| 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 | 36.4 | Very low | 30.2 | Very low | 234 Ų | 234 | 170.4 Ų | 170.4 | 100% | 1.153 | 87% | 0.87 | S | S | * | * | 0 | 114.3 | 0 | -78.3 | 173 | 174 | 0 | 0 | 106.5 | |||||
| 2 | D | 32.2 | Very low | 29.8 | Very low | 165 Ų | 165 | 166.3 Ų | 166.3 | 88% | 0.882 | 87% | 0.869 | S | S | * | * | trans | 164.8 | 95.5 | 142.1 | -83.1 | -20.1 | 0 | 0 | 0 | 108.6 | ||||
| 3 | N | 27.7 | Very low | 29.4 | Very low | 172 Ų | 172 | 160.7 Ų | 160.7 | 92% | 0.92 | 86% | 0.861 | S | S | * | * | trans | -88.4 | 118.9 | 178.5 | -99.7 | -22.9 | 0 | 0 | 0 | 109.7 | K5 | N3-K5 PolarHBondContact O-N 3.49Š| ||
| 4 | R | 36.6 | Very low | 29.2 | Very low | 226 Ų | 226 | 154.7 Ų | 154.7 | 85% | 0.853 | 86% | 0.856 | S | S | * | * | trans | -47 | 124 | 160.2 | -108 | 172.2 | 173 | 170.8 | 0 | 110.9 | ||||
| 5 | K | 32.4 | Very low | 28.8 | Very low | 205 Ų | 205 | 151.1 Ų | 151.1 | 89% | 0.891 | 85% | 0.846 | S | S | * | * | trans | -121.1 | 112 | 155.7 | -109.5 | 177 | 177.5 | 178 | 0 | 108.6 | N3 | N3-K5 PolarHBondContact O-N 3.49Š| ||
| 6 | R | 31.1 | Very low | 28.8 | Very low | 229 Ų | 229 | 150.4 Ų | 150.4 | 86% | 0.864 | 84% | 0.839 | S | S | * | * | trans | -72.3 | 135.5 | 164.1 | -74.7 | 177.9 | 178.5 | 167.2 | -1.3 | 108.1 | ||||
| 7 | Q | 26.7 | Very low | 28.5 | Very low | 187 Ų | 187 | 147.2 Ų | 147.2 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | trans | -116.5 | 151.1 | 162.1 | -94.6 | -173.7 | -28.3 | 0 | 0 | 110.1 | ||||
| 8 | P | 25.7 | Very low | 28.4 | Very low | 113 Ų | 113 | 148.9 Ų | 148.9 | 73% | 0.734 | 82% | 0.821 | S | S | * | * | trans | -89.6 | 157.4 | -163.6 | 35.5 | -30.5 | 0 | 0 | 0 | 112.7 | S10 | P8-S10 PolarHBondContact O-N 2.77Š| ||
| 9 | S | 30.2 | Very low | 28.3 | Very low | 125 Ų | 125 | 150.7 Ų | 150.7 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | trans | -54.2 | 114.6 | 173.4 | 48.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 10 | S | 25.3 | Very low | 28.3 | Very low | 102 Ų | 102 | 149.5 Ų | 149.5 | 71% | 0.713 | 82% | 0.818 | S | S | * | * | trans | -108.2 | 112.1 | 166.5 | 62 | 0 | 0 | 0 | 0 | 110.3 | P8 | P8-S10 PolarHBondContact O-N 2.77Š| ||
| 11 | S | 28.5 | Very low | 28.4 | Very low | 116 Ų | 116 | 144.5 Ų | 144.5 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | 23.2 | 100 | 141.5 | 46.1 | 0 | 0 | 0 | 0 | 116.6 | A13 | S11-A13 PolarHBondContact O-N 2.74Š| ||
| 12 | S | 25.5 | Very low | 28.3 | Very low | 122 Ų | 122 | 138.2 Ų | 138.2 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | -65.9 | 114.2 | 171.3 | 56.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 13 | A | 24.6 | Very low | 28.7 | Very low | 93 Ų | 93 | 132.7 Ų | 132.7 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | trans | -49.3 | 140.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S11 S15 | S11-A13 PolarHBondContact O-N 2.74Å; A13-S15 PolarHBondContact O-N 3.18Å | ||
| 14 | G | 25.7 | Very low | 29.8 | Very low | 77 Ų | 77 | 127.7 Ų | 127.7 | 79% | 0.794 | 72% | 0.72 | S | S | * | * | trans | -55.5 | 109.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L16 | G14-L16 PolarHBondContact O-N 3.29Å; G14-L16 VanDerWaalsContact O-N 3.11Å | ||
| 15 | S | 23.4 | Very low | 31 | Very low | 101 Ų | 101 | 122.7 Ų | 122.7 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | trans | -65 | 107.2 | 161.6 | 175.2 | 0 | 0 | 0 | 0 | 107.4 | A13 V17 | A13-S15 PolarHBondContact O-N 3.18Å; S15-V17 PolarHBondContact O-N 3.16Å | ||
| 16 | L | 28.8 | Very low | 33 | Very low | 140 Ų | 140 | 114.9 Ų | 114.9 | 73% | 0.733 | 67% | 0.668 | S | S | * | * | trans | -64.7 | 82.6 | 166.5 | -119.9 | 125.3 | 0 | 0 | 0 | 107.5 | G14 F18 | G14-L16 PolarHBondContact O-N 3.29Å; G14-L16 VanDerWaalsContact O-N 3.11Å; L16-F18 HydrophobicContact CD2-CD2 4.47Å; L16-F18 HydrophobicContact CD2-CE2 4.14Å; L16-F18 PolarHBondContact O-N 3.23Å; L16-F18 VanDerWaalsContact O-N 3.07Å | ||
| 17 | V | 23.9 | Very low | 35.5 | Very low | 95 Ų | 95 | 104.2 Ų | 104.2 | 58% | 0.576 | 63% | 0.628 | S | S | * | * | trans | -68.8 | 105.7 | 167.3 | -178.8 | 0 | 0 | 0 | 0 | 105.5 | S15 W19 | S15-V17 PolarHBondContact O-N 3.16Å; V17-W19 PolarHBondContact O-N 3.32Å | ||
| 18 | F | 25.7 | Very low | 38.6 | Very low | 178 Ų | 178 | 95.5 Ų | 95.5 | 78% | 0.781 | 59% | 0.588 | S | S | * | * | trans | -63.4 | 104.4 | 164.4 | -95.3 | -97.2 | 0 | 0 | 0 | 107.1 | L16 S20 | L16-F18 HydrophobicContact CD2-CD2 4.47Å; L16-F18 HydrophobicContact CD2-CE2 4.14Å; L16-F18 PolarHBondContact O-N 3.23Å; L16-F18 VanDerWaalsContact O-N 3.07Å; F18-S20 VanDerWaalsContact C-N 3.32Å; F18-S20 PolarHBondContact O-N 3.49Å | ||
| 19 | W | 27.1 | Very low | 41.9 | Very low | 184 Ų | 184 | 90.7 Ų | 90.7 | 70% | 0.697 | 56% | 0.556 | S | S | * | * | trans | -71.9 | 98.2 | 165.6 | -74 | 49.5 | 0 | 0 | 0 | 106.1 | V17 S21 | V17-W19 PolarHBondContact O-N 3.32Å; W19-S21 PolarHBondContact O-N 3.12Å | ||
| 20 | S | 27.8 | Very low | 45.1 | Very low | 125 Ų | 125 | 84.8 Ų | 84.8 | 87% | 0.874 | 51% | 0.514 | S | S | * | . | trans | -69.4 | 64.8 | 161.4 | 41.6 | 0 | 0 | 0 | 0 | 108.7 | F18 | F18-S20 VanDerWaalsContact C-N 3.32Å; F18-S20 PolarHBondContact O-N 3.49Å | ||
| 21 | S | 30.5 | Very low | 48.6 | Very low | 45 Ų | 45 | 80 Ų | 80 | 32% | 0.315 | 48% | 0.48 | S | S | . | . | trans | -81.2 | 119.5 | 169.2 | 57.5 | 0 | 0 | 0 | 0 | 107.8 | W19 L23 | W19-S21 PolarHBondContact O-N 3.12Å; S21-L23 PolarHBondContact O-N 2.65Å; S21-L23 WeakPolarHBondContact OG-CD1 3.41Å | ||
| 22 | S | 34.9 | Very low | 51.9 | Low | 103 Ų | 103 | 74.4 Ų | 74.4 | 72% | 0.72 | 44% | 0.442 | S | S | * | . | trans | -62.6 | 64.1 | 167.4 | 53.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 23 | L | 41 | Very low | 55.3 | Low | 49 Ų | 49 | 68.7 Ų | 68.7 | 26% | 0.257 | 40% | 0.401 | S | S | . | . | trans | -68.7 | 141.4 | 167.5 | -82.2 | 156 | 0 | 0 | 0 | 108.6 | S21 R25 P64 R297 | S21-L23 PolarHBondContact O-N 2.65Å; S21-L23 WeakPolarHBondContact OG-CD1 3.41Å; L23-R25 PolarHBondContact O-N 3.14Å; L23-P64 HydrophobicContact CD1-CB 3.81Å; L23-P64 HydrophobicContact CD2-CB 4Å; L23-P64 HydrophobicContact CG-CB 4.04Å; L23-R297 VanDerWaalsContact CD2-CZ 3.46Å | ||
| 24 | P | 50.3 | Low | 58.6 | Low | 67 Ų | 67 | 64.7 Ų | 64.7 | 44% | 0.435 | 37% | 0.367 | S | S | . | . | trans | -53.6 | 125.6 | 149.8 | -5.1 | 17.6 | 0 | 0 | 0 | 106.7 | Q26 | P24-Q26 PolarHBondContact O-N 3.45Š| ||
