| 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 | 38.9 | Very low | 49.4 | Very low | 238 Ų | 238 | 84.8 Ų | 84.8 | 100% | 1.172 | 44% | 0.444 | S | S | * | . | 0 | 103.2 | 0 | -178.2 | 177.5 | -81.4 | 0 | 0 | 108.1 | K3 | M1-K3 PolarHBondContact O-N 3.28Š| |||
| 2 | V | 34.6 | Very low | 50 | Low | 143 Ų | 143 | 78.7 Ų | 78.7 | 87% | 0.867 | 41% | 0.414 | S | S | * | . | trans | -84.9 | 113.2 | -176.6 | -175 | 0 | 0 | 0 | 0 | 108.4 | S4 | V2-S4 PolarHBondContact O-N 3.19Š| ||
| 3 | K | 43.1 | Very low | 50 | Low | 160 Ų | 160 | 84.1 Ų | 84.1 | 70% | 0.696 | 44% | 0.435 | S | S | * | . | trans | -62.1 | 124.4 | 167.6 | -70 | 178.1 | 179.9 | 174 | 0 | 107 | M1 | M1-K3 PolarHBondContact O-N 3.28Š| ||
| 4 | S | 53.6 | Low | 50 | Low | 60 Ų | 60 | 78.9 Ų | 78.9 | 42% | 0.42 | 41% | 0.41 | S | S | . | . | trans | -63.4 | 148.4 | -178 | 68 | 0 | 0 | 0 | 0 | 110.1 | V2 L6 Q7 T8 | V2-S4 PolarHBondContact O-N 3.19Å; S4-L6 PolarHBondContact O-N 2.76Å; S4-L6 VanDerWaalsContact O-N 3.09Å; S4-Q7 WeakPolarHBondContact O-CA 3.39Å; S4-Q7 VanDerWaalsContact O-CB 3.3Å; S4-Q7 WeakPolarHBondContact O-CB 3.31Å; S4-Q7 PolarHBondContact O-N 2.8Å; S4-Q7 PolarHBondContact OG-N 3.37Å; S4-T8 PolarHBondContact O-N 3.22Å | ||
| 5 | N | 49.5 | Very low | 49.7 | Very low | 49 Ų | 49 | 77.3 Ų | 77.3 | 26% | 0.262 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.6 | -25.9 | 177.7 | -66.5 | -59.6 | 0 | 0 | 0 | 112.4 | T8 I9 R104 V105 K127 | N5-T8 PolarHBondContact O-N 3.49Å; N5-I9 PolarHBondContact O-N 3.38Å; N5-R104 WeakPolarHBondContact OD1-CB 3.12Å; N5-R104 PolarHBondContact OD1-N 2.95Å; N5-V105 HydrophobicContact CB-CG2 4.15Å; N5-V105 WeakPolarHBondContact O-CG2 3.32Å; N5-K127 HydrophobicContact CB-CD 4.42Å |
| 6 | L | 49.7 | Very low | 49.1 | Very low | 49 Ų | 49 | 77.2 Ų | 77.2 | 26% | 0.257 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.1 | -43.1 | 170.1 | -69.4 | 167.4 | 0 | 0 | 0 | 111.8 | S4 T8 I9 L10 K127 P198 | S4-L6 PolarHBondContact O-N 2.76Å; S4-L6 VanDerWaalsContact O-N 3.09Å; L6-T8 PolarHBondContact O-N 3.49Å; L6-I9 WeakPolarHBondContact O-CB 3.41Å; L6-I9 PolarHBondContact O-N 3.04Å; L6-I9 VanDerWaalsContact O-N 3.11Å; L6-L10 WeakPolarHBondContact O-CG 3.16Å; L6-L10 PolarHBondContact O-N 3.43Å; L6-L10 VanDerWaalsContact O-N 3.09Å; L6-K127 HydrophobicContact CD2-CD 4.34Å; L6-P198 HydrophobicContact CD2-CB 4.41Å; L6-P198 HydrophobicContact CD2-CG 3.98Å |
| 7 | Q | 55 | Low | 48.6 | Very low | 78 Ų | 78 | 86.1 Ų | 86.1 | 36% | 0.364 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.9 | -27.7 | 175.1 | -161 | 66.8 | 56 | 0 | 0 | 112.1 | S4 L10 N11 | S4-Q7 WeakPolarHBondContact O-CA 3.39Å; S4-Q7 VanDerWaalsContact O-CB 3.3Å; S4-Q7 WeakPolarHBondContact O-CB 3.31Å; S4-Q7 PolarHBondContact O-N 2.8Å; S4-Q7 PolarHBondContact OG-N 3.37Å; Q7-L10 PolarHBondContact O-N 2.76Å; Q7-N11 PolarHBondContact NE2-OD1 3.29Å; Q7-N11 WeakPolarHBondContact O-CB 3.48Å; Q7-N11 PolarHBondContact O-N 2.98Å; Q7-N11 PolarHBondContact O-OD1 3.03Å |
| 8 | T | 58 | Low | 48.3 | Very low | 27 Ų | 27 | 87.6 Ų | 87.6 | 17% | 0.166 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -72.3 | -33.3 | 174.1 | -50.7 | 0 | 0 | 0 | 0 | 112.9 | S4 N5 L6 L10 S12 P100 S103 | S4-T8 PolarHBondContact O-N 3.22Å; N5-T8 PolarHBondContact O-N 3.49Å; L6-T8 PolarHBondContact O-N 3.49Å; T8-L10 VanDerWaalsContact C-N 3.33Å; T8-S12 WeakPolarHBondContact O-CB 3.42Å; T8-S12 PolarHBondContact O-N 2.95Å; T8-P100 HydrophobicContact CG2-CG 3.76Å; T8-S103 WeakPolarHBondContact CG2-OG 3.3Å |
| 9 | I | 57.7 | Low | 47.6 | Very low | 7 Ų | 7 | 93.3 Ų | 93.3 | 4% | 0.036 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 168.1 | -67.4 | 162.2 | 0 | 0 | 0 | 110.3 | N5 L6 S12 V105 A125 K127 Y132 | N5-I9 PolarHBondContact O-N 3.38Å; L6-I9 WeakPolarHBondContact O-CB 3.41Å; L6-I9 PolarHBondContact O-N 3.04Å; L6-I9 VanDerWaalsContact O-N 3.11Å; I9-S12 PolarHBondContact O-OG 2.83Å; I9-V105 HydrophobicContact CD1-CG1 4.1Å; I9-V105 HydrophobicContact CD1-CG2 4.13Å; I9-V105 HydrophobicContact CG1-CB 4.27Å; I9-V105 HydrophobicContact CG1-CG1 3.52Å; I9-V105 HydrophobicContact CG1-CG2 3.93Å; I9-A125 HydrophobicContact CG1-CB 4.11Å; I9-A125 HydrophobicContact CG2-CB 4.37Å; I9-K127 HydrophobicContact CD1-CB 4.19Å; I9-K127 HydrophobicContact CD1-CD 3.56Å; I9-Y132 HydrophobicContact CD1-CD2 4.48Å |
| 10 | L | 53.6 | Low | 46.9 | Very low | 32 Ų | 32 | 97.6 Ų | 97.6 | 17% | 0.168 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -73.3 | -30.2 | -177.4 | -64.5 | 178.4 | 0 | 0 | 0 | 113.6 | L6 Q7 T8 P198 R200 | L6-L10 WeakPolarHBondContact O-CG 3.16Å; L6-L10 PolarHBondContact O-N 3.43Å; L6-L10 VanDerWaalsContact O-N 3.09Å; Q7-L10 PolarHBondContact O-N 2.76Å; T8-L10 VanDerWaalsContact C-N 3.33Å; L10-P198 HydrophobicContact CD1-CB 4.07Å; L10-P198 HydrophobicContact CD2-CB 3.76Å; L10-P198 HydrophobicContact CG-CB 4.04Å; L10-R200 HydrophobicContact CD2-CG 3.65Å |
| 11 | N | 49.9 | Very low | 46.3 | Very low | 90 Ų | 90 | 103.2 Ų | 103.2 | 48% | 0.481 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -97.6 | -7.9 | -177.8 | -67.8 | 7.1 | 0 | 0 | 0 | 113.8 | Q7 | Q7-N11 PolarHBondContact NE2-OD1 3.29Å; Q7-N11 WeakPolarHBondContact O-CB 3.48Å; Q7-N11 PolarHBondContact O-N 2.98Å; Q7-N11 PolarHBondContact O-OD1 3.03Å |
| 12 | S | 56.2 | Low | 46.1 | Very low | 11 Ų | 11 | 97 Ų | 97 | 8% | 0.077 | 47% | 0.469 | C | S | . | . | S | Bend | trans | -73.4 | 169.2 | 173.3 | 77.7 | 0 | 0 | 0 | 0 | 110.7 | T8 I9 C14 F107 | T8-S12 WeakPolarHBondContact O-CB 3.42Å; T8-S12 PolarHBondContact O-N 2.95Å; I9-S12 PolarHBondContact O-OG 2.83Å; S12-C14 PolarHBondContact O-N 3.27Å; S12-C14 PolarHBondContact OG-SG 2.92Å; S12-F107 WeakPolarHBondContact OG-CE1 3.44Å; S12-F107 WeakPolarHBondContact OG-CZ 3.1Å |
| 13 | H | 50.9 | Low | 45.9 | Very low | 149 Ų | 149 | 99 Ų | 99 | 69% | 0.69 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 13.3 | 179.8 | -72.2 | -82.7 | 0 | 0 | 0 | 115.4 | ||
| 14 | C | 49 | Very low | 45.4 | Very low | 12 Ų | 12 | 98.9 Ų | 98.9 | 8% | 0.081 | 47% | 0.473 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -69.7 | 162.1 | -69.6 | 0 | 0 | 0 | 0 | 110.2 | S12 R123 E134 | S12-C14 PolarHBondContact O-N 3.27Å; S12-C14 PolarHBondContact OG-SG 2.92Å; C14-R123 VanDerWaalsContact N-NH1 3.13Å; C14-R123 PolarHBondContact SG-NH1 2.92Å; C14-E134 VanDerWaalsContact CA-OE2 3.24Å; C14-E134 WeakPolarHBondContact CA-OE2 3.06Å; C14-E134 WeakPolarHBondContact CB-OE2 3.33Å |
| 15 | F | 45.4 | Very low | 44.4 | Very low | 55 Ų | 55 | 101.6 Ų | 101.6 | 24% | 0.241 | 49% | 0.489 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | 0.7 | -164 | -61.3 | -70.6 | 0 | 0 | 0 | 114.7 | R17 E134 C167 R200 | F15-R17 PolarHBondContact O-N 3.23Å; F15-E134 WeakPolarHBondContact CD1-OE1 3.31Å; F15-E134 HydrophobicContact CE1-CG 3.71Å; F15-E134 WeakPolarHBondContact CE1-OE1 3.43Å; F15-E134 HydrophobicContact CZ-CB 4.29Å; F15-E134 HydrophobicContact CZ-CG 3.84Å; F15-C167 VanDerWaalsContact CZ-SG 3.6Å; F15-R200 VanDerWaalsContact CE2-NH1 3.29Å; F15-R200 VanDerWaalsContact CE2-NH2 3.34Å; F15-R200 VanDerWaalsContact CZ-NH1 3.32Å |
| 16 | V | 39.9 | Very low | 43.5 | Very low | 75 Ų | 75 | 105.7 Ų | 105.7 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | G | 310 helix | trans | -69.1 | -23.1 | -178.3 | 177.5 | 0 | 0 | 0 | 0 | 112.2 | E18 K19 | V16-E18 PolarHBondContact O-N 2.75Å; V16-K19 PolarHBondContact O-N 3.24Å |
| 17 | R | 40.9 | Very low | 42.8 | Very low | 229 Ų | 229 | 109.8 Ų | 109.8 | 86% | 0.864 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -75.2 | -13.8 | -166.6 | -151.7 | 174.5 | 175.5 | -170.6 | -1.9 | 115.4 | F15 | F15-R17 PolarHBondContact O-N 3.23Š|
| 18 | E | 43.8 | Very low | 41.7 | Very low | 112 Ų | 112 | 114.5 Ų | 114.5 | 52% | 0.523 | 56% | 0.558 | S | S | . | * | G | 310 helix | trans | -87 | -5.2 | 176.8 | -68.5 | -163.7 | 154.7 | 0 | 0 | 114.2 | V16 S137 | V16-E18 PolarHBondContact O-N 2.75Å; E18-S137 PolarHBondContact OE1-OG 2.97Å |
| 19 | K | 35.6 | Very low | 40.4 | Very low | 196 Ų | 196 | 121.9 Ų | 121.9 | 85% | 0.852 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -86.1 | -3.5 | 179.4 | -148.9 | -171.2 | 171.3 | -175.6 | 0 | 114.6 | V16 | V16-K19 PolarHBondContact O-N 3.24Š|
| 20 | E | 32.7 | Very low | 39.1 | Very low | 180 Ų | 180 | 126.8 Ų | 126.8 | 84% | 0.841 | 63% | 0.626 | S | S | * | * | trans | -101.5 | 73.5 | 167.3 | -70.7 | -170.7 | 158 | 0 | 0 | 110.3 | P22 | E20-P22 WeakPolarHBondContact O-CD 3.47Š| ||
| 21 | R | 33.7 | Very low | 38 | Very low | 215 Ų | 215 | 129.8 Ų | 129.8 | 81% | 0.811 | 65% | 0.65 | S | S | * | * | trans | -66.4 | 127.7 | 153.3 | -66.5 | -178.6 | 179.5 | -175.1 | -2.4 | 106.9 | E23 | R21-E23 VanDerWaalsContact C-N 3.35Å; R21-E23 PolarHBondContact O-N 2.85Å | ||
| 22 | P | 35.6 | Very low | 37 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 70% | 0.701 | 67% | 0.665 | S | S | * | * | trans | -66.7 | 100.6 | 162 | 27.6 | -31 | 0 | 0 | 0 | 107.5 | E20 M24 | E20-P22 WeakPolarHBondContact O-CD 3.47Å; P22-M24 VanDerWaalsContact C-N 3.34Å; P22-M24 PolarHBondContact O-N 3.09Å | ||
| 23 | E | 30.3 | Very low | 35.9 | Very low | 185 Ų | 185 | 141.6 Ų | 141.6 | 86% | 0.864 | 70% | 0.702 | S | S | * | * | trans | -62.2 | 99.7 | 164.8 | -81.3 | -169.5 | 141.4 | 0 | 0 | 108 | R21 P25 | R21-E23 VanDerWaalsContact C-N 3.35Å; R21-E23 PolarHBondContact O-N 2.85Å; E23-P25 WeakPolarHBondContact O-CD 3.27Å | ||
| 24 | M | 32.5 | Very low | 35.3 | Very low | 157 Ų | 157 | 139.5 Ų | 139.5 | 77% | 0.773 | 70% | 0.702 | S | S | * | * | trans | -72.9 | 120.9 | 165 | -58.7 | -172.6 | -167.7 | 0 | 0 | 107.1 | P22 V26 | P22-M24 VanDerWaalsContact C-N 3.34Å; P22-M24 PolarHBondContact O-N 3.09Å; M24-V26 PolarHBondContact O-N 3.3Å; M24-V26 VanDerWaalsContact O-N 3.12Å | ||
| 25 | P | 31.8 | Very low | 34.3 | Very low | 118 Ų | 118 | 145.8 Ų | 145.8 | 77% | 0.766 | 73% | 0.73 | S | S | * | * | trans | -65.7 | 116.9 | 178.7 | 25.5 | -32.5 | 0 | 0 | 0 | 109.5 | E23 I27 | E23-P25 WeakPolarHBondContact O-CD 3.27Å; P25-I27 PolarHBondContact O-N 3.25Å; P25-I27 VanDerWaalsContact O-N 3.11Å | ||
| 26 | V | 31.1 | Very low | 33.5 | Very low | 134 Ų | 134 | 152.4 Ų | 152.4 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | trans | -69 | 106 | 171.7 | 176.1 | 0 | 0 | 0 | 0 | 108 | M24 E28 | M24-V26 PolarHBondContact O-N 3.3Å; M24-V26 VanDerWaalsContact O-N 3.12Å; V26-E28 PolarHBondContact O-N 2.83Å | ||
| 27 | I | 35.7 | Very low | 32.8 | Very low | 135 Ų | 135 | 158.7 Ų | 158.7 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | trans | -85.6 | 105.9 | 163.8 | -66.9 | 176.1 | 0 | 0 | 0 | 106.9 | P25 Q29 | P25-I27 PolarHBondContact O-N 3.25Å; P25-I27 VanDerWaalsContact O-N 3.11Å; I27-Q29 PolarHBondContact O-N 3.36Å | ||
| 28 | E | 32.2 | Very low | 32.1 | Very low | 177 Ų | 177 | 152.2 Ų | 152.2 | 83% | 0.827 | 76% | 0.761 | S | S | * | * | trans | -63.3 | 131.4 | 162 | -69.4 | -169.5 | 136.8 | 0 | 0 | 109.3 | V26 | V26-E28 PolarHBondContact O-N 2.83Š| ||
| 29 | Q | 30.2 | Very low | 31.3 | Very low | 182 Ų | 182 | 154.2 Ų | 154.2 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | trans | -150 | 128.9 | 157.4 | -124 | 160.9 | 85.3 | 0 | 0 | 111 | I27 | I27-Q29 PolarHBondContact O-N 3.36Š| ||
| 30 | S | 29.9 | Very low | 30.9 | Very low | 111 Ų | 111 | 150 Ų | 150 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | -87.9 | 142.5 | -168.7 | 56 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 31 | S | 30.6 | Very low | 30.9 | Very low | 95 Ų | 95 | 146.9 Ų | 146.9 | 66% | 0.664 | 77% | 0.767 | S | S | * | * | trans | 84.5 | 136.4 | 143.6 | -142 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 32 | N | 28.9 | Very low | 31.2 | Very low | 150 Ų | 150 | 141.8 Ų | 141.8 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | trans | 74.8 | 116.5 | 151.7 | -62 | -23.3 | 0 | 0 | 0 | 121.9 | ||||
| 33 | K | 32.3 | Very low | 31.2 | Very low | 198 Ų | 198 | 147.6 Ų | 147.6 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | trans | -66.5 | 168.5 | 147.3 | -86.7 | -178 | 176.4 | 178.8 | 0 | 110.2 | ||||
| 34 | P | 39.1 | Very low | 31.2 | Very low | 105 Ų | 105 | 150.5 Ų | 150.5 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | cis | -145.5 | 175 | 25.7 | 43.2 | -23.5 | 0 | 0 | 0 | 119.1 | ||||
| 35 | E | 28.2 | Very low | 31.6 | Very low | 145 Ų | 145 | 149.3 Ų | 149.3 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | trans | 74.2 | 137.9 | 138.9 | -98.7 | -177 | -144.7 | 0 | 0 | 125.5 | ||||
| 36 | R | 27.9 | Very low | 31.6 | Very low | 194 Ų | 194 | 148.7 Ų | 148.7 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | trans | 89.9 | 116.8 | 149.2 | -67.5 | 175.5 | -154.2 | -134.1 | -2.8 | 123 | ||||
| 37 | Y | 25.8 | Very low | 31.8 | Very low | 207 Ų | 207 | 153.6 Ų | 153.6 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | trans | 48.7 | 118.1 | 133.6 | -64.8 | -68.6 | 0 | 0 | 0 | 123.3 | ||||
| 38 | S | 26.6 | Very low | 31.6 | Very low | 93 Ų | 93 | 151.9 Ų | 151.9 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | 79.4 | 125.5 | 119.3 | -65.4 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 39 | I | 27.1 | Very low | 31.7 | Very low | 154 Ų | 154 | 149.2 Ų | 149.2 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | 87.9 | 126.5 | 136.9 | -65.8 | 163.3 | 0 | 0 | 0 | 119.8 | ||||
| 40 | S | 26.7 | Very low | 32.2 | Very low | 108 Ų | 108 | 145.3 Ų | 145.3 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | 71.2 | 128.3 | 150.2 | 76.5 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 41 | S | 31.8 | Very low | 32.6 | Very low | 114 Ų | 114 | 147.8 Ų | 147.8 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | -67.4 | 154.5 | 141.6 | -97.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 42 | P | 41.2 | Very low | 33.3 | Very low | 107 Ų | 107 | 148.6 Ų | 148.6 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | -156.2 | 172.6 | 57.4 | 41 | -19.7 | 0 | 0 | 0 | 119.2 | |||||
| 43 | R | 34.5 | Very low | 33.6 | Very low | 230 Ų | 230 | 147.6 Ų | 147.6 | 87% | 0.868 | 78% | 0.782 | S | S | * | * | trans | 21 | 124.5 | 144.5 | -53.4 | 173.9 | -165.5 | -125.9 | 5.6 | 119.4 | ||||
| 44 | R | 31.3 | Very low | 34.3 | Very low | 247 Ų | 247 | 144.4 Ų | 144.4 | 93% | 0.932 | 78% | 0.782 | S | S | * | * | 174.7 | 150.9 | 109.4 | -96 | 173.7 | -159.8 | -122.9 | 4.8 | 113.1 | |||||
| 45 | C | 40.4 | Very low | 34.3 | Very low | 132 Ų | 132 | 143 Ų | 143 | 89% | 0.892 | 79% | 0.787 | S | S | * | * | trans | -88.8 | 150.7 | 166.9 | -65.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 46 | S | 32.3 | Very low | 35.3 | Very low | 105 Ų | 105 | 142.3 Ų | 142.3 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | -160 | 117.2 | 153.1 | 50.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 47 | R | 35.1 | Very low | 36.2 | Very low | 236 Ų | 236 | 139.3 Ų | 139.3 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | 60.5 | 138.3 | 104.4 | -68 | -166.2 | 176.4 | -144.1 | 1 | 114.2 | |||||
