M113-Y119 HydrophobicContact CB-CD1 4.21Å; M113-Y119 HydrophobicContact CB-CE1 3.99Å; M113-Y119 HydrophobicContact CG-CE1 4.41Å; M113-Y119 HydrophobicContact SD-CE1 4.41Å |
| 120 | Q | 76.8 | Confident | 83.5 | Confident | 102 Ų | 102 | 55.9 Ų | 55.9 | 48% | 0.477 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 109 | 170.7 | -63.9 | -64.1 | -22.5 | 0 | 0 | 108.2 | T111 V112 W122 | T111-Q120 WeakPolarHBondContact CA-O 3.21Å; T111-Q120 PolarHBondContact OG1-N 3.13Å; T111-Q120 PolarHBondContact OG1-O 3.48Å; T111-Q120 VanDerWaalsContact OG1-O 3.05Å; V112-Q120 PolarHBondContact N-O 2.68Å; V112-Q120 VanDerWaalsContact N-O 3.17Å; V112-Q120 PolarHBondContact O-N 2.69Å; Q120-W122 PolarHBondContact O-N 3.09Å |
| 121 | N | 77.8 | Confident | 83.7 | Confident | 91 Ų | 91 | 58.7 Ų | 58.7 | 49% | 0.487 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 125.7 | 171.9 | -67.6 | -17.3 | 0 | 0 | 0 | 108.3 | T111 | T111-N121 PolarHBondContact OG1-OD1 3.05Å |
| 122 | W | 79.1 | Confident | 84.1 | Confident | 50 Ų | 50 | 60.1 Ų | 60.1 | 19% | 0.189 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | -32.6 | 179.3 | -68.8 | -8.8 | 0 | 0 | 0 | 113.2 | P42 L45 L51 C110 V112 Q120 | P42-W122 HydrophobicContact CB-CZ2 4.3Å; P42-W122 HydrophobicContact CG-CD2 4.5Å; P42-W122 HydrophobicContact CG-CH2 3.37Å; P42-W122 HydrophobicContact CG-CZ2 3.19Å; P42-W122 HydrophobicContact CG-CZ3 4.11Å; L45-W122 HydrophobicContact CD1-CH2 3.9Å; L45-W122 HydrophobicContact CD1-CZ3 4.24Å; L45-W122 HydrophobicContact CD2-CH2 3.48Å; L45-W122 VanDerWaalsContact CD2-CH2 3.48Å; L45-W122 HydrophobicContact CD2-CZ2 4.12Å; L45-W122 HydrophobicContact CG-CH2 3.71Å; L51-W122 HydrophobicContact CD1-CZ3 4.25Å; C110-W122 PolarHBondContact O-N 2.95Å; C110-W122 VanDerWaalsContact O-N 3.08Å; V112-W122 HydrophobicContact CB-CH2 3.79Å; V112-W122 HydrophobicContact CB-CZ2 3.45Å; V112-W122 VanDerWaalsContact CB-CZ2 3.45Å; V112-W122 HydrophobicContact CG1-CH2 4.35Å; V112-W122 HydrophobicContact CG1-CZ2 4.1Å; V112-W122 HydrophobicContact CG2-CD2 4.34Å; V112-W122 HydrophobicContact CG2-CE3 4.17Å; V112-W122 HydrophobicContact CG2-CH2 3.07Å; V112-W122 HydrophobicContact CG2-CZ2 3.3Å; V112-W122 HydrophobicContact CG2-CZ3 3.57Å; Q120-W122 PolarHBondContact O-N 3.09Å |
| 123 | R | 86.9 | Confident | 84.6 | Confident | 29 Ų | 29 | 61.5 Ų | 61.5 | 11% | 0.109 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 134.1 | -175.6 | -159 | 68.9 | -161.5 | 142.6 | 14.8 | 111.7 | D22 S23 Q25 P40 W109 C110 Y125 | D22-R123 IonicContact OD1-CZ 2.86Å; D22-R123 IonicContact OD1-NH1 3.8Å; D22-R123 PolarHBondContact OD1-NH1 3.17Å; S23-R123 PolarHBondContact O-NH1 2.74Å; S23-R123 PolarHBondContact O-NH2 2.81Å; Q25-R123 VanDerWaalsContact CB-NH2 3.34Å; P40-R123 HydrophobicContact CG-CB 4.05Å; P40-R123 HydrophobicContact CG-CG 4.26Å; W109-R123 WeakPolarHBondContact CA-O 3.32Å; W109-R123 VanDerWaalsContact CB-O 3.27Å; W109-R123 WeakPolarHBondContact CB-O 3.42Å; C110-R123 PolarHBondContact N-O 2.78Å; R123-Y125 HydrophobicContact CB-CE2 4.12Å; R123-Y125 HydrophobicContact CG-CD2 4.31Å; R123-Y125 HydrophobicContact CG-CE1 3.99Å; R123-Y125 HydrophobicContact CG-CE2 3.49Å; R123-Y125 VanDerWaalsContact CG-CE2 3.49Å; R123-Y125 VanDerWaalsContact CG-OH 3.26Å; R123-Y125 WeakPolarHBondContact CG-OH 3.41Å |
| 124 | V | 91.8 | Very high | 85.3 | Confident | 21 Ų | 21 | 63.1 Ų | 63.1 | 13% | 0.127 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 130.7 | 178.2 | -171.6 | 0 | 0 | 0 | 0 | 109.8 | I24 Q25 R107 Y108 W109 | I24-V124 HydrophobicContact CG1-CB 4.38Å; I24-V124 HydrophobicContact CG1-CG1 4.24Å; I24-V124 HydrophobicContact CG2-CG1 4.37Å; Q25-V124 PolarHBondContact N-O 2.81Å; R107-V124 HydrophobicContact CG-CG1 3.66Å; Y108-V124 CarbonylContact O-C 3.54Å; Y108-V124 WeakPolarHBondContact O-CA 3.35Å; W109-V124 HydrophobicContact CB-CG2 4.06Å |
| 125 | Y | 94.3 | Very high | 86.2 | Confident | 4 Ų | 4 | 66.2 Ų | 66.2 | 2% | 0.016 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 134.2 | 179 | -62.1 | -70.8 | 0 | 0 | 0 | 111.2 | Q25 I27 L37 P38 W53 R107 Y108 R123 | Q25-Y125 HydrophobicContact CB-CD1 3.83Å; Q25-Y125 HydrophobicContact CB-CE1 4.01Å; Q25-Y125 CarbonylContact O-C 3.59Å; Q25-Y125 VanDerWaalsContact O-CA 3.25Å; Q25-Y125 WeakPolarHBondContact O-CA 3.18Å; I27-Y125 HydrophobicContact CD1-CD1 3.29Å; I27-Y125 HydrophobicContact CD1-CD2 4.48Å; I27-Y125 HydrophobicContact CD1-CE1 3.55Å; I27-Y125 HydrophobicContact CD1-CG 3.79Å; I27-Y125 HydrophobicContact CG1-CD1 3.86Å; I27-Y125 HydrophobicContact CG1-CE1 4.36Å; L37-Y125 HydrophobicContact CB-CD2 4.16Å; L37-Y125 HydrophobicContact CB-CE2 4.25Å; P38-Y125 WeakPolarHBondContact CD-OH 3.18Å; P38-Y125 VanDerWaalsContact CG-OH 3.24Å; P38-Y125 WeakPolarHBondContact CG-OH 3.5Å; P38-Y125 WeakPolarHBondContact O-CE2 3.35Å; P38-Y125 VanDerWaalsContact O-CZ 3.23Å; P38-Y125 PolarHBondContact O-OH 3.13Å; W53-Y125 HydrophobicContact CH2-CD2 4.11Å; W53-Y125 AromaticContact CH2-CE2 3.94Å; W53-Y125 HydrophobicContact CH2-CE2 3.94Å; W53-Y125 HydrophobicContact CZ3-CD2 4.23Å; W53-Y125 HydrophobicContact CZ3-CE2 4.49Å; R107-Y125 CarbonylContact C-O 3.58Å; R107-Y125 VanDerWaalsContact CA-O 3.29Å; R107-Y125 WeakPolarHBondContact CA-O 3.35Å; Y108-Y125 PolarHBondContact N-O 3.03Å; Y108-Y125 PolarHBondContact O-N 3Å; R123-Y125 HydrophobicContact CB-CE2 4.12Å; R123-Y125 HydrophobicContact CG-CD2 4.31Å; R123-Y125 HydrophobicContact CG-CE1 3.99Å; R123-Y125 HydrophobicContact CG-CE2 3.49Å; R123-Y125 VanDerWaalsContact CG-CE2 3.49Å; R123-Y125 VanDerWaalsContact CG-OH 3.26Å; R123-Y125 WeakPolarHBondContact CG-OH 3.41Å |
| 126 | D | 94.3 | Very high | 87.1 | Confident | 27 Ų | 27 | 63.2 Ų | 63.2 | 14% | 0.144 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 100.7 | 163.4 | -81.1 | -6.7 | 0 | 0 | 0 | 108.2 | I24 Q25 I26 I27 R107 | I24-D126 HydrophobicContact CG2-CB 4.04Å; Q25-D126 PolarHBondContact O-N 2.76Å; I26-D126 VanDerWaalsContact CA-O 3.3Å; I26-D126 WeakPolarHBondContact CA-O 3.18Å; I26-D126 HydrophobicContact CG1-CB 4.37Å; I27-D126 PolarHBondContact N-O 3.19Å; R107-D126 IonicContact CZ-OD1 3.55Å; R107-D126 IonicContact CZ-OD2 3.81Å; R107-D126 IonicContact NE-OD1 3.32Å; R107-D126 PolarHBondContact NE-OD1 2.89Å; R107-D126 IonicContact NH2-OD1 2.74Å; R107-D126 PolarHBondContact NH2-OD1 3.23Å; R107-D126 VanDerWaalsContact NH2-OD1 3.13Å; R107-D126 IonicContact NH2-OD2 3.25Å; R107-D126 PolarHBondContact NH2-OD2 2.93Å |
| 127 | V | 95.8 | Very high | 88 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 131.5 | -179.7 | 179.4 | 0 | 0 | 0 | 0 | 109.4 | I27 A29 L37 G106 Y108 R156 | I27-V127 HydrophobicContact CB-CG2 4.46Å; I27-V127 WeakPolarHBondContact O-CA 3.42Å; A29-V127 HydrophobicContact CB-CG1 4.24Å; L37-V127 HydrophobicContact CD1-CG2 3.97Å; L37-V127 HydrophobicContact CD2-CG2 3.63Å; L37-V127 HydrophobicContact CG-CG2 4.49Å; G106-V127 PolarHBondContact N-O 2.76Å; G106-V127 VanDerWaalsContact N-O 3.14Å; G106-V127 PolarHBondContact O-N 2.77Å; Y108-V127 HydrophobicContact CD2-CB 3.8Å; Y108-V127 HydrophobicContact CD2-CG2 3.38Å; Y108-V127 HydrophobicContact CE2-CB 3.79Å; Y108-V127 HydrophobicContact CE2-CG1 4.37Å; Y108-V127 HydrophobicContact CE2-CG2 3.79Å; Y108-V127 HydrophobicContact CG-CG2 4.14Å; V127-R156 PolarHBondContact O-NH2 2.98Å |
| 128 | S | 94.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 136.4 | 173.3 | -43.6 | 0 | 0 | 0 | 0 | 109.9 | I27 Y28 A29 V152 V153 R156 | I27-S128 PolarHBondContact O-N 2.87Å; Y28-S128 WeakPolarHBondContact CA-O 3.28Å; A29-S128 PolarHBondContact N-O 3.21Å; S128-V152 VanDerWaalsContact CB-CG2 3.48Å; S128-V153 CarbonylContact C-O 3.45Å; S128-V153 WeakPolarHBondContact CA-O 3.2Å; S128-R156 PolarHBondContact OG-NE 3.25Å; S128-R156 PolarHBondContact OG-NH2 3.26Å |
| 129 | V | 95.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 121.5 | -178.8 | 178.7 | 0 | 0 | 0 | 0 | 109.5 | A29 P100 R101 A105 V152 V153 | A29-V129 CarbonylContact O-C 3.54Å; A29-V129 WeakPolarHBondContact O-CA 3.5Å; P100-V129 HydrophobicContact CB-CG1 4.49Å; P100-V129 HydrophobicContact CB-CG2 4.12Å; R101-V129 WeakPolarHBondContact O-CG2 3.31Å; A105-V129 HydrophobicContact CB-CG2 4.19Å; V129-V152 CarbonylContact O-C 3.53Å; V129-V152 WeakPolarHBondContact O-CA 3.47Å; V129-V153 PolarHBondContact N-O 2.98Å; V129-V153 PolarHBondContact O-N 3.45Å |
| 130 | L | 95.4 | Very high | 89 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 138.8 | 178.4 | -65.8 | -173.2 | 0 | 0 | 0 | 110.3 | Y28 A29 S31 S151 V152 M208 K212 F214 | Y28-L130 HydrophobicContact CD1-CD1 4.27Å; Y28-L130 HydrophobicContact CD1-CD2 3.64Å; Y28-L130 HydrophobicContact CD1-CG 3.99Å; Y28-L130 HydrophobicContact CE1-CD2 4.31Å; Y28-L130 HydrophobicContact CG-CD1 4.22Å; Y28-L130 HydrophobicContact CG-CD2 4.4Å; Y28-L130 HydrophobicContact CG-CG 4.36Å; A29-L130 PolarHBondContact O-N 3.22Å; S31-L130 VanDerWaalsContact CB-O 3.28Å; S31-L130 WeakPolarHBondContact CB-O 3.42Å; S31-L130 PolarHBondContact N-O 2.8Å; L130-S151 CarbonylContact C-O 3.52Å; L130-S151 WeakPolarHBondContact CA-O 3.33Å; L130-V152 HydrophobicContact CD2-CB 3.74Å; L130-V152 HydrophobicContact CD2-CG2 3.77Å; L130-M208 HydrophobicContact CB-CE 3.65Å; L130-M208 HydrophobicContact CD1-CB 4.04Å; L130-M208 HydrophobicContact CD1-CE 3.91Å; L130-M208 HydrophobicContact CD1-SD 4.41Å; L130-M208 HydrophobicContact CD2-CE 3.82Å; L130-M208 HydrophobicContact CD2-SD 3.88Å; L130-M208 HydrophobicContact CG-CE 4Å; L130-K212 HydrophobicContact CD1-CB 3.5Å; L130-K212 HydrophobicContact CD1-CG 3.87Å; L130-F214 HydrophobicContact CB-CE2 3.87Å; L130-F214 HydrophobicContact CB-CZ 4.02Å; L130-F214 WeakPolarHBondContact O-CZ 3.23Å |
| 131 | K | 94.9 | Very high | 89.1 | Confident | 59 Ų | 59 | 57.6 Ų | 57.6 | 26% | 0.257 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 144.7 | -179.4 | -74.6 | -175.8 | 161 | -174.3 | 0 | 111.7 | S31 D102 C150 S151 | S31-K131 WeakPolarHBondContact OG-CE 3.45Å; D102-K131 VanDerWaalsContact CG-CE 3.5Å; D102-K131 VanDerWaalsContact OD1-CD 3.26Å; D102-K131 WeakPolarHBondContact OD1-CD 3.28Å; D102-K131 WeakPolarHBondContact OD1-CE 3.43Å; D102-K131 IonicContact OD1-NZ 3.9Å; D102-K131 PolarHBondContact OD1-NZ 3.09Å; D102-K131 IonicContact OD2-NZ 3.41Å; D102-K131 PolarHBondContact OD2-NZ 3.14Å; K131-C150 CarbonylContact O-C 3.59Å; K131-C150 VanDerWaalsContact O-CA 3.3Å; K131-C150 WeakPolarHBondContact O-CA 3.34Å; K131-S151 PolarHBondContact N-O 2.78Å; K131-S151 PolarHBondContact O-N 2.77Å |
| 132 | G | 94.9 | Very high | 88.8 | Confident | 31 Ų | 31 | 54.7 Ų | 54.7 | 32% | 0.32 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 128.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | L149 F214 | G132-L149 CarbonylContact C-O 3.55Å; G132-L149 VanDerWaalsContact CA-O 3.29Å; G132-L149 WeakPolarHBondContact CA-O 3.28Å; G132-F214 VanDerWaalsContact N-CE1 3.3Å |
| 133 | S | 94.3 | Very high | 88.7 | Confident | 34 Ų | 34 | 54.7 Ų | 54.7 | 24% | 0.238 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 148.9 | 176.7 | 45.8 | 0 | 0 | 0 | 0 | 111.2 | F135 L149 | S133-F135 WeakPolarHBondContact OG-CE2 3.31Å; S133-F135 WeakPolarHBondContact OG-CZ 3.34Å; S133-L149 PolarHBondContact N-O 3.14Å; S133-L149 PolarHBondContact O-N 3.15Å |