| 25 | R | 61.1 | Low | 61.8 | Low | 121 Ų | 121 | 61.1 Ų | 61.1 | 46% | 0.457 | 33% | 0.33 | S | S | . | . | trans | -56.2 | 102.1 | -172.5 | -72.6 | 178.1 | 175.4 | 170 | -0.9 | 109.8 | L23 N148 | L23-R25 PolarHBondContact O-N 3.14Å; R25-N148 PolarHBondContact NH1-OD1 3.23Å | ||
| 26 | Q | 74.4 | Confident | 64.8 | Low | 41 Ų | 41 | 57.3 Ų | 57.3 | 19% | 0.192 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 134.4 | 173.8 | -74.9 | -179 | -29.6 | 0 | 0 | 109.7 | P24 C65 R66 P68 | P24-Q26 PolarHBondContact O-N 3.45Å; Q26-C65 PolarHBondContact OE1-O 2.98Å; Q26-R66 PolarHBondContact NE2-O 2.82Å; Q26-R66 PolarHBondContact OE1-O 2.63Å; Q26-P68 HydrophobicContact CB-CG 4.28Å; Q26-P68 WeakPolarHBondContact O-CG 3.31Å |
| 27 | A | 84.7 | Confident | 67.3 | Low | 4 Ų | 4 | 52.2 Ų | 52.2 | 3% | 0.033 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 146.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111 | S150 E152 | A27-S150 WeakPolarHBondContact CA-O 3.47Å; A27-E152 HydrophobicContact CB-CB 4.43Å; A27-E152 HydrophobicContact CB-CG 3.77Å |
| 28 | A | 91.8 | Very high | 69.9 | Low | 4 Ų | 4 | 52.5 Ų | 52.5 | 3% | 0.033 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 147.9 | 165 | 0 | 0 | 0 | 0 | 0 | 109.7 | L69 F85 F132 S150 V151 E152 | A28-L69 HydrophobicContact CB-CB 3.86Å; A28-L69 HydrophobicContact CB-CD1 4.29Å; A28-F85 HydrophobicContact CB-CD1 4.37Å; A28-F85 HydrophobicContact CB-CE1 3.86Å; A28-F132 HydrophobicContact CB-CD2 4.06Å; A28-F132 HydrophobicContact CB-CE2 3.52Å; A28-F132 HydrophobicContact CB-CZ 4.3Å; A28-S150 PolarHBondContact N-O 3.24Å; A28-V151 HydrophobicContact CB-CG2 4.37Å; A28-V151 WeakPolarHBondContact O-CA 3.4Å; A28-E152 PolarHBondContact O-N 3.15Å |
| 29 | R | 94.9 | Very high | 72.7 | Confident | 13 Ų | 13 | 44.6 Ų | 44.6 | 5% | 0.049 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 135.4 | -177.9 | -62.8 | -68.5 | 176.4 | -178.7 | -14.8 | 110.4 | I67 L69 L70 S71 E152 W242 | R29-I67 HydrophobicContact CB-CG2 4.16Å; R29-I67 HydrophobicContact CG-CG2 3.64Å; R29-L69 PolarHBondContact N-O 3.28Å; R29-L70 HydrophobicContact CB-CD1 3.84Å; R29-L70 CarbonylContact O-C 3.59Å; R29-L70 VanDerWaalsContact O-CA 3.32Å; R29-L70 WeakPolarHBondContact O-CA 3.36Å; R29-S71 PolarHBondContact O-N 3.38Å; R29-E152 IonicContact CZ-OE2 3.47Å; R29-E152 VanDerWaalsContact NH1-CD 3.35Å; R29-E152 IonicContact NH1-OE2 3.64Å; R29-E152 PolarHBondContact NH1-OE2 3.36Å; R29-E152 IonicContact NH2-OE1 3.83Å; R29-E152 PolarHBondContact NH2-OE1 3.23Å; R29-E152 IonicContact NH2-OE2 2.85Å; R29-E152 PolarHBondContact NH2-OE2 3.21Å; R29-W242 HydrophobicContact CB-CE3 4.29Å; R29-W242 HydrophobicContact CB-CZ3 4.45Å; R29-W242 HydrophobicContact CG-CD2 4.24Å; R29-W242 HydrophobicContact CG-CE3 4.14Å; R29-W242 HydrophobicContact CG-CG 4.43Å |
| 30 | V | 97.9 | Very high | 75.7 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 127.3 | 168.5 | 178.7 | 0 | 0 | 0 | 0 | 108.1 | I32 S71 Y73 F85 V151 E152 V153 T154 | V30-I32 HydrophobicContact CG1-CD1 4.38Å; V30-I32 HydrophobicContact CG1-CG1 3.88Å; V30-S71 WeakPolarHBondContact CA-O 3.29Å; V30-Y73 HydrophobicContact CG1-CD2 4.08Å; V30-Y73 HydrophobicContact CG1-CE2 4.39Å; V30-F85 HydrophobicContact CG2-CE1 3.85Å; V30-F85 HydrophobicContact CG2-CE2 4.47Å; V30-F85 HydrophobicContact CG2-CZ 3.46Å; V30-F85 VanDerWaalsContact CG2-CZ 3.46Å; V30-V151 HydrophobicContact CB-CG1 4.41Å; V30-V151 HydrophobicContact CG2-CG1 3.54Å; V30-E152 PolarHBondContact N-O 2.93Å; V30-V153 HydrophobicContact CB-CB 4.42Å; V30-V153 HydrophobicContact CB-CG1 4.35Å; V30-V153 HydrophobicContact CB-CG2 4.02Å; V30-V153 HydrophobicContact CG1-CG1 4.31Å; V30-V153 HydrophobicContact CG2-CG2 4.36Å; V30-V153 WeakPolarHBondContact O-CA 3.38Å; V30-T154 PolarHBondContact O-N 3.21Å |
| 31 | L | 98.4 | Very high | 78.6 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 122.9 | 170 | -176.7 | 62.2 | 0 | 0 | 0 | 109.1 | V33 L51 S71 L72 Y73 T154 V156 W242 | L31-V33 HydrophobicContact CD2-CG2 4.12Å; L31-V33 HydrophobicContact CG-CG2 3.93Å; L31-L51 HydrophobicContact CD2-CD1 3.99Å; L31-L51 HydrophobicContact CD2-CD2 3.67Å; L31-L51 HydrophobicContact CD2-CG 4.41Å; L31-S71 PolarHBondContact N-O 3.02Å; L31-L72 HydrophobicContact CB-CG 4.35Å; L31-L72 HydrophobicContact CD2-CD1 3.96Å; L31-L72 HydrophobicContact CD2-CG 4.42Å; L31-L72 CarbonylContact O-C 3.52Å; L31-L72 WeakPolarHBondContact O-CA 3.26Å; L31-Y73 PolarHBondContact O-N 3.04Å; L31-T154 CarbonylContact C-O 3.54Å; L31-T154 WeakPolarHBondContact CA-O 3.41Å; L31-T154 HydrophobicContact CD1-CG2 4.26Å; L31-V156 HydrophobicContact CD1-CG2 3.64Å; L31-W242 HydrophobicContact CB-CH2 4.12Å; L31-W242 HydrophobicContact CD1-CH2 4.13Å; L31-W242 HydrophobicContact CD1-CZ2 4.36Å; L31-W242 HydrophobicContact CD2-CH2 4.45Å; L31-W242 HydrophobicContact CG-CH2 4.47Å |
| 32 | I | 98.1 | Very high | 81.4 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 120.4 | 173.7 | -53.3 | -179.9 | 0 | 0 | 0 | 107.3 | V30 Y73 I75 L121 A124 V125 V153 T154 V155 V156 | V30-I32 HydrophobicContact CG1-CD1 4.38Å; V30-I32 HydrophobicContact CG1-CG1 3.88Å; I32-Y73 CarbonylContact C-O 3.52Å; I32-Y73 WeakPolarHBondContact CA-O 3.11Å; I32-I75 HydrophobicContact CG2-CD1 3.73Å; I32-I75 HydrophobicContact CG2-CG1 4.27Å; I32-L121 HydrophobicContact CG2-CD2 3.88Å; I32-A124 HydrophobicContact CD1-CB 3.97Å; I32-A124 HydrophobicContact CG2-CB 3.92Å; I32-V125 HydrophobicContact CD1-CB 4.35Å; I32-V125 HydrophobicContact CD1-CG2 3.61Å; I32-V153 HydrophobicContact CD1-CG1 3.69Å; I32-V153 HydrophobicContact CG1-CG1 4.12Å; I32-T154 PolarHBondContact N-O 2.91Å; I32-V155 HydrophobicContact CB-CG2 4.27Å; I32-V155 HydrophobicContact CD1-CG2 4.41Å; I32-V155 CarbonylContact O-C 3.58Å; I32-V155 VanDerWaalsContact O-CA 3.31Å; I32-V155 WeakPolarHBondContact O-CA 3.46Å; I32-V156 PolarHBondContact O-N 2.93Å |