| 48 | C | 31.7 | Very low | 36.7 | Very low | 99 Ų | 99 | 140.1 Ų | 140.1 | 67% | 0.669 | 79% | 0.794 | S | S | * | * | cis | -165.7 | -164 | 0.7 | -109.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 49 | C | 34 | Very low | 37.1 | Very low | 122 Ų | 122 | 141 Ų | 141 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | trans | 96.9 | 92.5 | -179.2 | -57.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 50 | S | 39.4 | Very low | 38.3 | Very low | 100 Ų | 100 | 141.9 Ų | 141.9 | 70% | 0.699 | 81% | 0.805 | S | S | * | * | cis | 73 | 90.8 | 45.8 | -44.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 51 | N | 39.1 | Very low | 39.3 | Very low | 163 Ų | 163 | 140.6 Ų | 140.6 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | -166.1 | 159.8 | 113.1 | -100.9 | -0.3 | 0 | 0 | 0 | 112.9 | |||||
| 52 | P | 46.3 | Very low | 39.9 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -107.8 | 159.6 | -164.7 | 39.7 | -32.6 | 0 | 0 | 0 | 114.6 | ||||
| 53 | C | 33.9 | Very low | 40.5 | Very low | 129 Ų | 129 | 144 Ų | 144 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | trans | -118.6 | 137.8 | 160.8 | -71.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 54 | P | 47.5 | Very low | 41.4 | Very low | 131 Ų | 131 | 138.2 Ų | 138.2 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | trans | -100.6 | 128.4 | -168.7 | 35.7 | -33.1 | 0 | 0 | 0 | 115.9 | ||||
| 55 | G | 40 | Very low | 42.3 | Very low | 76 Ų | 76 | 132.2 Ų | 132.2 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | trans | 78 | 169.1 | 151.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 56 | P | 47.6 | Very low | 42.8 | Very low | 130 Ų | 130 | 134.5 Ų | 134.5 | 84% | 0.844 | 80% | 0.799 | S | S | * | * | cis | -116.6 | 171.9 | 5.8 | 40.7 | -30.6 | 0 | 0 | 0 | 116.1 | ||||
| 57 | L | 46.6 | Very low | 43.6 | Very low | 130 Ų | 130 | 138.2 Ų | 138.2 | 68% | 0.681 | 80% | 0.802 | S | S | * | * | trans | -56.9 | 155.5 | 160 | -145.6 | 62.5 | 0 | 0 | 0 | 109.5 | ||||
| 58 | W | 36.5 | Very low | 44.5 | Very low | 224 Ų | 224 | 134.7 Ų | 134.7 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | cis | -139.6 | -170.7 | 23.3 | -51 | 65.4 | 0 | 0 | 0 | 109.1 | ||||
| 59 | C | 36.6 | Very low | 45.1 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | cis | -145.2 | 166.5 | 11.3 | -79.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 60 | D | 50.9 | Low | 45.8 | Very low | 171 Ų | 171 | 133 Ų | 133 | 91% | 0.914 | 80% | 0.799 | S | S | * | * | trans | -50.7 | 132.5 | 165.3 | -74.3 | -82.8 | 0 | 0 | 0 | 114.3 | ||||
| 61 | A | 48.8 | Very low | 46 | Very low | 82 Ų | 82 | 131.2 Ų | 131.2 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | trans | -141.4 | 126.8 | 156.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | L63 | A61-L63 PolarHBondContact O-N 3.34Š| ||
| 62 | P | 45 | Very low | 46.7 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 125.6 | 179.3 | 27.2 | -33 | 0 | 0 | 0 | 109.8 | ||
| 63 | L | 52.5 | Low | 46.6 | Very low | 164 Ų | 164 | 131.5 Ų | 131.5 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 124.4 | 176.3 | -67.8 | 165.6 | 0 | 0 | 0 | 110 | A61 | A61-L63 PolarHBondContact O-N 3.34Š|
| 64 | P | 52.9 | Low | 47.4 | Very low | 109 Ų | 109 | 130.6 Ų | 130.6 | 71% | 0.708 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 132.9 | 167.9 | 26.8 | -32.5 | 0 | 0 | 0 | 108.1 | L66 | P64-L66 PolarHBondContact O-N 3.26Š|
| 65 | P | 50.3 | Low | 47.7 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 122.8 | -170.4 | 23.4 | -33 | 0 | 0 | 0 | 111.3 | K67 | P65-K67 PolarHBondContact O-N 3.38Š|
| 66 | L | 50.8 | Low | 48 | Very low | 180 Ų | 180 | 134.2 Ų | 134.2 | 94% | 0.942 | 76% | 0.761 | S | S | * | * | trans | -68 | 74.4 | 170.4 | -76.8 | 168.3 | 0 | 0 | 0 | 110.9 | P64 | P64-L66 PolarHBondContact O-N 3.26Š| ||
| 67 | K | 49.1 | Very low | 47.9 | Very low | 182 Ų | 182 | 136.5 Ų | 136.5 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | trans | -136 | 79.6 | 162.8 | -90.7 | -176 | 175 | 175.7 | 0 | 108.6 | P65 P69 | P65-K67 PolarHBondContact O-N 3.38Å; K67-P69 WeakPolarHBondContact O-CD 3.33Å | ||
| 68 | I | 54.5 | Low | 47.9 | Very low | 162 Ų | 162 | 137.4 Ų | 137.4 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | trans | -78.5 | 107.9 | 141.4 | -57.8 | 176.7 | 0 | 0 | 0 | 104 | G70 | I68-G70 PolarHBondContact O-N 3.26Š| ||
| 69 | P | 44.2 | Very low | 48.5 | Very low | 108 Ų | 108 | 133.8 Ų | 133.8 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | trans | -59.8 | 127.4 | 170.5 | -14.6 | 29.9 | 0 | 0 | 0 | 106.4 | K67 G71 | K67-P69 WeakPolarHBondContact O-CD 3.33Å; P69-G71 PolarHBondContact O-N 3.33Å | ||
| 70 | G | 49 | Very low | 49.4 | Very low | 77 Ų | 77 | 132.4 Ų | 132.4 | 79% | 0.794 | 73% | 0.729 | S | S | * | * | trans | -49.4 | 105.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | I68 R72 | I68-G70 PolarHBondContact O-N 3.26Å; G70-R72 PolarHBondContact O-N 3.45Å | ||
| 71 | G | 43.3 | Very low | 49.4 | Very low | 64 Ų | 64 | 132.7 Ų | 132.7 | 66% | 0.66 | 73% | 0.729 | S | S | * | * | trans | -70.5 | 82.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | P69 G73 | P69-G71 PolarHBondContact O-N 3.33Å; G71-G73 PolarHBondContact O-N 3.05Å | ||
| 72 | R | 54.4 | Low | 50.1 | Low | 240 Ų | 240 | 131 Ų | 131 | 91% | 0.906 | 71% | 0.713 | S | S | * | * | trans | -68.1 | 79.2 | 169.2 | -159.5 | 174.5 | -168.9 | 169.2 | 2.5 | 106.5 | G70 N74 | G70-R72 PolarHBondContact O-N 3.45Å; R72-N74 PolarHBondContact O-N 2.84Å | ||
| 73 | G | 44.3 | Very low | 51.6 | Low | 41 Ų | 41 | 126.1 Ų | 126.1 | 42% | 0.423 | 68% | 0.683 | S | S | . | * | trans | -57.7 | 105.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | G71 | G71-G73 PolarHBondContact O-N 3.05Š| ||
| 74 | N | 51.2 | Low | 53.2 | Low | 110 Ų | 110 | 122.6 Ų | 122.6 | 59% | 0.588 | 67% | 0.669 | S | S | * | * | trans | -62.2 | 133.5 | 154.1 | -167.2 | 17.6 | 0 | 0 | 0 | 105.7 | R72 Q76 R77 | R72-N74 PolarHBondContact O-N 2.84Å; N74-Q76 HydrophobicContact CB-CB 4.3Å; N74-Q76 PolarHBondContact O-N 3.06Å; N74-R77 PolarHBondContact O-N 2.83Å | ||
| 75 | D | 53.8 | Low | 55 | Low | 149 Ų | 149 | 122.9 Ų | 122.9 | 80% | 0.797 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -58.5 | -10.3 | -175.4 | -56.6 | -85.7 | 0 | 0 | 0 | 113.1 | R77 | D75-R77 PolarHBondContact O-N 2.97Š|
| 76 | Q | 45.3 | Very low | 57 | Low | 134 Ų | 134 | 120.8 Ų | 120.8 | 63% | 0.626 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -54.8 | 6.6 | 163.5 | -147.6 | 73.6 | 51.5 | 0 | 0 | 116.5 | N74 | N74-Q76 HydrophobicContact CB-CB 4.3Å; N74-Q76 PolarHBondContact O-N 3.06Å |
| 77 | R | 45.8 | Very low | 58.9 | Low | 178 Ų | 178 | 115.2 Ų | 115.2 | 67% | 0.672 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -100 | -10.2 | -179.4 | -140.6 | -177.9 | -76.2 | -172.9 | -3.7 | 114.8 | N74 D75 | N74-R77 PolarHBondContact O-N 2.83Å; D75-R77 PolarHBondContact O-N 2.97Å |
| 78 | D | 46.5 | Very low | 61 | Low | 149 Ų | 149 | 109.1 Ų | 109.1 | 80% | 0.797 | 59% | 0.59 | S | S | * | * | trans | -98.4 | 18.2 | 176.7 | -64.7 | -11.6 | 0 | 0 | 0 | 112.9 | N80 | D78-N80 VanDerWaalsContact C-N 3.35Å; D78-N80 PolarHBondContact O-N 3.49Å | ||
| 79 | R | 50.3 | Low | 62.8 | Low | 148 Ų | 148 | 103.9 Ų | 103.9 | 56% | 0.558 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -68.2 | 95.8 | 169.3 | -168.4 | 175.1 | -164.5 | 166.1 | 8.7 | 108.2 | L81 E111 | R79-L81 PolarHBondContact O-N 2.69Å; R79-E111 IonicContact NH2-OE2 3.44Å |
| 80 | N | 55.1 | Low | 64.9 | Low | 83 Ų | 83 | 102 Ų | 102 | 44% | 0.444 | 56% | 0.557 | S | S | . | * | trans | -23.3 | 96.1 | -178.2 | -108.5 | -48.6 | 0 | 0 | 0 | 112.8 | D78 S82 A83 | D78-N80 VanDerWaalsContact C-N 3.35Å; D78-N80 PolarHBondContact O-N 3.49Å; N80-S82 PolarHBondContact O-N 2.9Å; N80-A83 HydrophobicContact CB-CB 4.05Å; N80-A83 PolarHBondContact O-N 2.69Å | ||
| 81 | L | 50.6 | Low | 66.8 | Low | 177 Ų | 177 | 103.6 Ų | 103.6 | 93% | 0.927 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -3.7 | -173.5 | -69.4 | 170.1 | 0 | 0 | 0 | 113.5 | R79 | R79-L81 PolarHBondContact O-N 2.69Š|
| 82 | S | 62.8 | Low | 69.1 | Low | 47 Ų | 47 | 100.8 Ų | 100.8 | 33% | 0.329 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -1.5 | 178.1 | 54.3 | 0 | 0 | 0 | 0 | 114.3 | N80 S98 | N80-S82 PolarHBondContact O-N 2.9Å; S82-S98 WeakPolarHBondContact CB-OG 3.33Å; S82-S98 PolarHBondContact O-N 2.99Å |
| 83 | A | 76.1 | Confident | 71 | Confident | 26 Ų | 26 | 90.9 Ų | 90.9 | 22% | 0.215 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 115.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | N80 L95 E96 L109 | N80-A83 HydrophobicContact CB-CB 4.05Å; N80-A83 PolarHBondContact O-N 2.69Å; A83-L95 HydrophobicContact CB-CB 4.14Å; A83-L95 HydrophobicContact CB-CD1 4.48Å; A83-E96 CarbonylContact C-O 3.52Å; A83-E96 VanDerWaalsContact CA-O 3.31Å; A83-E96 WeakPolarHBondContact CA-O 3.49Å; A83-L109 HydrophobicContact CB-CD1 4.35Å |
| 84 | T | 87.5 | Confident | 73.3 | Confident | 89 Ų | 89 | 88.9 Ų | 88.9 | 55% | 0.546 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 148.7 | 177 | 48.3 | 0 | 0 | 0 | 0 | 111.4 | F86 L95 E96 | T84-F86 PolarHBondContact O-N 3.44Å; T84-L95 CarbonylContact O-C 3.58Å; T84-L95 VanDerWaalsContact O-CA 3.32Å; T84-L95 WeakPolarHBondContact O-CA 3.41Å; T84-E96 PolarHBondContact N-O 3.24Å; T84-E96 PolarHBondContact O-N 3.11Å; T84-E96 PolarHBondContact OG1-O 3.33Å |
| 85 | L | 90.8 | Very high | 75.3 | Confident | 116 Ų | 116 | 84.6 Ų | 84.6 | 61% | 0.607 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 121.1 | 174.6 | 178.8 | 61.2 | 0 | 0 | 0 | 110.6 | Y87 L93 L95 | L85-Y87 VanDerWaalsContact CD1-O 3.32Å; L85-Y87 WeakPolarHBondContact CD1-O 3.42Å; L85-L93 HydrophobicContact CD1-CD1 3.39Å; L85-L95 HydrophobicContact CB-CD2 4.45Å; L85-L95 HydrophobicContact CD1-CD2 3.97Å |
| 86 | F | 90.9 | Very high | 77 | Confident | 76 Ų | 76 | 79 Ų | 79 | 33% | 0.333 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | -43.9 | 173.5 | -179.8 | -117.9 | 0 | 0 | 0 | 111.7 | T84 V94 E96 L108 F154 L159 | T84-F86 PolarHBondContact O-N 3.44Å; F86-V94 WeakPolarHBondContact CA-O 3.37Å; F86-V94 HydrophobicContact CB-CG1 4.46Å; F86-V94 WeakPolarHBondContact CB-O 3.35Å; F86-V94 HydrophobicContact CD1-CB 4.4Å; F86-V94 HydrophobicContact CD1-CG1 3.99Å; F86-V94 PolarHBondContact N-O 2.84Å; F86-E96 HydrophobicContact CB-CB 4.1Å; F86-L108 HydrophobicContact CD1-CD2 4.04Å; F86-L108 HydrophobicContact CG-CD2 4.32Å; F86-F154 HydrophobicContact CD1-CZ 4.04Å; F86-F154 HydrophobicContact CE1-CE1 4.19Å; F86-F154 AromaticContact CE1-CZ 3.79Å; F86-F154 HydrophobicContact CE1-CZ 3.79Å; F86-L159 HydrophobicContact CE1-CD2 3.85Å; F86-L159 HydrophobicContact CZ-CD2 4.31Å |
| 87 | Y | 92.3 | Very high | 79 | Confident | 64 Ų | 64 | 73.6 Ų | 73.6 | 25% | 0.251 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 154.1 | 179.4 | 175.2 | -90.2 | 0 | 0 | 0 | 111.6 | L85 D89 V94 F154 Q158 | L85-Y87 VanDerWaalsContact CD1-O 3.32Å; L85-Y87 WeakPolarHBondContact CD1-O 3.42Å; Y87-D89 HydrophobicContact CE1-CB 3.85Å; Y87-D89 VanDerWaalsContact CE1-OD2 3.28Å; Y87-D89 WeakPolarHBondContact CE1-OD2 3.32Å; Y87-D89 PolarHBondContact OH-OD2 2.79Å; Y87-D89 VanDerWaalsContact OH-OD2 3.12Å; Y87-V94 HydrophobicContact CD1-CG2 4.25Å; Y87-V94 PolarHBondContact N-O 2.85Å; Y87-V94 PolarHBondContact O-N 2.87Å; Y87-F154 AromaticContact CD1-CD2 3.91Å; Y87-F154 HydrophobicContact CD1-CD2 3.91Å; Y87-F154 AromaticContact CD1-CE2 3.38Å; Y87-F154 HydrophobicContact CD1-CE2 3.38Å; Y87-F154 HydrophobicContact CD1-CZ 4.34Å; Y87-F154 AromaticContact CD2-CE2 3.86Å; Y87-F154 HydrophobicContact CD2-CE2 3.86Å; Y87-F154 AromaticContact CE1-CD2 3.94Å; Y87-F154 HydrophobicContact CE1-CD2 3.94Å; Y87-F154 AromaticContact CE1-CE2 3.79Å; Y87-F154 HydrophobicContact CE1-CE2 3.79Å; Y87-F154 HydrophobicContact CE2-CE2 4.21Å; Y87-F154 HydrophobicContact CG-CD2 4.35Å; Y87-F154 AromaticContact CG-CE2 3.41Å; Y87-F154 HydrophobicContact CG-CE2 3.41Å; Y87-F154 VanDerWaalsContact CG-CE2 3.41Å; Y87-F154 HydrophobicContact CG-CZ 4.11Å; Y87-Q158 HydrophobicContact CE2-CG 4.29Å |
| 88 | S | 92.9 | Very high | 80.3 | Confident | 54 Ų | 54 | 68.4 Ų | 68.4 | 38% | 0.378 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 130.7 | 171.7 | 166.4 | 0 | 0 | 0 | 0 | 111.1 | L92 R113 | S88-L92 WeakPolarHBondContact CA-O 3.46Å; S88-R113 PolarHBondContact OG-NH1 2.8Å |
| 89 | D | 90.9 | Very high | 81.2 | Confident | 52 Ų | 52 | 64.5 Ų | 64.5 | 28% | 0.278 | 35% | 0.352 | S | S | . | . | trans | -124.4 | -154.2 | 169.6 | 65.9 | 29.9 | 0 | 0 | 0 | 111 | Y87 H91 L92 R113 | Y87-D89 HydrophobicContact CE1-CB 3.85Å; Y87-D89 VanDerWaalsContact CE1-OD2 3.28Å; Y87-D89 WeakPolarHBondContact CE1-OD2 3.32Å; Y87-D89 PolarHBondContact OH-OD2 2.79Å; Y87-D89 VanDerWaalsContact OH-OD2 3.12Å; D89-H91 WeakPolarHBondContact OD1-CA 3.47Å; D89-H91 PolarHBondContact OD1-N 2.8Å; D89-L92 PolarHBondContact N-O 2.9Å; D89-L92 PolarHBondContact OD1-N 3.24Å; D89-R113 VanDerWaalsContact O-CD 3.27Å; D89-R113 WeakPolarHBondContact O-CD 3.46Å; D89-R113 PolarHBondContact O-NE 2.76Å; D89-R113 PolarHBondContact O-NH1 2.93Å | ||
| 90 | A | 89 | Confident | 81.8 | Confident | 69 Ų | 69 | 60.2 Ų | 60.2 | 57% | 0.57 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -74.4 | -27.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 91 | H | 89.6 | Confident | 81.7 | Confident | 110 Ų | 110 | 60.9 Ų | 60.9 | 51% | 0.509 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -116.4 | -24.4 | -167.7 | -59.4 | -60.3 | 0 | 0 | 0 | 113.9 | D89 R113 L150 | D89-H91 WeakPolarHBondContact OD1-CA 3.47Å; D89-H91 PolarHBondContact OD1-N 2.8Å; H91-R113 PolarHBondContact O-N 2.81Å; H91-L150 HydrophobicContact CB-CD1 3.99Å; H91-L150 HydrophobicContact CB-CD2 3.9Å |
| 92 | L | 91.7 | Very high | 82.1 | Confident | 4 Ų | 4 | 60.4 Ų | 60.4 | 2% | 0.021 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 141.2 | -172.1 | -175.4 | 64.1 | 0 | 0 | 0 | 111.5 | S88 D89 V94 F110 F154 | S88-L92 WeakPolarHBondContact CA-O 3.46Å; D89-L92 PolarHBondContact N-O 2.9Å; D89-L92 PolarHBondContact OD1-N 3.24Å; L92-V94 HydrophobicContact CD1-CG2 4.47Å; L92-V94 HydrophobicContact CD2-CG2 3.82Å; L92-V94 HydrophobicContact CG-CG2 3.86Å; L92-F110 HydrophobicContact CD1-CB 4.15Å; L92-F110 HydrophobicContact CD1-CD1 4.22Å; L92-F110 HydrophobicContact CD2-CD1 4.17Å; L92-F154 HydrophobicContact CD2-CB 3.71Å; L92-F154 HydrophobicContact CD2-CD2 3.85Å; L92-F154 HydrophobicContact CD2-CG 3.87Å |
| 93 | L | 93 | Very high | 82.3 | Confident | 32 Ų | 32 | 59.2 Ų | 59.2 | 17% | 0.168 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 124 | 170.4 | 173.3 | 68.6 | 0 | 0 | 0 | 107.3 | L85 L95 E111 R113 | L85-L93 HydrophobicContact CD1-CD1 3.39Å; L93-L95 HydrophobicContact CD1-CD2 4.05Å; L93-L95 HydrophobicContact CD2-CD2 4.38Å; L93-L95 HydrophobicContact CG-CD2 4.06Å; L93-L95 HydrophobicContact CG-CG 4.41Å; L93-E111 HydrophobicContact CB-CB 4.17Å; L93-E111 WeakPolarHBondContact CB-O 3.32Å; L93-E111 HydrophobicContact CD2-CB 4.34Å; L93-E111 WeakPolarHBondContact CD2-OE2 3.27Å; L93-E111 HydrophobicContact CG-CB 4.5Å; L93-E111 PolarHBondContact N-O 3Å; L93-E111 PolarHBondContact O-N 2.89Å; L93-R113 HydrophobicContact CB-CG 4.03Å |