| 134 | Q | 94.1 | Very high | 88.6 | Confident | 85 Ų | 85 | 56.4 Ų | 56.4 | 40% | 0.397 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 131 | -179 | 170 | 174.3 | -15.6 | 0 | 0 | 109 | A147 L148 F216 | Q134-A147 CarbonylContact C-O 3.6Å; Q134-A147 WeakPolarHBondContact CA-O 3.36Å; Q134-L148 HydrophobicContact CB-CD2 3.8Å; Q134-L148 HydrophobicContact CG-CD2 3.59Å; Q134-F216 HydrophobicContact CB-CD1 4.04Å |
| 135 | F | 91.6 | Very high | 88.3 | Confident | 106 Ų | 106 | 55.9 Ų | 55.9 | 47% | 0.465 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 151.7 | -179.8 | -48.2 | -82.8 | 0 | 0 | 0 | 110 | S133 A147 L149 | S133-F135 WeakPolarHBondContact OG-CE2 3.31Å; S133-F135 WeakPolarHBondContact OG-CZ 3.34Å; F135-A147 HydrophobicContact CB-CB 4.3Å; F135-A147 PolarHBondContact N-O 2.85Å; F135-A147 PolarHBondContact O-N 2.87Å; F135-L149 HydrophobicContact CE2-CB 4.07Å; F135-L149 HydrophobicContact CE2-CD2 4.11Å |
| 136 | S | 89.2 | Confident | 88.1 | Confident | 88 Ų | 88 | 57.1 Ų | 57.1 | 62% | 0.615 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 126.1 | 168.9 | -176.7 | 0 | 0 | 0 | 0 | 108.9 | ||
| 137 | V | 88.2 | Confident | 88 | Confident | 63 Ų | 63 | 56.1 Ų | 56.1 | 38% | 0.382 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 119.4 | -178.6 | -177.3 | 0 | 0 | 0 | 0 | 108 | S144 C145 A147 L186 | V137-S144 CarbonylContact O-C 3.58Å; V137-S144 WeakPolarHBondContact O-CA 3.35Å; V137-C145 PolarHBondContact N-O 3.17Å; V137-C145 PolarHBondContact O-N 2.76Å; V137-A147 HydrophobicContact CG2-CB 3.57Å; V137-L186 HydrophobicContact CB-CD1 4.4Å; V137-L186 HydrophobicContact CG2-CD1 4.31Å |
| 138 | K | 85.4 | Confident | 88 | Confident | 166 Ų | 166 | 56.1 Ų | 56.1 | 72% | 0.722 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 123.1 | 175 | -63.8 | -173.6 | 177.9 | -178.5 | 0 | 109 | ||
| 139 | S | 76.9 | Confident | 87.9 | Confident | 62 Ų | 62 | 58.1 Ų | 58.1 | 43% | 0.434 | 34% | 0.342 | S | S | . | . | trans | -76 | 142.5 | 166.9 | -176 | 0 | 0 | 0 | 0 | 109 | D141 G142 | S139-D141 PolarHBondContact O-N 2.81Å; S139-G142 PolarHBondContact O-N 2.85Å | ||
| 140 | P | 77.6 | Confident | 87.9 | Confident | 123 Ų | 123 | 58.1 Ų | 58.1 | 80% | 0.799 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -52.7 | -40.7 | -180 | -27.2 | 34.6 | 0 | 0 | 0 | 113.8 | ||
| 141 | D | 77.7 | Confident | 87.8 | Confident | 169 Ų | 169 | 59.2 Ų | 59.2 | 90% | 0.904 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -122.7 | 10.7 | -176.8 | -57.1 | -51 | 0 | 0 | 0 | 112.7 | S139 | S139-D141 PolarHBondContact O-N 2.81Š|
| 142 | G | 72.1 | Confident | 87.8 | Confident | 31 Ų | 31 | 56.7 Ų | 56.7 | 32% | 0.32 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -129.1 | 176.4 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | S139 | S139-G142 PolarHBondContact O-N 2.85Š|
| 143 | P | 75.8 | Confident | 87.8 | Confident | 50 Ų | 50 | 57 Ų | 57 | 33% | 0.325 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 155.3 | 179.9 | 25.7 | -33 | 0 | 0 | 0 | 112.4 | C145 P189 | P143-C145 PolarHBondContact O-N 3.38Å; P143-P189 HydrophobicContact CB-CG 3.59Å; P143-P189 HydrophobicContact CG-CG 4.23Å |
| 144 | S | 84.9 | Confident | 87.7 | Confident | 64 Ų | 64 | 57.1 Ų | 57.1 | 45% | 0.448 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 122.8 | 170.8 | -62.4 | 0 | 0 | 0 | 0 | 110 | V137 P189 | V137-S144 CarbonylContact O-C 3.58Å; V137-S144 WeakPolarHBondContact O-CA 3.35Å; S144-P189 VanDerWaalsContact O-CD 3.23Å; S144-P189 WeakPolarHBondContact O-CD 3.12Å |
| 145 | C | 86.6 | Confident | 87.4 | Confident | 10 Ų | 10 | 56.5 Ų | 56.5 | 7% | 0.068 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 155 | 177 | -53.7 | 0 | 0 | 0 | 0 | 110.8 | V137 P143 L186 V187 C188 | V137-C145 PolarHBondContact N-O 3.17Å; V137-C145 PolarHBondContact O-N 2.76Å; P143-C145 PolarHBondContact O-N 3.38Å; C145-L186 HydrophobicContact CB-CD1 3.76Å; C145-L186 HydrophobicContact CB-CG 4.15Å; C145-V187 CarbonylContact C-O 3.58Å; C145-V187 WeakPolarHBondContact CA-O 3.26Å; C145-C188 HydrophobicContact CB-CB 4.03Å; C145-C188 WeakPolarHBondContact CB-SG 3.49Å; C145-C188 WeakPolarHBondContact SG-CB 2.77Å; C145-C188 CovalentContact SG-SG 2.04Å; C145-C188 PolarHBondContact SG-SG 3.24Å |
| 146 | S | 90.1 | Very high | 87.1 | Confident | 30 Ų | 30 | 54.4 Ų | 54.4 | 21% | 0.21 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 125.2 | 170.7 | -63 | 0 | 0 | 0 | 0 | 110 | V187 | S146-V187 PolarHBondContact N-O 3.19Å; S146-V187 PolarHBondContact O-N 3.14Å |
| 147 | A | 92.3 | Very high | 86.7 | Confident | 7 Ų | 7 | 58.6 Ų | 58.6 | 6% | 0.058 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 116.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q134 F135 V137 L184 L186 | Q134-A147 CarbonylContact C-O 3.6Å; Q134-A147 WeakPolarHBondContact CA-O 3.36Å; F135-A147 HydrophobicContact CB-CB 4.3Å; F135-A147 PolarHBondContact N-O 2.85Å; F135-A147 PolarHBondContact O-N 2.87Å; V137-A147 HydrophobicContact CG2-CB 3.57Å; A147-L184 HydrophobicContact CB-CD1 4.05Å; A147-L186 HydrophobicContact CB-CD1 4.04Å |
| 148 | L | 94.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 121.8 | 179.8 | -53.8 | -178.2 | 0 | 0 | 0 | 108.9 | Q134 W163 L184 L185 I204 F216 L218 | Q134-L148 HydrophobicContact CB-CD2 3.8Å; Q134-L148 HydrophobicContact CG-CD2 3.59Å; L148-W163 HydrophobicContact CB-CH2 3.69Å; L148-W163 HydrophobicContact CB-CZ3 3.67Å; L148-W163 HydrophobicContact CD1-CZ3 4.2Å; L148-W163 VanDerWaalsContact O-CH2 3.29Å; L148-W163 WeakPolarHBondContact O-CH2 3.29Å; L148-L184 CarbonylContact O-C 3.57Å; L148-L184 WeakPolarHBondContact O-CA 3.39Å; L148-L185 HydrophobicContact CB-CB 4.34Å; L148-L185 HydrophobicContact CD1-CD2 4.18Å; L148-L185 PolarHBondContact N-O 3.24Å; L148-L185 PolarHBondContact O-N 2.73Å; L148-I204 HydrophobicContact CD1-CB 3.81Å; L148-I204 HydrophobicContact CD1-CD1 4.01Å; L148-I204 HydrophobicContact CD1-CG1 4.47Å; L148-I204 HydrophobicContact CD1-CG2 3.72Å; L148-F216 HydrophobicContact CB-CD2 4.21Å; L148-F216 HydrophobicContact CB-CE2 4.32Å; L148-F216 HydrophobicContact CB-CG 4.42Å; L148-F216 HydrophobicContact CD1-CB 3.84Å; L148-F216 HydrophobicContact CD1-CD2 3.92Å; L148-F216 HydrophobicContact CD1-CG 4.02Å; L148-F216 HydrophobicContact CD2-CB 3.69Å; L148-F216 HydrophobicContact CD2-CD1 3.96Å; L148-F216 HydrophobicContact CD2-CD2 4.32Å; L148-F216 HydrophobicContact CD2-CG 3.73Å; L148-F216 HydrophobicContact CG-CB 4.36Å; L148-F216 HydrophobicContact CG-CD2 4.38Å; L148-F216 HydrophobicContact CG-CG 4.27Å; L148-L218 HydrophobicContact CD1-CD2 4.46Å; L148-L218 HydrophobicContact CD2-CD2 4.1Å |
| 149 | L | 94.3 | Very high | 85.8 | Confident | 42 Ų | 42 | 56.5 Ų | 56.5 | 22% | 0.22 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 126.7 | -175.8 | 178.2 | 66.3 | 0 | 0 | 0 | 109.7 | G132 S133 F135 A182 L184 | G132-L149 CarbonylContact C-O 3.55Å; G132-L149 VanDerWaalsContact CA-O 3.29Å; G132-L149 WeakPolarHBondContact CA-O 3.28Å; S133-L149 PolarHBondContact N-O 3.14Å; S133-L149 PolarHBondContact O-N 3.15Å; F135-L149 HydrophobicContact CE2-CB 4.07Å; F135-L149 HydrophobicContact CE2-CD2 4.11Å; L149-A182 HydrophobicContact CD1-CB 4.06Å; L149-L184 HydrophobicContact CB-CD1 4.28Å; L149-L184 HydrophobicContact CD1-CB 4.17Å; L149-L184 HydrophobicContact CD1-CD1 4.47Å |
| 150 | C | 94.7 | Very high | 85.8 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 128.4 | 163.5 | -92.9 | 0 | 0 | 0 | 0 | 108.9 | K131 W163 A182 A183 C206 M208 | K131-C150 CarbonylContact O-C 3.59Å; K131-C150 VanDerWaalsContact O-CA 3.3Å; K131-C150 WeakPolarHBondContact O-CA 3.34Å; C150-W163 HydrophobicContact CB-CH2 4.46Å; C150-W163 HydrophobicContact CB-CZ2 4.39Å; C150-A182 CarbonylContact O-C 3.6Å; C150-A182 VanDerWaalsContact O-CA 3.31Å; C150-A182 WeakPolarHBondContact O-CA 3.42Å; C150-A183 HydrophobicContact CB-CB 4.49Å; C150-A183 PolarHBondContact N-O 3Å; C150-A183 PolarHBondContact O-N 2.83Å; C150-C206 HydrophobicContact CB-CB 4.16Å; C150-C206 WeakPolarHBondContact CB-SG 3.38Å; C150-C206 WeakPolarHBondContact SG-CB 3.37Å; C150-C206 CovalentContact SG-SG 2.02Å; C150-C206 PolarHBondContact SG-SG 3.09Å; C150-M208 HydrophobicContact CB-CE 4.05Å; C150-M208 HydrophobicContact CB-CG 4.48Å; C150-M208 HydrophobicContact CB-SD 3.91Å |
| 151 | S | 94.3 | Very high | 86.3 | Confident | 24 Ų | 24 | 51.9 Ų | 51.9 | 17% | 0.168 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 164.1 | 179.1 | 61.6 | 0 | 0 | 0 | 0 | 112.7 | L130 K131 G181 | L130-S151 CarbonylContact C-O 3.52Å; L130-S151 WeakPolarHBondContact CA-O 3.33Å; K131-S151 PolarHBondContact N-O 2.78Å; K131-S151 PolarHBondContact O-N 2.77Å; S151-G181 CarbonylContact C-O 3.52Å; S151-G181 WeakPolarHBondContact CA-O 3.34Å; S151-G181 WeakPolarHBondContact CB-O 3.26Å |
| 152 | V | 94.1 | Very high | 86.9 | Confident | 5 Ų | 5 | 47.1 Ų | 47.1 | 3% | 0.03 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 140.2 | 175.4 | 61.6 | 0 | 0 | 0 | 0 | 110.6 | Y28 S128 V129 L130 P154 L158 G181 | Y28-V152 HydrophobicContact CD1-CG2 4.33Å; Y28-V152 HydrophobicContact CE1-CG2 4.15Å; S128-V152 VanDerWaalsContact CB-CG2 3.48Å; V129-V152 CarbonylContact O-C 3.53Å; V129-V152 WeakPolarHBondContact O-CA 3.47Å; L130-V152 HydrophobicContact CD2-CB 3.74Å; L130-V152 HydrophobicContact CD2-CG2 3.77Å; V152-P154 CarbonylContact C-O 3.56Å; V152-P154 CarbonylContact O-C 3.54Å; V152-L158 HydrophobicContact CB-CD1 4.41Å; V152-L158 HydrophobicContact CB-CD2 4.14Å; V152-L158 HydrophobicContact CG1-CD1 3.87Å; V152-L158 HydrophobicContact CG1-CD2 3.75Å; V152-L158 HydrophobicContact CG1-CG 3.77Å; V152-G181 VanDerWaalsContact CG1-CA 3.49Å; V152-G181 PolarHBondContact N-O 2.83Å |
| 153 | V | 93.9 | Very high | 87.9 | Confident | 39 Ų | 39 | 46 Ų | 46 | 24% | 0.236 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 132.9 | 176.1 | -179.3 | 0 | 0 | 0 | 0 | 109.8 | D102 A105 S128 V129 | D102-V153 HydrophobicContact CB-CG1 4.07Å; D102-V153 WeakPolarHBondContact OD1-CG2 3.42Å; A105-V153 HydrophobicContact CB-CG1 4.13Å; A105-V153 VanDerWaalsContact CB-O 3.23Å; A105-V153 WeakPolarHBondContact CB-O 2.95Å; S128-V153 CarbonylContact C-O 3.45Å; S128-V153 WeakPolarHBondContact CA-O 3.2Å; V129-V153 PolarHBondContact N-O 2.98Å; V129-V153 PolarHBondContact O-N 3.45Å |
| 154 | P | 92.2 | Very high | 88.7 | Confident | 36 Ų | 36 | 45.2 Ų | 45.2 | 23% | 0.234 | 26% | 0.256 | C | S | . | . | S | Bend | cis | -59.9 | 160.8 | -12.9 | 31.1 | -38.1 | 0 | 0 | 0 | 111 | A58 V152 R156 | A58-P154 HydrophobicContact CB-CB 4.05Å; A58-P154 HydrophobicContact CB-CG 3.94Å; V152-P154 CarbonylContact C-O 3.56Å; V152-P154 CarbonylContact O-C 3.54Å; P154-R156 VanDerWaalsContact CG-CZ 3.47Å; P154-R156 WeakPolarHBondContact O-CG 3.25Å; P154-R156 PolarHBondContact O-N 3.22Å |
| 155 | A | 89.6 | Confident | 89 | Confident | 72 Ų | 72 | 44 Ų | 44 | 60% | 0.595 | 24% | 0.243 | S | C | * | . | trans | -60.3 | 124.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 156 | R | 84.6 | Confident | 88.9 | Confident | 62 Ų | 62 | 45.2 Ų | 45.2 | 23% | 0.234 | 26% | 0.257 | C | S | . | . | trans | -143.4 | 159.1 | 176.2 | -17.9 | -174.9 | 177 | -119.7 | 8.8 | 108.9 | V127 S128 P154 L158 G181 | V127-R156 PolarHBondContact O-NH2 2.98Å; S128-R156 PolarHBondContact OG-NE 3.25Å; S128-R156 PolarHBondContact OG-NH2 3.26Å; P154-R156 VanDerWaalsContact CG-CZ 3.47Å; P154-R156 WeakPolarHBondContact O-CG 3.25Å; P154-R156 PolarHBondContact O-N 3.22Å; R156-L158 PolarHBondContact O-N 3.5Å; R156-G181 WeakPolarHBondContact O-CA 3.33Å; R156-G181 PolarHBondContact O-N 2.95Å | ||