| 33 | V | 96.9 | Very high | 84.1 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 119.2 | -177.8 | -175.4 | 0 | 0 | 0 | 0 | 109.5 | L31 A35 W40 L47 Y73 A74 I75 L102 | L31-V33 HydrophobicContact CD2-CG2 4.12Å; L31-V33 HydrophobicContact CG-CG2 3.93Å; V33-A35 PolarHBondContact O-N 3.21Å; V33-W40 HydrophobicContact CG1-CE3 4.21Å; V33-W40 HydrophobicContact CG1-CH2 3.83Å; V33-W40 HydrophobicContact CG1-CZ3 3.44Å; V33-W40 VanDerWaalsContact CG1-CZ3 3.44Å; V33-L47 HydrophobicContact CB-CD2 4.27Å; V33-L47 HydrophobicContact CG1-CD2 3.46Å; V33-L47 VanDerWaalsContact CG1-CD2 3.46Å; V33-L47 HydrophobicContact CG2-CD2 3.74Å; V33-Y73 PolarHBondContact N-O 3.28Å; V33-A74 CarbonylContact O-C 3.5Å; V33-A74 WeakPolarHBondContact O-CA 3.13Å; V33-I75 PolarHBondContact O-N 3.01Å; V33-L102 HydrophobicContact CB-CD1 4.12Å; V33-L102 HydrophobicContact CG1-CD1 4.08Å; V33-L102 HydrophobicContact CG2-CD1 4.36Å; V33-L102 HydrophobicContact CG2-CD2 4.13Å |
| 34 | E | 93.4 | Very high | 86.7 | Confident | 10 Ų | 10 | 29.8 Ų | 29.8 | 5% | 0.047 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 93.2 | 169.6 | -170.5 | -174.8 | -130.8 | 0 | 0 | 109.8 | L36 V156 T157 Q159 | E34-L36 VanDerWaalsContact C-N 3.26Å; E34-L36 HydrophobicContact CG-CB 4.13Å; E34-L36 HydrophobicContact CG-CD1 3.69Å; E34-L36 HydrophobicContact CG-CG 3.75Å; E34-L36 PolarHBondContact O-N 3.04Å; E34-L36 WeakPolarHBondContact OE1-CD1 3.3Å; E34-V156 WeakPolarHBondContact CB-O 3.32Å; E34-V156 PolarHBondContact N-O 2.98Å; E34-T157 WeakPolarHBondContact OE2-CB 3.27Å; E34-T157 PolarHBondContact OE2-OG1 3.45Å; E34-Q159 WeakPolarHBondContact OE2-CG 3.32Å |
| 35 | A | 91.8 | Very high | 88.8 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | trans | -91.1 | 51.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | V33 W40 I75 I105 | V33-A35 PolarHBondContact O-N 3.21Å; A35-W40 HydrophobicContact CB-CD2 3.55Å; A35-W40 HydrophobicContact CB-CE3 3.97Å; A35-W40 HydrophobicContact CB-CG 3.81Å; A35-W40 HydrophobicContact CB-CZ2 4.21Å; A35-W40 HydrophobicContact CB-CZ3 4.47Å; A35-I75 CarbonylContact C-O 3.55Å; A35-I75 WeakPolarHBondContact CA-O 3.22Å; A35-I75 PolarHBondContact N-O 3.02Å; A35-I105 HydrophobicContact CB-CB 4.48Å; A35-I105 HydrophobicContact CB-CD1 4.03Å; A35-I105 HydrophobicContact CB-CG2 3.86Å | ||
| 36 | L | 87.2 | Confident | 90.5 | Very high | 21 Ų | 21 | 24.6 Ų | 24.6 | 11% | 0.11 | 15% | 0.151 | C | C | . | . | trans | -96.6 | 135.2 | 179.6 | -68.6 | 178.7 | 0 | 0 | 0 | 112.1 | E34 G39 W40 S76 | E34-L36 VanDerWaalsContact C-N 3.26Å; E34-L36 HydrophobicContact CG-CB 4.13Å; E34-L36 HydrophobicContact CG-CD1 3.69Å; E34-L36 HydrophobicContact CG-CG 3.75Å; E34-L36 PolarHBondContact O-N 3.04Å; E34-L36 WeakPolarHBondContact OE1-CD1 3.3Å; L36-G39 PolarHBondContact O-N 3.43Å; L36-W40 PolarHBondContact O-N 3.42Å; L36-W40 VanDerWaalsContact O-N 3.11Å; L36-S76 WeakPolarHBondContact CD2-O 3.2Å | ||
| 37 | P | 82.3 | Confident | 91.6 | Very high | 34 Ų | 34 | 22.7 Ų | 22.7 | 22% | 0.221 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 152.4 | 170.3 | -22.2 | 33.2 | 0 | 0 | 0 | 113.1 | G107 S109 | P37-G107 VanDerWaalsContact CB-O 3.26Å; P37-G107 WeakPolarHBondContact CB-O 3.05Å; P37-G107 VanDerWaalsContact CG-O 3.3Å; P37-G107 WeakPolarHBondContact CG-O 3.44Å; P37-S109 WeakPolarHBondContact CG-OG 3.26Å |
| 38 | P | 77.9 | Confident | 92.2 | Very high | 100 Ų | 100 | 22.5 Ų | 22.5 | 65% | 0.649 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -83.3 | -16.7 | -5.2 | 32.9 | -34.5 | 0 | 0 | 0 | 113.7 | W40 S41 | P38-W40 VanDerWaalsContact C-N 3.26Å; P38-W40 PolarHBondContact O-N 3.47Å; P38-S41 PolarHBondContact O-N 2.93Å; P38-S41 VanDerWaalsContact O-N 3.14Å |
| 39 | G | 83.6 | Confident | 92.5 | Very high | 12 Ų | 12 | 25.6 Ų | 25.6 | 12% | 0.124 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.6 | -27.5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L36 S41 D42 T43 S158 | L36-G39 PolarHBondContact O-N 3.43Å; G39-S41 VanDerWaalsContact C-N 3.34Å; G39-S41 PolarHBondContact O-N 2.86Å; G39-D42 PolarHBondContact O-N 3.24Å; G39-T43 PolarHBondContact O-N 3.28Å; G39-T43 PolarHBondContact O-OG1 3.45Å; G39-S158 PolarHBondContact O-OG 3.14Å |
| 40 | W | 90.4 | Very high | 92.7 | Very high | 3 Ų | 3 | 25 Ų | 25 | 1% | 0.011 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.5 | -39.7 | 175.4 | -176.2 | -123.1 | 0 | 0 | 0 | 113.2 | V33 A35 L36 P38 D42 T43 C44 L47 L102 I105 | V33-W40 HydrophobicContact CG1-CE3 4.21Å; V33-W40 HydrophobicContact CG1-CH2 3.83Å; V33-W40 HydrophobicContact CG1-CZ3 3.44Å; V33-W40 VanDerWaalsContact CG1-CZ3 3.44Å; A35-W40 HydrophobicContact CB-CD2 3.55Å; A35-W40 HydrophobicContact CB-CE3 3.97Å; A35-W40 HydrophobicContact CB-CG 3.81Å; A35-W40 HydrophobicContact CB-CZ2 4.21Å; A35-W40 HydrophobicContact CB-CZ3 4.47Å; L36-W40 PolarHBondContact O-N 3.42Å; L36-W40 VanDerWaalsContact O-N 3.11Å; P38-W40 VanDerWaalsContact C-N 3.26Å; P38-W40 PolarHBondContact O-N 3.47Å; W40-D42 PolarHBondContact O-N 2.71Å; W40-T43 PolarHBondContact O-N 2.99Å; W40-C44 HydrophobicContact CD2-CB 3.88Å; W40-C44 HydrophobicContact CE3-CB 4.24Å; W40-C44 HydrophobicContact CG-CB 4.45Å; W40-C44 HydrophobicContact CH2-CB 4.02Å; W40-C44 HydrophobicContact CZ2-CB 3.66Å; W40-C44 WeakPolarHBondContact CZ2-SG 3.39Å; W40-C44 HydrophobicContact CZ3-CB 4.29Å; W40-C44 WeakPolarHBondContact O-CB 3.48Å; W40-C44 PolarHBondContact O-N 3.05Å; W40-L47 HydrophobicContact CH2-CD2 4.13Å; W40-L47 HydrophobicContact CZ3-CD2 3.9Å; W40-L102 HydrophobicContact CH2-CD1 3.79Å; W40-L102 HydrophobicContact CH2-CD2 4.14Å; W40-L102 HydrophobicContact CH2-CG 3.72Å; W40-L102 HydrophobicContact CZ2-CD1 3.9Å; W40-L102 HydrophobicContact CZ2-CG 3.9Å; W40-L102 WeakPolarHBondContact CZ2-O 3.36Å; W40-I105 PolarHBondContact NE1-O 3.08Å; W40-I105 VanDerWaalsContact NE1-O 3.15Å |
| 41 | S | 88.7 | Confident | 92.7 | Very high | 55 Ų | 55 | 25.1 Ų | 25.1 | 39% | 0.385 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -58.2 | -35.1 | 179.3 | -63 | 0 | 0 | 0 | 0 | 112.5 | P38 G39 G107 | P38-S41 PolarHBondContact O-N 2.93Å; P38-S41 VanDerWaalsContact O-N 3.14Å; G39-S41 VanDerWaalsContact C-N 3.34Å; G39-S41 PolarHBondContact O-N 2.86Å; S41-G107 VanDerWaalsContact OG-CA 3.22Å; S41-G107 WeakPolarHBondContact OG-CA 3.49Å; S41-G107 PolarHBondContact OG-O 3.03Å |
| 42 | D | 89.2 | Confident | 92.6 | Very high | 111 Ų | 111 | 26.3 Ų | 26.3 | 59% | 0.594 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -86.5 | -21.5 | -176.4 | -62 | -28 | 0 | 0 | 0 | 113.1 | G39 W40 N230 | G39-D42 PolarHBondContact O-N 3.24Å; W40-D42 PolarHBondContact O-N 2.71Å; D42-N230 PolarHBondContact O-ND2 2.85Å |