| 94 | V | 93.3 | Very high | 82.4 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 123.3 | 177.6 | -169.2 | 0 | 0 | 0 | 0 | 109.5 | F86 Y87 L92 L108 L109 F110 F154 | F86-V94 WeakPolarHBondContact CA-O 3.37Å; F86-V94 HydrophobicContact CB-CG1 4.46Å; F86-V94 WeakPolarHBondContact CB-O 3.35Å; F86-V94 HydrophobicContact CD1-CB 4.4Å; F86-V94 HydrophobicContact CD1-CG1 3.99Å; F86-V94 PolarHBondContact N-O 2.84Å; Y87-V94 HydrophobicContact CD1-CG2 4.25Å; Y87-V94 PolarHBondContact N-O 2.85Å; Y87-V94 PolarHBondContact O-N 2.87Å; L92-V94 HydrophobicContact CD1-CG2 4.47Å; L92-V94 HydrophobicContact CD2-CG2 3.82Å; L92-V94 HydrophobicContact CG-CG2 3.86Å; V94-L108 HydrophobicContact CG1-CB 4.14Å; V94-L108 HydrophobicContact CG1-CD2 4.25Å; V94-L109 CarbonylContact C-O 3.5Å; V94-L109 VanDerWaalsContact CA-O 3.29Å; V94-L109 WeakPolarHBondContact CA-O 3.48Å; V94-F110 HydrophobicContact CG1-CD1 4.48Å; V94-F110 HydrophobicContact CG1-CE1 4.39Å; V94-F110 HydrophobicContact CG1-CZ 4.42Å; V94-F110 HydrophobicContact CG2-CD1 3.9Å; V94-F110 HydrophobicContact CG2-CE1 4.11Å; V94-F154 HydrophobicContact CB-CZ 4.27Å; V94-F154 HydrophobicContact CG1-CE1 4.32Å; V94-F154 HydrophobicContact CG1-CZ 4.41Å; V94-F154 HydrophobicContact CG2-CD1 4.35Å; V94-F154 HydrophobicContact CG2-CD2 4.18Å; V94-F154 HydrophobicContact CG2-CE1 4.03Å; V94-F154 HydrophobicContact CG2-CE2 3.92Å; V94-F154 HydrophobicContact CG2-CG 4.39Å; V94-F154 HydrophobicContact CG2-CZ 3.82Å |
| 95 | L | 92.6 | Very high | 82.3 | Confident | 20 Ų | 20 | 63.5 Ų | 63.5 | 11% | 0.105 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 139.1 | 176.4 | -48.5 | 176.8 | 0 | 0 | 0 | 109.5 | A83 T84 L85 L93 L108 L109 | A83-L95 HydrophobicContact CB-CB 4.14Å; A83-L95 HydrophobicContact CB-CD1 4.48Å; T84-L95 CarbonylContact O-C 3.58Å; T84-L95 VanDerWaalsContact O-CA 3.32Å; T84-L95 WeakPolarHBondContact O-CA 3.41Å; L85-L95 HydrophobicContact CB-CD2 4.45Å; L85-L95 HydrophobicContact CD1-CD2 3.97Å; L93-L95 HydrophobicContact CD1-CD2 4.05Å; L93-L95 HydrophobicContact CD2-CD2 4.38Å; L93-L95 HydrophobicContact CG-CD2 4.06Å; L93-L95 HydrophobicContact CG-CG 4.41Å; L95-L108 CarbonylContact O-C 3.59Å; L95-L108 WeakPolarHBondContact O-CA 3.46Å; L95-L109 HydrophobicContact CB-CB 4.28Å; L95-L109 PolarHBondContact N-O 2.93Å; L95-L109 PolarHBondContact O-N 3.09Å |
| 96 | E | 90.8 | Very high | 82.2 | Confident | 32 Ų | 32 | 61.5 Ų | 61.5 | 15% | 0.15 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 121.2 | 172.4 | 177 | 166.7 | -158.7 | 0 | 0 | 110.2 | A83 T84 F86 R106 F107 L108 | A83-E96 CarbonylContact C-O 3.52Å; A83-E96 VanDerWaalsContact CA-O 3.31Å; A83-E96 WeakPolarHBondContact CA-O 3.49Å; T84-E96 PolarHBondContact N-O 3.24Å; T84-E96 PolarHBondContact O-N 3.11Å; T84-E96 PolarHBondContact OG1-O 3.33Å; F86-E96 HydrophobicContact CB-CB 4.1Å; E96-R106 VanDerWaalsContact CD-NH2 3.34Å; E96-R106 WeakPolarHBondContact OE1-CB 3.24Å; E96-R106 VanDerWaalsContact OE1-CG 3.27Å; E96-R106 WeakPolarHBondContact OE1-CG 3.29Å; E96-R106 IonicContact OE1-CZ 3.53Å; E96-R106 IonicContact OE1-NE 3.53Å; E96-R106 PolarHBondContact OE1-NE 2.75Å; E96-R106 IonicContact OE1-NH2 3.58Å; E96-R106 IonicContact OE2-CZ 3.5Å; E96-R106 IonicContact OE2-NE 2.69Å; E96-R106 PolarHBondContact OE2-NE 2.86Å; E96-R106 IonicContact OE2-NH2 3.49Å; E96-R106 PolarHBondContact OE2-NH2 2.83Å; E96-F107 CarbonylContact C-O 3.57Å; E96-F107 WeakPolarHBondContact CA-O 3.28Å; E96-L108 HydrophobicContact CB-CD2 3.93Å; E96-L108 HydrophobicContact CG-CD2 4.29Å |
| 97 | E | 86.5 | Confident | 82.1 | Confident | 19 Ų | 19 | 58 Ų | 58 | 9% | 0.089 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 137.9 | 171.4 | -59.3 | 176.4 | -179.8 | 0 | 0 | 110.3 | P99 F107 L109 R123 | E97-P99 VanDerWaalsContact O-N 3.13Å; E97-F107 HydrophobicContact CB-CB 4.11Å; E97-F107 HydrophobicContact CG-CB 4.4Å; E97-F107 PolarHBondContact N-O 3.11Å; E97-L109 HydrophobicContact CG-CD1 3.84Å; E97-L109 HydrophobicContact CG-CG 4.22Å; E97-R123 IonicContact OE1-CZ 2.76Å; E97-R123 IonicContact OE1-NE 3.72Å; E97-R123 PolarHBondContact OE1-NE 3.44Å; E97-R123 IonicContact OE1-NH2 3.49Å; E97-R123 PolarHBondContact OE1-NH2 2.96Å; E97-R123 IonicContact OE2-CZ 3.3Å; E97-R123 IonicContact OE2-NE 3.21Å; E97-R123 IonicContact OE2-NH2 2.69Å; E97-R123 PolarHBondContact OE2-NH2 3.36Å |
| 98 | S | 74.1 | Confident | 82.1 | Confident | 69 Ų | 69 | 54.9 Ų | 54.9 | 48% | 0.483 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -50.1 | 120.6 | 177.3 | 70 | 0 | 0 | 0 | 0 | 111.4 | S82 | S82-S98 WeakPolarHBondContact CB-OG 3.33Å; S82-S98 PolarHBondContact O-N 2.99Å |
| 99 | P | 65.4 | Low | 82.1 | Confident | 67 Ų | 67 | 53.1 Ų | 53.1 | 44% | 0.435 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 135.5 | -175 | 23.7 | -32.9 | 0 | 0 | 0 | 110.7 | E97 A101 | E97-P99 VanDerWaalsContact O-N 3.13Å; P99-A101 PolarHBondContact O-N 2.79Å |
| 100 | P | 61.8 | Low | 82.1 | Confident | 58 Ų | 58 | 50.7 Ų | 50.7 | 38% | 0.377 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 136.1 | 169.5 | 25.5 | -32.4 | 0 | 0 | 0 | 108.9 | T8 N102 S103 F107 | T8-P100 HydrophobicContact CG2-CG 3.76Å; P100-N102 PolarHBondContact O-N 2.89Å; P100-S103 WeakPolarHBondContact O-CB 3.4Å; P100-S103 PolarHBondContact O-N 3.49Å; P100-F107 HydrophobicContact CG-CE2 4.41Å |
| 101 | A | 53.6 | Low | 82.2 | Confident | 97 Ų | 97 | 49.7 Ų | 49.7 | 80% | 0.802 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.5 | 131.7 | -164.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | P99 S103 | P99-A101 PolarHBondContact O-N 2.79Å; A101-S103 VanDerWaalsContact C-N 3.34Å; A101-S103 PolarHBondContact O-N 2.8Å |
| 102 | N | 57.8 | Low | 82.2 | Confident | 167 Ų | 167 | 45 Ų | 45 | 89% | 0.893 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 18.7 | -176.7 | -56.8 | -38.5 | 0 | 0 | 0 | 116.6 | P100 | P100-N102 PolarHBondContact O-N 2.89Š|
| 103 | S | 67.6 | Low | 81.8 | Confident | 22 Ų | 22 | 51 Ų | 51 | 15% | 0.154 | 27% | 0.267 | C | S | . | . | trans | -72.5 | 128.6 | 170.8 | -175.3 | 0 | 0 | 0 | 0 | 112.9 | T8 P100 A101 V105 | T8-S103 WeakPolarHBondContact CG2-OG 3.3Å; P100-S103 WeakPolarHBondContact O-CB 3.4Å; P100-S103 PolarHBondContact O-N 3.49Å; A101-S103 VanDerWaalsContact C-N 3.34Å; A101-S103 PolarHBondContact O-N 2.8Å; S103-V105 PolarHBondContact O-N 3.12Å; S103-V105 WeakPolarHBondContact OG-CA 3.44Å; S103-V105 VanDerWaalsContact OG-CB 3.31Å; S103-V105 WeakPolarHBondContact OG-CB 3.49Å; S103-V105 PolarHBondContact OG-N 3.41Å; S103-V105 PolarHBondContact OG-O 3.31Å | ||
| 104 | R | 78.5 | Confident | 80.9 | Confident | 205 Ų | 205 | 55.4 Ų | 55.4 | 77% | 0.774 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -85.1 | 18.4 | 161.4 | -59.3 | -168.1 | -178.2 | -177.6 | -1.6 | 113.2 | N5 | N5-R104 WeakPolarHBondContact OD1-CB 3.12Å; N5-R104 PolarHBondContact OD1-N 2.95Å |
| 105 | V | 85.3 | Confident | 79.2 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | trans | -120.9 | 126.9 | -178 | -177.1 | 0 | 0 | 0 | 0 | 107.9 | N5 I9 S103 F107 A125 L126 K127 | N5-V105 HydrophobicContact CB-CG2 4.15Å; N5-V105 WeakPolarHBondContact O-CG2 3.32Å; I9-V105 HydrophobicContact CD1-CG1 4.1Å; I9-V105 HydrophobicContact CD1-CG2 4.13Å; I9-V105 HydrophobicContact CG1-CB 4.27Å; I9-V105 HydrophobicContact CG1-CG1 3.52Å; I9-V105 HydrophobicContact CG1-CG2 3.93Å; S103-V105 PolarHBondContact O-N 3.12Å; S103-V105 WeakPolarHBondContact OG-CA 3.44Å; S103-V105 VanDerWaalsContact OG-CB 3.31Å; S103-V105 WeakPolarHBondContact OG-CB 3.49Å; S103-V105 PolarHBondContact OG-N 3.41Å; S103-V105 PolarHBondContact OG-O 3.31Å; V105-F107 HydrophobicContact CG1-CE1 4.2Å; V105-F107 HydrophobicContact CG1-CE2 4.22Å; V105-F107 HydrophobicContact CG1-CZ 3.87Å; V105-A125 HydrophobicContact CG1-CB 3.85Å; V105-L126 WeakPolarHBondContact CA-O 3.45Å; V105-K127 HydrophobicContact CG1-CB 4.48Å; V105-K127 HydrophobicContact CG2-CB 4.11Å; V105-K127 HydrophobicContact CG2-CD 3.93Å; V105-K127 HydrophobicContact CG2-CG 4.08Å | ||
| 106 | R | 87.8 | Confident | 77.7 | Confident | 73 Ų | 73 | 69.9 Ų | 69.9 | 28% | 0.275 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 134.5 | 178.3 | -60.3 | 173.2 | 63.9 | -144.7 | -7.1 | 108.1 | E96 A125 L126 | E96-R106 VanDerWaalsContact CD-NH2 3.34Å; E96-R106 WeakPolarHBondContact OE1-CB 3.24Å; E96-R106 VanDerWaalsContact OE1-CG 3.27Å; E96-R106 WeakPolarHBondContact OE1-CG 3.29Å; E96-R106 IonicContact OE1-CZ 3.53Å; E96-R106 IonicContact OE1-NE 3.53Å; E96-R106 PolarHBondContact OE1-NE 2.75Å; E96-R106 IonicContact OE1-NH2 3.58Å; E96-R106 IonicContact OE2-CZ 3.5Å; E96-R106 IonicContact OE2-NE 2.69Å; E96-R106 PolarHBondContact OE2-NE 2.86Å; E96-R106 IonicContact OE2-NH2 3.49Å; E96-R106 PolarHBondContact OE2-NH2 2.83Å; R106-A125 CarbonylContact O-C 3.44Å; R106-A125 WeakPolarHBondContact O-CA 3.43Å; R106-L126 HydrophobicContact CB-CB 4.42Å; R106-L126 PolarHBondContact N-O 2.86Å; R106-L126 PolarHBondContact O-N 3.37Å |
| 107 | F | 90.1 | Very high | 76.3 | Confident | 2 Ų | 2 | 71.4 Ų | 71.4 | 1% | 0.009 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 123.9 | 177.5 | -66.3 | -78.6 | 0 | 0 | 0 | 108.9 | S12 E96 E97 P100 V105 A124 A125 | S12-F107 WeakPolarHBondContact OG-CE1 3.44Å; S12-F107 WeakPolarHBondContact OG-CZ 3.1Å; E96-F107 CarbonylContact C-O 3.57Å; E96-F107 WeakPolarHBondContact CA-O 3.28Å; E97-F107 HydrophobicContact CB-CB 4.11Å; E97-F107 HydrophobicContact CG-CB 4.4Å; E97-F107 PolarHBondContact N-O 3.11Å; P100-F107 HydrophobicContact CG-CE2 4.41Å; V105-F107 HydrophobicContact CG1-CE1 4.2Å; V105-F107 HydrophobicContact CG1-CE2 4.22Å; V105-F107 HydrophobicContact CG1-CZ 3.87Å; F107-A124 CarbonylContact C-O 3.52Å; F107-A124 WeakPolarHBondContact CA-O 3.46Å; F107-A125 HydrophobicContact CD1-CB 3.79Å; F107-A125 HydrophobicContact CE1-CB 3.59Å |
| 108 | L | 92.4 | Very high | 75.2 | Confident | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 134.5 | -175 | -61 | 179.8 | 0 | 0 | 0 | 109.8 | F86 V94 L95 E96 F110 A124 L126 L159 | F86-L108 HydrophobicContact CD1-CD2 4.04Å; F86-L108 HydrophobicContact CG-CD2 4.32Å; V94-L108 HydrophobicContact CG1-CB 4.14Å; V94-L108 HydrophobicContact CG1-CD2 4.25Å; L95-L108 CarbonylContact O-C 3.59Å; L95-L108 WeakPolarHBondContact O-CA 3.46Å; E96-L108 HydrophobicContact CB-CD2 3.93Å; E96-L108 HydrophobicContact CG-CD2 4.29Å; L108-F110 HydrophobicContact CB-CD2 4.27Å; L108-F110 HydrophobicContact CB-CE2 3.57Å; L108-F110 HydrophobicContact CB-CZ 4.21Å; L108-F110 HydrophobicContact CD1-CE2 4.37Å; L108-F110 HydrophobicContact CD1-CZ 4.22Å; L108-A124 PolarHBondContact N-O 3.1Å; L108-A124 PolarHBondContact O-N 2.78Å; L108-L126 HydrophobicContact CD1-CB 4.25Å; L108-L126 HydrophobicContact CD1-CD2 4.28Å; L108-L159 HydrophobicContact CD1-CD1 3.89Å; L108-L159 HydrophobicContact CD1-CD2 4.23Å |
| 109 | L | 92.3 | Very high | 75 | Confident | 17 Ų | 17 | 82 Ų | 82 | 9% | 0.089 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 120.7 | 174 | -67.8 | 167 | 0 | 0 | 0 | 108.1 | A83 V94 L95 E97 V121 W122 R123 | A83-L109 HydrophobicContact CB-CD1 4.35Å; V94-L109 CarbonylContact C-O 3.5Å; V94-L109 VanDerWaalsContact CA-O 3.29Å; V94-L109 WeakPolarHBondContact CA-O 3.48Å; L95-L109 HydrophobicContact CB-CB 4.28Å; L95-L109 PolarHBondContact N-O 2.93Å; L95-L109 PolarHBondContact O-N 3.09Å; E97-L109 HydrophobicContact CG-CD1 3.84Å; E97-L109 HydrophobicContact CG-CG 4.22Å; L109-V121 HydrophobicContact CD2-CG1 4.33Å; L109-W122 WeakPolarHBondContact CA-O 3.49Å; L109-R123 HydrophobicContact CD2-CB 3.91Å; L109-R123 HydrophobicContact CD2-CG 3.66Å |
| 110 | F | 92.1 | Very high | 75.7 | Confident | 1 Ų | 1 | 79.2 Ų | 79.2 | 0% | 0.004 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 105.7 | -178.4 | -65.3 | -107.7 | 0 | 0 | 0 | 108.7 | L92 V94 L108 V121 W122 A124 L131 L151 F154 L159 | L92-F110 HydrophobicContact CD1-CB 4.15Å; L92-F110 HydrophobicContact CD1-CD1 4.22Å; L92-F110 HydrophobicContact CD2-CD1 4.17Å; V94-F110 HydrophobicContact CG1-CD1 4.48Å; V94-F110 HydrophobicContact CG1-CE1 4.39Å; V94-F110 HydrophobicContact CG1-CZ 4.42Å; V94-F110 HydrophobicContact CG2-CD1 3.9Å; V94-F110 HydrophobicContact CG2-CE1 4.11Å; L108-F110 HydrophobicContact CB-CD2 4.27Å; L108-F110 HydrophobicContact CB-CE2 3.57Å; L108-F110 HydrophobicContact CB-CZ 4.21Å; L108-F110 HydrophobicContact CD1-CE2 4.37Å; L108-F110 HydrophobicContact CD1-CZ 4.22Å; F110-V121 WeakPolarHBondContact O-CA 3.28Å; F110-W122 HydrophobicContact CB-CB 4.14Å; F110-W122 PolarHBondContact N-O 2.82Å; F110-W122 PolarHBondContact O-N 3.38Å; F110-A124 HydrophobicContact CE2-CB 3.96Å; F110-L131 HydrophobicContact CZ-CD2 4.24Å; F110-L151 HydrophobicContact CB-CD1 4.35Å; F110-L151 HydrophobicContact CD1-CB 4.18Å; F110-L151 HydrophobicContact CD1-CD1 4.14Å; F110-L151 HydrophobicContact CD1-CG 3.92Å; F110-L151 HydrophobicContact CD2-CD1 4Å; F110-L151 HydrophobicContact CE1-CB 4.48Å; F110-L151 HydrophobicContact CE1-CD1 4.43Å; F110-L151 HydrophobicContact CE1-CG 3.92Å; F110-L151 HydrophobicContact CE2-CD1 4.32Å; F110-L151 HydrophobicContact CG-CD1 3.92Å; F110-L151 HydrophobicContact CG-CG 4.23Å; F110-L151 HydrophobicContact CZ-CG 4.25Å; F110-F154 HydrophobicContact CD1-CD1 4.46Å; F110-F154 HydrophobicContact CE1-CB 4.29Å; F110-F154 AromaticContact CE1-CD1 3.43Å; F110-F154 HydrophobicContact CE1-CD1 3.43Å; F110-F154 VanDerWaalsContact CE1-CD1 3.43Å; F110-F154 HydrophobicContact CE1-CE1 4.01Å; F110-F154 HydrophobicContact CE1-CG 4.04Å; F110-F154 HydrophobicContact CZ-CD1 4.01Å; F110-F154 HydrophobicContact CZ-CE1 4.32Å; F110-L159 HydrophobicContact CZ-CD1 4.47Å |
| 111 | E | 90.9 | Very high | 76.9 | Confident | 47 Ų | 47 | 79.5 Ų | 79.5 | 22% | 0.22 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 107.4 | 178.1 | -61.5 | -171.7 | 174.8 | 0 | 0 | 109.3 | R79 L93 R113 V121 | R79-E111 IonicContact NH2-OE2 3.44Å; L93-E111 HydrophobicContact CB-CB 4.17Å; L93-E111 WeakPolarHBondContact CB-O 3.32Å; L93-E111 HydrophobicContact CD2-CB 4.34Å; L93-E111 WeakPolarHBondContact CD2-OE2 3.27Å; L93-E111 HydrophobicContact CG-CB 4.5Å; L93-E111 PolarHBondContact N-O 3Å; L93-E111 PolarHBondContact O-N 2.89Å; E111-R113 PolarHBondContact O-N 2.88Å; E111-V121 HydrophobicContact CG-CG1 3.93Å; E111-V121 HydrophobicContact CG-CG2 3.96Å |
| 112 | P | 88 | Confident | 78.7 | Confident | 13 Ų | 13 | 75 Ų | 75 | 8% | 0.084 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 133.9 | 174.5 | 28.7 | -34.6 | 0 | 0 | 0 | 110.1 | R114 C120 | P112-R114 VanDerWaalsContact C-N 3.32Å; P112-R114 PolarHBondContact O-N 2.79Å; P112-C120 WeakPolarHBondContact CD-O 3.18Å; P112-C120 VanDerWaalsContact CG-O 3.28Å; P112-C120 WeakPolarHBondContact CG-O 3.3Å |
| 113 | R | 84.6 | Confident | 80.3 | Confident | 130 Ų | 130 | 68.9 Ų | 68.9 | 49% | 0.491 | 33% | 0.331 | S | S | . | . | trans | -87.9 | 11.7 | -173.9 | -66.1 | -177.6 | 54.3 | 158.1 | -5 | 114.5 | S88 D89 H91 L93 E111 | S88-R113 PolarHBondContact OG-NH1 2.8Å; D89-R113 VanDerWaalsContact O-CD 3.27Å; D89-R113 WeakPolarHBondContact O-CD 3.46Å; D89-R113 PolarHBondContact O-NE 2.76Å; D89-R113 PolarHBondContact O-NH1 2.93Å; H91-R113 PolarHBondContact O-N 2.81Å; L93-R113 HydrophobicContact CB-CG 4.03Å; E111-R113 PolarHBondContact O-N 2.88Å | ||