| 157 | R | 81.6 | Confident | 88.7 | Confident | 176 Ų | 176 | 55.1 Ų | 55.1 | 66% | 0.664 | 29% | 0.29 | S | S | * | . | trans | -57.5 | 131.6 | 171.1 | -67.6 | -169.8 | 174.3 | -179.5 | -0.3 | 110.9 | E180 | R157-E180 WeakPolarHBondContact CG-OE1 3.07Å; R157-E180 WeakPolarHBondContact CG-OE2 3.06Å; R157-E180 IonicContact CZ-OE1 3.22Å; R157-E180 IonicContact NE-OE1 3.87Å; R157-E180 PolarHBondContact NE-OE1 2.58Å; R157-E180 IonicContact NE-OE2 2.95Å; R157-E180 IonicContact NH2-OE1 3.34Å; R157-E180 PolarHBondContact NH2-OE1 2.84Å | ||
| 158 | L | 79.6 | Confident | 88.4 | Confident | 31 Ų | 31 | 58.2 Ų | 58.2 | 16% | 0.162 | 31% | 0.306 | C | S | . | . | trans | -105.7 | 102.3 | 173 | -69.3 | 172.1 | 0 | 0 | 0 | 107.3 | Y28 V152 R156 S160 V161 M208 P209 | Y28-L158 HydrophobicContact CE1-CD2 4.42Å; V152-L158 HydrophobicContact CB-CD1 4.41Å; V152-L158 HydrophobicContact CB-CD2 4.14Å; V152-L158 HydrophobicContact CG1-CD1 3.87Å; V152-L158 HydrophobicContact CG1-CD2 3.75Å; V152-L158 HydrophobicContact CG1-CG 3.77Å; R156-L158 PolarHBondContact O-N 3.5Å; L158-S160 PolarHBondContact O-N 3.32Å; L158-V161 HydrophobicContact CB-CG2 3.76Å; L158-V161 HydrophobicContact CD1-CG2 3.87Å; L158-V161 HydrophobicContact CG-CG2 4.37Å; L158-M208 HydrophobicContact CD1-SD 4.28Å; L158-P209 HydrophobicContact CD2-CG 4.05Å | ||
| 159 | D | 73.3 | Confident | 88 | Confident | 154 Ų | 154 | 62.6 Ų | 62.6 | 82% | 0.824 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -70.4 | -17.4 | -172.6 | -59.3 | -36.9 | 0 | 0 | 0 | 113.5 | ||
| 160 | S | 77.8 | Confident | 87.7 | Confident | 70 Ų | 70 | 61 Ų | 61 | 49% | 0.49 | 33% | 0.326 | S | S | . | . | trans | -149.9 | 100.2 | -179.5 | 51 | 0 | 0 | 0 | 0 | 111.5 | L158 | L158-S160 PolarHBondContact O-N 3.32Š| ||
| 161 | V | 88.6 | Confident | 87 | Confident | 17 Ų | 17 | 68.5 Ų | 68.5 | 10% | 0.103 | 35% | 0.354 | C | S | . | . | trans | -121.9 | 127.7 | 166.8 | -180 | 0 | 0 | 0 | 0 | 109.2 | L158 W178 A183 L207 M208 | L158-V161 HydrophobicContact CB-CG2 3.76Å; L158-V161 HydrophobicContact CD1-CG2 3.87Å; L158-V161 HydrophobicContact CG-CG2 4.37Å; V161-W178 HydrophobicContact CB-CE3 4.39Å; V161-W178 HydrophobicContact CB-CZ3 3.72Å; V161-W178 HydrophobicContact CG1-CZ3 3.92Å; V161-W178 WeakPolarHBondContact O-CH2 2.83Å; V161-W178 WeakPolarHBondContact O-CZ3 3.47Å; V161-A183 HydrophobicContact CB-CB 4.09Å; V161-A183 HydrophobicContact CG1-CB 3.59Å; V161-A183 HydrophobicContact CG2-CB 4.4Å; V161-L207 VanDerWaalsContact CA-O 3.25Å; V161-L207 WeakPolarHBondContact CA-O 2.93Å; V161-M208 HydrophobicContact CG2-CG 4.31Å | ||
| 162 | T | 90.3 | Very high | 86 | Confident | 70 Ų | 70 | 70.6 Ų | 70.6 | 43% | 0.429 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 133.3 | -177.8 | -53.6 | 0 | 0 | 0 | 0 | 110.8 | L164 L207 | T162-L164 HydrophobicContact CG2-CD2 3.95Å; T162-L164 HydrophobicContact CG2-CG 4.16Å; T162-L207 PolarHBondContact N-O 2.99Å; T162-L207 PolarHBondContact O-N 3.34Å |
| 163 | W | 92.6 | Very high | 84.9 | Confident | 6 Ų | 6 | 76.3 Ų | 76.3 | 2% | 0.023 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 126.9 | 175.9 | -66.4 | 97.3 | 0 | 0 | 0 | 110.8 | L148 C150 V170 Y176 W178 A183 L185 I204 R205 C206 F216 | L148-W163 HydrophobicContact CB-CH2 3.69Å; L148-W163 HydrophobicContact CB-CZ3 3.67Å; L148-W163 HydrophobicContact CD1-CZ3 4.2Å; L148-W163 VanDerWaalsContact O-CH2 3.29Å; L148-W163 WeakPolarHBondContact O-CH2 3.29Å; C150-W163 HydrophobicContact CB-CH2 4.46Å; C150-W163 HydrophobicContact CB-CZ2 4.39Å; W163-V170 HydrophobicContact CB-CG2 3.85Å; W163-Y176 HydrophobicContact CB-CE1 3.99Å; W163-Y176 AromaticContact CD1-CD1 3.71Å; W163-Y176 AromaticContact CD1-CE1 3.97Å; W163-Y176 HydrophobicContact CG-CD1 4.35Å; W163-Y176 HydrophobicContact CG-CE1 4.2Å; W163-W178 AromaticContact CD1-CH2 3.78Å; W163-W178 AromaticContact NE1-CH2 4Å; W163-A183 HydrophobicContact CZ2-CB 4.34Å; W163-A183 WeakPolarHBondContact CZ2-O 3.2Å; W163-L185 HydrophobicContact CB-CD2 4.12Å; W163-L185 HydrophobicContact CD2-CB 3.64Å; W163-L185 HydrophobicContact CD2-CD2 3.65Å; W163-L185 HydrophobicContact CD2-CG 4.24Å; W163-L185 HydrophobicContact CE3-CB 3.89Å; W163-L185 HydrophobicContact CE3-CD2 3.42Å; W163-L185 VanDerWaalsContact CE3-CD2 3.42Å; W163-L185 HydrophobicContact CE3-CG 4.3Å; W163-L185 HydrophobicContact CG-CB 4.21Å; W163-L185 HydrophobicContact CG-CD2 3.96Å; W163-L185 HydrophobicContact CH2-CB 3.94Å; W163-L185 HydrophobicContact CZ2-CB 3.71Å; W163-L185 HydrophobicContact CZ3-CB 4Å; W163-L185 HydrophobicContact CZ3-CD2 4.02Å; W163-I204 HydrophobicContact CE3-CG2 3.88Å; W163-I204 HydrophobicContact CZ3-CG2 4.34Å; W163-R205 CarbonylContact C-O 3.53Å; W163-R205 WeakPolarHBondContact CA-O 3.43Å; W163-C206 HydrophobicContact CD2-CB 4.28Å; W163-C206 HydrophobicContact CE3-CB 3.79Å; W163-C206 HydrophobicContact CH2-CB 3.82Å; W163-C206 HydrophobicContact CZ2-CB 4.28Å; W163-C206 HydrophobicContact CZ3-CB 3.57Å; W163-F216 HydrophobicContact CH2-CE2 4.06Å; W163-F216 HydrophobicContact CZ3-CD2 4.02Å; W163-F216 AromaticContact CZ3-CE2 3.68Å; W163-F216 HydrophobicContact CZ3-CE2 3.68Å |
| 164 | L | 92.2 | Very high | 84.1 | Confident | 34 Ų | 34 | 75.5 Ų | 75.5 | 18% | 0.178 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 139.7 | -176.6 | -62.5 | 178.3 | 0 | 0 | 0 | 111.8 | T162 N168 I204 R205 L207 | T162-L164 HydrophobicContact CG2-CD2 3.95Å; T162-L164 HydrophobicContact CG2-CG 4.16Å; L164-N168 CarbonylContact C-O 3.58Å; L164-N168 VanDerWaalsContact CA-O 3.32Å; L164-N168 WeakPolarHBondContact CA-O 3.3Å; L164-I204 CarbonylContact O-C 3.58Å; L164-I204 WeakPolarHBondContact O-CA 3.31Å; L164-R205 PolarHBondContact N-O 2.83Å; L164-R205 PolarHBondContact O-N 3.25Å; L164-L207 HydrophobicContact CD1-CD1 3.38Å; L164-L207 HydrophobicContact CD1-CG 3.96Å; L164-L207 HydrophobicContact CG-CD1 4.31Å |
| 165 | E | 90.8 | Very high | 83.4 | Confident | 40 Ų | 40 | 78.8 Ų | 78.8 | 19% | 0.187 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 104.2 | 164.2 | -175.6 | 172.9 | -158.7 | 0 | 0 | 108.5 | R167 N168 V170 R171 R202 | E165-R167 PolarHBondContact O-N 3.31Å; E165-R167 VanDerWaalsContact O-N 3.15Å; E165-N168 PolarHBondContact N-O 2.87Å; E165-N168 PolarHBondContact O-N 2.74Å; E165-N168 VanDerWaalsContact O-N 3.17Å; E165-V170 HydrophobicContact CB-CG2 4.42Å; E165-R171 PolarHBondContact OE2-N 2.97Å; E165-R202 VanDerWaalsContact CD-NH2 3.35Å; E165-R202 IonicContact OE1-CZ 3.13Å; E165-R202 IonicContact OE1-NE 2.76Å; E165-R202 PolarHBondContact OE1-NE 3.23Å; E165-R202 IonicContact OE1-NH2 4Å; E165-R202 PolarHBondContact OE1-NH2 3.05Å; E165-R202 IonicContact OE2-CZ 3.53Å; E165-R202 IonicContact OE2-NE 2.81Å; E165-R202 IonicContact OE2-NH2 2.95Å; E165-R202 PolarHBondContact OE2-NH2 2.83Å |
| 166 | G | 85.8 | Confident | 83 | Confident | 34 Ų | 34 | 79.8 Ų | 79.8 | 35% | 0.351 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | -108 | -168.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 167 | R | 85.5 | Confident | 82.6 | Confident | 238 Ų | 238 | 81.4 Ų | 81.4 | 90% | 0.898 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110 | -6.5 | 175.2 | -67 | -176.7 | -175.6 | -104.9 | 2.4 | 113.2 | E165 | E165-R167 PolarHBondContact O-N 3.31Å; E165-R167 VanDerWaalsContact O-N 3.15Å |
| 168 | N | 86.4 | Confident | 82.4 | Confident | 73 Ų | 73 | 80.1 Ų | 80.1 | 39% | 0.39 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 160 | -173.9 | -59.6 | -62.1 | 0 | 0 | 0 | 109.7 | L164 E165 R171 | L164-N168 CarbonylContact C-O 3.58Å; L164-N168 VanDerWaalsContact CA-O 3.32Å; L164-N168 WeakPolarHBondContact CA-O 3.3Å; E165-N168 PolarHBondContact N-O 2.87Å; E165-N168 PolarHBondContact O-N 2.74Å; E165-N168 VanDerWaalsContact O-N 3.17Å; N168-R171 PolarHBondContact ND2-NH2 2.75Å |
| 169 | P | 86.7 | Confident | 82.2 | Confident | 91 Ų | 91 | 81 Ų | 81 | 59% | 0.591 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -53.6 | 153.2 | 164.2 | -23.2 | 34.1 | 0 | 0 | 0 | 111.4 | R171 | P169-R171 PolarHBondContact O-N 3.32Å |
| 170 | V | 87.7 | Confident | 82.5 | Confident | 10 Ų | 10 | 78.9 Ų | 78.9 | 6% | 0.061 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 128 | 179 | 179.3 | 0 | 0 | 0 | 0 | 109.8 | W163 E165 A174 Y176 L185 V187 I204 | W163-V170 HydrophobicContact CB-CG2 3.85Å; E165-V170 HydrophobicContact CB-CG2 4.42Å; V170-A174 HydrophobicContact CG1-CB 4.11Å; V170-Y176 PolarHBondContact O-OH 3.46Å; V170-L185 HydrophobicContact CB-CD2 4.39Å; V170-L185 HydrophobicContact CG1-CD2 4.23Å; V170-L185 HydrophobicContact CG2-CD2 3.85Å; V170-V187 HydrophobicContact CG1-CG2 4.41Å; V170-I204 HydrophobicContact CG1-CD1 3.92Å; V170-I204 HydrophobicContact CG2-CD1 4.43Å; V170-I204 HydrophobicContact CG2-CG2 3.77Å |
| 171 | R | 79.8 | Confident | 82.8 | Confident | 156 Ų | 156 | 75.7 Ų | 75.7 | 59% | 0.589 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -93.4 | 155 | -177.3 | -56.5 | -178.3 | -172 | -177 | 0.8 | 111.6 | E165 N168 P169 R202 | E165-R171 PolarHBondContact OE2-N 2.97Å; N168-R171 PolarHBondContact ND2-NH2 2.75Å; P169-R171 PolarHBondContact O-N 3.32Å; R171-R202 PolarHBondContact O-NH2 2.8Å |
| 172 | G | 72.8 | Confident | 83 | Confident | 68 Ų | 68 | 76.5 Ų | 76.5 | 70% | 0.701 | 40% | 0.396 | S | S | * | . | S | Bend | trans | 94.5 | -155.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A174 | G172-A174 VanDerWaalsContact C-N 3.27Å; G172-A174 PolarHBondContact O-N 2.69Å |
| 173 | H | 71.8 | Confident | 83.1 | Confident | 126 Ų | 126 | 73.2 Ų | 73.2 | 58% | 0.583 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -76.1 | 78.2 | 177.3 | -62.7 | 96.8 | 0 | 0 | 0 | 110.4 | C188 | H173-C188 PolarHBondContact O-N 2.88Š|
| 174 | A | 75.7 | Confident | 83.1 | Confident | 21 Ų | 21 | 75.6 Ų | 75.6 | 17% | 0.174 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 128.2 | 178 | 0 | 0 | 0 | 0 | 0 | 110.4 | V170 G172 Y176 L185 L186 | V170-A174 HydrophobicContact CG1-CB 4.11Å; G172-A174 VanDerWaalsContact C-N 3.27Å; G172-A174 PolarHBondContact O-N 2.69Å; A174-Y176 HydrophobicContact CB-CE2 4.15Å; A174-L185 HydrophobicContact CB-CD1 3.79Å; A174-L186 VanDerWaalsContact CA-O 3.3Å; A174-L186 WeakPolarHBondContact CA-O 3.35Å |
| 175 | Q | 78.6 | Confident | 83.1 | Confident | 105 Ų | 105 | 74 Ų | 74 | 49% | 0.491 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 134.7 | 172.2 | -58.4 | 179.6 | 29.1 | 0 | 0 | 110 | F177 L185 L186 | Q175-F177 HydrophobicContact CB-CE2 3.68Å; Q175-F177 HydrophobicContact CB-CZ 4.02Å; Q175-L185 WeakPolarHBondContact O-CA 3.23Å; Q175-L186 HydrophobicContact CB-CB 4.27Å; Q175-L186 PolarHBondContact N-O 2.72Å; Q175-L186 PolarHBondContact O-N 2.02Å |