| 43 | T | 92.9 | Very high | 92.5 | Very high | 9 Ų | 9 | 30.3 Ų | 30.3 | 6% | 0.055 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -112.7 | -15.1 | -171.8 | 57.3 | 0 | 0 | 0 | 0 | 113.9 | G39 W40 S45 V46 L47 S158 I188 | G39-T43 PolarHBondContact O-N 3.28Å; G39-T43 PolarHBondContact O-OG1 3.45Å; W40-T43 PolarHBondContact O-N 2.99Å; T43-S45 PolarHBondContact O-N 3.01Å; T43-V46 PolarHBondContact O-N 3.28Å; T43-L47 PolarHBondContact O-N 3.5Å; T43-S158 VanDerWaalsContact CG2-OG 3.31Å; T43-S158 WeakPolarHBondContact CG2-OG 3.31Å; T43-S158 PolarHBondContact OG1-OG 2.91Å; T43-I188 HydrophobicContact CG2-CB 3.97Å; T43-I188 HydrophobicContact CG2-CD1 4.29Å; T43-I188 HydrophobicContact CG2-CG2 3.59Å |
| 44 | C | 95 | Very high | 92.5 | Very high | 17 Ų | 17 | 30.3 Ų | 30.3 | 12% | 0.115 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -55.6 | -52.5 | -177.1 | 174.4 | 0 | 0 | 0 | 0 | 112.5 | W40 V46 L47 C48 | W40-C44 HydrophobicContact CD2-CB 3.88Å; W40-C44 HydrophobicContact CE3-CB 4.24Å; W40-C44 HydrophobicContact CG-CB 4.45Å; W40-C44 HydrophobicContact CH2-CB 4.02Å; W40-C44 HydrophobicContact CZ2-CB 3.66Å; W40-C44 WeakPolarHBondContact CZ2-SG 3.39Å; W40-C44 HydrophobicContact CZ3-CB 4.29Å; W40-C44 WeakPolarHBondContact O-CB 3.48Å; W40-C44 PolarHBondContact O-N 3.05Å; C44-V46 PolarHBondContact O-N 3.36Å; C44-L47 PolarHBondContact O-N 3.13Å; C44-C48 WeakPolarHBondContact O-CB 3.46Å; C44-C48 PolarHBondContact O-N 3.05Å; C44-C48 PolarHBondContact O-SG 3.47Å |
| 45 | S | 95.1 | Very high | 92.6 | Very high | 64 Ų | 64 | 30 Ų | 30 | 45% | 0.448 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.1 | -45.9 | 179.7 | 53.9 | 0 | 0 | 0 | 0 | 111.5 | T43 L47 C48 D49 | T43-S45 PolarHBondContact O-N 3.01Å; S45-L47 PolarHBondContact O-N 3.4Å; S45-C48 PolarHBondContact O-N 2.92Å; S45-D49 VanDerWaalsContact O-CB 3.28Å; S45-D49 WeakPolarHBondContact O-CB 3.49Å; S45-D49 PolarHBondContact O-N 2.73Å |
| 46 | V | 96.2 | Very high | 92.7 | Very high | 16 Ų | 16 | 31.5 Ų | 31.5 | 10% | 0.097 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.8 | -47.4 | 179.2 | 168.2 | 0 | 0 | 0 | 0 | 111.7 | T43 C44 A50 N230 S231 V232 M235 | T43-V46 PolarHBondContact O-N 3.28Å; C44-V46 PolarHBondContact O-N 3.36Å; V46-A50 VanDerWaalsContact O-CB 3.23Å; V46-A50 WeakPolarHBondContact O-CB 3.43Å; V46-A50 PolarHBondContact O-N 3.44Å; V46-A50 VanDerWaalsContact O-N 3.11Å; V46-N230 WeakPolarHBondContact CB-OD1 3.25Å; V46-N230 VanDerWaalsContact CG2-OD1 3.3Å; V46-N230 WeakPolarHBondContact CG2-OD1 3.49Å; V46-S231 VanDerWaalsContact CG1-C 3.46Å; V46-V232 HydrophobicContact CG2-CG2 4.49Å; V46-M235 HydrophobicContact CG1-CB 4.41Å |
| 47 | L | 97.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.1 | -46.1 | 179.1 | 179 | 61.1 | 0 | 0 | 0 | 111.9 | V33 W40 T43 C44 S45 A50 L51 L102 V156 M235 | V33-L47 HydrophobicContact CB-CD2 4.27Å; V33-L47 HydrophobicContact CG1-CD2 3.46Å; V33-L47 VanDerWaalsContact CG1-CD2 3.46Å; V33-L47 HydrophobicContact CG2-CD2 3.74Å; W40-L47 HydrophobicContact CH2-CD2 4.13Å; W40-L47 HydrophobicContact CZ3-CD2 3.9Å; T43-L47 PolarHBondContact O-N 3.5Å; C44-L47 PolarHBondContact O-N 3.13Å; S45-L47 PolarHBondContact O-N 3.4Å; L47-A50 PolarHBondContact O-N 3.11Å; L47-L51 HydrophobicContact CD1-CD1 4.09Å; L47-L51 HydrophobicContact CD1-CG 4.19Å; L47-L51 HydrophobicContact CG-CD1 3.93Å; L47-L51 HydrophobicContact CG-CG 4.45Å; L47-L51 WeakPolarHBondContact O-CB 3.49Å; L47-L51 VanDerWaalsContact O-CG 3.28Å; L47-L51 WeakPolarHBondContact O-CG 3.42Å; L47-L51 PolarHBondContact O-N 3.41Å; L47-L102 HydrophobicContact CD2-CD2 4.22Å; L47-V156 HydrophobicContact CD1-CG1 4.4Å; L47-V156 HydrophobicContact CD1-CG2 4.48Å; L47-V156 HydrophobicContact CD2-CG1 4.14Å; L47-M235 HydrophobicContact CD1-CE 3.68Å; L47-M235 HydrophobicContact CD1-CG 3.89Å; L47-M235 HydrophobicContact CD1-SD 4.11Å |
| 48 | C | 97.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.5 | -42.8 | -177.4 | -65 | 0 | 0 | 0 | 0 | 111.6 | C44 S45 L51 D52 V99 | C44-C48 WeakPolarHBondContact O-CB 3.46Å; C44-C48 PolarHBondContact O-N 3.05Å; C44-C48 PolarHBondContact O-SG 3.47Å; S45-C48 PolarHBondContact O-N 2.92Å; C48-L51 PolarHBondContact O-N 2.99Å; C48-D52 PolarHBondContact O-N 3.13Å; C48-V99 HydrophobicContact CB-CG1 3.76Å |
| 49 | D | 98.1 | Very high | 94 | Very high | 68 Ų | 68 | 27.5 Ų | 27.5 | 36% | 0.364 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -66.6 | -40 | 178.2 | -65.2 | -9.5 | 0 | 0 | 0 | 111.2 | S45 D52 N53 R103 V232 | S45-D49 VanDerWaalsContact O-CB 3.28Å; S45-D49 WeakPolarHBondContact O-CB 3.49Å; S45-D49 PolarHBondContact O-N 2.73Å; D49-D52 PolarHBondContact O-N 3.27Å; D49-N53 VanDerWaalsContact O-CG 3.29Å; D49-N53 PolarHBondContact O-N 2.93Å; D49-N53 PolarHBondContact O-ND2 3.31Å; D49-R103 IonicContact OD1-NH2 2.84Å; D49-V232 HydrophobicContact CB-CG1 4.34Å; D49-V232 HydrophobicContact CB-CG2 4.05Å |
| 50 | A | 98.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.8 | -40.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | V46 L47 F54 V232 M235 E236 L239 | V46-A50 VanDerWaalsContact O-CB 3.23Å; V46-A50 WeakPolarHBondContact O-CB 3.43Å; V46-A50 PolarHBondContact O-N 3.44Å; V46-A50 VanDerWaalsContact O-N 3.11Å; L47-A50 PolarHBondContact O-N 3.11Å; A50-F54 WeakPolarHBondContact O-CB 3.35Å; A50-F54 PolarHBondContact O-N 3.4Å; A50-V232 HydrophobicContact CB-CG1 4.16Å; A50-M235 HydrophobicContact CB-CB 3.81Å; A50-M235 HydrophobicContact CB-CG 3.85Å; A50-E236 HydrophobicContact CB-CG 3.86Å; A50-L239 HydrophobicContact CB-CD1 4.24Å |
| 51 | L | 98.1 | Very high | 94 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.7 | -45.2 | 174.6 | -77.5 | 169.1 | 0 | 0 | 0 | 111.4 | L31 L47 C48 N53 F54 L55 V99 L102 L239 | L31-L51 HydrophobicContact CD2-CD1 3.99Å; L31-L51 HydrophobicContact CD2-CD2 3.67Å; L31-L51 HydrophobicContact CD2-CG 4.41Å; L47-L51 HydrophobicContact CD1-CD1 4.09Å; L47-L51 HydrophobicContact CD1-CG 4.19Å; L47-L51 HydrophobicContact CG-CD1 3.93Å; L47-L51 HydrophobicContact CG-CG 4.45Å; L47-L51 WeakPolarHBondContact O-CB 3.49Å; L47-L51 VanDerWaalsContact O-CG 3.28Å; L47-L51 WeakPolarHBondContact O-CG 3.42Å; L47-L51 PolarHBondContact O-N 3.41Å; C48-L51 PolarHBondContact O-N 2.99Å; L51-N53 PolarHBondContact O-N 2.87Å; L51-F54 PolarHBondContact O-N 3.43Å; L51-L55 HydrophobicContact CB-CD1 4.35Å; L51-L55 WeakPolarHBondContact O-CB 3.48Å; L51-L55 WeakPolarHBondContact O-CD1 3.35Å; L51-L55 WeakPolarHBondContact O-CG 3.28Å; L51-L55 PolarHBondContact O-N 2.87Å; L51-V99 HydrophobicContact CB-CG1 4.45Å; L51-V99 HydrophobicContact CB-CG2 3.94Å; L51-V99 HydrophobicContact CD1-CG2 4.4Å; L51-L102 HydrophobicContact CD1-CD2 3.91Å; L51-L239 HydrophobicContact CD2-CD1 3.82Å; L51-L239 HydrophobicContact CD2-CD2 4.11Å; L51-L239 HydrophobicContact CG-CD1 4.19Å |