| 114 | R | 72.7 | Confident | 81.5 | Confident | 123 Ų | 123 | 67.9 Ų | 67.9 | 46% | 0.464 | 32% | 0.324 | S | S | . | . | trans | -62.4 | 138.9 | -177.3 | -74.3 | -170.7 | 171 | -169.6 | 0.6 | 111.7 | P112 D146 | P112-R114 VanDerWaalsContact C-N 3.32Å; P112-R114 PolarHBondContact O-N 2.79Å; R114-D146 IonicContact CZ-OD2 3.21Å; R114-D146 IonicContact NH1-OD2 2.7Å; R114-D146 PolarHBondContact NH1-OD2 3.5Å; R114-D146 IonicContact NH2-OD2 2.87Å; R114-D146 PolarHBondContact NH2-OD2 2.8Å | ||
| 115 | T | 58.7 | Low | 82.1 | Confident | 145 Ų | 145 | 58.1 Ų | 58.1 | 89% | 0.89 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -76.6 | -21 | -172.3 | -18.1 | 0 | 0 | 0 | 0 | 114.2 | ||
| 116 | E | 61.2 | Low | 82.4 | Confident | 179 Ų | 179 | 59 Ų | 59 | 84% | 0.836 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -132.5 | 136.8 | -176.2 | -61.2 | -165 | -165.4 | 0 | 0 | 111.1 | ||
| 117 | G | 60.6 | Low | 82.4 | Confident | 64 Ų | 64 | 57.7 Ų | 57.7 | 66% | 0.66 | 29% | 0.288 | S | S | * | . | S | Bend | trans | 116.8 | -178.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 118 | K | 64.3 | Low | 82.1 | Confident | 166 Ų | 166 | 60.8 Ų | 60.8 | 72% | 0.722 | 32% | 0.321 | S | S | * | . | trans | -81.6 | 129.3 | 171.8 | -72.5 | -178.1 | 179.2 | 176.8 | 0 | 109.5 | C120 P141 | K118-C120 PolarHBondContact O-N 2.97Å; K118-C120 VanDerWaalsContact O-N 3.1Å; K118-P141 HydrophobicContact CB-CB 4.35Å | ||
| 119 | H | 69.4 | Low | 81.9 | Confident | 145 Ų | 145 | 62 Ų | 62 | 67% | 0.671 | 33% | 0.332 | S | S | * | . | trans | -62.2 | 114.1 | 173.9 | -67.3 | -99.7 | 0 | 0 | 0 | 110.2 | ||||
| 120 | C | 79.9 | Confident | 81.9 | Confident | 8 Ų | 8 | 61.8 Ų | 61.8 | 5% | 0.054 | 33% | 0.332 | C | S | . | . | trans | -101.7 | 98.3 | 175.5 | -175.1 | 0 | 0 | 0 | 0 | 108.7 | P112 K118 W122 P141 | P112-C120 WeakPolarHBondContact CD-O 3.18Å; P112-C120 VanDerWaalsContact CG-O 3.28Å; P112-C120 WeakPolarHBondContact CG-O 3.3Å; K118-C120 PolarHBondContact O-N 2.97Å; K118-C120 VanDerWaalsContact O-N 3.1Å; C120-W122 VanDerWaalsContact SG-CZ2 3.52Å; C120-P141 HydrophobicContact CB-CG 3.57Å; C120-P141 WeakPolarHBondContact SG-CG 3.16Å | ||
| 121 | V | 87.4 | Confident | 82 | Confident | 64 Ų | 64 | 61.8 Ų | 61.8 | 39% | 0.388 | 33% | 0.332 | S | S | . | . | trans | -88 | 123.7 | 177.4 | -175.4 | 0 | 0 | 0 | 0 | 109.3 | L109 F110 E111 | L109-V121 HydrophobicContact CD2-CG1 4.33Å; F110-V121 WeakPolarHBondContact O-CA 3.28Å; E111-V121 HydrophobicContact CG-CG1 3.93Å; E111-V121 HydrophobicContact CG-CG2 3.96Å | ||
| 122 | W | 91.3 | Very high | 82.1 | Confident | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.008 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 135.9 | 173.7 | -52.9 | 98.3 | 0 | 0 | 0 | 110.1 | L109 F110 C120 V133 I135 L140 S144 S147 F148 L151 | L109-W122 WeakPolarHBondContact CA-O 3.49Å; F110-W122 HydrophobicContact CB-CB 4.14Å; F110-W122 PolarHBondContact N-O 2.82Å; F110-W122 PolarHBondContact O-N 3.38Å; C120-W122 VanDerWaalsContact SG-CZ2 3.52Å; W122-V133 HydrophobicContact CB-CG1 4.28Å; W122-V133 HydrophobicContact CE3-CG1 4.22Å; W122-I135 HydrophobicContact CE3-CD1 4.48Å; W122-I135 HydrophobicContact CZ3-CD1 3.92Å; W122-L140 HydrophobicContact CH2-CD2 3.8Å; W122-L140 HydrophobicContact CZ3-CD2 4.12Å; W122-S144 WeakPolarHBondContact CZ2-O 3.48Å; W122-S147 PolarHBondContact NE1-OG 2.85Å; W122-F148 HydrophobicContact CD2-CD2 4.17Å; W122-F148 HydrophobicContact CE3-CD2 4.22Å; W122-F148 AromaticContact CH2-CD2 3.96Å; W122-F148 HydrophobicContact CH2-CD2 3.96Å; W122-F148 HydrophobicContact CZ2-CB 3.91Å; W122-F148 AromaticContact CZ2-CD2 3.91Å; W122-F148 HydrophobicContact CZ2-CD2 3.91Å; W122-F148 HydrophobicContact CZ2-CG 4.4Å; W122-F148 HydrophobicContact CZ3-CD2 4.11Å; W122-L151 HydrophobicContact CB-CD1 3.6Å; W122-L151 HydrophobicContact CG-CD1 3.88Å |
| 123 | R | 91.1 | Very high | 82.4 | Confident | 39 Ų | 39 | 59.4 Ų | 59.4 | 15% | 0.147 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 129.3 | 174.9 | -169.1 | 164.9 | -179.9 | -75.4 | -7.2 | 109 | C14 E97 L109 E134 | C14-R123 VanDerWaalsContact N-NH1 3.13Å; C14-R123 PolarHBondContact SG-NH1 2.92Å; E97-R123 IonicContact OE1-CZ 2.76Å; E97-R123 IonicContact OE1-NE 3.72Å; E97-R123 PolarHBondContact OE1-NE 3.44Å; E97-R123 IonicContact OE1-NH2 3.49Å; E97-R123 PolarHBondContact OE1-NH2 2.96Å; E97-R123 IonicContact OE2-CZ 3.3Å; E97-R123 IonicContact OE2-NE 3.21Å; E97-R123 IonicContact OE2-NH2 2.69Å; E97-R123 PolarHBondContact OE2-NH2 3.36Å; L109-R123 HydrophobicContact CD2-CB 3.91Å; L109-R123 HydrophobicContact CD2-CG 3.66Å; R123-E134 PolarHBondContact O-N 3.19Å |
| 124 | A | 92.4 | Very high | 82.7 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.008 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 156.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F107 L108 F110 L131 Y132 V133 | F107-A124 CarbonylContact C-O 3.52Å; F107-A124 WeakPolarHBondContact CA-O 3.46Å; L108-A124 PolarHBondContact N-O 3.1Å; L108-A124 PolarHBondContact O-N 2.78Å; F110-A124 HydrophobicContact CE2-CB 3.96Å; A124-L131 HydrophobicContact CB-CD1 3.67Å; A124-L131 HydrophobicContact CB-CG 4.04Å; A124-Y132 CarbonylContact C-O 3.56Å; A124-Y132 WeakPolarHBondContact CA-O 3.32Å; A124-Y132 WeakPolarHBondContact CB-O 3.31Å; A124-V133 HydrophobicContact CB-CB 4.38Å; A124-V133 HydrophobicContact CB-CG2 4.06Å |
| 125 | A | 91.5 | Very high | 83.6 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 127.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | I9 V105 R106 F107 L131 Y132 | I9-A125 HydrophobicContact CG1-CB 4.11Å; I9-A125 HydrophobicContact CG2-CB 4.37Å; V105-A125 HydrophobicContact CG1-CB 3.85Å; R106-A125 CarbonylContact O-C 3.44Å; R106-A125 WeakPolarHBondContact O-CA 3.43Å; F107-A125 HydrophobicContact CD1-CB 3.79Å; F107-A125 HydrophobicContact CE1-CB 3.59Å; A125-L131 CarbonylContact O-C 3.54Å; A125-Y132 PolarHBondContact N-O 2.7Å; A125-Y132 WeakPolarHBondContact O-CD2 3.43Å; A125-Y132 PolarHBondContact O-N 3.21Å |
| 126 | L | 90.8 | Very high | 84.8 | Confident | 19 Ų | 19 | 45.4 Ų | 45.4 | 10% | 0.099 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 125.2 | 173.4 | 179 | 64.7 | 0 | 0 | 0 | 109.5 | V105 R106 L108 L131 L159 | V105-L126 WeakPolarHBondContact CA-O 3.45Å; R106-L126 HydrophobicContact CB-CB 4.42Å; R106-L126 PolarHBondContact N-O 2.86Å; R106-L126 PolarHBondContact O-N 3.37Å; L108-L126 HydrophobicContact CD1-CB 4.25Å; L108-L126 HydrophobicContact CD1-CD2 4.28Å; L126-L131 HydrophobicContact CB-CD1 4.17Å; L126-L131 HydrophobicContact CD1-CD1 4.38Å; L126-L159 HydrophobicContact CD1-CD1 4.32Å; L126-L159 HydrophobicContact CD2-CD1 4.27Å; L126-L159 HydrophobicContact CD2-CD2 3.86Å |
| 127 | K | 87.9 | Confident | 85.8 | Confident | 46 Ų | 46 | 40.6 Ų | 40.6 | 20% | 0.2 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 105.4 | 179.7 | 175.4 | -177.5 | 155.9 | -82.3 | 0 | 111 | N5 L6 I9 V105 N130 Y132 | N5-K127 HydrophobicContact CB-CD 4.42Å; L6-K127 HydrophobicContact CD2-CD 4.34Å; I9-K127 HydrophobicContact CD1-CB 4.19Å; I9-K127 HydrophobicContact CD1-CD 3.56Å; V105-K127 HydrophobicContact CG1-CB 4.48Å; V105-K127 HydrophobicContact CG2-CB 4.11Å; V105-K127 HydrophobicContact CG2-CD 3.93Å; V105-K127 HydrophobicContact CG2-CG 4.08Å; K127-N130 PolarHBondContact N-O 2.76Å; K127-N130 WeakPolarHBondContact O-CB 3.37Å; K127-N130 PolarHBondContact O-N 3Å; K127-Y132 HydrophobicContact CB-CE2 4.21Å |
| 128 | G | 85.4 | Confident | 86.9 | Confident | 67 Ų | 67 | 39.4 Ų | 39.4 | 69% | 0.691 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 67.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | N130 | G128-N130 PolarHBondContact O-N 2.81Å; G128-N130 VanDerWaalsContact O-N 3.1Å; G128-N130 PolarHBondContact O-ND2 3.21Å |
| 129 | G | 87.8 | Confident | 87.7 | Confident | 24 Ų | 24 | 36 Ų | 36 | 25% | 0.247 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | -9.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | A161 D162 | G129-A161 CarbonylContact O-C 3.56Å; G129-A161 WeakPolarHBondContact O-CA 3.35Å; G129-A161 WeakPolarHBondContact O-CB 3.32Å; G129-D162 WeakPolarHBondContact CA-OD2 3.41Å; G129-D162 PolarHBondContact O-N 2.78Å |
| 130 | N | 92.1 | Very high | 88.4 | Confident | 14 Ų | 14 | 31.1 Ų | 31.1 | 8% | 0.075 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 127.6 | -175.7 | -63.3 | -101.4 | 0 | 0 | 0 | 111.1 | K127 G128 Y132 H163 F165 | K127-N130 PolarHBondContact N-O 2.76Å; K127-N130 WeakPolarHBondContact O-CB 3.37Å; K127-N130 PolarHBondContact O-N 3Å; G128-N130 PolarHBondContact O-N 2.81Å; G128-N130 VanDerWaalsContact O-N 3.1Å; G128-N130 PolarHBondContact O-ND2 3.21Å; N130-Y132 HydrophobicContact CB-CD2 4.46Å; N130-Y132 HydrophobicContact CB-CE2 3.49Å; N130-Y132 VanDerWaalsContact CB-CE2 3.49Å; N130-Y132 WeakPolarHBondContact CB-OH 3.15Å; N130-Y132 WeakPolarHBondContact O-CE2 3.45Å; N130-H163 WeakPolarHBondContact CA-O 3.09Å; N130-H163 PolarHBondContact OD1-CD2 2.86Å; N130-F165 HydrophobicContact CB-CD2 4.47Å; N130-F165 HydrophobicContact CB-CE2 4.21Å; N130-F165 WeakPolarHBondContact OD1-CE2 3.33Å |
| 131 | L | 94.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 130.7 | 175.3 | -171.6 | 67.6 | 0 | 0 | 0 | 109.8 | F110 A124 A125 L126 V133 L151 A155 L159 H163 V164 F165 | F110-L131 HydrophobicContact CZ-CD2 4.24Å; A124-L131 HydrophobicContact CB-CD1 3.67Å; A124-L131 HydrophobicContact CB-CG 4.04Å; A125-L131 CarbonylContact O-C 3.54Å; L126-L131 HydrophobicContact CB-CD1 4.17Å; L126-L131 HydrophobicContact CD1-CD1 4.38Å; L131-V133 HydrophobicContact CD2-CG2 4.27Å; L131-V133 HydrophobicContact CG-CG2 4.3Å; L131-L151 HydrophobicContact CD2-CD2 3.89Å; L131-A155 HydrophobicContact CD2-CB 3.78Å; L131-L159 HydrophobicContact CD1-CD1 4.09Å; L131-L159 HydrophobicContact CD2-CD1 4.34Å; L131-H163 PolarHBondContact N-O 3.14Å; L131-V164 HydrophobicContact CB-CG2 4.42Å; L131-V164 HydrophobicContact CD2-CG1 4.48Å; L131-V164 CarbonylContact O-C 3.59Å; L131-V164 WeakPolarHBondContact O-CA 3.4Å; L131-F165 PolarHBondContact O-N 2.9Å |
| 132 | Y | 93.3 | Very high | 88.2 | Confident | 10 Ų | 10 | 37.7 Ų | 37.7 | 4% | 0.039 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 99.1 | -179 | -57.4 | -101 | 0 | 0 | 0 | 109.4 | I9 A124 A125 K127 N130 F165 L196 | I9-Y132 HydrophobicContact CD1-CD2 4.48Å; A124-Y132 CarbonylContact C-O 3.56Å; A124-Y132 WeakPolarHBondContact CA-O 3.32Å; A124-Y132 WeakPolarHBondContact CB-O 3.31Å; A125-Y132 PolarHBondContact N-O 2.7Å; A125-Y132 WeakPolarHBondContact O-CD2 3.43Å; A125-Y132 PolarHBondContact O-N 3.21Å; K127-Y132 HydrophobicContact CB-CE2 4.21Å; N130-Y132 HydrophobicContact CB-CD2 4.46Å; N130-Y132 HydrophobicContact CB-CE2 3.49Å; N130-Y132 VanDerWaalsContact CB-CE2 3.49Å; N130-Y132 WeakPolarHBondContact CB-OH 3.15Å; N130-Y132 WeakPolarHBondContact O-CE2 3.45Å; Y132-F165 CarbonylContact C-O 3.56Å; Y132-F165 WeakPolarHBondContact CA-O 3.48Å; Y132-F165 HydrophobicContact CD1-CB 3.71Å; Y132-F165 AromaticContact CD1-CD2 3.88Å; Y132-F165 HydrophobicContact CD1-CD2 3.88Å; Y132-F165 AromaticContact CD1-CG 3.91Å; Y132-F165 HydrophobicContact CD1-CG 3.91Å; Y132-F165 HydrophobicContact CE1-CB 4.2Å; Y132-F165 AromaticContact CE1-CD2 3.55Å; Y132-F165 HydrophobicContact CE1-CD2 3.55Å; Y132-F165 HydrophobicContact CE1-CE2 4.08Å; Y132-F165 AromaticContact CE1-CG 3.86Å; Y132-F165 HydrophobicContact CE1-CG 3.86Å; Y132-F165 HydrophobicContact CG-CB 4.34Å; Y132-F165 AromaticContact CZ-CD2 3.91Å; Y132-L196 WeakPolarHBondContact CE1-O 3.26Å; Y132-L196 PolarHBondContact OH-O 3.22Å |
| 133 | V | 94 | Very high | 87.8 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 135.1 | -178.7 | -167.7 | 0 | 0 | 0 | 0 | 110.5 | W122 A124 L131 I135 F148 L151 V164 F165 I166 C167 | W122-V133 HydrophobicContact CB-CG1 4.28Å; W122-V133 HydrophobicContact CE3-CG1 4.22Å; A124-V133 HydrophobicContact CB-CB 4.38Å; A124-V133 HydrophobicContact CB-CG2 4.06Å; L131-V133 HydrophobicContact CD2-CG2 4.27Å; L131-V133 HydrophobicContact CG-CG2 4.3Å; V133-I135 HydrophobicContact CG1-CD1 4.47Å; V133-F148 HydrophobicContact CG1-CE2 4.24Å; V133-L151 HydrophobicContact CG1-CD1 4.13Å; V133-L151 HydrophobicContact CG2-CD1 4.11Å; V133-L151 HydrophobicContact CG2-CD2 3.83Å; V133-V164 HydrophobicContact CG2-CG1 4Å; V133-F165 PolarHBondContact N-O 3.3Å; V133-I166 HydrophobicContact CB-CG2 4.31Å; V133-I166 CarbonylContact O-C 3.59Å; V133-I166 WeakPolarHBondContact O-CA 3.35Å; V133-C167 PolarHBondContact O-N 3.47Å; V133-C167 PolarHBondContact O-SG 2.9Å; V133-C167 VanDerWaalsContact O-SG 3.37Å |
| 134 | E | 90.6 | Very high | 87.6 | Confident | 46 Ų | 46 | 38.4 Ų | 38.4 | 22% | 0.215 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 123.6 | 172.9 | -176.3 | 169.6 | -175.2 | 0 | 0 | 110.1 | C14 F15 R123 | C14-E134 VanDerWaalsContact CA-OE2 3.24Å; C14-E134 WeakPolarHBondContact CA-OE2 3.06Å; C14-E134 WeakPolarHBondContact CB-OE2 3.33Å; F15-E134 WeakPolarHBondContact CD1-OE1 3.31Å; F15-E134 HydrophobicContact CE1-CG 3.71Å; F15-E134 WeakPolarHBondContact CE1-OE1 3.43Å; F15-E134 HydrophobicContact CZ-CB 4.29Å; F15-E134 HydrophobicContact CZ-CG 3.84Å; R123-E134 PolarHBondContact O-N 3.19Å |
| 135 | I | 90.8 | Very high | 87.5 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -87.6 | 119.6 | 179.2 | -52.9 | -54.6 | 0 | 0 | 0 | 109.2 | W122 V133 L140 F148 I166 C167 F168 R172 L178 F182 | W122-I135 HydrophobicContact CE3-CD1 4.48Å; W122-I135 HydrophobicContact CZ3-CD1 3.92Å; V133-I135 HydrophobicContact CG1-CD1 4.47Å; I135-L140 HydrophobicContact CG2-CD2 3.91Å; I135-F148 HydrophobicContact CD1-CE2 4.34Å; I135-I166 HydrophobicContact CD1-CB 3.96Å; I135-I166 HydrophobicContact CD1-CG2 3.84Å; I135-I166 HydrophobicContact CG1-CB 4.01Å; I135-I166 HydrophobicContact CG1-CG2 4.45Å; I135-C167 PolarHBondContact N-O 3.32Å; I135-F168 HydrophobicContact CB-CB 4.18Å; I135-F168 HydrophobicContact CG1-CD1 4.37Å; I135-R172 PolarHBondContact O-NH1 3.35Å; I135-L178 HydrophobicContact CG2-CD1 4.5Å; I135-L178 HydrophobicContact CG2-CD2 4.18Å; I135-F182 HydrophobicContact CD1-CE1 4.4Å; I135-F182 HydrophobicContact CD1-CE2 4.08Å; I135-F182 HydrophobicContact CD1-CZ 3.63Å; I135-F182 HydrophobicContact CG1-CE2 4.18Å; I135-F182 HydrophobicContact CG1-CZ 4.25Å; I135-F182 HydrophobicContact CG2-CE2 4.41Å |
| 136 | P | 85.4 | Confident | 87.3 | Confident | 55 Ų | 55 | 48.2 Ų | 48.2 | 36% | 0.357 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 145.6 | -175.3 | 25 | -34.3 | 0 | 0 | 0 | 112.1 | L140 R172 | P136-L140 HydrophobicContact CG-CD2 4.2Å; P136-R172 VanDerWaalsContact C-NH1 3.33Å; P136-R172 VanDerWaalsContact O-CZ 3.27Å; P136-R172 PolarHBondContact O-NH1 2.78Å; P136-R172 PolarHBondContact O-NH2 3.23Å |
| 137 | S | 82.5 | Confident | 87.4 | Confident | 78 Ų | 78 | 47.6 Ų | 47.6 | 55% | 0.545 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -67.3 | 137.6 | 179.3 | -68.3 | 0 | 0 | 0 | 0 | 111.9 | E18 | E18-S137 PolarHBondContact OE1-OG 2.97Š|
| 138 | G | 82.1 | Confident | 87.6 | Confident | 38 Ų | 38 | 45.7 Ų | 45.7 | 39% | 0.392 | 29% | 0.294 | S | S | . | . | S | Bend | trans | 91.8 | 177.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L140 R172 | G138-L140 PolarHBondContact O-N 3.07Å; G138-R172 PolarHBondContact O-NH2 3.03Å |