| 176 | Y | 81.9 | Confident | 83.1 | Confident | 94 Ų | 94 | 73.5 Ų | 73.5 | 37% | 0.369 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 125.1 | -175.6 | -54.7 | -89.9 | 0 | 0 | 0 | 109.7 | W163 V170 A174 W178 L185 | W163-Y176 HydrophobicContact CB-CE1 3.99Å; W163-Y176 AromaticContact CD1-CD1 3.71Å; W163-Y176 AromaticContact CD1-CE1 3.97Å; W163-Y176 HydrophobicContact CG-CD1 4.35Å; W163-Y176 HydrophobicContact CG-CE1 4.2Å; V170-Y176 PolarHBondContact O-OH 3.46Å; A174-Y176 HydrophobicContact CB-CE2 4.15Å; Y176-W178 HydrophobicContact CD1-CZ2 4.22Å; Y176-W178 HydrophobicContact CG-CZ2 4.37Å; Y176-L185 HydrophobicContact CD1-CD1 3.94Å; Y176-L185 HydrophobicContact CE1-CD1 3.71Å |
| 177 | F | 75.9 | Confident | 83.3 | Confident | 96 Ų | 96 | 72.2 Ų | 72.2 | 42% | 0.421 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 140.2 | 174.5 | -50.9 | -96.1 | 0 | 0 | 0 | 109.2 | Q175 A183 L184 L186 | Q175-F177 HydrophobicContact CB-CE2 3.68Å; Q175-F177 HydrophobicContact CB-CZ 4.02Å; F177-A183 CarbonylContact O-C 3.56Å; F177-A183 WeakPolarHBondContact O-CA 3.29Å; F177-L184 HydrophobicContact CB-CB 4.16Å; F177-L184 HydrophobicContact CB-CD2 4.44Å; F177-L184 HydrophobicContact CD2-CB 4.42Å; F177-L184 HydrophobicContact CD2-CD2 3.87Å; F177-L184 HydrophobicContact CD2-CG 4.12Å; F177-L184 HydrophobicContact CE2-CD2 4.5Å; F177-L184 HydrophobicContact CG-CD2 4.33Å; F177-L184 PolarHBondContact N-O 2.84Å; F177-L184 PolarHBondContact O-N 3.45Å; F177-L186 HydrophobicContact CE2-CB 4.36Å |
| 178 | W | 77.4 | Confident | 83.2 | Confident | 149 Ų | 149 | 62.2 Ų | 62.2 | 56% | 0.564 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 135.7 | -178.8 | -39.6 | 92.1 | 0 | 0 | 0 | 108.4 | V161 W163 Y176 A183 | V161-W178 HydrophobicContact CB-CE3 4.39Å; V161-W178 HydrophobicContact CB-CZ3 3.72Å; V161-W178 HydrophobicContact CG1-CZ3 3.92Å; V161-W178 WeakPolarHBondContact O-CH2 2.83Å; V161-W178 WeakPolarHBondContact O-CZ3 3.47Å; W163-W178 AromaticContact CD1-CH2 3.78Å; W163-W178 AromaticContact NE1-CH2 4Å; Y176-W178 HydrophobicContact CD1-CZ2 4.22Å; Y176-W178 HydrophobicContact CG-CZ2 4.37Å; W178-A183 HydrophobicContact CE3-CB 3.56Å; W178-A183 HydrophobicContact CZ3-CB 3.64Å |
| 179 | G | 74.2 | Confident | 82.7 | Confident | 49 Ų | 49 | 61.8 Ų | 61.8 | 51% | 0.505 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 177 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | G181 A182 | G179-G181 PolarHBondContact O-N 2.85Å; G179-A182 PolarHBondContact N-O 2.83Å; G179-A182 PolarHBondContact O-N 2.89Å |
| 180 | E | 80.8 | Confident | 81.6 | Confident | 110 Ų | 110 | 60.2 Ų | 60.2 | 51% | 0.514 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 106.2 | 172.7 | -71 | -69.8 | 160.7 | 0 | 0 | 109.1 | R157 | R157-E180 WeakPolarHBondContact CG-OE1 3.07Å; R157-E180 WeakPolarHBondContact CG-OE2 3.06Å; R157-E180 IonicContact CZ-OE1 3.22Å; R157-E180 IonicContact NE-OE1 3.87Å; R157-E180 PolarHBondContact NE-OE1 2.58Å; R157-E180 IonicContact NE-OE2 2.95Å; R157-E180 IonicContact NH2-OE1 3.34Å; R157-E180 PolarHBondContact NH2-OE1 2.84Å |
| 181 | G | 84.1 | Confident | 80 | Confident | 3 Ų | 3 | 67.8 Ų | 67.8 | 3% | 0.031 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | 9 | 178 | 0 | 0 | 0 | 0 | 0 | 117 | S151 V152 R156 G179 | S151-G181 CarbonylContact C-O 3.52Å; S151-G181 WeakPolarHBondContact CA-O 3.34Å; S151-G181 WeakPolarHBondContact CB-O 3.26Å; V152-G181 VanDerWaalsContact CG1-CA 3.49Å; V152-G181 PolarHBondContact N-O 2.83Å; R156-G181 WeakPolarHBondContact O-CA 3.33Å; R156-G181 PolarHBondContact O-N 2.95Å; G179-G181 PolarHBondContact O-N 2.85Å |
| 182 | A | 91.4 | Very high | 78.6 | Confident | 33 Ų | 33 | 64.2 Ų | 64.2 | 27% | 0.273 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 146.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L149 C150 G179 | L149-A182 HydrophobicContact CD1-CB 4.06Å; C150-A182 CarbonylContact O-C 3.6Å; C150-A182 VanDerWaalsContact O-CA 3.31Å; C150-A182 WeakPolarHBondContact O-CA 3.42Å; G179-A182 PolarHBondContact N-O 2.83Å; G179-A182 PolarHBondContact O-N 2.89Å |
| 183 | A | 92.5 | Very high | 77.3 | Confident | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.008 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 127.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | C150 V161 W163 F177 W178 | C150-A183 HydrophobicContact CB-CB 4.49Å; C150-A183 PolarHBondContact N-O 3Å; C150-A183 PolarHBondContact O-N 2.83Å; V161-A183 HydrophobicContact CB-CB 4.09Å; V161-A183 HydrophobicContact CG1-CB 3.59Å; V161-A183 HydrophobicContact CG2-CB 4.4Å; W163-A183 HydrophobicContact CZ2-CB 4.34Å; W163-A183 WeakPolarHBondContact CZ2-O 3.2Å; F177-A183 CarbonylContact O-C 3.56Å; F177-A183 WeakPolarHBondContact O-CA 3.29Å; W178-A183 HydrophobicContact CE3-CB 3.56Å; W178-A183 HydrophobicContact CZ3-CB 3.64Å |
| 184 | L | 92.8 | Very high | 75.9 | Confident | 56 Ų | 56 | 66 Ų | 66 | 29% | 0.293 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 133.4 | -179.2 | 171.4 | 74.7 | 0 | 0 | 0 | 109.4 | A147 L148 L149 F177 | A147-L184 HydrophobicContact CB-CD1 4.05Å; L148-L184 CarbonylContact O-C 3.57Å; L148-L184 WeakPolarHBondContact O-CA 3.39Å; L149-L184 HydrophobicContact CB-CD1 4.28Å; L149-L184 HydrophobicContact CD1-CB 4.17Å; L149-L184 HydrophobicContact CD1-CD1 4.47Å; F177-L184 HydrophobicContact CB-CB 4.16Å; F177-L184 HydrophobicContact CB-CD2 4.44Å; F177-L184 HydrophobicContact CD2-CB 4.42Å; F177-L184 HydrophobicContact CD2-CD2 3.87Å; F177-L184 HydrophobicContact CD2-CG 4.12Å; F177-L184 HydrophobicContact CE2-CD2 4.5Å; F177-L184 HydrophobicContact CG-CD2 4.33Å; F177-L184 PolarHBondContact N-O 2.84Å; F177-L184 PolarHBondContact O-N 3.45Å |
| 185 | L | 92.9 | Very high | 74.6 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 118.8 | 173.7 | 170.7 | 67.6 | 0 | 0 | 0 | 109.3 | L148 W163 V170 A174 Q175 Y176 V187 I204 | L148-L185 HydrophobicContact CB-CB 4.34Å; L148-L185 HydrophobicContact CD1-CD2 4.18Å; L148-L185 PolarHBondContact N-O 3.24Å; L148-L185 PolarHBondContact O-N 2.73Å; W163-L185 HydrophobicContact CB-CD2 4.12Å; W163-L185 HydrophobicContact CD2-CB 3.64Å; W163-L185 HydrophobicContact CD2-CD2 3.65Å; W163-L185 HydrophobicContact CD2-CG 4.24Å; W163-L185 HydrophobicContact CE3-CB 3.89Å; W163-L185 HydrophobicContact CE3-CD2 3.42Å; W163-L185 VanDerWaalsContact CE3-CD2 3.42Å; W163-L185 HydrophobicContact CE3-CG 4.3Å; W163-L185 HydrophobicContact CG-CB 4.21Å; W163-L185 HydrophobicContact CG-CD2 3.96Å; W163-L185 HydrophobicContact CH2-CB 3.94Å; W163-L185 HydrophobicContact CZ2-CB 3.71Å; W163-L185 HydrophobicContact CZ3-CB 4Å; W163-L185 HydrophobicContact CZ3-CD2 4.02Å; V170-L185 HydrophobicContact CB-CD2 4.39Å; V170-L185 HydrophobicContact CG1-CD2 4.23Å; V170-L185 HydrophobicContact CG2-CD2 3.85Å; A174-L185 HydrophobicContact CB-CD1 3.79Å; Q175-L185 WeakPolarHBondContact O-CA 3.23Å; Y176-L185 HydrophobicContact CD1-CD1 3.94Å; Y176-L185 HydrophobicContact CE1-CD1 3.71Å; L185-V187 HydrophobicContact CD1-CG2 4.19Å; L185-V187 HydrophobicContact CD2-CG2 3.93Å; L185-V187 HydrophobicContact CG-CG2 3.76Å; L185-I204 HydrophobicContact CD2-CD1 4.36Å; L185-I204 HydrophobicContact CD2-CG2 3.73Å |
| 186 | L | 91.1 | Very high | 73 | Confident | 31 Ų | 31 | 69.5 Ų | 69.5 | 16% | 0.162 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 125.3 | 171.6 | -171 | 70.6 | 0 | 0 | 0 | 109.4 | V137 C145 A147 A174 Q175 F177 | V137-L186 HydrophobicContact CB-CD1 4.4Å; V137-L186 HydrophobicContact CG2-CD1 4.31Å; C145-L186 HydrophobicContact CB-CD1 3.76Å; C145-L186 HydrophobicContact CB-CG 4.15Å; A147-L186 HydrophobicContact CB-CD1 4.04Å; A174-L186 VanDerWaalsContact CA-O 3.3Å; A174-L186 WeakPolarHBondContact CA-O 3.35Å; Q175-L186 HydrophobicContact CB-CB 4.27Å; Q175-L186 PolarHBondContact N-O 2.72Å; Q175-L186 PolarHBondContact O-N 2.02Å; F177-L186 HydrophobicContact CE2-CB 4.36Å |
| 187 | V | 88.1 | Confident | 71.3 | Confident | 7 Ų | 7 | 75.6 Ų | 75.6 | 4% | 0.042 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 115 | 178.3 | -173.4 | 0 | 0 | 0 | 0 | 109.3 | C145 S146 V170 L185 I204 L218 | C145-V187 CarbonylContact C-O 3.58Å; C145-V187 WeakPolarHBondContact CA-O 3.26Å; S146-V187 PolarHBondContact N-O 3.19Å; S146-V187 PolarHBondContact O-N 3.14Å; V170-V187 HydrophobicContact CG1-CG2 4.41Å; L185-V187 HydrophobicContact CD1-CG2 4.19Å; L185-V187 HydrophobicContact CD2-CG2 3.93Å; L185-V187 HydrophobicContact CG-CG2 3.76Å; V187-I204 HydrophobicContact CG2-CD1 3.8Å; V187-L218 HydrophobicContact CB-CD1 4.22Å; V187-L218 HydrophobicContact CG1-CD1 4.04Å |
| 188 | C | 83.9 | Confident | 70.1 | Confident | 27 Ų | 27 | 75.4 Ų | 75.4 | 18% | 0.182 | 44% | 0.444 | C | S | . | . | trans | -104.9 | 146.7 | 176.3 | -58.1 | 0 | 0 | 0 | 0 | 110.6 | C145 H173 | C145-C188 HydrophobicContact CB-CB 4.03Å; C145-C188 WeakPolarHBondContact CB-SG 3.49Å; C145-C188 WeakPolarHBondContact SG-CB 2.77Å; C145-C188 CovalentContact SG-SG 2.04Å; C145-C188 PolarHBondContact SG-SG 3.24Å; H173-C188 PolarHBondContact O-N 2.88Å | ||
| 189 | P | 76.4 | Confident | 69.4 | Low | 64 Ų | 64 | 76 Ų | 76 | 42% | 0.416 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 145.1 | 169 | 28.7 | -33.6 | 0 | 0 | 0 | 109.5 | P143 S144 | P143-P189 HydrophobicContact CB-CG 3.59Å; P143-P189 HydrophobicContact CG-CG 4.23Å; S144-P189 VanDerWaalsContact O-CD 3.23Å; S144-P189 WeakPolarHBondContact O-CD 3.12Å |
| 190 | A | 63.7 | Low | 69 | Low | 58 Ų | 58 | 84.5 Ų | 84.5 | 48% | 0.479 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 131.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 191 | E | 55.2 | Low | 68.6 | Low | 169 Ų | 169 | 83 Ų | 83 | 79% | 0.79 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 138 | 173 | -78.1 | 175.3 | 157 | 0 | 0 | 110.9 | L193 | E191-L193 PolarHBondContact O-N 2.64Š|
| 192 | G | 49.5 | Very low | 68.6 | Low | 82 Ų | 82 | 86 Ų | 86 | 85% | 0.845 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 2.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 193 | L | 44.6 | Very low | 68.6 | Low | 135 Ų | 135 | 87 Ų | 87 | 71% | 0.707 | 47% | 0.474 | S | S | * | . | trans | -107.4 | 113.9 | 172.8 | -149 | 80.1 | 0 | 0 | 0 | 110.5 | E191 E195 | E191-L193 PolarHBondContact O-N 2.64Å; L193-E195 PolarHBondContact O-N 2.81Å | ||
| 194 | P | 42.3 | Very low | 68.6 | Low | 96 Ų | 96 | 87 Ų | 87 | 62% | 0.623 | 47% | 0.473 | S | S | * | . | trans | -63.1 | 116.5 | 169.2 | 25.9 | -29.4 | 0 | 0 | 0 | 106.6 | T196 | P194-T196 HydrophobicContact CB-CG2 4.4Å; P194-T196 HydrophobicContact CG-CG2 4.49Å; P194-T196 PolarHBondContact O-N 2.93Å | ||
| 195 | E | 49.8 | Very low | 68.7 | Low | 91 Ų | 91 | 88.1 Ų | 88.1 | 43% | 0.425 | 47% | 0.474 | S | S | . | . | trans | -64.3 | 84.1 | 167.8 | -77.2 | -157.8 | 121.3 | 0 | 0 | 107.8 | L193 R197 R199 | L193-E195 PolarHBondContact O-N 2.81Å; E195-R197 PolarHBondContact O-N 2.86Å; E195-R199 IonicContact OE1-CZ 3.03Å; E195-R199 IonicContact OE1-NH1 3.39Å; E195-R199 PolarHBondContact OE1-NH1 2.79Å | ||
| 196 | T | 44.3 | Very low | 68.8 | Low | 108 Ų | 108 | 88.1 Ų | 88.1 | 66% | 0.663 | 47% | 0.474 | S | S | * | . | trans | -72.4 | 126.7 | 173.8 | 41.4 | 0 | 0 | 0 | 0 | 107.8 | P194 | P194-T196 HydrophobicContact CB-CG2 4.4Å; P194-T196 HydrophobicContact CG-CG2 4.49Å; P194-T196 PolarHBondContact O-N 2.93Å | ||
| 197 | R | 46.6 | Very low | 68.9 | Low | 222 Ų | 222 | 89.2 Ų | 89.2 | 84% | 0.838 | 48% | 0.48 | S | S | * | . | S | Bend | trans | 91.9 | 122 | 177.8 | -59 | 178.6 | -175 | -161.3 | -0.9 | 114.3 | E195 R199 | E195-R197 PolarHBondContact O-N 2.86Å; R197-R199 VanDerWaalsContact C-N 3.34Å; R197-R199 WeakPolarHBondContact O-CA 3.3Å; R197-R199 PolarHBondContact O-N 2.85Å |