| 52 | D | 97.1 | Very high | 93.7 | Very high | 26 Ų | 26 | 30.1 Ų | 30.1 | 14% | 0.139 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.5 | -46.2 | 178.6 | -84 | -37.6 | 0 | 0 | 0 | 111.5 | C48 D49 S56 R103 | C48-D52 PolarHBondContact O-N 3.13Å; D49-D52 PolarHBondContact O-N 3.27Å; D52-S56 VanDerWaalsContact O-CB 3.26Å; D52-S56 WeakPolarHBondContact O-CB 3.42Å; D52-S56 PolarHBondContact O-N 2.85Å; D52-S56 PolarHBondContact O-OG 2.93Å; D52-R103 IonicContact OD2-CZ 3.18Å; D52-R103 IonicContact OD2-NH1 3.89Å; D52-R103 IonicContact OD2-NH2 2.69Å; D52-R103 PolarHBondContact OD2-NH2 3.33Å |
| 53 | N | 96.1 | Very high | 93.1 | Very high | 84 Ų | 84 | 25.8 Ų | 25.8 | 45% | 0.449 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -62.9 | -47.1 | 177.2 | -70.5 | -18.2 | 0 | 0 | 0 | 111.6 | D49 L51 L57 E236 | D49-N53 VanDerWaalsContact O-CG 3.29Å; D49-N53 PolarHBondContact O-N 2.93Å; D49-N53 PolarHBondContact O-ND2 3.31Å; L51-N53 PolarHBondContact O-N 2.87Å; N53-L57 PolarHBondContact O-N 3.46Å; N53-E236 HydrophobicContact CB-CG 4.38Å; N53-E236 VanDerWaalsContact CB-OE1 3.24Å; N53-E236 WeakPolarHBondContact CB-OE1 3.49Å; N53-E236 PolarHBondContact ND2-OE1 3.28Å |
| 54 | F | 96.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 27 Ų | 27 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.3 | -48.4 | 179.7 | 169.9 | -107.2 | 0 | 0 | 0 | 113 | A50 L51 S56 L57 A58 I67 L239 K240 W242 L243 | A50-F54 WeakPolarHBondContact O-CB 3.35Å; A50-F54 PolarHBondContact O-N 3.4Å; L51-F54 PolarHBondContact O-N 3.43Å; F54-S56 VanDerWaalsContact C-N 3.32Å; F54-S56 PolarHBondContact O-N 2.77Å; F54-L57 WeakPolarHBondContact O-CB 3.3Å; F54-L57 PolarHBondContact O-N 3.15Å; F54-A58 HydrophobicContact CE2-CB 4.49Å; F54-A58 HydrophobicContact CZ-CB 4.38Å; F54-A58 WeakPolarHBondContact O-CB 3.38Å; F54-A58 PolarHBondContact O-N 3.31Å; F54-I67 HydrophobicContact CE1-CD1 4Å; F54-I67 HydrophobicContact CE2-CD1 4.23Å; F54-I67 HydrophobicContact CZ-CD1 3.33Å; F54-L239 HydrophobicContact CB-CB 4.1Å; F54-L239 HydrophobicContact CB-CD1 3.91Å; F54-L239 HydrophobicContact CD1-CB 3.94Å; F54-L239 HydrophobicContact CD1-CD1 4.24Å; F54-L239 HydrophobicContact CD2-CB 3.69Å; F54-L239 HydrophobicContact CE1-CB 4.21Å; F54-L239 HydrophobicContact CE2-CB 3.97Å; F54-L239 WeakPolarHBondContact CE2-O 3.42Å; F54-L239 HydrophobicContact CG-CB 3.63Å; F54-L239 HydrophobicContact CG-CD1 4.15Å; F54-L239 HydrophobicContact CG-CG 4.47Å; F54-L239 HydrophobicContact CZ-CB 4.18Å; F54-L239 WeakPolarHBondContact CZ-O 3.41Å; F54-K240 HydrophobicContact CD2-CG 4.26Å; F54-W242 AromaticContact CE1-CE3 3.69Å; F54-W242 HydrophobicContact CE1-CE3 3.69Å; F54-W242 AromaticContact CE1-CZ3 3.95Å; F54-W242 HydrophobicContact CE1-CZ3 3.95Å; F54-W242 HydrophobicContact CZ-CB 4.26Å; F54-W242 HydrophobicContact CZ-CD2 4.35Å; F54-W242 AromaticContact CZ-CE3 3.68Å; F54-W242 HydrophobicContact CZ-CE3 3.68Å; F54-W242 HydrophobicContact CZ-CZ3 4.41Å; F54-L243 HydrophobicContact CD2-CD1 4.33Å; F54-L243 HydrophobicContact CE2-CD1 3.8Å; F54-L243 HydrophobicContact CE2-CD2 4.35Å; F54-L243 HydrophobicContact CE2-CG 3.82Å; F54-L243 HydrophobicContact CZ-CG 4.44Å |
| 55 | L | 95.9 | Very high | 91.6 | Very high | 5 Ų | 5 | 27.9 Ų | 27.9 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.8 | -36.5 | -178.2 | -69.8 | 168.6 | 0 | 0 | 0 | 111.1 | L51 L57 A58 C59 L70 L92 L95 V99 | L51-L55 HydrophobicContact CB-CD1 4.35Å; L51-L55 WeakPolarHBondContact O-CB 3.48Å; L51-L55 WeakPolarHBondContact O-CD1 3.35Å; L51-L55 WeakPolarHBondContact O-CG 3.28Å; L51-L55 PolarHBondContact O-N 2.87Å; L55-L57 VanDerWaalsContact C-N 3.32Å; L55-L57 PolarHBondContact O-N 2.94Å; L55-A58 PolarHBondContact O-N 3.49Å; L55-C59 WeakPolarHBondContact O-CB 3.44Å; L55-C59 PolarHBondContact O-N 3.23Å; L55-C59 PolarHBondContact O-SG 3.3Å; L55-L70 HydrophobicContact CD2-CD2 3.79Å; L55-L92 HydrophobicContact CB-CD1 4.3Å; L55-L95 HydrophobicContact CD1-CB 4.07Å; L55-L95 HydrophobicContact CD2-CB 4.44Å; L55-L95 HydrophobicContact CD2-CD1 4Å; L55-V99 HydrophobicContact CD1-CG2 3.75Å |
| 56 | S | 93.3 | Very high | 91.1 | Very high | 32 Ų | 32 | 25.7 Ų | 25.7 | 22% | 0.224 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.9 | -46.8 | 173.6 | -60.2 | 0 | 0 | 0 | 0 | 111 | D52 F54 S60 R96 | D52-S56 VanDerWaalsContact O-CB 3.26Å; D52-S56 WeakPolarHBondContact O-CB 3.42Å; D52-S56 PolarHBondContact O-N 2.85Å; D52-S56 PolarHBondContact O-OG 2.93Å; F54-S56 VanDerWaalsContact C-N 3.32Å; F54-S56 PolarHBondContact O-N 2.77Å; S56-S60 WeakPolarHBondContact O-CB 3.3Å; S56-S60 PolarHBondContact O-N 3.18Å; S56-S60 PolarHBondContact O-OG 3.17Å; S56-R96 PolarHBondContact OG-NH2 2.88Å |
| 57 | L | 91.8 | Very high | 90.8 | Very high | 44 Ų | 44 | 25.1 Ų | 25.1 | 23% | 0.23 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.4 | -56.8 | 174.8 | 176.5 | 64 | 0 | 0 | 0 | 111.6 | N53 F54 L55 C59 S60 L61 L243 I278 | N53-L57 PolarHBondContact O-N 3.46Å; F54-L57 WeakPolarHBondContact O-CB 3.3Å; F54-L57 PolarHBondContact O-N 3.15Å; L55-L57 VanDerWaalsContact C-N 3.32Å; L55-L57 PolarHBondContact O-N 2.94Å; L57-C59 VanDerWaalsContact C-N 3.26Å; L57-C59 PolarHBondContact O-N 2.83Å; L57-S60 PolarHBondContact O-N 3.17Å; L57-S60 PolarHBondContact O-OG 3.33Å; L57-L61 HydrophobicContact CD1-CD2 3.88Å; L57-L61 HydrophobicContact CD1-CG 4.28Å; L57-L61 WeakPolarHBondContact O-CG 3.23Å; L57-L61 PolarHBondContact O-N 3.11Å; L57-L61 VanDerWaalsContact O-N 3.14Å; L57-L243 HydrophobicContact CD2-CD1 4.18Å; L57-I278 HydrophobicContact CD2-CD1 3.96Å |
| 58 | A | 92.1 | Very high | 90.3 | Very high | 11 Ų | 11 | 27.3 Ų | 27.3 | 9% | 0.091 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.5 | -33.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F54 L55 I67 V88 L243 | F54-A58 HydrophobicContact CE2-CB 4.49Å; F54-A58 HydrophobicContact CZ-CB 4.38Å; F54-A58 WeakPolarHBondContact O-CB 3.38Å; F54-A58 PolarHBondContact O-N 3.31Å; L55-A58 PolarHBondContact O-N 3.49Å; A58-I67 HydrophobicContact CB-CD1 4.35Å; A58-V88 HydrophobicContact CB-CG1 4.21Å; A58-L243 HydrophobicContact CB-CD2 4.03Å |