| 139 | A | 81.5 | Confident | 87.9 | Confident | 94 Ų | 94 | 45 Ų | 45 | 78% | 0.777 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -60.9 | 135.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 140 | L | 84.4 | Confident | 88.2 | Confident | 43 Ų | 43 | 45 Ų | 45 | 23% | 0.225 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 136.5 | 176 | -67.7 | -179.8 | 0 | 0 | 0 | 110.6 | W122 I135 P136 G138 S144 L178 F182 | W122-L140 HydrophobicContact CH2-CD2 3.8Å; W122-L140 HydrophobicContact CZ3-CD2 4.12Å; I135-L140 HydrophobicContact CG2-CD2 3.91Å; P136-L140 HydrophobicContact CG-CD2 4.2Å; G138-L140 PolarHBondContact O-N 3.07Å; L140-S144 WeakPolarHBondContact CB-OG 3.49Å; L140-L178 HydrophobicContact CD1-CD2 4.3Å; L140-L178 HydrophobicContact CG-CD2 4.31Å; L140-F182 HydrophobicContact CD1-CE2 4.44Å; L140-F182 HydrophobicContact CD1-CZ 4.26Å |
| 141 | P | 82.5 | Confident | 88.3 | Confident | 33 Ų | 33 | 44.3 Ų | 44.3 | 21% | 0.214 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 158.2 | -179.4 | 29.4 | -36 | 0 | 0 | 0 | 111.6 | K118 C120 G143 S144 | K118-P141 HydrophobicContact CB-CB 4.35Å; C120-P141 HydrophobicContact CB-CG 3.57Å; C120-P141 WeakPolarHBondContact SG-CG 3.16Å; P141-G143 PolarHBondContact O-N 3.49Å; P141-S144 WeakPolarHBondContact O-CB 3.4Å; P141-S144 PolarHBondContact O-N 3.02Å; P141-S144 PolarHBondContact O-OG 2.9Å; P141-S144 VanDerWaalsContact O-OG 3.06Å |
| 142 | E | 81.2 | Confident | 88.3 | Confident | 178 Ų | 178 | 45.6 Ų | 45.6 | 83% | 0.832 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 138.5 | 170 | -171.6 | 170.1 | -164.7 | 0 | 0 | 110.9 | S144 | E142-S144 VanDerWaalsContact C-N 3.29Å; E142-S144 PolarHBondContact O-N 3.01Å |
| 143 | G | 82.9 | Confident | 88.4 | Confident | 37 Ų | 37 | 49.9 Ų | 49.9 | 38% | 0.381 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | -3.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | P141 K145 D146 S147 | P141-G143 PolarHBondContact O-N 3.49Å; G143-K145 VanDerWaalsContact C-N 3.27Å; G143-K145 PolarHBondContact O-N 3.44Å; G143-D146 PolarHBondContact O-N 3.07Å; G143-S147 PolarHBondContact O-N 3.4Å; G143-S147 PolarHBondContact O-OG 2.68Å |
| 144 | S | 87.2 | Confident | 88.4 | Confident | 18 Ų | 18 | 50.2 Ų | 50.2 | 13% | 0.126 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.1 | -37 | 177.9 | 65.2 | 0 | 0 | 0 | 0 | 113.4 | W122 L140 P141 E142 D146 S147 F148 | W122-S144 WeakPolarHBondContact CZ2-O 3.48Å; L140-S144 WeakPolarHBondContact CB-OG 3.49Å; P141-S144 WeakPolarHBondContact O-CB 3.4Å; P141-S144 PolarHBondContact O-N 3.02Å; P141-S144 PolarHBondContact O-OG 2.9Å; P141-S144 VanDerWaalsContact O-OG 3.06Å; E142-S144 VanDerWaalsContact C-N 3.29Å; E142-S144 PolarHBondContact O-N 3.01Å; S144-D146 PolarHBondContact O-N 2.89Å; S144-S147 WeakPolarHBondContact CA-OG 3.47Å; S144-S147 PolarHBondContact O-N 2.72Å; S144-S147 PolarHBondContact O-OG 3.48Å; S144-F148 WeakPolarHBondContact O-CB 3.22Å; S144-F148 PolarHBondContact O-N 2.93Å |
| 145 | K | 88.5 | Confident | 88.6 | Confident | 145 Ų | 145 | 48 Ų | 48 | 63% | 0.63 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -58.3 | -50.2 | 178.3 | -176.3 | -168.1 | 173.9 | -167.2 | 0 | 110.7 | G143 F148 A149 | G143-K145 VanDerWaalsContact C-N 3.27Å; G143-K145 PolarHBondContact O-N 3.44Å; K145-F148 PolarHBondContact O-N 3.14Å; K145-A149 PolarHBondContact O-N 2.93Å |
| 146 | D | 89.2 | Confident | 88.7 | Confident | 63 Ų | 63 | 52.2 Ų | 52.2 | 34% | 0.337 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -71.3 | -37.9 | -176.4 | -64.3 | 11.9 | 0 | 0 | 0 | 111.5 | R114 G143 S144 F148 A149 L150 | R114-D146 IonicContact CZ-OD2 3.21Å; R114-D146 IonicContact NH1-OD2 2.7Å; R114-D146 PolarHBondContact NH1-OD2 3.5Å; R114-D146 IonicContact NH2-OD2 2.87Å; R114-D146 PolarHBondContact NH2-OD2 2.8Å; G143-D146 PolarHBondContact O-N 3.07Å; S144-D146 PolarHBondContact O-N 2.89Å; D146-F148 VanDerWaalsContact C-N 3.29Å; D146-F148 PolarHBondContact O-N 3.2Å; D146-A149 PolarHBondContact O-N 3.12Å; D146-L150 WeakPolarHBondContact O-CG 3.31Å; D146-L150 PolarHBondContact O-N 3.1Å; D146-L150 VanDerWaalsContact O-N 3.13Å |
| 147 | S | 91 | Very high | 89 | Confident | 7 Ų | 7 | 55.3 Ų | 55.3 | 5% | 0.049 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -69.5 | -27.7 | 174.4 | 67.9 | 0 | 0 | 0 | 0 | 113 | W122 G143 S144 L151 | W122-S147 PolarHBondContact NE1-OG 2.85Å; G143-S147 PolarHBondContact O-N 3.4Å; G143-S147 PolarHBondContact O-OG 2.68Å; S144-S147 WeakPolarHBondContact CA-OG 3.47Å; S144-S147 PolarHBondContact O-N 2.72Å; S144-S147 PolarHBondContact O-OG 3.48Å; S147-L151 PolarHBondContact O-N 2.8Å |
| 148 | F | 92.8 | Very high | 89.5 | Confident | 5 Ų | 5 | 55.8 Ų | 55.8 | 2% | 0.022 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -76.7 | -33.6 | 173.2 | -164.3 | -90.4 | 0 | 0 | 0 | 111.9 | W122 V133 I135 S144 K145 D146 L151 L152 I166 F182 L185 F187 | W122-F148 HydrophobicContact CD2-CD2 4.17Å; W122-F148 HydrophobicContact CE3-CD2 4.22Å; W122-F148 AromaticContact CH2-CD2 3.96Å; W122-F148 HydrophobicContact CH2-CD2 3.96Å; W122-F148 HydrophobicContact CZ2-CB 3.91Å; W122-F148 AromaticContact CZ2-CD2 3.91Å; W122-F148 HydrophobicContact CZ2-CD2 3.91Å; W122-F148 HydrophobicContact CZ2-CG 4.4Å; W122-F148 HydrophobicContact CZ3-CD2 4.11Å; V133-F148 HydrophobicContact CG1-CE2 4.24Å; I135-F148 HydrophobicContact CD1-CE2 4.34Å; S144-F148 WeakPolarHBondContact O-CB 3.22Å; S144-F148 PolarHBondContact O-N 2.93Å; K145-F148 PolarHBondContact O-N 3.14Å; D146-F148 VanDerWaalsContact C-N 3.29Å; D146-F148 PolarHBondContact O-N 3.2Å; F148-L151 WeakPolarHBondContact O-CB 3.31Å; F148-L151 PolarHBondContact O-N 3.42Å; F148-L152 HydrophobicContact CD1-CD1 4Å; F148-L152 HydrophobicContact CD1-CG 4.09Å; F148-L152 HydrophobicContact CE1-CD1 3.91Å; F148-L152 HydrophobicContact CE1-CD2 4.02Å; F148-L152 HydrophobicContact CE1-CG 3.91Å; F148-L152 WeakPolarHBondContact O-CG 3.47Å; F148-L152 PolarHBondContact O-N 2.72Å; F148-I166 HydrophobicContact CE2-CG2 4.01Å; F148-I166 HydrophobicContact CZ-CG2 3.63Å; F148-F182 HydrophobicContact CD1-CE1 4.28Å; F148-F182 HydrophobicContact CD2-CE1 4.33Å; F148-F182 HydrophobicContact CE1-CD1 4.37Å; F148-F182 AromaticContact CE1-CE1 3.93Å; F148-F182 HydrophobicContact CE1-CE1 3.93Å; F148-F182 AromaticContact CE2-CE1 3.98Å; F148-F182 HydrophobicContact CE2-CE1 3.98Å; F148-F182 HydrophobicContact CG-CE1 4.47Å; F148-F182 HydrophobicContact CZ-CD1 4.4Å; F148-F182 AromaticContact CZ-CE1 3.77Å; F148-F182 HydrophobicContact CZ-CE1 3.77Å; F148-L185 HydrophobicContact CD1-CD1 4.39Å; F148-F187 AromaticContact CE1-CE2 3.74Å; F148-F187 HydrophobicContact CE1-CE2 3.74Å; F148-F187 AromaticContact CE1-CZ 3.65Å; F148-F187 HydrophobicContact CE1-CZ 3.65Å; F148-F187 HydrophobicContact CZ-CE2 4.21Å; F148-F187 AromaticContact CZ-CZ 3.71Å; F148-F187 HydrophobicContact CZ-CZ 3.71Å |
| 149 | A | 92.5 | Very high | 90 | Very high | 52 Ų | 52 | 55.2 Ų | 55.2 | 43% | 0.43 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.8 | -46.7 | 171 | 0 | 0 | 0 | 0 | 0 | 111.6 | K145 D146 L151 L152 E153 | K145-A149 PolarHBondContact O-N 2.93Å; D146-A149 PolarHBondContact O-N 3.12Å; A149-L151 PolarHBondContact O-N 3.48Å; A149-L152 WeakPolarHBondContact O-CB 3.38Å; A149-L152 PolarHBondContact O-N 3.07Å; A149-E153 PolarHBondContact O-N 3.19Å |
| 150 | L | 93.3 | Very high | 90.6 | Very high | 25 Ų | 25 | 57.4 Ų | 57.4 | 13% | 0.131 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.4 | -32.9 | 173 | -68.8 | 170.3 | 0 | 0 | 0 | 113 | H91 D146 F154 | H91-L150 HydrophobicContact CB-CD1 3.99Å; H91-L150 HydrophobicContact CB-CD2 3.9Å; D146-L150 WeakPolarHBondContact O-CG 3.31Å; D146-L150 PolarHBondContact O-N 3.1Å; D146-L150 VanDerWaalsContact O-N 3.13Å; L150-F154 VanDerWaalsContact O-CB 3.31Å; L150-F154 WeakPolarHBondContact O-CB 3.36Å; L150-F154 PolarHBondContact O-N 3.1Å |
| 151 | L | 94.7 | Very high | 91 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.1 | -39.9 | 174.8 | 178.1 | 159.6 | 0 | 0 | 0 | 111.6 | F110 W122 L131 V133 S147 F148 A149 A155 | F110-L151 HydrophobicContact CB-CD1 4.35Å; F110-L151 HydrophobicContact CD1-CB 4.18Å; F110-L151 HydrophobicContact CD1-CD1 4.14Å; F110-L151 HydrophobicContact CD1-CG 3.92Å; F110-L151 HydrophobicContact CD2-CD1 4Å; F110-L151 HydrophobicContact CE1-CB 4.48Å; F110-L151 HydrophobicContact CE1-CD1 4.43Å; F110-L151 HydrophobicContact CE1-CG 3.92Å; F110-L151 HydrophobicContact CE2-CD1 4.32Å; F110-L151 HydrophobicContact CG-CD1 3.92Å; F110-L151 HydrophobicContact CG-CG 4.23Å; F110-L151 HydrophobicContact CZ-CG 4.25Å; W122-L151 HydrophobicContact CB-CD1 3.6Å; W122-L151 HydrophobicContact CG-CD1 3.88Å; L131-L151 HydrophobicContact CD2-CD2 3.89Å; V133-L151 HydrophobicContact CG1-CD1 4.13Å; V133-L151 HydrophobicContact CG2-CD1 4.11Å; V133-L151 HydrophobicContact CG2-CD2 3.83Å; S147-L151 PolarHBondContact O-N 2.8Å; F148-L151 WeakPolarHBondContact O-CB 3.31Å; F148-L151 PolarHBondContact O-N 3.42Å; A149-L151 PolarHBondContact O-N 3.48Å; L151-A155 VanDerWaalsContact O-CB 3.31Å; L151-A155 WeakPolarHBondContact O-CB 2.99Å; L151-A155 PolarHBondContact O-N 2.91Å |
| 152 | L | 94.8 | Very high | 91.4 | Very high | 27 Ų | 27 | 56.6 Ų | 56.6 | 14% | 0.141 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.7 | -48.4 | 176.3 | -68.7 | 175.9 | 0 | 0 | 0 | 111.4 | F148 A149 F154 A155 E156 V164 F187 Y208 | F148-L152 HydrophobicContact CD1-CD1 4Å; F148-L152 HydrophobicContact CD1-CG 4.09Å; F148-L152 HydrophobicContact CE1-CD1 3.91Å; F148-L152 HydrophobicContact CE1-CD2 4.02Å; F148-L152 HydrophobicContact CE1-CG 3.91Å; F148-L152 WeakPolarHBondContact O-CG 3.47Å; F148-L152 PolarHBondContact O-N 2.72Å; A149-L152 WeakPolarHBondContact O-CB 3.38Å; A149-L152 PolarHBondContact O-N 3.07Å; L152-F154 VanDerWaalsContact C-N 3.32Å; L152-F154 PolarHBondContact O-N 3.31Å; L152-A155 WeakPolarHBondContact O-CA 3.28Å; L152-A155 WeakPolarHBondContact O-CB 3.44Å; L152-A155 PolarHBondContact O-N 3.1Å; L152-E156 PolarHBondContact O-N 2.76Å; L152-V164 HydrophobicContact CD2-CB 4.19Å; L152-V164 HydrophobicContact CD2-CG1 4.06Å; L152-V164 HydrophobicContact CD2-CG2 4.07Å; L152-F187 HydrophobicContact CD2-CZ 4.14Å; L152-Y208 HydrophobicContact CD2-CD1 4.16Å |
| 153 | E | 94.1 | Very high | 92 | Very high | 99 Ų | 99 | 50.7 Ų | 50.7 | 46% | 0.463 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -53.2 | -48 | 173.7 | -177.9 | 178.6 | -173.5 | 0 | 0 | 111.1 | A149 A155 E156 E157 | A149-E153 PolarHBondContact O-N 3.19Å; E153-A155 PolarHBondContact O-N 2.88Å; E153-E156 PolarHBondContact O-N 2.81Å; E153-E157 PolarHBondContact O-N 2.83Å |
| 154 | F | 94.4 | Very high | 92.7 | Very high | 7 Ų | 7 | 48.9 Ų | 48.9 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.2 | -37.5 | 174.2 | -173.5 | -89.6 | 0 | 0 | 0 | 113.6 | F86 Y87 L92 V94 F110 L150 L152 E156 Q158 L159 | F86-F154 HydrophobicContact CD1-CZ 4.04Å; F86-F154 HydrophobicContact CE1-CE1 4.19Å; F86-F154 AromaticContact CE1-CZ 3.79Å; F86-F154 HydrophobicContact CE1-CZ 3.79Å; Y87-F154 AromaticContact CD1-CD2 3.91Å; Y87-F154 HydrophobicContact CD1-CD2 3.91Å; Y87-F154 AromaticContact CD1-CE2 3.38Å; Y87-F154 HydrophobicContact CD1-CE2 3.38Å; Y87-F154 HydrophobicContact CD1-CZ 4.34Å; Y87-F154 AromaticContact CD2-CE2 3.86Å; Y87-F154 HydrophobicContact CD2-CE2 3.86Å; Y87-F154 AromaticContact CE1-CD2 3.94Å; Y87-F154 HydrophobicContact CE1-CD2 3.94Å; Y87-F154 AromaticContact CE1-CE2 3.79Å; Y87-F154 HydrophobicContact CE1-CE2 3.79Å; Y87-F154 HydrophobicContact CE2-CE2 4.21Å; Y87-F154 HydrophobicContact CG-CD2 4.35Å; Y87-F154 AromaticContact CG-CE2 3.41Å; Y87-F154 HydrophobicContact CG-CE2 3.41Å; Y87-F154 VanDerWaalsContact CG-CE2 3.41Å; Y87-F154 HydrophobicContact CG-CZ 4.11Å; L92-F154 HydrophobicContact CD2-CB 3.71Å; L92-F154 HydrophobicContact CD2-CD2 3.85Å; L92-F154 HydrophobicContact CD2-CG 3.87Å; V94-F154 HydrophobicContact CB-CZ 4.27Å; V94-F154 HydrophobicContact CG1-CE1 4.32Å; V94-F154 HydrophobicContact CG1-CZ 4.41Å; V94-F154 HydrophobicContact CG2-CD1 4.35Å; V94-F154 HydrophobicContact CG2-CD2 4.18Å; V94-F154 HydrophobicContact CG2-CE1 4.03Å; V94-F154 HydrophobicContact CG2-CE2 3.92Å; V94-F154 HydrophobicContact CG2-CG 4.39Å; V94-F154 HydrophobicContact CG2-CZ 3.82Å; F110-F154 HydrophobicContact CD1-CD1 4.46Å; F110-F154 HydrophobicContact CE1-CB 4.29Å; F110-F154 AromaticContact CE1-CD1 3.43Å; F110-F154 HydrophobicContact CE1-CD1 3.43Å; F110-F154 VanDerWaalsContact CE1-CD1 3.43Å; F110-F154 HydrophobicContact CE1-CE1 4.01Å; F110-F154 HydrophobicContact CE1-CG 4.04Å; F110-F154 HydrophobicContact CZ-CD1 4.01Å; F110-F154 HydrophobicContact CZ-CE1 4.32Å; L150-F154 VanDerWaalsContact O-CB 3.31Å; L150-F154 WeakPolarHBondContact O-CB 3.36Å; L150-F154 PolarHBondContact O-N 3.1Å; L152-F154 VanDerWaalsContact C-N 3.32Å; L152-F154 PolarHBondContact O-N 3.31Å; F154-E156 VanDerWaalsContact C-N 3.31Å; F154-Q158 HydrophobicContact CD1-CB 4.34Å; F154-Q158 HydrophobicContact CD2-CB 3.66Å; F154-Q158 HydrophobicContact CD2-CG 3.5Å; F154-Q158 VanDerWaalsContact CD2-CG 3.5Å; F154-Q158 HydrophobicContact CE1-CB 4.25Å; F154-Q158 HydrophobicContact CE2-CB 3.45Å; F154-Q158 VanDerWaalsContact CE2-CB 3.45Å; F154-Q158 HydrophobicContact CE2-CG 3.59Å; F154-Q158 HydrophobicContact CG-CB 4.1Å; F154-Q158 HydrophobicContact CG-CG 4.22Å; F154-Q158 HydrophobicContact CZ-CB 3.8Å; F154-Q158 HydrophobicContact CZ-CG 4.44Å; F154-Q158 WeakPolarHBondContact O-CB 3.39Å; F154-Q158 PolarHBondContact O-N 3.04Å; F154-L159 HydrophobicContact CD1-CD1 3.97Å; F154-L159 HydrophobicContact CD1-CD2 4.48Å; F154-L159 HydrophobicContact CD1-CG 3.82Å; F154-L159 HydrophobicContact CE1-CD1 3.86Å; F154-L159 HydrophobicContact CE1-CD2 3.71Å; F154-L159 HydrophobicContact CE1-CG 3.55Å; F154-L159 HydrophobicContact CZ-CD2 4.36Å; F154-L159 PolarHBondContact O-N 2.78Å; F154-L159 VanDerWaalsContact O-N 3.07Å |
| 155 | A | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.4 | -35.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L131 L151 L152 E153 L159 Q160 A161 V164 I210 | L131-A155 HydrophobicContact CD2-CB 3.78Å; L151-A155 VanDerWaalsContact O-CB 3.31Å; L151-A155 WeakPolarHBondContact O-CB 2.99Å; L151-A155 PolarHBondContact O-N 2.91Å; L152-A155 WeakPolarHBondContact O-CA 3.28Å; L152-A155 WeakPolarHBondContact O-CB 3.44Å; L152-A155 PolarHBondContact O-N 3.1Å; E153-A155 PolarHBondContact O-N 2.88Å; A155-L159 WeakPolarHBondContact O-CB 3.34Å; A155-Q160 PolarHBondContact O-N 3.02Å; A155-A161 HydrophobicContact CB-CB 4.39Å; A155-A161 VanDerWaalsContact O-CB 3.31Å; A155-A161 WeakPolarHBondContact O-CB 3.41Å; A155-A161 PolarHBondContact O-N 3.34Å; A155-V164 HydrophobicContact CB-CG2 3.84Å; A155-I210 HydrophobicContact CB-CD1 4.38Å |
| 156 | E | 93.4 | Very high | 93.3 | Very high | 93 Ų | 93 | 41.3 Ų | 41.3 | 44% | 0.435 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -74.8 | -62.9 | 175.8 | -179.5 | 172.5 | 173.6 | 0 | 0 | 111.7 | L152 E153 F154 Q160 I210 | L152-E156 PolarHBondContact O-N 2.76Å; E153-E156 PolarHBondContact O-N 2.81Å; F154-E156 VanDerWaalsContact C-N 3.31Å; E156-Q160 VanDerWaalsContact O-CA 3.22Å; E156-Q160 WeakPolarHBondContact O-CA 3.2Å; E156-Q160 PolarHBondContact O-N 2.99Å; E156-I210 HydrophobicContact CB-CD1 4.22Å; E156-I210 HydrophobicContact CB-CG2 4.2Å; E156-I210 HydrophobicContact CG-CG2 3.8Å |