| 198 | G | 51.1 | Low | 69 | Low | 93 Ų | 93 | 89.2 Ų | 89.2 | 96% | 0.959 | 48% | 0.479 | S | S | * | . | trans | -41.5 | 92 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 199 | R | 62 | Low | 69.3 | Low | 160 Ų | 160 | 88.7 Ų | 88.7 | 60% | 0.604 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -89.6 | 132.1 | -169.8 | -110 | 176.7 | 178.8 | 177.6 | 1.9 | 108.9 | E195 R197 | E195-R199 IonicContact OE1-CZ 3.03Å; E195-R199 IonicContact OE1-NH1 3.39Å; E195-R199 PolarHBondContact OE1-NH1 2.79Å; R197-R199 VanDerWaalsContact C-N 3.34Å; R197-R199 WeakPolarHBondContact O-CA 3.3Å; R197-R199 PolarHBondContact O-N 2.85Å |
| 200 | R | 66.1 | Low | 69.9 | Low | 229 Ų | 229 | 90.8 Ų | 90.8 | 86% | 0.864 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -48.6 | 142.5 | 165.2 | -87.5 | 179.6 | 174.1 | 175.2 | -1.8 | 109.3 | R202 | R200-R202 PolarHBondContact O-N 2.89Š|
| 201 | P | 72.4 | Confident | 71.1 | Confident | 78 Ų | 78 | 95.2 Ų | 95.2 | 51% | 0.506 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -52.5 | 135.7 | 174.8 | 21.4 | -31.9 | 0 | 0 | 0 | 110.1 | N203 L218 | P201-N203 PolarHBondContact O-N 2.81Å; P201-L218 WeakPolarHBondContact CA-O 3.41Å; P201-L218 VanDerWaalsContact CB-O 3.31Å; P201-L218 WeakPolarHBondContact CB-O 3.38Å |
| 202 | R | 84.9 | Confident | 72.8 | Confident | 66 Ų | 66 | 90.6 Ų | 90.6 | 25% | 0.249 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 117.6 | 178.2 | -62.9 | 178.2 | 67.5 | -168.2 | 1.2 | 107.7 | E165 R171 R200 L218 | E165-R202 VanDerWaalsContact CD-NH2 3.35Å; E165-R202 IonicContact OE1-CZ 3.13Å; E165-R202 IonicContact OE1-NE 2.76Å; E165-R202 PolarHBondContact OE1-NE 3.23Å; E165-R202 IonicContact OE1-NH2 4Å; E165-R202 PolarHBondContact OE1-NH2 3.05Å; E165-R202 IonicContact OE2-CZ 3.53Å; E165-R202 IonicContact OE2-NE 2.81Å; E165-R202 IonicContact OE2-NH2 2.95Å; E165-R202 PolarHBondContact OE2-NH2 2.83Å; R171-R202 PolarHBondContact O-NH2 2.8Å; R200-R202 PolarHBondContact O-N 2.89Å; R202-L218 HydrophobicContact CB-CB 4.22Å; R202-L218 PolarHBondContact N-O 3.23Å; R202-L218 VanDerWaalsContact N-O 3.17Å; R202-L218 PolarHBondContact O-N 2.95Å |
| 203 | N | 90.2 | Very high | 74.9 | Confident | 54 Ų | 54 | 93.9 Ų | 93.9 | 29% | 0.289 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 107.1 | 176.6 | -172.9 | -81.5 | 0 | 0 | 0 | 109 | P201 R205 F216 | P201-N203 PolarHBondContact O-N 2.81Å; N203-R205 PolarHBondContact OD1-NE 3.06Å; N203-F216 CarbonylContact C-O 3.55Å; N203-F216 WeakPolarHBondContact CA-O 3.47Å |
| 204 | I | 93.3 | Very high | 77.3 | Confident | 0 Ų | 0 | 88.7 Ų | 88.7 | 0% | 0 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 136.6 | 178 | -62.3 | -177.9 | 0 | 0 | 0 | 108.7 | L148 W163 L164 V170 L185 V187 S215 F216 L218 | L148-I204 HydrophobicContact CD1-CB 3.81Å; L148-I204 HydrophobicContact CD1-CD1 4.01Å; L148-I204 HydrophobicContact CD1-CG1 4.47Å; L148-I204 HydrophobicContact CD1-CG2 3.72Å; W163-I204 HydrophobicContact CE3-CG2 3.88Å; W163-I204 HydrophobicContact CZ3-CG2 4.34Å; L164-I204 CarbonylContact O-C 3.58Å; L164-I204 WeakPolarHBondContact O-CA 3.31Å; V170-I204 HydrophobicContact CG1-CD1 3.92Å; V170-I204 HydrophobicContact CG2-CD1 4.43Å; V170-I204 HydrophobicContact CG2-CG2 3.77Å; L185-I204 HydrophobicContact CD2-CD1 4.36Å; L185-I204 HydrophobicContact CD2-CG2 3.73Å; V187-I204 HydrophobicContact CG2-CD1 3.8Å; I204-S215 WeakPolarHBondContact O-CA 3.47Å; I204-F216 PolarHBondContact N-O 2.81Å; I204-F216 PolarHBondContact O-N 2.83Å; I204-L218 HydrophobicContact CD1-CD1 3.55Å; I204-L218 HydrophobicContact CD1-CG 4.32Å; I204-L218 HydrophobicContact CG1-CD1 4.35Å |
| 205 | R | 94.6 | Very high | 79.8 | Confident | 81 Ų | 81 | 87.4 Ų | 87.4 | 31% | 0.306 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 140.4 | -178.7 | -55.7 | -179.9 | -161.5 | 156.9 | 0.2 | 110.6 | W163 L164 N203 F214 | W163-R205 CarbonylContact C-O 3.53Å; W163-R205 WeakPolarHBondContact CA-O 3.43Å; L164-R205 PolarHBondContact N-O 2.83Å; L164-R205 PolarHBondContact O-N 3.25Å; N203-R205 PolarHBondContact OD1-NE 3.06Å; R205-F214 CarbonylContact C-O 3.48Å; R205-F214 WeakPolarHBondContact CA-O 3.4Å |
| 206 | C | 94.1 | Very high | 81.8 | Confident | 0 Ų | 0 | 83.7 Ų | 83.7 | 0% | 0 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 118.8 | 168.7 | 159.6 | 0 | 0 | 0 | 0 | 107.6 | C150 W163 R213 F214 F216 | C150-C206 HydrophobicContact CB-CB 4.16Å; C150-C206 WeakPolarHBondContact CB-SG 3.38Å; C150-C206 WeakPolarHBondContact SG-CB 3.37Å; C150-C206 CovalentContact SG-SG 2.02Å; C150-C206 PolarHBondContact SG-SG 3.09Å; W163-C206 HydrophobicContact CD2-CB 4.28Å; W163-C206 HydrophobicContact CE3-CB 3.79Å; W163-C206 HydrophobicContact CH2-CB 3.82Å; W163-C206 HydrophobicContact CZ2-CB 4.28Å; W163-C206 HydrophobicContact CZ3-CB 3.57Å; C206-R213 CarbonylContact O-C 3.59Å; C206-R213 WeakPolarHBondContact O-CA 3.49Å; C206-F214 PolarHBondContact N-O 2.79Å; C206-F214 PolarHBondContact O-N 2.85Å; C206-F216 HydrophobicContact CB-CE2 4.05Å |
| 207 | L | 93.1 | Very high | 84.1 | Confident | 54 Ų | 54 | 81.9 Ų | 81.9 | 28% | 0.283 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 125.3 | 172.3 | -61.8 | -174.7 | 0 | 0 | 0 | 108.6 | V161 T162 L164 R213 | V161-L207 VanDerWaalsContact CA-O 3.25Å; V161-L207 WeakPolarHBondContact CA-O 2.93Å; T162-L207 PolarHBondContact N-O 2.99Å; T162-L207 PolarHBondContact O-N 3.34Å; L164-L207 HydrophobicContact CD1-CD1 3.38Å; L164-L207 HydrophobicContact CD1-CG 3.96Å; L164-L207 HydrophobicContact CG-CD1 4.31Å; L207-R213 HydrophobicContact CD2-CB 3.76Å |
| 208 | M | 91.3 | Very high | 85.9 | Confident | 6 Ų | 6 | 71.8 Ų | 71.8 | 3% | 0.03 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 171 | 179 | -71.4 | -142.9 | -90.5 | 0 | 0 | 110.2 | L130 C150 L158 V161 N211 K212 F214 | L130-M208 HydrophobicContact CB-CE 3.65Å; L130-M208 HydrophobicContact CD1-CB 4.04Å; L130-M208 HydrophobicContact CD1-CE 3.91Å; L130-M208 HydrophobicContact CD1-SD 4.41Å; L130-M208 HydrophobicContact CD2-CE 3.82Å; L130-M208 HydrophobicContact CD2-SD 3.88Å; L130-M208 HydrophobicContact CG-CE 4Å; C150-M208 HydrophobicContact CB-CE 4.05Å; C150-M208 HydrophobicContact CB-CG 4.48Å; C150-M208 HydrophobicContact CB-SD 3.91Å; L158-M208 HydrophobicContact CD1-SD 4.28Å; V161-M208 HydrophobicContact CG2-CG 4.31Å; M208-N211 PolarHBondContact O-N 3.33Å; M208-K212 HydrophobicContact CB-CB 4.44Å; M208-K212 PolarHBondContact N-O 2.8Å; M208-K212 PolarHBondContact O-N 3.28Å; M208-F214 HydrophobicContact CE-CD2 3.39Å; M208-F214 HydrophobicContact CE-CE2 3.11Å; M208-F214 HydrophobicContact CE-CZ 4.23Å |
| 209 | P | 88.8 | Confident | 87.1 | Confident | 17 Ų | 17 | 71.7 Ų | 71.7 | 11% | 0.11 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -51 | 154.6 | 179.6 | -30.5 | 37.8 | 0 | 0 | 0 | 113.7 | Y28 L158 N211 K212 | Y28-P209 HydrophobicContact CD2-CB 3.94Å; Y28-P209 HydrophobicContact CE2-CB 3.53Å; Y28-P209 HydrophobicContact CE2-CG 4.29Å; L158-P209 HydrophobicContact CD2-CG 4.05Å; P209-N211 PolarHBondContact O-N 2.95Å; P209-K212 WeakPolarHBondContact O-CG 3.05Å; P209-K212 PolarHBondContact O-N 2.04Å |
| 210 | Q | 89.2 | Confident | 87.1 | Confident | 108 Ų | 108 | 66.3 Ų | 66.3 | 51% | 0.505 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | 57.4 | 31 | -175.4 | -57.7 | 177 | 4 | 0 | 0 | 113.7 | I26 Y28 K212 | I26-Q210 PolarHBondContact O-NE2 2.98Å; Y28-Q210 HydrophobicContact CD2-CB 4.44Å; Y28-Q210 HydrophobicContact CD2-CG 3.87Å; Y28-Q210 HydrophobicContact CE2-CG 4.41Å; Q210-K212 HydrophobicContact CB-CG 4.45Å; Q210-K212 PolarHBondContact O-N 2.81Å; Q210-K212 VanDerWaalsContact O-N 3.1Å |
| 211 | N | 88.6 | Confident | 86.6 | Confident | 150 Ų | 150 | 58.3 Ų | 58.3 | 80% | 0.802 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | 56.9 | 22.4 | -179.4 | -65.7 | -29.7 | 0 | 0 | 0 | 114.3 | M208 P209 | M208-N211 PolarHBondContact O-N 3.33Å; P209-N211 PolarHBondContact O-N 2.95Å |
| 212 | K | 92.3 | Very high | 85.2 | Confident | 73 Ų | 73 | 60.1 Ų | 60.1 | 32% | 0.317 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 142.9 | 172.6 | -60.6 | -58.2 | -176.5 | 174.6 | 0 | 109 | Y28 I30 L130 M208 P209 Q210 | Y28-K212 WeakPolarHBondContact O-CE 3.07Å; I30-K212 HydrophobicContact CD1-CB 4.1Å; I30-K212 HydrophobicContact CD1-CD 3.87Å; I30-K212 HydrophobicContact CD1-CG 4.44Å; I30-K212 HydrophobicContact CG1-CB 4.29Å; I30-K212 HydrophobicContact CG1-CD 4.18Å; I30-K212 HydrophobicContact CG1-CG 4.48Å; L130-K212 HydrophobicContact CD1-CB 3.5Å; L130-K212 HydrophobicContact CD1-CG 3.87Å; M208-K212 HydrophobicContact CB-CB 4.44Å; M208-K212 PolarHBondContact N-O 2.8Å; M208-K212 PolarHBondContact O-N 3.28Å; P209-K212 WeakPolarHBondContact O-CG 3.05Å; P209-K212 PolarHBondContact O-N 2.04Å; Q210-K212 HydrophobicContact CB-CG 4.45Å; Q210-K212 PolarHBondContact O-N 2.81Å; Q210-K212 VanDerWaalsContact O-N 3.1Å |
| 213 | R | 93.3 | Very high | 83.1 | Confident | 151 Ų | 151 | 63 Ų | 63 | 57% | 0.57 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 145.6 | -174.2 | 63.7 | -178.1 | 161.2 | -167.6 | -7.2 | 113.6 | C206 L207 | C206-R213 CarbonylContact O-C 3.59Å; C206-R213 WeakPolarHBondContact O-CA 3.49Å; L207-R213 HydrophobicContact CD2-CB 3.76Å |
| 214 | F | 95 | Very high | 80.7 | Confident | 26 Ų | 26 | 68.1 Ų | 68.1 | 11% | 0.114 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 142.1 | 169.4 | -68.7 | -87.6 | 0 | 0 | 0 | 109.4 | I30 L130 G132 R205 C206 M208 F216 | I30-F214 HydrophobicContact CB-CZ 4.35Å; I30-F214 HydrophobicContact CG1-CE2 4.43Å; I30-F214 HydrophobicContact CG1-CZ 4.15Å; I30-F214 HydrophobicContact CG2-CE1 3.82Å; I30-F214 HydrophobicContact CG2-CZ 3.69Å; L130-F214 HydrophobicContact CB-CE2 3.87Å; L130-F214 HydrophobicContact CB-CZ 4.02Å; L130-F214 WeakPolarHBondContact O-CZ 3.23Å; G132-F214 VanDerWaalsContact N-CE1 3.3Å; R205-F214 CarbonylContact C-O 3.48Å; R205-F214 WeakPolarHBondContact CA-O 3.4Å; C206-F214 PolarHBondContact N-O 2.79Å; C206-F214 PolarHBondContact O-N 2.85Å; M208-F214 HydrophobicContact CE-CD2 3.39Å; M208-F214 HydrophobicContact CE-CE2 3.11Å; M208-F214 HydrophobicContact CE-CZ 4.23Å; F214-F216 HydrophobicContact CB-CE2 3.88Å; F214-F216 HydrophobicContact CB-CZ 3.77Å |
| 215 | S | 94 | Very high | 77.9 | Confident | 69 Ų | 69 | 72.7 Ų | 72.7 | 48% | 0.483 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 128.7 | 177.5 | -57.8 | 0 | 0 | 0 | 0 | 109.8 | I204 | I204-S215 WeakPolarHBondContact O-CA 3.47Å |
| 216 | F | 93.6 | Very high | 75.1 | Confident | 12 Ų | 12 | 73.8 Ų | 73.8 | 5% | 0.053 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 132.4 | -178 | -53.5 | -78.7 | 0 | 0 | 0 | 108.7 | Q134 L148 W163 N203 I204 C206 F214 | Q134-F216 HydrophobicContact CB-CD1 4.04Å; L148-F216 HydrophobicContact CB-CD2 4.21Å; L148-F216 HydrophobicContact CB-CE2 4.32Å; L148-F216 HydrophobicContact CB-CG 4.42Å; L148-F216 HydrophobicContact CD1-CB 3.84Å; L148-F216 HydrophobicContact CD1-CD2 3.92Å; L148-F216 HydrophobicContact CD1-CG 4.02Å; L148-F216 HydrophobicContact CD2-CB 3.69Å; L148-F216 HydrophobicContact CD2-CD1 3.96Å; L148-F216 HydrophobicContact CD2-CD2 4.32Å; L148-F216 HydrophobicContact CD2-CG 3.73Å; L148-F216 HydrophobicContact CG-CB 4.36Å; L148-F216 HydrophobicContact CG-CD2 4.38Å; L148-F216 HydrophobicContact CG-CG 4.27Å; W163-F216 HydrophobicContact CH2-CE2 4.06Å; W163-F216 HydrophobicContact CZ3-CD2 4.02Å; W163-F216 AromaticContact CZ3-CE2 3.68Å; W163-F216 HydrophobicContact CZ3-CE2 3.68Å; N203-F216 CarbonylContact C-O 3.55Å; N203-F216 WeakPolarHBondContact CA-O 3.47Å; I204-F216 PolarHBondContact N-O 2.81Å; I204-F216 PolarHBondContact O-N 2.83Å; C206-F216 HydrophobicContact CB-CE2 4.05Å; F214-F216 HydrophobicContact CB-CE2 3.88Å; F214-F216 HydrophobicContact CB-CZ 3.77Å |