| 59 | C | 91.3 | Very high | 90.1 | Very high | 15 Ų | 15 | 28.3 Ų | 28.3 | 10% | 0.101 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -76.2 | -26.6 | 176.2 | -65.8 | 0 | 0 | 0 | 0 | 113.3 | L55 L57 V88 L92 L95 | L55-C59 WeakPolarHBondContact O-CB 3.44Å; L55-C59 PolarHBondContact O-N 3.23Å; L55-C59 PolarHBondContact O-SG 3.3Å; L57-C59 VanDerWaalsContact C-N 3.26Å; L57-C59 PolarHBondContact O-N 2.83Å; C59-V88 PolarHBondContact SG-O 3.19Å; C59-L92 HydrophobicContact CB-CB 4.02Å; C59-L92 HydrophobicContact CB-CD1 4.19Å; C59-L95 VanDerWaalsContact SG-CD1 3.56Å |
| 60 | S | 87.5 | Confident | 90 | Very high | 45 Ų | 45 | 25.4 Ų | 25.4 | 32% | 0.315 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -90.7 | -17.3 | -176 | 66.2 | 0 | 0 | 0 | 0 | 114.2 | S56 L57 D62 P284 | S56-S60 WeakPolarHBondContact O-CB 3.3Å; S56-S60 PolarHBondContact O-N 3.18Å; S56-S60 PolarHBondContact O-OG 3.17Å; L57-S60 PolarHBondContact O-N 3.17Å; L57-S60 PolarHBondContact O-OG 3.33Å; S60-D62 PolarHBondContact O-N 2.94Å; S60-P284 WeakPolarHBondContact O-CD 3.42Å; S60-P284 VanDerWaalsContact O-CG 3.26Å; S60-P284 WeakPolarHBondContact O-CG 3.24Å |
| 61 | L | 86.5 | Confident | 90 | Very high | 11 Ų | 11 | 25.4 Ų | 25.4 | 6% | 0.058 | 15% | 0.154 | C | C | . | . | trans | -61 | 129.3 | -177.2 | -69.2 | 174.7 | 0 | 0 | 0 | 111.9 | L57 L243 I278 L282 V283 | L57-L61 HydrophobicContact CD1-CD2 3.88Å; L57-L61 HydrophobicContact CD1-CG 4.28Å; L57-L61 WeakPolarHBondContact O-CG 3.23Å; L57-L61 PolarHBondContact O-N 3.11Å; L57-L61 VanDerWaalsContact O-N 3.14Å; L61-L243 HydrophobicContact CD1-CD1 4.44Å; L61-L243 HydrophobicContact CD1-CD2 4.32Å; L61-I278 HydrophobicContact CD1-CD1 4.28Å; L61-I278 HydrophobicContact CD1-CG2 4.17Å; L61-I278 HydrophobicContact CD2-CG2 3.69Å; L61-L282 WeakPolarHBondContact CA-O 3.24Å; L61-L282 HydrophobicContact CD2-CB 4.09Å; L61-V283 HydrophobicContact CD2-CG2 4.43Å | ||
| 62 | D | 81.5 | Confident | 90 | Very high | 69 Ų | 69 | 25.6 Ų | 25.6 | 37% | 0.369 | 16% | 0.155 | S | C | . | . | trans | -74.8 | 171.8 | 169.8 | -78.1 | -39.7 | 0 | 0 | 0 | 112 | S60 R89 L282 | S60-D62 PolarHBondContact O-N 2.94Å; D62-R89 IonicContact OD1-NH2 2.67Å; D62-R89 PolarHBondContact OD1-NH2 3.37Å; D62-L282 PolarHBondContact N-O 3.34Å | ||
| 63 | G | 78 | Confident | 90 | Very high | 20 Ų | 20 | 24.8 Ų | 24.8 | 21% | 0.206 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 76 | -166.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | R89 | G63-R89 PolarHBondContact O-NH1 3.46Š|
| 64 | P | 74.8 | Confident | 90 | Very high | 34 Ų | 34 | 20.8 Ų | 20.8 | 22% | 0.221 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -66.4 | 140 | -177.9 | -24.5 | 36.2 | 0 | 0 | 0 | 112.6 | L23 R66 R297 | L23-P64 HydrophobicContact CD1-CB 3.81Å; L23-P64 HydrophobicContact CD2-CB 4Å; L23-P64 HydrophobicContact CG-CB 4.04Å; P64-R66 PolarHBondContact O-N 3.43Å; P64-R297 VanDerWaalsContact CB-NH1 3.3Å; P64-R297 VanDerWaalsContact CD-NH1 3.26Å |
| 65 | C | 79.9 | Confident | 89.8 | Confident | 36 Ų | 36 | 20.8 Ų | 20.8 | 24% | 0.243 | 13% | 0.129 | C | C | . | . | trans | -61.9 | 126.8 | -174.1 | -169.5 | 0 | 0 | 0 | 0 | 111 | Q26 I67 | Q26-C65 PolarHBondContact OE1-O 2.98Å; C65-I67 VanDerWaalsContact SG-C 3.59Å; C65-I67 PolarHBondContact SG-O 3.19Å | ||
| 66 | R | 85.1 | Confident | 89.4 | Confident | 18 Ų | 18 | 21.6 Ų | 21.6 | 7% | 0.068 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -85.2 | -11.6 | -178 | -68.2 | -178.9 | 176.8 | -127.3 | 3.5 | 114.1 | Q26 P64 L243 E275 | Q26-R66 PolarHBondContact NE2-O 2.82Å; Q26-R66 PolarHBondContact OE1-O 2.63Å; P64-R66 PolarHBondContact O-N 3.43Å; R66-L243 HydrophobicContact CB-CD2 3.85Å; R66-L243 WeakPolarHBondContact CD-O 3.46Å; R66-L243 PolarHBondContact NH1-O 3.12Å; R66-E275 IonicContact CZ-OE2 3.45Å; R66-E275 IonicContact NH1-OE2 2.64Å; R66-E275 PolarHBondContact NH1-OE2 2.84Å; R66-E275 IonicContact NH2-OE1 2.71Å; R66-E275 IonicContact NH2-OE2 3.8Å; R66-E275 PolarHBondContact NH2-OE2 3.34Å |
| 67 | I | 89.9 | Confident | 88.9 | Confident | 5 Ų | 5 | 29.1 Ų | 29.1 | 3% | 0.026 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -142.1 | 90.6 | 176.9 | -56.2 | 173.7 | 0 | 0 | 0 | 106.6 | R29 F54 A58 C65 L69 V88 W242 L243 | R29-I67 HydrophobicContact CB-CG2 4.16Å; R29-I67 HydrophobicContact CG-CG2 3.64Å; F54-I67 HydrophobicContact CE1-CD1 4Å; F54-I67 HydrophobicContact CE2-CD1 4.23Å; F54-I67 HydrophobicContact CZ-CD1 3.33Å; A58-I67 HydrophobicContact CB-CD1 4.35Å; C65-I67 VanDerWaalsContact SG-C 3.59Å; C65-I67 PolarHBondContact SG-O 3.19Å; I67-L69 VanDerWaalsContact C-N 3.29Å; I67-L69 PolarHBondContact O-N 2.87Å; I67-V88 HydrophobicContact CB-CB 4.47Å; I67-V88 HydrophobicContact CB-CG2 4Å; I67-V88 HydrophobicContact CG2-CG2 3.63Å; I67-V88 VanDerWaalsContact O-CB 3.32Å; I67-V88 WeakPolarHBondContact O-CB 3.39Å; I67-V88 VanDerWaalsContact O-CG2 3.28Å; I67-V88 WeakPolarHBondContact O-CG2 3.16Å; I67-W242 HydrophobicContact CD1-CB 3.9Å; I67-W242 HydrophobicContact CD1-CE3 4.32Å; I67-W242 HydrophobicContact CG1-CB 4.38Å; I67-L243 HydrophobicContact CD1-CD2 3.66Å; I67-L243 HydrophobicContact CD1-CG 4.36Å; I67-L243 HydrophobicContact CG1-CD2 3.96Å |
| 68 | P | 87.9 | Confident | 88.6 | Confident | 47 Ų | 47 | 32.2 Ų | 32.2 | 31% | 0.305 | 17% | 0.172 | S | C | . | . | trans | -65.4 | -35.8 | -169.3 | 23.7 | -32.7 | 0 | 0 | 0 | 112.2 | Q26 Q87 | Q26-P68 HydrophobicContact CB-CG 4.28Å; Q26-P68 WeakPolarHBondContact O-CG 3.31Å; P68-Q87 WeakPolarHBondContact O-CA 3.36Å | ||
| 69 | L | 92.4 | Very high | 88.5 | Confident | 20 Ų | 20 | 33.3 Ų | 33.3 | 11% | 0.105 | 18% | 0.178 | C | C | . | . | trans | -141.7 | 143.5 | -178 | -62.5 | 168.8 | 0 | 0 | 0 | 110.9 | A28 R29 I67 F85 V86 Q87 F132 F135 | A28-L69 HydrophobicContact CB-CB 3.86Å; A28-L69 HydrophobicContact CB-CD1 4.29Å; R29-L69 PolarHBondContact N-O 3.28Å; I67-L69 VanDerWaalsContact C-N 3.29Å; I67-L69 PolarHBondContact O-N 2.87Å; L69-F85 HydrophobicContact CB-CD1 3.98Å; L69-V86 CarbonylContact C-O 3.57Å; L69-V86 VanDerWaalsContact CA-O 3.27Å; L69-V86 WeakPolarHBondContact CA-O 3.36Å; L69-Q87 HydrophobicContact CD2-CG 4.17Å; L69-F132 HydrophobicContact CD1-CE2 4.46Å; L69-F135 HydrophobicContact CD1-CD1 3.93Å; L69-F135 HydrophobicContact CD1-CE1 3.39Å; L69-F135 HydrophobicContact CD1-CZ 4.05Å; L69-F135 HydrophobicContact CD2-CE1 3.87Å; L69-F135 HydrophobicContact CD2-CZ 3.63Å; L69-F135 HydrophobicContact CG-CE1 4.29Å | ||