| 157 | E | 92.1 | Very high | 93.4 | Very high | 119 Ų | 119 | 38.5 Ų | 38.5 | 56% | 0.556 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -71.5 | -47.1 | -171.7 | -63.6 | -169.2 | 160.3 | 0 | 0 | 113.4 | E153 | E153-E157 PolarHBondContact O-N 2.83Å |
| 158 | Q | 92.8 | Very high | 93.4 | Very high | 89 Ų | 89 | 38.3 Ų | 38.3 | 42% | 0.416 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -32 | -165.2 | -52.3 | -61 | -38.4 | 0 | 0 | 112.4 | Y87 F154 | Y87-Q158 HydrophobicContact CE2-CG 4.29Å; F154-Q158 HydrophobicContact CD1-CB 4.34Å; F154-Q158 HydrophobicContact CD2-CB 3.66Å; F154-Q158 HydrophobicContact CD2-CG 3.5Å; F154-Q158 VanDerWaalsContact CD2-CG 3.5Å; F154-Q158 HydrophobicContact CE1-CB 4.25Å; F154-Q158 HydrophobicContact CE2-CB 3.45Å; F154-Q158 VanDerWaalsContact CE2-CB 3.45Å; F154-Q158 HydrophobicContact CE2-CG 3.59Å; F154-Q158 HydrophobicContact CG-CB 4.1Å; F154-Q158 HydrophobicContact CG-CG 4.22Å; F154-Q158 HydrophobicContact CZ-CB 3.8Å; F154-Q158 HydrophobicContact CZ-CG 4.44Å; F154-Q158 WeakPolarHBondContact O-CB 3.39Å; F154-Q158 PolarHBondContact O-N 3.04Å |
| 159 | L | 92.1 | Very high | 93.2 | Very high | 26 Ų | 26 | 41.8 Ų | 41.8 | 14% | 0.136 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -15.1 | 175.3 | -58.9 | -177.8 | 0 | 0 | 0 | 113.6 | F86 L108 F110 L126 L131 F154 A155 A161 | F86-L159 HydrophobicContact CE1-CD2 3.85Å; F86-L159 HydrophobicContact CZ-CD2 4.31Å; L108-L159 HydrophobicContact CD1-CD1 3.89Å; L108-L159 HydrophobicContact CD1-CD2 4.23Å; F110-L159 HydrophobicContact CZ-CD1 4.47Å; L126-L159 HydrophobicContact CD1-CD1 4.32Å; L126-L159 HydrophobicContact CD2-CD1 4.27Å; L126-L159 HydrophobicContact CD2-CD2 3.86Å; L131-L159 HydrophobicContact CD1-CD1 4.09Å; L131-L159 HydrophobicContact CD2-CD1 4.34Å; F154-L159 HydrophobicContact CD1-CD1 3.97Å; F154-L159 HydrophobicContact CD1-CD2 4.48Å; F154-L159 HydrophobicContact CD1-CG 3.82Å; F154-L159 HydrophobicContact CE1-CD1 3.86Å; F154-L159 HydrophobicContact CE1-CD2 3.71Å; F154-L159 HydrophobicContact CE1-CG 3.55Å; F154-L159 HydrophobicContact CZ-CD2 4.36Å; F154-L159 PolarHBondContact O-N 2.78Å; F154-L159 VanDerWaalsContact O-N 3.07Å; A155-L159 WeakPolarHBondContact O-CB 3.34Å; L159-A161 PolarHBondContact O-N 2.92Å |
| 160 | Q | 93 | Very high | 92.8 | Very high | 140 Ų | 140 | 43.1 Ų | 43.1 | 65% | 0.654 | 20% | 0.204 | S | C | * | . | trans | 48.4 | 41 | -173.3 | -61.6 | -175.4 | -11.1 | 0 | 0 | 112 | A155 E156 R212 | A155-Q160 PolarHBondContact O-N 3.02Å; E156-Q160 VanDerWaalsContact O-CA 3.22Å; E156-Q160 WeakPolarHBondContact O-CA 3.2Å; E156-Q160 PolarHBondContact O-N 2.99Å; Q160-R212 PolarHBondContact O-NH2 3.36Å | ||
| 161 | A | 93.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -64.5 | 146.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | G129 A155 L159 I210 | G129-A161 CarbonylContact O-C 3.56Å; G129-A161 WeakPolarHBondContact O-CA 3.35Å; G129-A161 WeakPolarHBondContact O-CB 3.32Å; A155-A161 HydrophobicContact CB-CB 4.39Å; A155-A161 VanDerWaalsContact O-CB 3.31Å; A155-A161 WeakPolarHBondContact O-CB 3.41Å; A155-A161 PolarHBondContact O-N 3.34Å; L159-A161 PolarHBondContact O-N 2.92Å; A161-I210 HydrophobicContact CB-CD1 3.83Å; A161-I210 WeakPolarHBondContact O-CD1 3.28Å | ||
| 162 | D | 92.6 | Very high | 92.1 | Very high | 58 Ų | 58 | 48 Ų | 48 | 31% | 0.31 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -83.6 | -39.7 | 171.5 | -46.9 | -71 | 0 | 0 | 0 | 110.1 | G129 I210 R212 | G129-D162 WeakPolarHBondContact CA-OD2 3.41Å; G129-D162 PolarHBondContact O-N 2.78Å; D162-I210 PolarHBondContact O-N 2.91Å; D162-R212 IonicContact OD1-CZ 3.58Å; D162-R212 VanDerWaalsContact OD1-CZ 3.3Å; D162-R212 IonicContact OD1-NH1 2.83Å; D162-R212 PolarHBondContact OD1-NH1 3.01Å; D162-R212 IonicContact OD1-NH2 3.53Å; D162-R212 PolarHBondContact OD1-NH2 3.19Å |
| 163 | H | 93.6 | Very high | 91.8 | Very high | 54 Ų | 54 | 54.9 Ų | 54.9 | 25% | 0.25 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 141.6 | -177.1 | -52.2 | -73.1 | 0 | 0 | 0 | 112.3 | N130 L131 F165 Y208 S209 | N130-H163 WeakPolarHBondContact CA-O 3.09Å; N130-H163 PolarHBondContact OD1-CD2 2.86Å; L131-H163 PolarHBondContact N-O 3.14Å; H163-F165 HydrophobicContact CB-CD2 4.34Å; H163-F165 HydrophobicContact CB-CE2 3.69Å; H163-F165 HydrophobicContact CB-CZ 4.19Å; H163-Y208 CarbonylContact C-O 3.53Å; H163-Y208 WeakPolarHBondContact CA-O 3.26Å; H163-S209 PolarHBondContact CE1-OG 3.39Å; H163-S209 PolarHBondContact ND1-OG 2.95Å |
| 164 | V | 95.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 114.1 | 169.4 | -176.6 | 0 | 0 | 0 | 0 | 108.9 | L131 V133 L152 A155 F187 A207 Y208 I210 | L131-V164 HydrophobicContact CB-CG2 4.42Å; L131-V164 HydrophobicContact CD2-CG1 4.48Å; L131-V164 CarbonylContact O-C 3.59Å; L131-V164 WeakPolarHBondContact O-CA 3.4Å; V133-V164 HydrophobicContact CG2-CG1 4Å; L152-V164 HydrophobicContact CD2-CB 4.19Å; L152-V164 HydrophobicContact CD2-CG1 4.06Å; L152-V164 HydrophobicContact CD2-CG2 4.07Å; A155-V164 HydrophobicContact CB-CG2 3.84Å; V164-F187 HydrophobicContact CG1-CE1 4.34Å; V164-F187 HydrophobicContact CG1-CZ 4.29Å; V164-F187 WeakPolarHBondContact O-CE1 3.42Å; V164-A207 CarbonylContact O-C 3.49Å; V164-A207 WeakPolarHBondContact O-CA 3.29Å; V164-Y208 PolarHBondContact N-O 3.06Å; V164-Y208 PolarHBondContact O-N 3.26Å; V164-I210 HydrophobicContact CG2-CD1 3.98Å |
| 165 | F | 95 | Very high | 91.4 | Very high | 3 Ų | 3 | 57 Ų | 57 | 1% | 0.013 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 137.1 | 171.3 | -64.2 | -90.9 | 0 | 0 | 0 | 109.9 | N130 L131 Y132 V133 H163 V190 L196 V197 M206 A207 | N130-F165 HydrophobicContact CB-CD2 4.47Å; N130-F165 HydrophobicContact CB-CE2 4.21Å; N130-F165 WeakPolarHBondContact OD1-CE2 3.33Å; L131-F165 PolarHBondContact O-N 2.9Å; Y132-F165 CarbonylContact C-O 3.56Å; Y132-F165 WeakPolarHBondContact CA-O 3.48Å; Y132-F165 HydrophobicContact CD1-CB 3.71Å; Y132-F165 AromaticContact CD1-CD2 3.88Å; Y132-F165 HydrophobicContact CD1-CD2 3.88Å; Y132-F165 AromaticContact CD1-CG 3.91Å; Y132-F165 HydrophobicContact CD1-CG 3.91Å; Y132-F165 HydrophobicContact CE1-CB 4.2Å; Y132-F165 AromaticContact CE1-CD2 3.55Å; Y132-F165 HydrophobicContact CE1-CD2 3.55Å; Y132-F165 HydrophobicContact CE1-CE2 4.08Å; Y132-F165 AromaticContact CE1-CG 3.86Å; Y132-F165 HydrophobicContact CE1-CG 3.86Å; Y132-F165 HydrophobicContact CG-CB 4.34Å; Y132-F165 AromaticContact CZ-CD2 3.91Å; V133-F165 PolarHBondContact N-O 3.3Å; H163-F165 HydrophobicContact CB-CD2 4.34Å; H163-F165 HydrophobicContact CB-CE2 3.69Å; H163-F165 HydrophobicContact CB-CZ 4.19Å; F165-V190 HydrophobicContact CD1-CG2 4.15Å; F165-V190 HydrophobicContact CE1-CG2 4.02Å; F165-L196 HydrophobicContact CE2-CB 4.27Å; F165-L196 HydrophobicContact CE2-CD1 4.47Å; F165-L196 HydrophobicContact CZ-CB 3.74Å; F165-L196 HydrophobicContact CZ-CD1 3.99Å; F165-V197 HydrophobicContact CD1-CG2 3.94Å; F165-V197 HydrophobicContact CE1-CG2 3.76Å; F165-M206 CarbonylContact C-O 3.58Å; F165-M206 VanDerWaalsContact CA-O 3.29Å; F165-M206 WeakPolarHBondContact CA-O 3.46Å; F165-A207 HydrophobicContact CD1-CB 3.69Å; F165-A207 HydrophobicContact CE1-CB 3.57Å; F165-A207 HydrophobicContact CG-CB 4.49Å; F165-A207 HydrophobicContact CZ-CB 4.29Å |
| 166 | I | 94.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 149 | 162.4 | 59 | 173.4 | 0 | 0 | 0 | 109.8 | V133 I135 F148 F182 F187 F205 M206 | V133-I166 HydrophobicContact CB-CG2 4.31Å; V133-I166 CarbonylContact O-C 3.59Å; V133-I166 WeakPolarHBondContact O-CA 3.35Å; I135-I166 HydrophobicContact CD1-CB 3.96Å; I135-I166 HydrophobicContact CD1-CG2 3.84Å; I135-I166 HydrophobicContact CG1-CB 4.01Å; I135-I166 HydrophobicContact CG1-CG2 4.45Å; F148-I166 HydrophobicContact CE2-CG2 4.01Å; F148-I166 HydrophobicContact CZ-CG2 3.63Å; I166-F182 HydrophobicContact CD1-CB 3.52Å; I166-F182 HydrophobicContact CD1-CD1 3.56Å; I166-F182 HydrophobicContact CD1-CD2 3.31Å; I166-F182 HydrophobicContact CD1-CE1 4.06Å; I166-F182 HydrophobicContact CD1-CE2 3.83Å; I166-F182 HydrophobicContact CD1-CG 3.17Å; I166-F182 HydrophobicContact CD1-CZ 4.19Å; I166-F182 HydrophobicContact CG2-CE1 4.39Å; I166-F187 HydrophobicContact CB-CE1 4.39Å; I166-F187 HydrophobicContact CD1-CD1 4.03Å; I166-F187 HydrophobicContact CD1-CE1 4.44Å; I166-F187 HydrophobicContact CD1-CG 4.37Å; I166-F187 HydrophobicContact CG1-CD1 3.87Å; I166-F187 HydrophobicContact CG1-CE1 4.13Å; I166-F187 HydrophobicContact CG2-CD1 4.24Å; I166-F187 HydrophobicContact CG2-CE1 3.63Å; I166-F187 HydrophobicContact CG2-CZ 4.08Å; I166-F205 WeakPolarHBondContact O-CA 3.06Å; I166-M206 HydrophobicContact CD1-CB 3.94Å; I166-M206 HydrophobicContact CD1-CG 4.3Å; I166-M206 HydrophobicContact CD1-SD 3.97Å; I166-M206 HydrophobicContact CG1-CB 3.69Å; I166-M206 HydrophobicContact CG1-CG 4.35Å; I166-M206 PolarHBondContact N-O 3.06Å; I166-M206 PolarHBondContact O-N 2.93Å; I166-M206 VanDerWaalsContact O-N 3.1Å |
| 167 | C | 91.3 | Very high | 91.2 | Very high | 5 Ų | 5 | 58.4 Ų | 58.4 | 3% | 0.034 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 146 | 175.1 | 62.9 | 0 | 0 | 0 | 0 | 113.8 | F15 V133 I135 F204 F205 | F15-C167 VanDerWaalsContact CZ-SG 3.6Å; V133-C167 PolarHBondContact O-N 3.47Å; V133-C167 PolarHBondContact O-SG 2.9Å; V133-C167 VanDerWaalsContact O-SG 3.37Å; I135-C167 PolarHBondContact N-O 3.32Å; C167-F204 VanDerWaalsContact CA-O 3.26Å; C167-F204 WeakPolarHBondContact CA-O 3.47Å; C167-F205 HydrophobicContact CB-CD1 3.49Å; C167-F205 VanDerWaalsContact CB-CD1 3.49Å; C167-F205 HydrophobicContact CB-CE1 3.51Å; C167-F205 HydrophobicContact CB-CG 4.18Å; C167-F205 HydrophobicContact CB-CZ 4.23Å |
| 168 | F | 90.6 | Very high | 91.2 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.009 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 162.4 | -179.2 | 56.1 | -95.3 | 0 | 0 | 0 | 111.3 | I135 R175 L178 L179 A203 F204 | I135-F168 HydrophobicContact CB-CB 4.18Å; I135-F168 HydrophobicContact CG1-CD1 4.37Å; F168-R175 HydrophobicContact CE2-CB 4.43Å; F168-R175 HydrophobicContact CE2-CG 3.97Å; F168-R175 HydrophobicContact CZ-CG 4.48Å; F168-L178 HydrophobicContact CD1-CD1 4.18Å; F168-L178 HydrophobicContact CD2-CD1 4.08Å; F168-L178 HydrophobicContact CE1-CB 4.3Å; F168-L178 HydrophobicContact CE1-CD1 4.4Å; F168-L178 HydrophobicContact CE2-CD1 4.32Å; F168-L178 HydrophobicContact CG-CD1 4.02Å; F168-L178 HydrophobicContact CZ-CB 4.33Å; F168-L178 HydrophobicContact CZ-CD1 4.47Å; F168-L179 HydrophobicContact CZ-CD2 4.03Å; F168-L179 HydrophobicContact CZ-CG 4.49Å; F168-A203 WeakPolarHBondContact O-CA 3.49Å; F168-F204 HydrophobicContact CD2-CB 4.05Å; F168-F204 HydrophobicContact CE1-CB 4.46Å; F168-F204 HydrophobicContact CE1-CD1 4.24Å; F168-F204 HydrophobicContact CE2-CB 3.61Å; F168-F204 HydrophobicContact CE2-CD1 4.3Å; F168-F204 HydrophobicContact CE2-CG 4.07Å; F168-F204 HydrophobicContact CZ-CB 3.85Å; F168-F204 AromaticContact CZ-CD1 3.71Å; F168-F204 HydrophobicContact CZ-CD1 3.71Å; F168-F204 AromaticContact CZ-CG 3.96Å; F168-F204 HydrophobicContact CZ-CG 3.96Å; F168-F204 PolarHBondContact N-O 2.92Å; F168-F204 PolarHBondContact O-N 3.45Å |
| 169 | H | 88.1 | Confident | 91.2 | Very high | 78 Ų | 78 | 50.5 Ų | 50.5 | 36% | 0.361 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 132.9 | -179.7 | -168.1 | 55 | 0 | 0 | 0 | 112.5 | N171 R172 D202 | H169-N171 PolarHBondContact NE2-ND2 3.05Å; H169-N171 PolarHBondContact O-N 3.5Å; H169-R172 HydrophobicContact CB-CG 4.33Å; H169-R172 WeakPolarHBondContact O-CG 3.36Å; H169-R172 PolarHBondContact O-N 3.34Å; H169-D202 VanDerWaalsContact CE1-CB 3.41Å; H169-D202 WeakPolarHBondContact CE1-CB 3.1Å; H169-D202 PolarHBondContact ND1-O 3.34Å; H169-D202 VanDerWaalsContact ND1-O 3.1Å |
| 170 | K | 85.6 | Confident | 91.2 | Very high | 81 Ų | 81 | 56.3 Ų | 56.3 | 35% | 0.352 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -19.6 | -170.7 | 77.9 | -171.2 | 176.7 | 176.3 | 0 | 114.8 | R175 P201 D202 | K170-R175 PolarHBondContact O-NH1 3.14Å; K170-P201 VanDerWaalsContact CD-O 3.28Å; K170-P201 WeakPolarHBondContact CD-O 3.48Å; K170-P201 WeakPolarHBondContact CE-O 3.33Å; K170-P201 PolarHBondContact NZ-O 3.46Å; K170-D202 WeakPolarHBondContact CB-O 3.19Å; K170-D202 WeakPolarHBondContact CG-O 3.31Å; K170-D202 PolarHBondContact N-O 2.96Å |
| 171 | N | 85.6 | Confident | 91.2 | Very high | 103 Ų | 103 | 52.8 Ų | 52.8 | 55% | 0.551 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | 19.2 | -176.2 | -59.4 | -26.8 | 0 | 0 | 0 | 112.8 | H169 | H169-N171 PolarHBondContact NE2-ND2 3.05Å; H169-N171 PolarHBondContact O-N 3.5Å |
| 172 | R | 86 | Confident | 91.3 | Very high | 24 Ų | 24 | 52.9 Ų | 52.9 | 9% | 0.091 | 27% | 0.269 | C | S | . | . | trans | -74.7 | 134.7 | 176 | -81.5 | 176.7 | 70.6 | 148.3 | 5 | 112.3 | I135 P136 G138 H169 D174 R175 | I135-R172 PolarHBondContact O-NH1 3.35Å; P136-R172 VanDerWaalsContact C-NH1 3.33Å; P136-R172 VanDerWaalsContact O-CZ 3.27Å; P136-R172 PolarHBondContact O-NH1 2.78Å; P136-R172 PolarHBondContact O-NH2 3.23Å; G138-R172 PolarHBondContact O-NH2 3.03Å; H169-R172 HydrophobicContact CB-CG 4.33Å; H169-R172 WeakPolarHBondContact O-CG 3.36Å; H169-R172 PolarHBondContact O-N 3.34Å; R172-D174 VanDerWaalsContact C-N 3.28Å; R172-D174 WeakPolarHBondContact CB-OD1 3.49Å; R172-D174 IonicContact CZ-OD1 3.53Å; R172-D174 IonicContact CZ-OD2 2.75Å; R172-D174 IonicContact NE-OD1 3.37Å; R172-D174 PolarHBondContact NE-OD1 3.18Å; R172-D174 IonicContact NE-OD2 2.7Å; R172-D174 IonicContact NH2-OD1 3.66Å; R172-D174 PolarHBondContact NH2-OD1 3.06Å; R172-D174 IonicContact NH2-OD2 2.74Å; R172-D174 PolarHBondContact NH2-OD2 2.82Å; R172-D174 PolarHBondContact O-N 3.13Å; R172-R175 HydrophobicContact CB-CB 4.5Å; R172-R175 WeakPolarHBondContact O-CB 3.19Å; R172-R175 PolarHBondContact O-N 3.12Å | ||
| 173 | D | 88.6 | Confident | 91.4 | Very high | 172 Ų | 172 | 53.8 Ų | 53.8 | 92% | 0.92 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -34.7 | 175.7 | -58.9 | -45.1 | 0 | 0 | 0 | 112 | R175 | D173-R175 VanDerWaalsContact C-N 3.28Å; D173-R175 PolarHBondContact O-N 2.86Å |
| 174 | D | 89.9 | Confident | 91.4 | Very high | 37 Ų | 37 | 59.6 Ų | 59.6 | 20% | 0.198 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 3.6 | 179 | 68.3 | -39.3 | 0 | 0 | 0 | 114.1 | R172 A176 S177 L178 | R172-D174 VanDerWaalsContact C-N 3.28Å; R172-D174 WeakPolarHBondContact CB-OD1 3.49Å; R172-D174 IonicContact CZ-OD1 3.53Å; R172-D174 IonicContact CZ-OD2 2.75Å; R172-D174 IonicContact NE-OD1 3.37Å; R172-D174 PolarHBondContact NE-OD1 3.18Å; R172-D174 IonicContact NE-OD2 2.7Å; R172-D174 IonicContact NH2-OD1 3.66Å; R172-D174 PolarHBondContact NH2-OD1 3.06Å; R172-D174 IonicContact NH2-OD2 2.74Å; R172-D174 PolarHBondContact NH2-OD2 2.82Å; R172-D174 PolarHBondContact O-N 3.13Å; D174-A176 VanDerWaalsContact C-N 3.3Å; D174-A176 PolarHBondContact O-N 3.4Å; D174-A176 VanDerWaalsContact O-N 3.17Å; D174-S177 WeakPolarHBondContact O-CA 3.49Å; D174-S177 WeakPolarHBondContact O-CB 3.44Å; D174-S177 PolarHBondContact O-N 3.3Å; D174-L178 PolarHBondContact O-N 3.37Å |