| 217 | S | 90.6 | Very high | 72.7 | Confident | 70 Ų | 70 | 79.5 Ų | 79.5 | 49% | 0.49 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 111.7 | 178 | -61.6 | 0 | 0 | 0 | 0 | 108.9 | ||
| 218 | L | 86.3 | Confident | 70.1 | Confident | 10 Ų | 10 | 82.6 Ų | 82.6 | 5% | 0.052 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 124.5 | 173.5 | -53.9 | -176.1 | 0 | 0 | 0 | 108.5 | L148 V187 P201 R202 I204 | L148-L218 HydrophobicContact CD1-CD2 4.46Å; L148-L218 HydrophobicContact CD2-CD2 4.1Å; V187-L218 HydrophobicContact CB-CD1 4.22Å; V187-L218 HydrophobicContact CG1-CD1 4.04Å; P201-L218 WeakPolarHBondContact CA-O 3.41Å; P201-L218 VanDerWaalsContact CB-O 3.31Å; P201-L218 WeakPolarHBondContact CB-O 3.38Å; R202-L218 HydrophobicContact CB-CB 4.22Å; R202-L218 PolarHBondContact N-O 3.23Å; R202-L218 VanDerWaalsContact N-O 3.17Å; R202-L218 PolarHBondContact O-N 2.95Å; I204-L218 HydrophobicContact CD1-CD1 3.55Å; I204-L218 HydrophobicContact CD1-CG 4.32Å; I204-L218 HydrophobicContact CG1-CD1 4.35Å |
| 219 | A | 75.6 | Confident | 67.8 | Low | 91 Ų | 91 | 88.7 Ų | 88.7 | 75% | 0.752 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 141.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 220 | A | 61.9 | Low | 65.5 | Low | 48 Ų | 48 | 93.1 Ų | 93.1 | 40% | 0.397 | 56% | 0.559 | S | S | . | * | P | Polyproline II helix | trans | -60.6 | 143.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||
| 221 | A | 55.3 | Low | 63.4 | Low | 60 Ų | 60 | 91.5 Ų | 91.5 | 50% | 0.496 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -52.4 | 134.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | T223 | A221-T223 PolarHBondContact O-N 3.38Å; A221-T223 VanDerWaalsContact O-N 3.09Å |
| 222 | P | 42.8 | Very low | 61.1 | Low | 117 Ų | 117 | 90.2 Ų | 90.2 | 76% | 0.76 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 125.9 | 175 | -20.7 | 30.6 | 0 | 0 | 0 | 107.7 | E224 | P222-E224 PolarHBondContact O-N 2.67Š|
| 223 | T | 41.8 | Very low | 58.7 | Low | 127 Ų | 127 | 93.3 Ų | 93.3 | 78% | 0.779 | 59% | 0.589 | S | S | * | * | trans | -63.7 | 97 | 158.2 | -43.5 | 0 | 0 | 0 | 0 | 104 | A221 P225 | A221-T223 PolarHBondContact O-N 3.38Å; A221-T223 VanDerWaalsContact O-N 3.09Å; T223-P225 VanDerWaalsContact O-N 3.12Å | ||
| 224 | E | 39.6 | Very low | 56.8 | Low | 161 Ų | 161 | 93 Ų | 93 | 75% | 0.752 | 59% | 0.594 | S | S | * | * | trans | -42.9 | 122.8 | 159.3 | -86.3 | -90.5 | 144.7 | 0 | 0 | 105.5 | P222 S226 | P222-E224 PolarHBondContact O-N 2.67Å; E224-S226 PolarHBondContact O-N 2.92Å | ||
| 225 | P | 35 | Very low | 54.5 | Low | 96 Ų | 96 | 96.2 Ų | 96.2 | 62% | 0.623 | 62% | 0.619 | S | S | * | * | trans | -52.5 | 126.6 | 172.3 | 22.2 | -30 | 0 | 0 | 0 | 106 | T223 P227 | T223-P225 VanDerWaalsContact O-N 3.12Å; P225-P227 VanDerWaalsContact O-N 3.15Å | ||
| 226 | S | 36.2 | Very low | 53 | Low | 104 Ų | 104 | 102.2 Ų | 102.2 | 73% | 0.727 | 63% | 0.632 | S | S | * | * | trans | -35.8 | 128.1 | 169.3 | -38.2 | 0 | 0 | 0 | 0 | 107.1 | E224 T228 | E224-S226 PolarHBondContact O-N 2.92Å; S226-T228 VanDerWaalsContact C-N 3.32Å; S226-T228 PolarHBondContact O-N 2.92Å | ||
| 227 | P | 41.7 | Very low | 51.4 | Low | 119 Ų | 119 | 104.9 Ų | 104.9 | 77% | 0.773 | 65% | 0.646 | S | S | * | * | trans | -54.8 | 103.4 | -168 | 20.9 | -32.1 | 0 | 0 | 0 | 107.7 | P225 T229 | P225-P227 VanDerWaalsContact O-N 3.15Å; P227-T229 VanDerWaalsContact C-N 3.32Å; P227-T229 PolarHBondContact O-N 2.71Å | ||
| 228 | T | 38.8 | Very low | 50.2 | Low | 119 Ų | 119 | 105.8 Ų | 105.8 | 73% | 0.73 | 65% | 0.649 | S | S | * | * | trans | -54.5 | 113 | 161.8 | -6.2 | 0 | 0 | 0 | 0 | 101.9 | S226 C230 | S226-T228 VanDerWaalsContact C-N 3.32Å; S226-T228 PolarHBondContact O-N 2.92Å; T228-C230 VanDerWaalsContact C-N 3.31Å; T228-C230 PolarHBondContact O-N 2.78Å | ||
| 229 | T | 44.1 | Very low | 49.3 | Very low | 134 Ų | 134 | 109.3 Ų | 109.3 | 82% | 0.822 | 67% | 0.672 | S | S | * | * | trans | -34.4 | 100.3 | -178.3 | -55.2 | 0 | 0 | 0 | 0 | 108.3 | P227 A231 | P227-T229 VanDerWaalsContact C-N 3.32Å; P227-T229 PolarHBondContact O-N 2.71Å; T229-A231 VanDerWaalsContact C-N 3.34Å; T229-A231 PolarHBondContact O-N 3.46Å | ||
| 230 | C | 41 | Very low | 49.1 | Very low | 111 Ų | 111 | 112.8 Ų | 112.8 | 75% | 0.75 | 67% | 0.666 | S | S | * | * | trans | -61.5 | 111.3 | 170.1 | -75.5 | 0 | 0 | 0 | 0 | 103 | T228 | T228-C230 VanDerWaalsContact C-N 3.31Å; T228-C230 PolarHBondContact O-N 2.78Å | ||
| 231 | A | 44.8 | Very low | 49.7 | Very low | 74 Ų | 74 | 113.7 Ų | 113.7 | 61% | 0.612 | 67% | 0.666 | S | S | * | * | trans | -46.7 | 130.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 105.8 | T229 V233 | T229-A231 VanDerWaalsContact C-N 3.34Å; T229-A231 PolarHBondContact O-N 3.46Å; A231-V233 PolarHBondContact O-N 3.24Å | ||
| 232 | P | 38.7 | Very low | 50.7 | Low | 123 Ų | 123 | 116.1 Ų | 116.1 | 80% | 0.799 | 67% | 0.67 | S | S | * | * | trans | -60.3 | 106.9 | -175 | 24.2 | -30.9 | 0 | 0 | 0 | 106.8 | Q234 | P232-Q234 PolarHBondContact O-N 2.92Š| ||
| 233 | V | 43 | Very low | 52.4 | Low | 137 Ų | 137 | 115.7 Ų | 115.7 | 83% | 0.83 | 66% | 0.66 | S | S | * | * | trans | -66.9 | 101.5 | 162.1 | 177.9 | 0 | 0 | 0 | 0 | 103.1 | A231 S235 | A231-V233 PolarHBondContact O-N 3.24Å; V233-S235 VanDerWaalsContact C-N 3.26Å; V233-S235 PolarHBondContact O-N 2.77Å | ||
| 234 | Q | 52.3 | Low | 54.2 | Low | 146 Ų | 146 | 115.2 Ų | 115.2 | 68% | 0.682 | 65% | 0.653 | S | S | * | * | trans | -55.1 | 95.3 | 176.2 | -167.2 | 167.2 | 21.5 | 0 | 0 | 106.8 | P232 W236 | P232-Q234 PolarHBondContact O-N 2.92Å; Q234-W236 VanDerWaalsContact C-N 3.32Å; Q234-W236 VanDerWaalsContact O-CD1 3.27Å; Q234-W236 PolarHBondContact O-N 2.91Å | ||
| 235 | S | 48.4 | Very low | 56.3 | Low | 92 Ų | 92 | 113.1 Ų | 113.1 | 64% | 0.643 | 65% | 0.646 | S | S | * | * | trans | -63.7 | 102.6 | 170.9 | 59.8 | 0 | 0 | 0 | 0 | 105 | V233 D237 | V233-S235 VanDerWaalsContact C-N 3.26Å; V233-S235 PolarHBondContact O-N 2.77Å; S235-D237 PolarHBondContact O-N 2.71Å | ||
| 236 | W | 60.8 | Low | 58.5 | Low | 196 Ų | 196 | 115.2 Ų | 115.2 | 74% | 0.742 | 65% | 0.645 | S | S | * | * | trans | -58.4 | 113.2 | 172 | -75.1 | 79.9 | 0 | 0 | 0 | 106.2 | Q234 V238 | Q234-W236 VanDerWaalsContact C-N 3.32Å; Q234-W236 VanDerWaalsContact O-CD1 3.27Å; Q234-W236 PolarHBondContact O-N 2.91Å; W236-V238 PolarHBondContact O-N 2.97Å | ||
| 237 | D | 60.1 | Low | 60.6 | Low | 67 Ų | 67 | 114.1 Ų | 114.1 | 36% | 0.358 | 63% | 0.634 | S | S | . | * | trans | -67.9 | 71.2 | 174.5 | -76.6 | -44.1 | 0 | 0 | 0 | 108.4 | S235 P239 R240 V241 | S235-D237 PolarHBondContact O-N 2.71Å; D237-P239 VanDerWaalsContact O-N 3.16Å; D237-R240 HydrophobicContact CB-CB 3.69Å; D237-R240 HydrophobicContact CB-CG 3.78Å; D237-R240 WeakPolarHBondContact O-CA 3.39Å; D237-R240 PolarHBondContact O-N 2.99Å; D237-R240 WeakPolarHBondContact OD2-CD 3.36Å; D237-R240 IonicContact OD2-CZ 3.5Å; D237-R240 IonicContact OD2-NE 3.7Å; D237-R240 IonicContact OD2-NH1 2.71Å; D237-R240 PolarHBondContact OD2-NH1 2.71Å; D237-V241 PolarHBondContact O-N 2.91Å | ||
| 238 | V | 67 | Low | 62.5 | Low | 89 Ų | 89 | 111.3 Ų | 111.3 | 54% | 0.539 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -47.5 | -38.4 | 172 | -179.5 | 0 | 0 | 0 | 0 | 110.9 | W236 L242 | W236-V238 PolarHBondContact O-N 2.97Å; V238-L242 HydrophobicContact CG1-CD1 4Å; V238-L242 WeakPolarHBondContact O-CB 3.49Å; V238-L242 VanDerWaalsContact O-CG 3.29Å; V238-L242 WeakPolarHBondContact O-CG 3.29Å; V238-L242 PolarHBondContact O-N 2.94Å |
| 239 | P | 67.5 | Low | 64.4 | Low | 84 Ų | 84 | 107.4 Ų | 107.4 | 55% | 0.545 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65 | -39.4 | 173.9 | -19.4 | 32.4 | 0 | 0 | 0 | 113.4 | D237 L242 I243 | D237-P239 VanDerWaalsContact O-N 3.16Å; P239-L242 PolarHBondContact O-N 2.87Å; P239-I243 WeakPolarHBondContact O-CD1 3.46Å; P239-I243 WeakPolarHBondContact O-CG1 3.38Å; P239-I243 PolarHBondContact O-N 3.35Å |
| 240 | R | 70.1 | Confident | 66.4 | Low | 164 Ų | 164 | 105.5 Ų | 105.5 | 62% | 0.619 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -71.7 | -37.6 | 178.9 | -69.6 | -174.8 | 174.9 | 153.5 | -10.4 | 112 | D237 L242 I243 L244 | D237-R240 HydrophobicContact CB-CB 3.69Å; D237-R240 HydrophobicContact CB-CG 3.78Å; D237-R240 WeakPolarHBondContact O-CA 3.39Å; D237-R240 PolarHBondContact O-N 2.99Å; D237-R240 WeakPolarHBondContact OD2-CD 3.36Å; D237-R240 IonicContact OD2-CZ 3.5Å; D237-R240 IonicContact OD2-NE 3.7Å; D237-R240 IonicContact OD2-NH1 2.71Å; D237-R240 PolarHBondContact OD2-NH1 2.71Å; R240-L242 VanDerWaalsContact C-N 3.34Å; R240-I243 PolarHBondContact O-N 2.97Å; R240-L244 WeakPolarHBondContact O-CB 3.2Å; R240-L244 WeakPolarHBondContact O-CG 3.36Å; R240-L244 PolarHBondContact O-N 3.42Å |
| 241 | V | 75.6 | Confident | 68.3 | Low | 68 Ų | 68 | 101.6 Ų | 101.6 | 41% | 0.412 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.2 | -41.9 | 174.4 | 177.5 | 0 | 0 | 0 | 0 | 110.4 | D237 L244 L245 | D237-V241 PolarHBondContact O-N 2.91Å; V241-L244 PolarHBondContact O-N 2.9Å; V241-L245 HydrophobicContact CG1-CD1 3.99Å; V241-L245 HydrophobicContact CG1-CG 4.49Å; V241-L245 WeakPolarHBondContact O-CB 3.46Å; V241-L245 WeakPolarHBondContact O-CG 3.35Å; V241-L245 PolarHBondContact O-N 2.9Å |
| 242 | L | 76.3 | Confident | 70.2 | Confident | 110 Ų | 110 | 102.4 Ų | 102.4 | 58% | 0.576 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.2 | -42.1 | 174.6 | -77.2 | 166.8 | 0 | 0 | 0 | 112.3 | V238 P239 R240 L245 F246 | V238-L242 HydrophobicContact CG1-CD1 4Å; V238-L242 WeakPolarHBondContact O-CB 3.49Å; V238-L242 VanDerWaalsContact O-CG 3.29Å; V238-L242 WeakPolarHBondContact O-CG 3.29Å; V238-L242 PolarHBondContact O-N 2.94Å; P239-L242 PolarHBondContact O-N 2.87Å; R240-L242 VanDerWaalsContact C-N 3.34Å; L242-L245 PolarHBondContact O-N 2.96Å; L242-F246 WeakPolarHBondContact O-CB 3.43Å; L242-F246 PolarHBondContact O-N 3.34Å |
| 243 | I | 78.4 | Confident | 72.2 | Confident | 108 Ų | 108 | 99.9 Ų | 99.9 | 55% | 0.554 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.4 | -42.8 | 175.8 | -69.2 | 163.5 | 0 | 0 | 0 | 110.9 | P239 R240 F246 T247 | P239-I243 WeakPolarHBondContact O-CD1 3.46Å; P239-I243 WeakPolarHBondContact O-CG1 3.38Å; P239-I243 PolarHBondContact O-N 3.35Å; R240-I243 PolarHBondContact O-N 2.97Å; I243-F246 PolarHBondContact O-N 3.45Å; I243-T247 HydrophobicContact CG2-CG2 4.4Å; I243-T247 WeakPolarHBondContact O-CB 3.48Å; I243-T247 VanDerWaalsContact O-CG2 3.3Å; I243-T247 WeakPolarHBondContact O-CG2 3.27Å; I243-T247 PolarHBondContact O-N 2.9Å; I243-T247 PolarHBondContact O-OG1 3.31Å |