| 70 | L | 96.1 | Very high | 88.6 | Confident | 7 Ų | 7 | 35.9 Ų | 35.9 | 4% | 0.037 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 138 | 173.2 | 179.5 | 64.3 | 0 | 0 | 0 | 110.2 | R29 L55 L83 F85 V86 V88 L95 W242 | R29-L70 HydrophobicContact CB-CD1 3.84Å; R29-L70 CarbonylContact O-C 3.59Å; R29-L70 VanDerWaalsContact O-CA 3.32Å; R29-L70 WeakPolarHBondContact O-CA 3.36Å; L55-L70 HydrophobicContact CD2-CD2 3.79Å; L70-L83 HydrophobicContact CG-CD2 4.49Å; L70-F85 WeakPolarHBondContact O-CA 2.97Å; L70-V86 PolarHBondContact N-O 3.17Å; L70-V86 PolarHBondContact O-N 3.43Å; L70-V88 HydrophobicContact CB-CG2 3.63Å; L70-L95 HydrophobicContact CD2-CD2 4.17Å; L70-W242 HydrophobicContact CD1-CZ3 4.02Å |
| 71 | S | 97.7 | Very high | 89 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 145.4 | 168.9 | -179.9 | 0 | 0 | 0 | 0 | 109.2 | R29 V30 L31 Y73 L83 Q131 | R29-S71 PolarHBondContact O-N 3.38Å; V30-S71 WeakPolarHBondContact CA-O 3.29Å; L31-S71 PolarHBondContact N-O 3.02Å; S71-Y73 WeakPolarHBondContact OG-CE2 3.49Å; S71-L83 CarbonylContact C-O 3.01Å; S71-L83 VanDerWaalsContact CA-O 3.29Å; S71-L83 WeakPolarHBondContact CA-O 3.45Å; S71-L83 PolarHBondContact OG-O 2.79Å; S71-Q131 PolarHBondContact OG-OE1 3.18Å |
| 72 | L | 98.3 | Very high | 89.5 | Confident | 7 Ų | 7 | 36.7 Ų | 36.7 | 4% | 0.037 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 128.2 | -177.7 | -164.5 | 153.7 | 0 | 0 | 0 | 110.6 | L31 L82 L83 | L31-L72 HydrophobicContact CB-CG 4.35Å; L31-L72 HydrophobicContact CD2-CD1 3.96Å; L31-L72 HydrophobicContact CD2-CG 4.42Å; L31-L72 CarbonylContact O-C 3.52Å; L31-L72 WeakPolarHBondContact O-CA 3.26Å; L72-L82 HydrophobicContact CD2-CB 3.96Å; L72-L82 HydrophobicContact CD2-CD1 3.75Å; L72-L82 HydrophobicContact CD2-CG 4.09Å; L72-L82 PolarHBondContact O-N 3.02Å; L72-L83 HydrophobicContact CB-CB 3.86Å; L72-L83 HydrophobicContact CB-CD2 4.43Å; L72-L83 PolarHBondContact N-O 3.08Å; L72-L83 PolarHBondContact O-N 2.87Å |
| 73 | Y | 97.9 | Very high | 90.2 | Very high | 10 Ų | 10 | 33.6 Ų | 33.6 | 4% | 0.039 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 144.5 | 173.5 | -71.2 | -106 | 0 | 0 | 0 | 109.7 | V30 L31 I32 V33 S71 E80 C81 A124 D127 S128 Q131 | V30-Y73 HydrophobicContact CG1-CD2 4.08Å; V30-Y73 HydrophobicContact CG1-CE2 4.39Å; L31-Y73 PolarHBondContact O-N 3.04Å; I32-Y73 CarbonylContact C-O 3.52Å; I32-Y73 WeakPolarHBondContact CA-O 3.11Å; V33-Y73 PolarHBondContact N-O 3.28Å; S71-Y73 WeakPolarHBondContact OG-CE2 3.49Å; Y73-E80 CarbonylContact C-O 3.47Å; Y73-E80 VanDerWaalsContact CA-O 3.24Å; Y73-E80 WeakPolarHBondContact CA-O 3.48Å; Y73-C81 HydrophobicContact CD1-CB 3.9Å; Y73-C81 HydrophobicContact CE1-CB 3.55Å; Y73-A124 HydrophobicContact CD1-CB 4.44Å; Y73-D127 HydrophobicContact CE1-CB 4.2Å; Y73-S128 WeakPolarHBondContact OH-CA 3.49Å; Y73-Q131 PolarHBondContact OH-OE1 3.44Å |
| 74 | A | 95.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 143.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110 | V33 E80 L82 L102 I105 | V33-A74 CarbonylContact O-C 3.5Å; V33-A74 WeakPolarHBondContact O-CA 3.13Å; A74-E80 PolarHBondContact N-O 3.1Å; A74-E80 PolarHBondContact O-N 3.36Å; A74-L82 HydrophobicContact CB-CD1 3.63Å; A74-L82 HydrophobicContact CB-CD2 4.4Å; A74-L82 HydrophobicContact CB-CG 3.92Å; A74-L102 HydrophobicContact CB-CD1 3.99Å; A74-I105 HydrophobicContact CB-CD1 3.52Å |
| 75 | I | 92.4 | Very high | 92 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 109.2 | 177.7 | -61.8 | 170.8 | 0 | 0 | 0 | 107.5 | I32 V33 A35 P79 L120 L121 A124 | I32-I75 HydrophobicContact CG2-CD1 3.73Å; I32-I75 HydrophobicContact CG2-CG1 4.27Å; V33-I75 PolarHBondContact O-N 3.01Å; A35-I75 CarbonylContact C-O 3.55Å; A35-I75 WeakPolarHBondContact CA-O 3.22Å; A35-I75 PolarHBondContact N-O 3.02Å; I75-P79 HydrophobicContact CG1-CB 4.41Å; I75-L120 HydrophobicContact CG2-CB 3.83Å; I75-L120 HydrophobicContact CG2-CD1 3.97Å; I75-L121 HydrophobicContact CD1-CB 4.14Å; I75-L121 HydrophobicContact CD1-CD2 3.27Å; I75-L121 HydrophobicContact CD1-CG 3.46Å; I75-L121 VanDerWaalsContact CD1-CG 3.46Å; I75-A124 HydrophobicContact CD1-CB 4.04Å; I75-A124 HydrophobicContact CG1-CB 4.43Å |
| 76 | S | 86.9 | Confident | 92.6 | Very high | 22 Ų | 22 | 32.7 Ų | 32.7 | 15% | 0.154 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -117.2 | -88.1 | 173.1 | 65 | 0 | 0 | 0 | 0 | 109.3 | L36 Q78 | L36-S76 WeakPolarHBondContact CD2-O 3.2Å; S76-Q78 PolarHBondContact N-O 3.47Å |
| 77 | R | 82.1 | Confident | 92.9 | Very high | 190 Ų | 190 | 37.6 Ų | 37.6 | 72% | 0.717 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -87.2 | -31 | 171.5 | -65 | 177 | -176.3 | -174.1 | 3.4 | 112.3 | I111 | R77-I111 HydrophobicContact CG-CD1 3.65Š|
| 78 | Q | 85.9 | Confident | 93 | Very high | 110 Ų | 110 | 37.4 Ų | 37.4 | 51% | 0.514 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -148 | 161.3 | -177.9 | 65.8 | -171.2 | 0.8 | 0 | 0 | 108.3 | S76 E80 | S76-Q78 PolarHBondContact N-O 3.47Å; Q78-E80 HydrophobicContact CG-CG 3.8Å; Q78-E80 PolarHBondContact NE2-OE1 3.23Å; Q78-E80 PolarHBondContact O-N 2.95Å |
| 79 | P | 89.6 | Confident | 93 | Very high | 33 Ų | 33 | 39.8 Ų | 39.8 | 21% | 0.214 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 124 | 170.2 | 29 | -35.8 | 0 | 0 | 0 | 110 | I75 Q123 A124 | I75-P79 HydrophobicContact CG1-CB 4.41Å; P79-Q123 HydrophobicContact CG-CB 4.36Å; P79-Q123 HydrophobicContact CG-CG 4.08Å; P79-A124 HydrophobicContact CB-CB 4.02Å |
| 80 | E | 93.9 | Very high | 92.7 | Very high | 70 Ų | 70 | 42.3 Ų | 42.3 | 33% | 0.327 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 130.2 | 178.1 | -65.5 | -177.8 | 169.9 | 0 | 0 | 109.4 | Y73 A74 Q78 L82 | Y73-E80 CarbonylContact C-O 3.47Å; Y73-E80 VanDerWaalsContact CA-O 3.24Å; Y73-E80 WeakPolarHBondContact CA-O 3.48Å; A74-E80 PolarHBondContact N-O 3.1Å; A74-E80 PolarHBondContact O-N 3.36Å; Q78-E80 HydrophobicContact CG-CG 3.8Å; Q78-E80 PolarHBondContact NE2-OE1 3.23Å; Q78-E80 PolarHBondContact O-N 2.95Å; E80-L82 HydrophobicContact CB-CD2 4.28Å; E80-L82 PolarHBondContact O-N 3.37Å |