| 175 | R | 91.3 | Very high | 91.1 | Very high | 114 Ų | 114 | 62.3 Ų | 62.3 | 43% | 0.43 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -46.9 | -49 | -179.3 | 174.1 | 179.5 | 82.5 | -153.2 | 3.7 | 113.2 | F168 K170 R172 D173 S177 L178 L179 | F168-R175 HydrophobicContact CE2-CB 4.43Å; F168-R175 HydrophobicContact CE2-CG 3.97Å; F168-R175 HydrophobicContact CZ-CG 4.48Å; K170-R175 PolarHBondContact O-NH1 3.14Å; R172-R175 HydrophobicContact CB-CB 4.5Å; R172-R175 WeakPolarHBondContact O-CB 3.19Å; R172-R175 PolarHBondContact O-N 3.12Å; D173-R175 VanDerWaalsContact C-N 3.28Å; D173-R175 PolarHBondContact O-N 2.86Å; R175-S177 PolarHBondContact O-N 3.28Å; R175-L178 PolarHBondContact O-N 3.37Å; R175-L179 HydrophobicContact CG-CD1 3.99Å; R175-L179 HydrophobicContact CG-CG 4.21Å; R175-L179 VanDerWaalsContact O-CG 3.31Å; R175-L179 WeakPolarHBondContact O-CG 3.46Å; R175-L179 PolarHBondContact O-N 3.2Å |
| 176 | A | 91.8 | Very high | 91.1 | Very high | 59 Ų | 59 | 64.3 Ų | 64.3 | 49% | 0.488 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.2 | -32.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | D174 R180 | D174-A176 VanDerWaalsContact C-N 3.3Å; D174-A176 PolarHBondContact O-N 3.4Å; D174-A176 VanDerWaalsContact O-N 3.17Å; A176-R180 WeakPolarHBondContact O-CB 3.49Å; A176-R180 PolarHBondContact O-N 3.41Å |
| 177 | S | 91.8 | Very high | 91.1 | Very high | 63 Ų | 63 | 64.5 Ų | 64.5 | 44% | 0.441 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -72.1 | -44 | 174.1 | -61.3 | 0 | 0 | 0 | 0 | 111.1 | D174 R175 R180 T181 | D174-S177 WeakPolarHBondContact O-CA 3.49Å; D174-S177 WeakPolarHBondContact O-CB 3.44Å; D174-S177 PolarHBondContact O-N 3.3Å; R175-S177 PolarHBondContact O-N 3.28Å; S177-R180 PolarHBondContact O-N 2.82Å; S177-T181 WeakPolarHBondContact O-CB 3.5Å; S177-T181 PolarHBondContact O-N 3.01Å; S177-T181 PolarHBondContact O-OG1 2.83Å |
| 178 | L | 91.6 | Very high | 91.3 | Very high | 5 Ų | 5 | 71.5 Ų | 71.5 | 3% | 0.026 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.3 | -50 | 175.6 | -62.1 | 175 | 0 | 0 | 0 | 111.8 | I135 L140 F168 D174 R175 R180 T181 F182 | I135-L178 HydrophobicContact CG2-CD1 4.5Å; I135-L178 HydrophobicContact CG2-CD2 4.18Å; L140-L178 HydrophobicContact CD1-CD2 4.3Å; L140-L178 HydrophobicContact CG-CD2 4.31Å; F168-L178 HydrophobicContact CD1-CD1 4.18Å; F168-L178 HydrophobicContact CD2-CD1 4.08Å; F168-L178 HydrophobicContact CE1-CB 4.3Å; F168-L178 HydrophobicContact CE1-CD1 4.4Å; F168-L178 HydrophobicContact CE2-CD1 4.32Å; F168-L178 HydrophobicContact CG-CD1 4.02Å; F168-L178 HydrophobicContact CZ-CB 4.33Å; F168-L178 HydrophobicContact CZ-CD1 4.47Å; D174-L178 PolarHBondContact O-N 3.37Å; R175-L178 PolarHBondContact O-N 3.37Å; L178-R180 VanDerWaalsContact C-N 3.28Å; L178-R180 PolarHBondContact O-N 2.74Å; L178-T181 PolarHBondContact O-N 3.47Å; L178-F182 HydrophobicContact CB-CD2 4.38Å; L178-F182 HydrophobicContact CD2-CE2 4.2Å; L178-F182 VanDerWaalsContact O-CD2 3.26Å; L178-F182 WeakPolarHBondContact O-CD2 3.35Å; L178-F182 PolarHBondContact O-N 3.27Å |
| 179 | L | 93.1 | Very high | 91.5 | Very high | 37 Ų | 37 | 76.3 Ų | 76.3 | 19% | 0.194 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -54.4 | -45.3 | 177.1 | -68.4 | 177.7 | 0 | 0 | 0 | 111.4 | F168 R175 S183 I189 F204 M206 | F168-L179 HydrophobicContact CZ-CD2 4.03Å; F168-L179 HydrophobicContact CZ-CG 4.49Å; R175-L179 HydrophobicContact CG-CD1 3.99Å; R175-L179 HydrophobicContact CG-CG 4.21Å; R175-L179 VanDerWaalsContact O-CG 3.31Å; R175-L179 WeakPolarHBondContact O-CG 3.46Å; R175-L179 PolarHBondContact O-N 3.2Å; L179-S183 WeakPolarHBondContact O-CB 3.45Å; L179-S183 PolarHBondContact O-N 3.02Å; L179-I189 HydrophobicContact CD2-CD1 4.39Å; L179-I189 HydrophobicContact CD2-CG1 4.39Å; L179-F204 HydrophobicContact CD2-CD1 3.88Å; L179-F204 HydrophobicContact CD2-CE1 3.34Å; L179-F204 HydrophobicContact CD2-CZ 3.79Å; L179-M206 HydrophobicContact CD2-CE 4.42Å; L179-M206 HydrophobicContact CD2-CG 4.3Å; L179-M206 HydrophobicContact CD2-SD 3.59Å; L179-M206 VanDerWaalsContact CD2-SD 3.59Å |
| 180 | R | 93.5 | Very high | 91.7 | Very high | 147 Ų | 147 | 73.6 Ų | 73.6 | 56% | 0.555 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -63.6 | -50 | 177.4 | -174.8 | -173.4 | -62.1 | 115.5 | -1.7 | 111.6 | A176 S177 L178 S183 F184 | A176-R180 WeakPolarHBondContact O-CB 3.49Å; A176-R180 PolarHBondContact O-N 3.41Å; S177-R180 PolarHBondContact O-N 2.82Å; L178-R180 VanDerWaalsContact C-N 3.28Å; L178-R180 PolarHBondContact O-N 2.74Å; R180-S183 PolarHBondContact O-N 3.49Å; R180-F184 HydrophobicContact CG-CD2 3.86Å; R180-F184 HydrophobicContact CG-CE2 3.48Å; R180-F184 VanDerWaalsContact CG-CE2 3.48Å; R180-F184 HydrophobicContact CG-CZ 4.42Å; R180-F184 WeakPolarHBondContact O-CD2 3.37Å; R180-F184 PolarHBondContact O-N 2.87Å |
| 181 | T | 92.4 | Very high | 91.7 | Very high | 66 Ų | 66 | 79.8 Ų | 79.8 | 41% | 0.405 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.5 | -49.3 | -178.2 | -62.6 | 0 | 0 | 0 | 0 | 111.8 | S177 L178 F184 L185 | S177-T181 WeakPolarHBondContact O-CB 3.5Å; S177-T181 PolarHBondContact O-N 3.01Å; S177-T181 PolarHBondContact O-OG1 2.83Å; L178-T181 PolarHBondContact O-N 3.47Å; T181-F184 PolarHBondContact O-N 3.48Å; T181-L185 PolarHBondContact O-N 2.94Å |
| 182 | F | 94.1 | Very high | 91.5 | Very high | 3 Ų | 3 | 81.1 Ų | 81.1 | 1% | 0.013 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -75.3 | -31.6 | -178.1 | -70.6 | -69.9 | 0 | 0 | 0 | 112.6 | I135 L140 F148 I166 L178 F184 L185 G186 F187 M206 | I135-F182 HydrophobicContact CD1-CE1 4.4Å; I135-F182 HydrophobicContact CD1-CE2 4.08Å; I135-F182 HydrophobicContact CD1-CZ 3.63Å; I135-F182 HydrophobicContact CG1-CE2 4.18Å; I135-F182 HydrophobicContact CG1-CZ 4.25Å; I135-F182 HydrophobicContact CG2-CE2 4.41Å; L140-F182 HydrophobicContact CD1-CE2 4.44Å; L140-F182 HydrophobicContact CD1-CZ 4.26Å; F148-F182 HydrophobicContact CD1-CE1 4.28Å; F148-F182 HydrophobicContact CD2-CE1 4.33Å; F148-F182 HydrophobicContact CE1-CD1 4.37Å; F148-F182 AromaticContact CE1-CE1 3.93Å; F148-F182 HydrophobicContact CE1-CE1 3.93Å; F148-F182 AromaticContact CE2-CE1 3.98Å; F148-F182 HydrophobicContact CE2-CE1 3.98Å; F148-F182 HydrophobicContact CG-CE1 4.47Å; F148-F182 HydrophobicContact CZ-CD1 4.4Å; F148-F182 AromaticContact CZ-CE1 3.77Å; F148-F182 HydrophobicContact CZ-CE1 3.77Å; I166-F182 HydrophobicContact CD1-CB 3.52Å; I166-F182 HydrophobicContact CD1-CD1 3.56Å; I166-F182 HydrophobicContact CD1-CD2 3.31Å; I166-F182 HydrophobicContact CD1-CE1 4.06Å; I166-F182 HydrophobicContact CD1-CE2 3.83Å; I166-F182 HydrophobicContact CD1-CG 3.17Å; I166-F182 HydrophobicContact CD1-CZ 4.19Å; I166-F182 HydrophobicContact CG2-CE1 4.39Å; L178-F182 HydrophobicContact CB-CD2 4.38Å; L178-F182 HydrophobicContact CD2-CE2 4.2Å; L178-F182 VanDerWaalsContact O-CD2 3.26Å; L178-F182 WeakPolarHBondContact O-CD2 3.35Å; L178-F182 PolarHBondContact O-N 3.27Å; F182-F184 VanDerWaalsContact C-N 3.3Å; F182-F184 PolarHBondContact O-N 3.06Å; F182-L185 HydrophobicContact CD1-CD1 3.93Å; F182-L185 HydrophobicContact CE1-CD1 4.28Å; F182-L185 CarbonylContact O-C 3.45Å; F182-L185 WeakPolarHBondContact O-CA 3.25Å; F182-L185 WeakPolarHBondContact O-CB 3.08Å; F182-L185 PolarHBondContact O-N 3.49Å; F182-G186 PolarHBondContact O-N 2.7Å; F182-F187 HydrophobicContact CB-CB 3.98Å; F182-F187 HydrophobicContact CB-CD2 4.26Å; F182-F187 HydrophobicContact CB-CG 4.16Å; F182-F187 HydrophobicContact CD1-CD2 4.19Å; F182-F187 HydrophobicContact CD1-CE2 4.3Å; F182-F187 WeakPolarHBondContact O-CB 3.3Å; F182-F187 PolarHBondContact O-N 2.95Å; F182-M206 HydrophobicContact CB-CE 3.97Å; F182-M206 HydrophobicContact CB-SD 3.98Å |
| 183 | S | 94.8 | Very high | 91.1 | Very high | 76 Ų | 76 | 83.5 Ų | 83.5 | 53% | 0.531 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.3 | -36.2 | 170.4 | -179.9 | 0 | 0 | 0 | 0 | 112.4 | L179 R180 L185 G186 F187 | L179-S183 WeakPolarHBondContact O-CB 3.45Å; L179-S183 PolarHBondContact O-N 3.02Å; R180-S183 PolarHBondContact O-N 3.49Å; S183-L185 PolarHBondContact O-N 3.22Å; S183-G186 PolarHBondContact O-N 2.87Å; S183-G186 VanDerWaalsContact O-N 3.1Å; S183-F187 WeakPolarHBondContact CA-O 3.34Å |
| 184 | F | 93.3 | Very high | 90.9 | Very high | 176 Ų | 176 | 79 Ų | 79 | 77% | 0.772 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -67.8 | -19 | 170.6 | -76.9 | -53.4 | 0 | 0 | 0 | 114.2 | R180 T181 F182 G186 | R180-F184 HydrophobicContact CG-CD2 3.86Å; R180-F184 HydrophobicContact CG-CE2 3.48Å; R180-F184 VanDerWaalsContact CG-CE2 3.48Å; R180-F184 HydrophobicContact CG-CZ 4.42Å; R180-F184 WeakPolarHBondContact O-CD2 3.37Å; R180-F184 PolarHBondContact O-N 2.87Å; T181-F184 PolarHBondContact O-N 3.48Å; F182-F184 VanDerWaalsContact C-N 3.3Å; F182-F184 PolarHBondContact O-N 3.06Å; F184-G186 VanDerWaalsContact C-N 3.32Å |
| 185 | L | 91.6 | Very high | 90.6 | Very high | 58 Ų | 58 | 82.5 Ų | 82.5 | 30% | 0.304 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | 9.7 | 172 | -63.8 | 172.8 | 0 | 0 | 0 | 112.5 | F148 T181 F182 S183 F187 | F148-L185 HydrophobicContact CD1-CD1 4.39Å; T181-L185 PolarHBondContact O-N 2.94Å; F182-L185 HydrophobicContact CD1-CD1 3.93Å; F182-L185 HydrophobicContact CE1-CD1 4.28Å; F182-L185 CarbonylContact O-C 3.45Å; F182-L185 WeakPolarHBondContact O-CA 3.25Å; F182-L185 WeakPolarHBondContact O-CB 3.08Å; F182-L185 PolarHBondContact O-N 3.49Å; S183-L185 PolarHBondContact O-N 3.22Å; L185-F187 HydrophobicContact CB-CD2 4.02Å; L185-F187 HydrophobicContact CB-CE2 4.31Å |
| 186 | G | 93.6 | Very high | 90.1 | Very high | 45 Ų | 45 | 79.7 Ų | 79.7 | 46% | 0.464 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | 8.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | F182 S183 F184 | F182-G186 PolarHBondContact O-N 2.7Å; S183-G186 PolarHBondContact O-N 2.87Å; S183-G186 VanDerWaalsContact O-N 3.1Å; F184-G186 VanDerWaalsContact C-N 3.32Å |
| 187 | F | 95.7 | Very high | 89.6 | Confident | 3 Ų | 3 | 77.5 Ų | 77.5 | 1% | 0.013 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 130.3 | 175.2 | -74.1 | -107.1 | 0 | 0 | 0 | 111.8 | F148 L152 V164 I166 F182 S183 L185 M206 A207 Y208 | F148-F187 AromaticContact CE1-CE2 3.74Å; F148-F187 HydrophobicContact CE1-CE2 3.74Å; F148-F187 AromaticContact CE1-CZ 3.65Å; F148-F187 HydrophobicContact CE1-CZ 3.65Å; F148-F187 HydrophobicContact CZ-CE2 4.21Å; F148-F187 AromaticContact CZ-CZ 3.71Å; F148-F187 HydrophobicContact CZ-CZ 3.71Å; L152-F187 HydrophobicContact CD2-CZ 4.14Å; V164-F187 HydrophobicContact CG1-CE1 4.34Å; V164-F187 HydrophobicContact CG1-CZ 4.29Å; V164-F187 WeakPolarHBondContact O-CE1 3.42Å; I166-F187 HydrophobicContact CB-CE1 4.39Å; I166-F187 HydrophobicContact CD1-CD1 4.03Å; I166-F187 HydrophobicContact CD1-CE1 4.44Å; I166-F187 HydrophobicContact CD1-CG 4.37Å; I166-F187 HydrophobicContact CG1-CD1 3.87Å; I166-F187 HydrophobicContact CG1-CE1 4.13Å; I166-F187 HydrophobicContact CG2-CD1 4.24Å; I166-F187 HydrophobicContact CG2-CE1 3.63Å; I166-F187 HydrophobicContact CG2-CZ 4.08Å; F182-F187 HydrophobicContact CB-CB 3.98Å; F182-F187 HydrophobicContact CB-CD2 4.26Å; F182-F187 HydrophobicContact CB-CG 4.16Å; F182-F187 HydrophobicContact CD1-CD2 4.19Å; F182-F187 HydrophobicContact CD1-CE2 4.3Å; F182-F187 WeakPolarHBondContact O-CB 3.3Å; F182-F187 PolarHBondContact O-N 2.95Å; S183-F187 WeakPolarHBondContact CA-O 3.34Å; L185-F187 HydrophobicContact CB-CD2 4.02Å; L185-F187 HydrophobicContact CB-CE2 4.31Å; F187-M206 HydrophobicContact CB-CB 4Å; F187-M206 HydrophobicContact CB-CE 3.87Å; F187-M206 HydrophobicContact CD1-CB 4.3Å; F187-M206 VanDerWaalsContact O-CE 3.23Å; F187-M206 WeakPolarHBondContact O-CE 3.44Å; F187-A207 CarbonylContact C-O 3.58Å; F187-A207 VanDerWaalsContact CA-O 3.3Å; F187-A207 WeakPolarHBondContact CA-O 3.18Å; F187-Y208 HydrophobicContact CD2-CD2 4.49Å; F187-Y208 HydrophobicContact CD2-CG 4.49Å; F187-Y208 VanDerWaalsContact CE1-CB 3.46Å; F187-Y208 HydrophobicContact CE2-CD2 4.46Å; F187-Y208 HydrophobicContact CE2-CG 4.17Å; F187-Y208 VanDerWaalsContact CZ-CB 3.48Å; F187-Y208 HydrophobicContact CZ-CG 4.24Å |
| 188 | E | 95.5 | Very high | 88.8 | Confident | 152 Ų | 152 | 74.7 Ų | 74.7 | 71% | 0.71 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99 | 150 | 176.6 | -58.9 | -161.1 | 140.2 | 0 | 0 | 112.4 | V190 M206 A207 | E188-V190 PolarHBondContact O-N 3.17Å; E188-M206 CarbonylContact O-C 3.43Å; E188-M206 WeakPolarHBondContact O-CA 3.45Å; E188-M206 VanDerWaalsContact O-CB 3.25Å; E188-M206 WeakPolarHBondContact O-CB 3.4Å; E188-A207 PolarHBondContact N-O 3.23Å; E188-A207 PolarHBondContact O-N 3.31Å |
| 189 | I | 93.8 | Very high | 88.1 | Confident | 104 Ų | 104 | 79.7 Ų | 79.7 | 53% | 0.533 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 119.8 | 178.5 | -65 | 173.6 | 0 | 0 | 0 | 110.1 | L179 F204 M206 | L179-I189 HydrophobicContact CD2-CD1 4.39Å; L179-I189 HydrophobicContact CD2-CG1 4.39Å; I189-F204 HydrophobicContact CB-CE1 4.44Å; I189-F204 HydrophobicContact CB-CZ 4.44Å; I189-F204 HydrophobicContact CD1-CZ 4.23Å; I189-F204 HydrophobicContact CG1-CE1 4.11Å; I189-F204 HydrophobicContact CG1-CZ 4.18Å; I189-F204 HydrophobicContact CG2-CE1 3.81Å; I189-F204 HydrophobicContact CG2-CZ 3.51Å; I189-M206 HydrophobicContact CG1-CE 4.4Å; I189-M206 HydrophobicContact CG1-CG 4.48Å |
| 190 | V | 91.7 | Very high | 87.2 | Confident | 20 Ų | 20 | 79.5 Ų | 79.5 | 12% | 0.121 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -85.1 | 129.5 | 177.4 | -169 | 0 | 0 | 0 | 0 | 110.4 | F165 E188 H194 V197 F205 A207 | F165-V190 HydrophobicContact CD1-CG2 4.15Å; F165-V190 HydrophobicContact CE1-CG2 4.02Å; E188-V190 PolarHBondContact O-N 3.17Å; V190-H194 HydrophobicContact CG1-CB 3.45Å; V190-H194 VanDerWaalsContact CG1-CB 3.45Å; V190-V197 HydrophobicContact CB-CG2 4.16Å; V190-V197 HydrophobicContact CG1-CB 4.5Å; V190-V197 HydrophobicContact CG1-CG2 3.54Å; V190-V197 HydrophobicContact CG2-CG2 4.47Å; V190-F205 HydrophobicContact CB-CB 4.27Å; V190-F205 PolarHBondContact N-O 3.2Å; V190-F205 VanDerWaalsContact N-O 3.12Å; V190-A207 HydrophobicContact CG2-CB 3.47Å; V190-A207 VanDerWaalsContact CG2-CB 3.47Å |
| 191 | R | 86.3 | Confident | 86.5 | Confident | 212 Ų | 212 | 77.7 Ų | 77.7 | 80% | 0.8 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 137.9 | 177.8 | -63.7 | -179.1 | -175.7 | 167.6 | 3.5 | 110.8 | G193 H194 | R191-G193 PolarHBondContact O-N 3.38Å; R191-H194 WeakPolarHBondContact O-CB 3.39Å; R191-H194 PolarHBondContact O-N 3.03Å |
| 192 | P | 81 | Confident | 86.1 | Confident | 131 Ų | 131 | 77 Ų | 77 | 85% | 0.851 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 136.3 | 170.8 | -25.9 | 34.9 | 0 | 0 | 0 | 111.5 | ||
| 193 | G | 78.8 | Confident | 85.7 | Confident | 74 Ų | 74 | 77.5 Ų | 77.5 | 76% | 0.763 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.5 | 2.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | R191 | R191-G193 PolarHBondContact O-N 3.38Š|