| 244 | L | 79.4 | Confident | 74.2 | Confident | 118 Ų | 118 | 98.1 Ų | 98.1 | 62% | 0.618 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.3 | -42.2 | 177.3 | -76.5 | 168.2 | 0 | 0 | 0 | 112.3 | R240 V241 T247 A248 | R240-L244 WeakPolarHBondContact O-CB 3.2Å; R240-L244 WeakPolarHBondContact O-CG 3.36Å; R240-L244 PolarHBondContact O-N 3.42Å; V241-L244 PolarHBondContact O-N 2.9Å; L244-T247 WeakPolarHBondContact CA-OG1 3.38Å; L244-T247 PolarHBondContact O-N 3.5Å; L244-T247 PolarHBondContact O-OG1 2.88Å; L244-A248 VanDerWaalsContact O-CB 3.27Å; L244-A248 WeakPolarHBondContact O-CB 3.25Å; L244-A248 PolarHBondContact O-N 2.92Å |
| 245 | L | 82.3 | Confident | 75.8 | Confident | 116 Ų | 116 | 96 Ų | 96 | 61% | 0.607 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.9 | -39.8 | 175.1 | -74.8 | 168.3 | 0 | 0 | 0 | 111.9 | V241 L242 G249 | V241-L245 HydrophobicContact CG1-CD1 3.99Å; V241-L245 HydrophobicContact CG1-CG 4.49Å; V241-L245 WeakPolarHBondContact O-CB 3.46Å; V241-L245 WeakPolarHBondContact O-CG 3.35Å; V241-L245 PolarHBondContact O-N 2.9Å; L242-L245 PolarHBondContact O-N 2.96Å; L245-G249 PolarHBondContact O-N 2.93Å |
| 246 | F | 82.5 | Confident | 77.5 | Confident | 140 Ų | 140 | 95.5 Ų | 95.5 | 61% | 0.614 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.3 | -44.8 | 178.3 | -160.1 | -95 | 0 | 0 | 0 | 111.4 | L242 I243 G249 Q250 | L242-F246 WeakPolarHBondContact O-CB 3.43Å; L242-F246 PolarHBondContact O-N 3.34Å; I243-F246 PolarHBondContact O-N 3.45Å; F246-G249 PolarHBondContact O-N 3.04Å; F246-Q250 HydrophobicContact CD1-CG 4Å; F246-Q250 HydrophobicContact CE1-CG 3.9Å; F246-Q250 VanDerWaalsContact O-CG 3.25Å; F246-Q250 WeakPolarHBondContact O-CG 3.3Å; F246-Q250 PolarHBondContact O-N 2.92Å |
| 247 | T | 79.4 | Confident | 78.7 | Confident | 81 Ų | 81 | 91.2 Ų | 91.2 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.8 | -41.6 | 176.9 | 51.6 | 0 | 0 | 0 | 0 | 112.3 | I243 L244 Q250 G251 | I243-T247 HydrophobicContact CG2-CG2 4.4Å; I243-T247 WeakPolarHBondContact O-CB 3.48Å; I243-T247 VanDerWaalsContact O-CG2 3.3Å; I243-T247 WeakPolarHBondContact O-CG2 3.27Å; I243-T247 PolarHBondContact O-N 2.9Å; I243-T247 PolarHBondContact O-OG1 3.31Å; L244-T247 WeakPolarHBondContact CA-OG1 3.38Å; L244-T247 PolarHBondContact O-N 3.5Å; L244-T247 PolarHBondContact O-OG1 2.88Å; T247-Q250 PolarHBondContact O-N 3.37Å; T247-G251 PolarHBondContact O-N 3.48Å |
| 248 | A | 81.1 | Confident | 79.6 | Confident | 60 Ų | 60 | 90.9 Ų | 90.9 | 50% | 0.496 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L244 G251 V252 | L244-A248 VanDerWaalsContact O-CB 3.27Å; L244-A248 WeakPolarHBondContact O-CB 3.25Å; L244-A248 PolarHBondContact O-N 2.92Å; A248-G251 PolarHBondContact O-N 3.43Å; A248-V252 WeakPolarHBondContact O-CG2 3.44Å; A248-V252 PolarHBondContact O-N 3.12Å |
| 249 | G | 80.2 | Confident | 80.3 | Confident | 37 Ų | 37 | 91.2 Ų | 91.2 | 38% | 0.381 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.4 | -44.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L245 F246 G251 V252 T253 | L245-G249 PolarHBondContact O-N 2.93Å; F246-G249 PolarHBondContact O-N 3.04Å; G249-G251 VanDerWaalsContact C-N 3.33Å; G249-G251 PolarHBondContact O-N 3.39Å; G249-V252 PolarHBondContact O-N 3.07Å; G249-T253 PolarHBondContact O-N 3.34Å; G249-T253 VanDerWaalsContact O-N 3.12Å; G249-T253 PolarHBondContact O-OG1 3.21Å |
| 250 | Q | 85.5 | Confident | 81.1 | Confident | 94 Ų | 94 | 90.5 Ų | 90.5 | 44% | 0.439 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64 | -36.8 | 174.9 | -66.2 | -68.1 | -21.2 | 0 | 0 | 112 | F246 T247 T253 I254 | F246-Q250 HydrophobicContact CD1-CG 4Å; F246-Q250 HydrophobicContact CE1-CG 3.9Å; F246-Q250 VanDerWaalsContact O-CG 3.25Å; F246-Q250 WeakPolarHBondContact O-CG 3.3Å; F246-Q250 PolarHBondContact O-N 2.92Å; T247-Q250 PolarHBondContact O-N 3.37Å; Q250-T253 WeakPolarHBondContact CA-OG1 3.46Å; Q250-T253 PolarHBondContact O-OG1 2.99Å; Q250-I254 WeakPolarHBondContact O-CD1 3.32Å; Q250-I254 WeakPolarHBondContact O-CG1 3.22Å; Q250-I254 PolarHBondContact O-N 3.29Å; Q250-I254 VanDerWaalsContact O-N 3.12Å |
| 251 | G | 80.4 | Confident | 81.6 | Confident | 30 Ų | 30 | 87.6 Ų | 87.6 | 31% | 0.309 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | T247 A248 G249 I254 I255 | T247-G251 PolarHBondContact O-N 3.48Å; A248-G251 PolarHBondContact O-N 3.43Å; G249-G251 VanDerWaalsContact C-N 3.33Å; G249-G251 PolarHBondContact O-N 3.39Å; G251-I254 PolarHBondContact O-N 3.39Å; G251-I255 VanDerWaalsContact O-CG1 3.32Å; G251-I255 WeakPolarHBondContact O-CG1 3.31Å; G251-I255 PolarHBondContact O-N 3.39Å |
| 252 | V | 84.4 | Confident | 81.6 | Confident | 91 Ų | 91 | 88.4 Ų | 88.4 | 55% | 0.552 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.8 | -42.4 | 179.1 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | A248 G249 I254 I255 V256 | A248-V252 WeakPolarHBondContact O-CG2 3.44Å; A248-V252 PolarHBondContact O-N 3.12Å; G249-V252 PolarHBondContact O-N 3.07Å; V252-I254 PolarHBondContact O-N 3.12Å; V252-I255 PolarHBondContact O-N 2.97Å; V252-V256 HydrophobicContact CG1-CG2 4.38Å; V252-V256 WeakPolarHBondContact O-CG2 3.33Å; V252-V256 PolarHBondContact O-N 2.74Å |
| 253 | T | 82 | Confident | 81.6 | Confident | 69 Ų | 69 | 92 Ų | 92 | 42% | 0.423 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64 | -40.3 | 178.1 | 53.9 | 0 | 0 | 0 | 0 | 112 | G249 Q250 I255 V256 L257 | G249-T253 PolarHBondContact O-N 3.34Å; G249-T253 VanDerWaalsContact O-N 3.12Å; G249-T253 PolarHBondContact O-OG1 3.21Å; Q250-T253 WeakPolarHBondContact CA-OG1 3.46Å; Q250-T253 PolarHBondContact O-OG1 2.99Å; T253-I255 PolarHBondContact O-N 2.92Å; T253-V256 PolarHBondContact O-N 2.87Å; T253-L257 WeakPolarHBondContact O-CB 3.43Å; T253-L257 VanDerWaalsContact O-CG 3.31Å; T253-L257 WeakPolarHBondContact O-CG 3.32Å; T253-L257 PolarHBondContact O-N 3.5Å |
| 254 | I | 85.2 | Confident | 81.3 | Confident | 101 Ų | 101 | 95.1 Ų | 95.1 | 52% | 0.518 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 175.6 | -68.4 | 166.9 | 0 | 0 | 0 | 111.1 | Q250 G251 V252 L257 S258 | Q250-I254 WeakPolarHBondContact O-CD1 3.32Å; Q250-I254 WeakPolarHBondContact O-CG1 3.22Å; Q250-I254 PolarHBondContact O-N 3.29Å; Q250-I254 VanDerWaalsContact O-N 3.12Å; G251-I254 PolarHBondContact O-N 3.39Å; V252-I254 PolarHBondContact O-N 3.12Å; I254-L257 PolarHBondContact O-N 3.47Å; I254-S258 WeakPolarHBondContact O-CB 3.22Å; I254-S258 PolarHBondContact O-N 2.88Å; I254-S258 PolarHBondContact O-OG 3.34Å |
| 255 | I | 85 | Confident | 80.8 | Confident | 102 Ų | 102 | 99 Ų | 99 | 52% | 0.523 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.2 | -45.7 | 178.8 | -68.6 | 168.4 | 0 | 0 | 0 | 110.6 | G251 V252 T253 L257 S258 I259 | G251-I255 VanDerWaalsContact O-CG1 3.32Å; G251-I255 WeakPolarHBondContact O-CG1 3.31Å; G251-I255 PolarHBondContact O-N 3.39Å; V252-I255 PolarHBondContact O-N 2.97Å; T253-I255 PolarHBondContact O-N 2.92Å; I255-L257 PolarHBondContact O-N 3.27Å; I255-S258 WeakPolarHBondContact O-CB 3.32Å; I255-S258 PolarHBondContact O-N 3.21Å; I255-I259 HydrophobicContact CG2-CD1 3.86Å; I255-I259 HydrophobicContact CG2-CG1 4.48Å; I255-I259 WeakPolarHBondContact O-CG1 3.31Å; I255-I259 PolarHBondContact O-N 3.48Å |
| 256 | V | 85.3 | Confident | 80 | Confident | 80 Ų | 80 | 96.2 Ų | 96.2 | 49% | 0.485 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.5 | -46.2 | 178.1 | 172 | 0 | 0 | 0 | 0 | 110.9 | V252 T253 S258 I259 V260 | V252-V256 HydrophobicContact CG1-CG2 4.38Å; V252-V256 WeakPolarHBondContact O-CG2 3.33Å; V252-V256 PolarHBondContact O-N 2.74Å; T253-V256 PolarHBondContact O-N 2.87Å; V256-S258 VanDerWaalsContact C-N 3.31Å; V256-S258 PolarHBondContact O-N 2.84Å; V256-I259 PolarHBondContact O-N 2.89Å; V256-V260 HydrophobicContact CG1-CG2 4.44Å; V256-V260 VanDerWaalsContact O-CG2 3.31Å; V256-V260 WeakPolarHBondContact O-CG2 3.4Å; V256-V260 PolarHBondContact O-N 3.44Å |
| 257 | L | 85.3 | Confident | 78.8 | Confident | 107 Ų | 107 | 96 Ų | 96 | 56% | 0.56 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.1 | -40.6 | 175.8 | -74.6 | 169.5 | 0 | 0 | 0 | 111.8 | T253 I254 I255 V260 L261 | T253-L257 WeakPolarHBondContact O-CB 3.43Å; T253-L257 VanDerWaalsContact O-CG 3.31Å; T253-L257 WeakPolarHBondContact O-CG 3.32Å; T253-L257 PolarHBondContact O-N 3.5Å; I254-L257 PolarHBondContact O-N 3.47Å; I255-L257 PolarHBondContact O-N 3.27Å; L257-V260 PolarHBondContact O-N 2.89Å; L257-L261 WeakPolarHBondContact O-CB 3.49Å; L257-L261 WeakPolarHBondContact O-CG 3.34Å; L257-L261 PolarHBondContact O-N 3.43Å |
| 258 | S | 79 | Confident | 77.7 | Confident | 60 Ų | 60 | 95.5 Ų | 95.5 | 42% | 0.42 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 176.7 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | I254 I255 V256 L261 C262 | I254-S258 WeakPolarHBondContact O-CB 3.22Å; I254-S258 PolarHBondContact O-N 2.88Å; I254-S258 PolarHBondContact O-OG 3.34Å; I255-S258 WeakPolarHBondContact O-CB 3.32Å; I255-S258 PolarHBondContact O-N 3.21Å; V256-S258 VanDerWaalsContact C-N 3.31Å; V256-S258 PolarHBondContact O-N 2.84Å; S258-L261 PolarHBondContact O-N 3.3Å; S258-C262 WeakPolarHBondContact O-CB 3.47Å; S258-C262 PolarHBondContact O-N 3.37Å |
| 259 | I | 82.3 | Confident | 76.4 | Confident | 95 Ų | 95 | 96.6 Ų | 96.6 | 49% | 0.487 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.6 | -44.3 | 175.6 | -67 | 167.3 | 0 | 0 | 0 | 110.5 | I255 V256 L261 C262 R263 | I255-I259 HydrophobicContact CG2-CD1 3.86Å; I255-I259 HydrophobicContact CG2-CG1 4.48Å; I255-I259 WeakPolarHBondContact O-CG1 3.31Å; I255-I259 PolarHBondContact O-N 3.48Å; V256-I259 PolarHBondContact O-N 2.89Å; I259-L261 VanDerWaalsContact C-N 3.35Å; I259-L261 PolarHBondContact O-N 3.44Å; I259-C262 PolarHBondContact O-N 2.83Å; I259-R263 HydrophobicContact CG2-CG 4.39Å; I259-R263 WeakPolarHBondContact O-CB 3.45Å; I259-R263 WeakPolarHBondContact O-CG 3.37Å; I259-R263 PolarHBondContact O-N 3.31Å |
| 260 | V | 83.3 | Confident | 74.9 | Confident | 69 Ų | 69 | 105.6 Ų | 105.6 | 42% | 0.418 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 177.7 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | V256 L257 R263 R264 | V256-V260 HydrophobicContact CG1-CG2 4.44Å; V256-V260 VanDerWaalsContact O-CG2 3.31Å; V256-V260 WeakPolarHBondContact O-CG2 3.4Å; V256-V260 PolarHBondContact O-N 3.44Å; L257-V260 PolarHBondContact O-N 2.89Å; V260-R263 PolarHBondContact O-N 2.87Å; V260-R264 WeakPolarHBondContact O-CB 3.32Å; V260-R264 WeakPolarHBondContact O-CG 3.34Å; V260-R264 PolarHBondContact O-N 2.84Å |
| 261 | L | 80.8 | Confident | 73.1 | Confident | 103 Ų | 103 | 108.5 Ų | 108.5 | 54% | 0.539 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.7 | -40.5 | 176 | -72.4 | 171.7 | 0 | 0 | 0 | 111.9 | L257 S258 I259 R264 R265 | L257-L261 WeakPolarHBondContact O-CB 3.49Å; L257-L261 WeakPolarHBondContact O-CG 3.34Å; L257-L261 PolarHBondContact O-N 3.43Å; S258-L261 PolarHBondContact O-N 3.3Å; I259-L261 VanDerWaalsContact C-N 3.35Å; I259-L261 PolarHBondContact O-N 3.44Å; L261-R264 PolarHBondContact O-N 3.48Å; L261-R265 WeakPolarHBondContact O-CB 3.5Å; L261-R265 WeakPolarHBondContact O-CG 3.44Å; L261-R265 PolarHBondContact O-N 3.36Å |