| 194 | H | 82.9 | Confident | 85.5 | Confident | 76 Ų | 76 | 76.3 Ų | 76.3 | 35% | 0.352 | 43% | 0.429 | S | S | . | . | trans | -59.5 | 134.8 | 171.4 | -169.4 | -98.5 | 0 | 0 | 0 | 111.6 | V190 R191 L196 V197 | V190-H194 HydrophobicContact CG1-CB 3.45Å; V190-H194 VanDerWaalsContact CG1-CB 3.45Å; R191-H194 WeakPolarHBondContact O-CB 3.39Å; R191-H194 PolarHBondContact O-N 3.03Å; H194-L196 VanDerWaalsContact C-N 3.26Å; H194-L196 PolarHBondContact O-N 2.97Å; H194-L196 VanDerWaalsContact O-N 3.14Å; H194-V197 HydrophobicContact CB-CB 4.27Å; H194-V197 HydrophobicContact CB-CG2 4.29Å; H194-V197 PolarHBondContact O-N 2.92Å | ||
| 195 | P | 83.2 | Confident | 85.4 | Confident | 112 Ų | 112 | 68.5 Ų | 68.5 | 73% | 0.727 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -25.9 | -170.2 | 23.7 | -35.5 | 0 | 0 | 0 | 114.9 | ||
| 196 | L | 82.3 | Confident | 85.6 | Confident | 54 Ų | 54 | 65.9 Ų | 65.9 | 28% | 0.283 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -21.4 | 174.9 | -58.2 | -179.3 | 0 | 0 | 0 | 112.9 | Y132 F165 H194 | Y132-L196 WeakPolarHBondContact CE1-O 3.26Å; Y132-L196 PolarHBondContact OH-O 3.22Å; F165-L196 HydrophobicContact CE2-CB 4.27Å; F165-L196 HydrophobicContact CE2-CD1 4.47Å; F165-L196 HydrophobicContact CZ-CB 3.74Å; F165-L196 HydrophobicContact CZ-CD1 3.99Å; H194-L196 VanDerWaalsContact C-N 3.26Å; H194-L196 PolarHBondContact O-N 2.97Å; H194-L196 VanDerWaalsContact O-N 3.14Å |
| 197 | V | 81.3 | Confident | 85.7 | Confident | 13 Ų | 13 | 64.5 Ų | 64.5 | 8% | 0.079 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -92.2 | 129.9 | -175.3 | 171.4 | 0 | 0 | 0 | 0 | 111 | F165 V190 H194 S199 F205 | F165-V197 HydrophobicContact CD1-CG2 3.94Å; F165-V197 HydrophobicContact CE1-CG2 3.76Å; V190-V197 HydrophobicContact CB-CG2 4.16Å; V190-V197 HydrophobicContact CG1-CB 4.5Å; V190-V197 HydrophobicContact CG1-CG2 3.54Å; V190-V197 HydrophobicContact CG2-CG2 4.47Å; H194-V197 HydrophobicContact CB-CB 4.27Å; H194-V197 HydrophobicContact CB-CG2 4.29Å; H194-V197 PolarHBondContact O-N 2.92Å; V197-S199 PolarHBondContact O-N 3.02Å; V197-F205 HydrophobicContact CG1-CB 4.18Å; V197-F205 HydrophobicContact CG1-CD1 3.82Å; V197-F205 HydrophobicContact CG1-CD2 3.42Å; V197-F205 VanDerWaalsContact CG1-CD2 3.42Å; V197-F205 HydrophobicContact CG1-CE1 3.96Å; V197-F205 HydrophobicContact CG1-CE2 3.56Å; V197-F205 HydrophobicContact CG1-CG 3.55Å; V197-F205 HydrophobicContact CG1-CZ 3.81Å; V197-F205 HydrophobicContact CG2-CB 4.33Å; V197-F205 HydrophobicContact CG2-CD1 4.43Å; V197-F205 HydrophobicContact CG2-CG 4.37Å |
| 198 | P | 75.4 | Confident | 85.7 | Confident | 4 Ų | 4 | 67.5 Ų | 67.5 | 3% | 0.026 | 38% | 0.377 | C | S | . | . | trans | -57.1 | 135.7 | 172.7 | -21.1 | 30.5 | 0 | 0 | 0 | 111.8 | L6 L10 R200 F205 | L6-P198 HydrophobicContact CD2-CB 4.41Å; L6-P198 HydrophobicContact CD2-CG 3.98Å; L10-P198 HydrophobicContact CD1-CB 4.07Å; L10-P198 HydrophobicContact CD2-CB 3.76Å; L10-P198 HydrophobicContact CG-CB 4.04Å; P198-R200 PolarHBondContact O-N 2.88Å; P198-F205 HydrophobicContact CG-CZ 4.49Å | ||
| 199 | S | 75.6 | Confident | 85.6 | Confident | 111 Ų | 111 | 63.5 Ų | 63.5 | 78% | 0.776 | 37% | 0.366 | S | S | * | . | trans | -66.4 | 95.2 | 175.3 | -169.9 | 0 | 0 | 0 | 0 | 110.8 | V197 | V197-S199 PolarHBondContact O-N 3.02Š| ||
| 200 | R | 74.8 | Confident | 85.5 | Confident | 33 Ų | 33 | 59.4 Ų | 59.4 | 13% | 0.125 | 35% | 0.345 | C | S | . | . | trans | -128.8 | 115.2 | 173.2 | -102 | -159.8 | -54.3 | 178.5 | -1.1 | 109.8 | L10 F15 P198 D202 A203 F205 | L10-R200 HydrophobicContact CD2-CG 3.65Å; F15-R200 VanDerWaalsContact CE2-NH1 3.29Å; F15-R200 VanDerWaalsContact CE2-NH2 3.34Å; F15-R200 VanDerWaalsContact CZ-NH1 3.32Å; P198-R200 PolarHBondContact O-N 2.88Å; R200-D202 VanDerWaalsContact C-N 3.26Å; R200-D202 VanDerWaalsContact CB-OD1 3.28Å; R200-D202 WeakPolarHBondContact CB-OD1 3.23Å; R200-D202 VanDerWaalsContact CD-OD1 3.3Å; R200-D202 WeakPolarHBondContact CD-OD1 3.4Å; R200-D202 WeakPolarHBondContact CG-OD1 3.46Å; R200-D202 PolarHBondContact O-N 3.29Å; R200-A203 HydrophobicContact CB-CB 4.16Å; R200-A203 VanDerWaalsContact NE-CB 3.33Å; R200-F205 HydrophobicContact CB-CE2 4.25Å | ||
| 201 | P | 79.3 | Confident | 85.2 | Confident | 109 Ų | 109 | 66.5 Ų | 66.5 | 71% | 0.708 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -79.2 | -9.8 | 176.9 | 33.5 | -35.6 | 0 | 0 | 0 | 113.1 | K170 | K170-P201 VanDerWaalsContact CD-O 3.28Å; K170-P201 WeakPolarHBondContact CD-O 3.48Å; K170-P201 WeakPolarHBondContact CE-O 3.33Å; K170-P201 PolarHBondContact NZ-O 3.46Å |
| 202 | D | 83.5 | Confident | 84.7 | Confident | 51 Ų | 51 | 63.3 Ų | 63.3 | 27% | 0.273 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -95.2 | -24.2 | -176.3 | 58.7 | -53.2 | 0 | 0 | 0 | 113.6 | H169 K170 R200 | H169-D202 VanDerWaalsContact CE1-CB 3.41Å; H169-D202 WeakPolarHBondContact CE1-CB 3.1Å; H169-D202 PolarHBondContact ND1-O 3.34Å; H169-D202 VanDerWaalsContact ND1-O 3.1Å; K170-D202 WeakPolarHBondContact CB-O 3.19Å; K170-D202 WeakPolarHBondContact CG-O 3.31Å; K170-D202 PolarHBondContact N-O 2.96Å; R200-D202 VanDerWaalsContact C-N 3.26Å; R200-D202 VanDerWaalsContact CB-OD1 3.28Å; R200-D202 WeakPolarHBondContact CB-OD1 3.23Å; R200-D202 VanDerWaalsContact CD-OD1 3.3Å; R200-D202 WeakPolarHBondContact CD-OD1 3.4Å; R200-D202 WeakPolarHBondContact CG-OD1 3.46Å; R200-D202 PolarHBondContact O-N 3.29Å |
| 203 | A | 86 | Confident | 83.7 | Confident | 13 Ų | 13 | 65 Ų | 65 | 11% | 0.107 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 152.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | F168 R200 F205 | F168-A203 WeakPolarHBondContact O-CA 3.49Å; R200-A203 HydrophobicContact CB-CB 4.16Å; R200-A203 VanDerWaalsContact NE-CB 3.33Å; A203-F205 HydrophobicContact CB-CE2 3.89Å; A203-F205 HydrophobicContact CB-CZ 4.34Å |
| 204 | F | 89.4 | Confident | 82.4 | Confident | 51 Ų | 51 | 66.3 Ų | 66.3 | 22% | 0.224 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 146.9 | 169 | -156.1 | -83.4 | 0 | 0 | 0 | 109.5 | C167 F168 L179 I189 M206 | C167-F204 VanDerWaalsContact CA-O 3.26Å; C167-F204 WeakPolarHBondContact CA-O 3.47Å; F168-F204 HydrophobicContact CD2-CB 4.05Å; F168-F204 HydrophobicContact CE1-CB 4.46Å; F168-F204 HydrophobicContact CE1-CD1 4.24Å; F168-F204 HydrophobicContact CE2-CB 3.61Å; F168-F204 HydrophobicContact CE2-CD1 4.3Å; F168-F204 HydrophobicContact CE2-CG 4.07Å; F168-F204 HydrophobicContact CZ-CB 3.85Å; F168-F204 AromaticContact CZ-CD1 3.71Å; F168-F204 HydrophobicContact CZ-CD1 3.71Å; F168-F204 AromaticContact CZ-CG 3.96Å; F168-F204 HydrophobicContact CZ-CG 3.96Å; F168-F204 PolarHBondContact N-O 2.92Å; F168-F204 PolarHBondContact O-N 3.45Å; L179-F204 HydrophobicContact CD2-CD1 3.88Å; L179-F204 HydrophobicContact CD2-CE1 3.34Å; L179-F204 HydrophobicContact CD2-CZ 3.79Å; I189-F204 HydrophobicContact CB-CE1 4.44Å; I189-F204 HydrophobicContact CB-CZ 4.44Å; I189-F204 HydrophobicContact CD1-CZ 4.23Å; I189-F204 HydrophobicContact CG1-CE1 4.11Å; I189-F204 HydrophobicContact CG1-CZ 4.18Å; I189-F204 HydrophobicContact CG2-CE1 3.81Å; I189-F204 HydrophobicContact CG2-CZ 3.51Å; F204-M206 HydrophobicContact CD1-CG 4.21Å; F204-M206 HydrophobicContact CE1-CG 3.98Å |
| 205 | F | 92.2 | Very high | 80.9 | Confident | 13 Ų | 13 | 67.3 Ų | 67.3 | 6% | 0.057 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 139.5 | 180 | -67.1 | -96 | 0 | 0 | 0 | 110.9 | I166 C167 V190 V197 P198 R200 A203 | I166-F205 WeakPolarHBondContact O-CA 3.06Å; C167-F205 HydrophobicContact CB-CD1 3.49Å; C167-F205 VanDerWaalsContact CB-CD1 3.49Å; C167-F205 HydrophobicContact CB-CE1 3.51Å; C167-F205 HydrophobicContact CB-CG 4.18Å; C167-F205 HydrophobicContact CB-CZ 4.23Å; V190-F205 HydrophobicContact CB-CB 4.27Å; V190-F205 PolarHBondContact N-O 3.2Å; V190-F205 VanDerWaalsContact N-O 3.12Å; V197-F205 HydrophobicContact CG1-CB 4.18Å; V197-F205 HydrophobicContact CG1-CD1 3.82Å; V197-F205 HydrophobicContact CG1-CD2 3.42Å; V197-F205 VanDerWaalsContact CG1-CD2 3.42Å; V197-F205 HydrophobicContact CG1-CE1 3.96Å; V197-F205 HydrophobicContact CG1-CE2 3.56Å; V197-F205 HydrophobicContact CG1-CG 3.55Å; V197-F205 HydrophobicContact CG1-CZ 3.81Å; V197-F205 HydrophobicContact CG2-CB 4.33Å; V197-F205 HydrophobicContact CG2-CD1 4.43Å; V197-F205 HydrophobicContact CG2-CG 4.37Å; P198-F205 HydrophobicContact CG-CZ 4.49Å; R200-F205 HydrophobicContact CB-CE2 4.25Å; A203-F205 HydrophobicContact CB-CE2 3.89Å; A203-F205 HydrophobicContact CB-CZ 4.34Å |
| 206 | M | 95.3 | Very high | 79.1 | Confident | 2 Ų | 2 | 69.6 Ų | 69.6 | 1% | 0.01 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 153.7 | 165.4 | -51.8 | 172.4 | 66.6 | 0 | 0 | 108.7 | F165 I166 L179 F182 F187 E188 I189 F204 | F165-M206 CarbonylContact C-O 3.58Å; F165-M206 VanDerWaalsContact CA-O 3.29Å; F165-M206 WeakPolarHBondContact CA-O 3.46Å; I166-M206 HydrophobicContact CD1-CB 3.94Å; I166-M206 HydrophobicContact CD1-CG 4.3Å; I166-M206 HydrophobicContact CD1-SD 3.97Å; I166-M206 HydrophobicContact CG1-CB 3.69Å; I166-M206 HydrophobicContact CG1-CG 4.35Å; I166-M206 PolarHBondContact N-O 3.06Å; I166-M206 PolarHBondContact O-N 2.93Å; I166-M206 VanDerWaalsContact O-N 3.1Å; L179-M206 HydrophobicContact CD2-CE 4.42Å; L179-M206 HydrophobicContact CD2-CG 4.3Å; L179-M206 HydrophobicContact CD2-SD 3.59Å; L179-M206 VanDerWaalsContact CD2-SD 3.59Å; F182-M206 HydrophobicContact CB-CE 3.97Å; F182-M206 HydrophobicContact CB-SD 3.98Å; F187-M206 HydrophobicContact CB-CB 4Å; F187-M206 HydrophobicContact CB-CE 3.87Å; F187-M206 HydrophobicContact CD1-CB 4.3Å; F187-M206 VanDerWaalsContact O-CE 3.23Å; F187-M206 WeakPolarHBondContact O-CE 3.44Å; E188-M206 CarbonylContact O-C 3.43Å; E188-M206 WeakPolarHBondContact O-CA 3.45Å; E188-M206 VanDerWaalsContact O-CB 3.25Å; E188-M206 WeakPolarHBondContact O-CB 3.4Å; I189-M206 HydrophobicContact CG1-CE 4.4Å; I189-M206 HydrophobicContact CG1-CG 4.48Å; F204-M206 HydrophobicContact CD1-CG 4.21Å; F204-M206 HydrophobicContact CE1-CG 3.98Å |
| 207 | A | 95.6 | Very high | 77.6 | Confident | 16 Ų | 16 | 74 Ų | 74 | 13% | 0.132 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 142.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V164 F165 F187 E188 V190 | V164-A207 CarbonylContact O-C 3.49Å; V164-A207 WeakPolarHBondContact O-CA 3.29Å; F165-A207 HydrophobicContact CD1-CB 3.69Å; F165-A207 HydrophobicContact CE1-CB 3.57Å; F165-A207 HydrophobicContact CG-CB 4.49Å; F165-A207 HydrophobicContact CZ-CB 4.29Å; F187-A207 CarbonylContact C-O 3.58Å; F187-A207 VanDerWaalsContact CA-O 3.3Å; F187-A207 WeakPolarHBondContact CA-O 3.18Å; E188-A207 PolarHBondContact N-O 3.23Å; E188-A207 PolarHBondContact O-N 3.31Å; V190-A207 HydrophobicContact CG2-CB 3.47Å; V190-A207 VanDerWaalsContact CG2-CB 3.47Å |
| 208 | Y | 95.8 | Very high | 75.7 | Confident | 66 Ų | 66 | 86.4 Ų | 86.4 | 26% | 0.259 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 128.6 | 166 | 176.5 | -102.5 | 0 | 0 | 0 | 107.2 | L152 H163 V164 F187 I210 | L152-Y208 HydrophobicContact CD2-CD1 4.16Å; H163-Y208 CarbonylContact C-O 3.53Å; H163-Y208 WeakPolarHBondContact CA-O 3.26Å; V164-Y208 PolarHBondContact N-O 3.06Å; V164-Y208 PolarHBondContact O-N 3.26Å; F187-Y208 HydrophobicContact CD2-CD2 4.49Å; F187-Y208 HydrophobicContact CD2-CG 4.49Å; F187-Y208 VanDerWaalsContact CE1-CB 3.46Å; F187-Y208 HydrophobicContact CE2-CD2 4.46Å; F187-Y208 HydrophobicContact CE2-CG 4.17Å; F187-Y208 VanDerWaalsContact CZ-CB 3.48Å; F187-Y208 HydrophobicContact CZ-CG 4.24Å; Y208-I210 HydrophobicContact CD1-CG1 4.18Å; Y208-I210 HydrophobicContact CE1-CG1 3.98Å |
| 209 | S | 93.6 | Very high | 75.7 | Confident | 68 Ų | 68 | 90.5 Ų | 90.5 | 48% | 0.476 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 131 | 173.8 | -63.7 | 0 | 0 | 0 | 0 | 108.1 | H163 E211 | H163-S209 PolarHBondContact CE1-OG 3.39Å; H163-S209 PolarHBondContact ND1-OG 2.95Å; S209-E211 PolarHBondContact O-N 3.1Å |
| 210 | I | 91.6 | Very high | 75.7 | Confident | 18 Ų | 18 | 89.4 Ų | 89.4 | 9% | 0.092 | 47% | 0.473 | C | S | . | . | trans | -80.6 | 115.5 | 174.1 | -69.2 | 164.8 | 0 | 0 | 0 | 106.5 | A155 E156 A161 D162 V164 Y208 R212 | A155-I210 HydrophobicContact CB-CD1 4.38Å; E156-I210 HydrophobicContact CB-CD1 4.22Å; E156-I210 HydrophobicContact CB-CG2 4.2Å; E156-I210 HydrophobicContact CG-CG2 3.8Å; A161-I210 HydrophobicContact CB-CD1 3.83Å; A161-I210 WeakPolarHBondContact O-CD1 3.28Å; D162-I210 PolarHBondContact O-N 2.91Å; V164-I210 HydrophobicContact CG2-CD1 3.98Å; Y208-I210 HydrophobicContact CD1-CG1 4.18Å; Y208-I210 HydrophobicContact CE1-CG1 3.98Å; I210-R212 PolarHBondContact O-N 3.33Å | ||
| 211 | E | 85.8 | Confident | 75.7 | Confident | 170 Ų | 170 | 92.6 Ų | 92.6 | 79% | 0.794 | 49% | 0.493 | S | S | * | . | trans | -68.7 | 117 | 172.5 | -66.3 | -176.6 | 167.2 | 0 | 0 | 107.6 | S209 | S209-E211 PolarHBondContact O-N 3.1Š| ||
| 212 | R | 75.1 | Confident | 75.5 | Confident | 144 Ų | 144 | 91.6 Ų | 91.6 | 54% | 0.543 | 48% | 0.48 | S | S | . | . | trans | -96.3 | 125.8 | 165.1 | -63.2 | -170.5 | -171.4 | 136.3 | 7.2 | 106.9 | Q160 D162 I210 S214 | Q160-R212 PolarHBondContact O-NH2 3.36Å; D162-R212 IonicContact OD1-CZ 3.58Å; D162-R212 VanDerWaalsContact OD1-CZ 3.3Å; D162-R212 IonicContact OD1-NH1 2.83Å; D162-R212 PolarHBondContact OD1-NH1 3.01Å; D162-R212 IonicContact OD1-NH2 3.53Å; D162-R212 PolarHBondContact OD1-NH2 3.19Å; I210-R212 PolarHBondContact O-N 3.33Å; R212-S214 VanDerWaalsContact C-N 3.27Å; R212-S214 PolarHBondContact O-N 2.97Å | ||
| 213 | D | 61.1 | Low | 75 | Confident | 167 Ų | 167 | 94.1 Ų | 94.1 | 89% | 0.893 | 49% | 0.493 | S | S | * | . | trans | -59.7 | 95.1 | 164.4 | -74.2 | -38.1 | 0 | 0 | 0 | 108.3 | S215 | D213-S215 VanDerWaalsContact C-N 3.31Å; D213-S215 PolarHBondContact O-N 3.42Å | ||
| 214 | S | 50.4 | Low | 74.3 | Confident | 101 Ų | 101 | 99.5 Ų | 99.5 | 71% | 0.706 | 52% | 0.519 | S | S | * | . | trans | -68.6 | 97.8 | 162 | 54.9 | 0 | 0 | 0 | 0 | 106.5 | R212 D216 | R212-S214 VanDerWaalsContact C-N 3.27Å; R212-S214 PolarHBondContact O-N 2.97Å; S214-D216 PolarHBondContact O-N 3.35Å | ||
| 215 | S | 51 | Low | 73.2 | Confident | 97 Ų | 97 | 103 Ų | 103 | 68% | 0.678 | 54% | 0.54 | S | S | * | . | trans | -64.4 | 79.2 | 163.5 | 58.2 | 0 | 0 | 0 | 0 | 108.4 | D213 D217 | D213-S215 VanDerWaalsContact C-N 3.31Å; D213-S215 PolarHBondContact O-N 3.42Å; S215-D217 PolarHBondContact O-N 3.37Å | ||
| 216 | D | 46.7 | Very low | 71.8 | Confident | 160 Ų | 160 | 109.9 Ų | 109.9 | 86% | 0.856 | 58% | 0.577 | S | S | * | * | trans | -77.1 | 77.4 | 168.8 | -137.1 | 21.6 | 0 | 0 | 0 | 106 | S214 E218 | S214-D216 PolarHBondContact O-N 3.35Å; D216-E218 PolarHBondContact O-N 3.04Å | ||
| 217 | D | 49.8 | Very low | 69.8 | Low | 146 Ų | 146 | 118.9 Ų | 118.9 | 78% | 0.781 | 62% | 0.624 | S | S | * | * | trans | -74.8 | 100.4 | 176 | -79.1 | -55.3 | 0 | 0 | 0 | 109.9 | S215 | S215-D217 PolarHBondContact O-N 3.37Š| ||
| 218 | E | 41.3 | Very low | 67.5 | Low | 274 Ų | 274 | 128.3 Ų | 128.3 | 100% | 1.28 | 67% | 0.669 | S | S | * | * | trans | -136.2 | 0 | 152.1 | -75.5 | -154.6 | 114.3 | 0 | 0 | 111.7 | D216 | D216-E218 PolarHBondContact O-N 3.04Š|
Retrieved 218 of 218 residues in 55.2 ms
(Link to these results)