| 262 | C | 75.6 | Confident | 71.6 | Confident | 86 Ų | 86 | 117.4 Ų | 117.4 | 58% | 0.581 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -63.4 | -42.3 | 173.5 | -90.6 | 0 | 0 | 0 | 0 | 112 | S258 I259 R265 A266 | S258-C262 WeakPolarHBondContact O-CB 3.47Å; S258-C262 PolarHBondContact O-N 3.37Å; I259-C262 PolarHBondContact O-N 2.83Å; C262-R265 PolarHBondContact O-N 2.88Å; C262-A266 WeakPolarHBondContact O-CB 3.47Å; C262-A266 PolarHBondContact O-N 2.86Å |
| 263 | R | 75.8 | Confident | 69.2 | Low | 185 Ų | 185 | 121.3 Ų | 121.3 | 70% | 0.698 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.1 | -39.2 | 176.6 | -70.8 | -171.3 | 111.6 | -174.1 | 4 | 112 | I259 V260 A266 Q267 | I259-R263 HydrophobicContact CG2-CG 4.39Å; I259-R263 WeakPolarHBondContact O-CB 3.45Å; I259-R263 WeakPolarHBondContact O-CG 3.37Å; I259-R263 PolarHBondContact O-N 3.31Å; V260-R263 PolarHBondContact O-N 2.87Å; R263-A266 PolarHBondContact O-N 3.26Å; R263-Q267 WeakPolarHBondContact O-CB 3.46Å; R263-Q267 WeakPolarHBondContact O-CG 3.48Å; R263-Q267 PolarHBondContact O-N 2.88Å; R263-Q267 PolarHBondContact O-OE1 3.3Å |
| 264 | R | 72.9 | Confident | 67.4 | Low | 173 Ų | 173 | 122.3 Ų | 122.3 | 65% | 0.653 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -62.8 | -41.6 | 171.8 | -80.3 | -170.9 | 177.7 | -161 | 0.8 | 112.1 | V260 L261 Q267 A268 | V260-R264 WeakPolarHBondContact O-CB 3.32Å; V260-R264 WeakPolarHBondContact O-CG 3.34Å; V260-R264 PolarHBondContact O-N 2.84Å; L261-R264 PolarHBondContact O-N 3.48Å; R264-Q267 PolarHBondContact O-N 3.47Å; R264-A268 WeakPolarHBondContact O-CB 3.44Å; R264-A268 PolarHBondContact O-N 3.42Å |
| 265 | R | 68.6 | Low | 65 | Low | 201 Ų | 201 | 123.3 Ų | 123.3 | 76% | 0.758 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -65.4 | -40.4 | 174.6 | -80.1 | -174.6 | -179.3 | 175.5 | 1.3 | 112.3 | L261 C262 Q267 A268 S269 | L261-R265 WeakPolarHBondContact O-CB 3.5Å; L261-R265 WeakPolarHBondContact O-CG 3.44Å; L261-R265 PolarHBondContact O-N 3.36Å; C262-R265 PolarHBondContact O-N 2.88Å; R265-Q267 VanDerWaalsContact C-N 3.3Å; R265-Q267 PolarHBondContact O-N 2.92Å; R265-A268 PolarHBondContact O-N 3.35Å; R265-S269 WeakPolarHBondContact O-CB 3.36Å; R265-S269 PolarHBondContact O-N 3.38Å; R265-S269 PolarHBondContact O-OG 2.87Å |
| 266 | A | 64.7 | Low | 62.9 | Low | 56 Ų | 56 | 125.8 Ų | 125.8 | 46% | 0.463 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -67.9 | -28.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | C262 R263 S269 R270 | C262-A266 WeakPolarHBondContact O-CB 3.47Å; C262-A266 PolarHBondContact O-N 2.86Å; R263-A266 PolarHBondContact O-N 3.26Å; A266-S269 WeakPolarHBondContact CA-OG 3.48Å; A266-S269 PolarHBondContact O-OG 3.17Å; A266-S269 VanDerWaalsContact O-OG 3.12Å; A266-R270 PolarHBondContact O-N 3.12Å |
| 267 | Q | 58.4 | Low | 60.9 | Low | 137 Ų | 137 | 127.8 Ų | 127.8 | 64% | 0.64 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -75.8 | -41 | 170.7 | -79.2 | 166 | -38.2 | 0 | 0 | 111.7 | R263 R264 R265 S269 R270 | R263-Q267 WeakPolarHBondContact O-CB 3.46Å; R263-Q267 WeakPolarHBondContact O-CG 3.48Å; R263-Q267 PolarHBondContact O-N 2.88Å; R263-Q267 PolarHBondContact O-OE1 3.3Å; R264-Q267 PolarHBondContact O-N 3.47Å; R265-Q267 VanDerWaalsContact C-N 3.3Å; R265-Q267 PolarHBondContact O-N 2.92Å; Q267-S269 VanDerWaalsContact C-N 3.29Å; Q267-S269 PolarHBondContact O-N 3.43Å; Q267-R270 PolarHBondContact O-N 3.42Å |
| 268 | A | 55.9 | Low | 58.4 | Low | 70 Ų | 70 | 130.8 Ų | 130.8 | 58% | 0.579 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -66.3 | -28.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R264 R265 | R264-A268 WeakPolarHBondContact O-CB 3.44Å; R264-A268 PolarHBondContact O-N 3.42Å; R265-A268 PolarHBondContact O-N 3.35Å |
| 269 | S | 52.9 | Low | 56.3 | Low | 82 Ų | 82 | 136.4 Ų | 136.4 | 57% | 0.573 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -82.8 | -10.7 | 174.4 | 68.1 | 0 | 0 | 0 | 0 | 113.7 | R265 A266 Q267 D271 | R265-S269 WeakPolarHBondContact O-CB 3.36Å; R265-S269 PolarHBondContact O-N 3.38Å; R265-S269 PolarHBondContact O-OG 2.87Å; A266-S269 WeakPolarHBondContact CA-OG 3.48Å; A266-S269 PolarHBondContact O-OG 3.17Å; A266-S269 VanDerWaalsContact O-OG 3.12Å; Q267-S269 VanDerWaalsContact C-N 3.29Å; Q267-S269 PolarHBondContact O-N 3.43Å; S269-D271 VanDerWaalsContact C-N 3.32Å |
| 270 | R | 49.3 | Very low | 53.9 | Low | 227 Ų | 227 | 141 Ų | 141 | 86% | 0.857 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -84.9 | -8.9 | 177.6 | -134.1 | 176.5 | -173.8 | 174.9 | 1.3 | 113.2 | A266 Q267 | A266-R270 PolarHBondContact O-N 3.12Å; Q267-R270 PolarHBondContact O-N 3.42Å |
| 271 | D | 49 | Very low | 52.6 | Low | 154 Ų | 154 | 142 Ų | 142 | 82% | 0.824 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -108.8 | 13.9 | -178.7 | -123.8 | 1.3 | 0 | 0 | 0 | 113 | S269 | S269-D271 VanDerWaalsContact C-N 3.32Š|
| 272 | R | 48.4 | Very low | 50.5 | Low | 218 Ų | 218 | 145.7 Ų | 145.7 | 82% | 0.823 | 72% | 0.719 | S | S | * | * | trans | -149.6 | 96.1 | 179.6 | -147.9 | 161.7 | -175.2 | 130.5 | -1.2 | 113.6 | ||||
| 273 | E | 33.8 | Very low | 48.9 | Very low | 172 Ų | 172 | 147.6 Ų | 147.6 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | trans | -114 | 153.9 | 160.4 | -156.4 | 57.1 | -118.7 | 0 | 0 | 106.4 | ||||
| 274 | P | 45 | Very low | 47.2 | Very low | 91 Ų | 91 | 147 Ų | 147 | 59% | 0.591 | 73% | 0.733 | S | S | * | * | -123.4 | 168.6 | -79.1 | 35.7 | -17.1 | 0 | 0 | 0 | 111.5 | |||||
| 275 | S | 33.2 | Very low | 45.6 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 85% | 0.853 | 74% | 0.739 | S | S | * | * | trans | -150.9 | 119.1 | 153.2 | 13.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 276 | I | 40.8 | Very low | 44.2 | Very low | 154 Ų | 154 | 144 Ų | 144 | 79% | 0.79 | 74% | 0.737 | S | S | * | * | trans | -78.9 | 141 | 176.5 | -62.1 | 160.7 | 0 | 0 | 0 | 108.5 | ||||
| 277 | P | 44 | Very low | 43.2 | Very low | 121 Ų | 121 | 147.1 Ų | 147.1 | 79% | 0.786 | 74% | 0.742 | S | S | * | * | -139.8 | 130.4 | 104.9 | 22.2 | -0.8 | 0 | 0 | 0 | 111.7 | |||||
| 278 | H | 32.2 | Very low | 42.2 | Very low | 171 Ų | 171 | 145.8 Ų | 145.8 | 79% | 0.792 | 74% | 0.739 | S | S | * | * | 106 | 108.5 | 77.4 | -164.5 | 63.7 | 0 | 0 | 0 | 109 | |||||
| 279 | F | 36.7 | Very low | 41.8 | Very low | 178 Ų | 178 | 148.3 Ų | 148.3 | 78% | 0.781 | 74% | 0.742 | S | S | * | * | trans | -95.8 | 136.9 | -175 | -161.5 | -93.5 | 0 | 0 | 0 | 108.5 | P281 | F279-P281 HydrophobicContact CD1-CB 4.48Å; F279-P281 HydrophobicContact CE1-CB 3.94Å; F279-P281 HydrophobicContact CE1-CG 4.48Å | ||
| 280 | K | 30 | Very low | 41.3 | Very low | 192 Ų | 192 | 151.9 Ų | 151.9 | 84% | 0.835 | 75% | 0.749 | S | S | * | * | trans | -150 | 138.9 | 151 | -156.2 | 168.2 | -177.7 | -175 | 0 | 111 | ||||
| 281 | P | 57.1 | Low | 41.4 | Very low | 89 Ų | 89 | 148.2 Ų | 148.2 | 58% | 0.578 | 75% | 0.745 | S | S | * | * | trans | -111.2 | -160.4 | -156.5 | 40.7 | -26.9 | 0 | 0 | 0 | 112.8 | F279 | F279-P281 HydrophobicContact CD1-CB 4.48Å; F279-P281 HydrophobicContact CE1-CB 3.94Å; F279-P281 HydrophobicContact CE1-CG 4.48Å | ||
| 282 | E | 36.8 | Very low | 41 | Very low | 180 Ų | 180 | 144.5 Ų | 144.5 | 84% | 0.841 | 74% | 0.736 | S | S | * | * | trans | 109.6 | 97.2 | 162.2 | -147.8 | 155 | -145 | 0 | 0 | 113 | ||||
| 283 | V | 42.3 | Very low | 40.7 | Very low | 127 Ų | 127 | 145.5 Ų | 145.5 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | 77 | 130.8 | 63.7 | -172.4 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 284 | Q | 39 | Very low | 41 | Very low | 171 Ų | 171 | 145.9 Ų | 145.9 | 80% | 0.799 | 75% | 0.746 | S | S | * | * | trans | 98.7 | 111.4 | 162.4 | -53.9 | -169.8 | -37.8 | 0 | 0 | 115.8 | ||||
| 285 | V | 40.4 | Very low | 40.7 | Very low | 129 Ų | 129 | 144.7 Ų | 144.7 | 78% | 0.782 | 75% | 0.751 | S | S | * | * | 54.6 | 109.7 | 65.6 | -171.7 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 286 | Y | 39.1 | Very low | 42 | Very low | 182 Ų | 182 | 144.7 Ų | 144.7 | 71% | 0.714 | 75% | 0.748 | S | S | * | * | -172.3 | 163.1 | 54.8 | -153.3 | -135.6 | 0 | 0 | 0 | 110.1 | |||||
| 287 | E | 42.3 | Very low | 42.4 | Very low | 123 Ų | 123 | 143.2 Ų | 143.2 | 58% | 0.575 | 75% | 0.748 | S | S | * | * | trans | 55.4 | 133.9 | 142.6 | -94.1 | -174.1 | 175.8 | 0 | 0 | 119.5 | ||||
| 288 | N | 38.6 | Very low | 42.6 | Very low | 109 Ų | 109 | 143.2 Ų | 143.2 | 58% | 0.583 | 75% | 0.747 | S | S | * | * | 155.2 | 138.9 | 59.7 | -120 | -16.7 | 0 | 0 | 0 | 102.4 | |||||
| 289 | I | 48.1 | Very low | 42.8 | Very low | 122 Ų | 122 | 142.6 Ų | 142.6 | 63% | 0.626 | 74% | 0.744 | S | S | * | * | 162.3 | 130.1 | 78.1 | -103.8 | 150.9 | 0 | 0 | 0 | 105.9 | |||||
| 290 | H | 42.5 | Very low | 43 | Very low | 157 Ų | 157 | 141.9 Ų | 141.9 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | trans | 61.9 | 141.6 | 138.7 | -58.2 | -137 | 0 | 0 | 0 | 119.1 | ||||
| 291 | L | 50.2 | Low | 43.4 | Very low | 150 Ų | 150 | 139 Ų | 139 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | cis | -148.9 | 130.7 | 15.5 | -91.1 | 113.7 | 0 | 0 | 0 | 106.6 | ||||
| 292 | A | 40.5 | Very low | 42.8 | Very low | 76 Ų | 76 | 149.9 Ų | 149.9 | 63% | 0.628 | 77% | 0.769 | S | S | * | * | 59.1 | 102 | 90.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 293 | R | 42.9 | Very low | 43.1 | Very low | 240 Ų | 240 | 148.4 Ų | 148.4 | 91% | 0.906 | 77% | 0.765 | S | S | * | * | 88.1 | 124.3 | 98.6 | -87.9 | -173.9 | 176.5 | 179.7 | 0.3 | 112.6 | |||||
| 294 | L | 39.8 | Very low | 43.2 | Very low | 179 Ų | 179 | 149.5 Ų | 149.5 | 94% | 0.937 | 77% | 0.765 | S | S | * | * | -165.4 | 130.7 | 122.5 | -97.5 | 156.2 | 0 | 0 | 0 | 108.9 | |||||
| 295 | G | 39 | Very low | 43.4 | Very low | 67 Ų | 67 | 148.3 Ų | 148.3 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | trans | -90.8 | -154.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 296 | P | 60.8 | Low | 43.6 | Very low | 122 Ų | 122 | 149.5 Ų | 149.5 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | trans | -96.3 | -171.4 | -132.2 | 42.6 | -38.4 | 0 | 0 | 0 | 113.3 | ||||
| 297 | P | 48.8 | Very low | 43.8 | Very low | 122 Ų | 122 | 147.4 Ų | 147.4 | 79% | 0.792 | 77% | 0.765 | S | S | * | * | -151.8 | 172.3 | 87.1 | 37.9 | -17.2 | 0 | 0 | 0 | 117.3 | |||||
| 298 | T | 46.9 | Very low | 44 | Very low | 122 Ų | 122 | 149.1 Ų | 149.1 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -70.2 | 161 | 177.3 | 49.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 299 | H | 37.7 | Very low | 44.3 | Very low | 157 Ų | 157 | 151.9 Ų | 151.9 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | 106.1 | 133.2 | 129.4 | -130.7 | -60.2 | 0 | 0 | 0 | 121.6 | |||||
| 300 | K | 40.1 | Very low | 44.1 | Very low | 164 Ų | 164 | 154.2 Ų | 154.2 | 71% | 0.713 | 80% | 0.804 | S | S | * | * | trans | 92.8 | 111 | 142 | -108.4 | 150.5 | -165.4 | -166.5 | 0 | 121.2 | ||||
| 301 | T | 38.5 | Very low | 44.2 | Very low | 132 Ų | 132 | 154 Ų | 154 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | 45.4 | 127.1 | 128.8 | 52 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 302 | R | 45.1 | Very low | 43.6 | Very low | 317 Ų | 317 | 154.4 Ų | 154.4 | 100% | 1.196 | 81% | 0.813 | S | S | * | * | -144 | 0 | 118.2 | -166.6 | 176.3 | -158.7 | 173.7 | 5.9 | 109.6 |
Retrieved 302 of 302 residues in 135.5 ms
(Link to these results)