| 81 | C | 96.4 | Very high | 92.5 | Very high | 53 Ų | 53 | 44.4 Ų | 44.4 | 36% | 0.358 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 95.8 | 174.1 | -174.8 | 0 | 0 | 0 | 0 | 108.7 | Y73 L83 Q131 | Y73-C81 HydrophobicContact CD1-CB 3.9Å; Y73-C81 HydrophobicContact CE1-CB 3.55Å; C81-L83 VanDerWaalsContact C-N 3.32Å; C81-Q131 PolarHBondContact SG-NE2 3.48Å |
| 82 | L | 96.5 | Very high | 92.3 | Very high | 20 Ų | 20 | 46.8 Ų | 46.8 | 11% | 0.105 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | -32.7 | 178.2 | -55.6 | -169.8 | 0 | 0 | 0 | 111.3 | L72 A74 E80 E101 L102 I105 | L72-L82 HydrophobicContact CD2-CB 3.96Å; L72-L82 HydrophobicContact CD2-CD1 3.75Å; L72-L82 HydrophobicContact CD2-CG 4.09Å; L72-L82 PolarHBondContact O-N 3.02Å; A74-L82 HydrophobicContact CB-CD1 3.63Å; A74-L82 HydrophobicContact CB-CD2 4.4Å; A74-L82 HydrophobicContact CB-CG 3.92Å; E80-L82 HydrophobicContact CB-CD2 4.28Å; E80-L82 PolarHBondContact O-N 3.37Å; L82-E101 HydrophobicContact CD1-CG 4.44Å; L82-E101 HydrophobicContact CD2-CG 4.17Å; L82-L102 HydrophobicContact CD1-CB 4.12Å; L82-L102 HydrophobicContact CD1-CD1 4.16Å; L82-I105 HydrophobicContact CD1-CD1 4.46Å |
| 83 | L | 97.1 | Very high | 92.2 | Very high | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 109 | -179.9 | -176.3 | 72.3 | 0 | 0 | 0 | 110.2 | L70 S71 L72 C81 V86 R94 L95 C98 | L70-L83 HydrophobicContact CG-CD2 4.49Å; S71-L83 CarbonylContact C-O 3.01Å; S71-L83 VanDerWaalsContact CA-O 3.29Å; S71-L83 WeakPolarHBondContact CA-O 3.45Å; S71-L83 PolarHBondContact OG-O 2.79Å; L72-L83 HydrophobicContact CB-CB 3.86Å; L72-L83 HydrophobicContact CB-CD2 4.43Å; L72-L83 PolarHBondContact N-O 3.08Å; L72-L83 PolarHBondContact O-N 2.87Å; C81-L83 VanDerWaalsContact C-N 3.32Å; L83-V86 HydrophobicContact CD1-CG1 4.13Å; L83-V86 HydrophobicContact CD1-CG2 3.85Å; L83-V86 HydrophobicContact CD2-CG2 3.8Å; L83-V86 HydrophobicContact CG-CG2 3.94Å; L83-R94 HydrophobicContact CD1-CG 4.06Å; L83-L95 HydrophobicContact CD1-CD2 4.48Å; L83-L95 HydrophobicContact CD2-CD2 3.35Å; L83-C98 HydrophobicContact CB-CB 4.26Å |
| 84 | P | 95.7 | Very high | 92.1 | Very high | 50 Ų | 50 | 55.8 Ų | 55.8 | 33% | 0.325 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 166.2 | 168.2 | 31.4 | -36.5 | 0 | 0 | 0 | 110.2 | V86 | P84-V86 WeakPolarHBondContact O-CG1 3.24Å; P84-V86 PolarHBondContact O-N 2.95Å |
| 85 | F | 94.3 | Very high | 92.2 | Very high | 11 Ų | 11 | 56 Ų | 56 | 5% | 0.048 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -49.4 | 118.6 | 179 | -76.2 | -73.7 | 0 | 0 | 0 | 113.2 | A28 V30 L69 L70 Q131 F132 F135 | A28-F85 HydrophobicContact CB-CD1 4.37Å; A28-F85 HydrophobicContact CB-CE1 3.86Å; V30-F85 HydrophobicContact CG2-CE1 3.85Å; V30-F85 HydrophobicContact CG2-CE2 4.47Å; V30-F85 HydrophobicContact CG2-CZ 3.46Å; V30-F85 VanDerWaalsContact CG2-CZ 3.46Å; L69-F85 HydrophobicContact CB-CD1 3.98Å; L70-F85 WeakPolarHBondContact O-CA 2.97Å; F85-Q131 HydrophobicContact CD2-CB 4.45Å; F85-Q131 HydrophobicContact CD2-CG 3.97Å; F85-Q131 VanDerWaalsContact CD2-OE1 3.27Å; F85-Q131 HydrophobicContact CE2-CB 4.32Å; F85-Q131 HydrophobicContact CE2-CG 4.32Å; F85-F132 HydrophobicContact CD2-CB 4.35Å; F85-F132 HydrophobicContact CD2-CD2 4.43Å; F85-F132 HydrophobicContact CE1-CD2 4.08Å; F85-F132 HydrophobicContact CE2-CB 3.52Å; F85-F132 AromaticContact CE2-CD2 4Å; F85-F132 HydrophobicContact CE2-CD2 4Å; F85-F132 HydrophobicContact CE2-CG 4.27Å; F85-F132 HydrophobicContact CZ-CB 3.79Å; F85-F132 AromaticContact CZ-CD2 3.78Å; F85-F132 HydrophobicContact CZ-CD2 3.78Å; F85-F132 HydrophobicContact CZ-CG 4.21Å; F85-F135 HydrophobicContact CB-CD2 3.81Å; F85-F135 HydrophobicContact CB-CE2 4.09Å; F85-F135 HydrophobicContact CB-CG 4.09Å |
| 86 | V | 93 | Very high | 92.4 | Very high | 10 Ų | 10 | 61.3 Ų | 61.3 | 6% | 0.061 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 155.3 | 174.4 | -67.3 | 0 | 0 | 0 | 0 | 110.4 | L69 L70 L83 P84 L95 | L69-V86 CarbonylContact C-O 3.57Å; L69-V86 VanDerWaalsContact CA-O 3.27Å; L69-V86 WeakPolarHBondContact CA-O 3.36Å; L70-V86 PolarHBondContact N-O 3.17Å; L70-V86 PolarHBondContact O-N 3.43Å; L83-V86 HydrophobicContact CD1-CG1 4.13Å; L83-V86 HydrophobicContact CD1-CG2 3.85Å; L83-V86 HydrophobicContact CD2-CG2 3.8Å; L83-V86 HydrophobicContact CG-CG2 3.94Å; P84-V86 WeakPolarHBondContact O-CG1 3.24Å; P84-V86 PolarHBondContact O-N 2.95Å; V86-L95 HydrophobicContact CG2-CD2 3.73Å |
| 87 | Q | 91.6 | Very high | 92.9 | Very high | 120 Ų | 120 | 63.9 Ų | 63.9 | 56% | 0.561 | 34% | 0.335 | S | S | * | . | trans | -66.1 | 135.2 | 169.7 | -68.2 | 177.7 | -10.2 | 0 | 0 | 109.9 | P68 L69 N91 | P68-Q87 WeakPolarHBondContact O-CA 3.36Å; L69-Q87 HydrophobicContact CD2-CG 4.17Å; Q87-N91 VanDerWaalsContact O-CB 3.25Å; Q87-N91 WeakPolarHBondContact O-CB 3.28Å; Q87-N91 PolarHBondContact O-ND2 3.19Å | ||
| 88 | V | 91.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.012 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -72.1 | -49.1 | 177.7 | 176.7 | 0 | 0 | 0 | 0 | 110.4 | A58 C59 I67 L70 G90 N91 L95 | A58-V88 HydrophobicContact CB-CG1 4.21Å; C59-V88 PolarHBondContact SG-O 3.19Å; I67-V88 HydrophobicContact CB-CB 4.47Å; I67-V88 HydrophobicContact CB-CG2 4Å; I67-V88 HydrophobicContact CG2-CG2 3.63Å; I67-V88 VanDerWaalsContact O-CB 3.32Å; I67-V88 WeakPolarHBondContact O-CB 3.39Å; I67-V88 VanDerWaalsContact O-CG2 3.28Å; I67-V88 WeakPolarHBondContact O-CG2 3.16Å; L70-V88 HydrophobicContact CB-CG2 3.63Å; V88-G90 PolarHBondContact O-N 2.74Å; V88-N91 PolarHBondContact O-N 2.89Å; V88-L95 HydrophobicContact CG1-CD1 4.12Å |
| 89 | R | 87.9 | Confident | 94.2 | Very high | 97 Ų | 97 | 49.9 Ų | 49.9 | 37% | 0.366 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | 129.3 | 179.9 | -166.7 | 174.8 | -167.8 | 166.5 | 8 | 110.8 | D62 G63 N91 | D62-R89 IonicContact OD1-NH2 2.67Å; D62-R89 PolarHBondContact OD1-NH2 3.37Å; G63-R89 PolarHBondContact O-NH1 3.46Å; R89-N91 VanDerWaalsContact C-N 3.3Å; R89-N91 PolarHBondContact O-N 3.5Å |
| 90 | G | 86.2 | Confident | 94.6 | Very high | 72 Ų | 72 | 53.2 Ų | 53.2 | 74% | 0.742 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.8 | -1.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | V88 | V88-G90 PolarHBondContact O-N 2.74Š|
| 91 | N | 92.1 | Very high | 94.7 | Very high | 51 Ų | 51 | 54.2 Ų | 54.2 | 27% | 0.273 | 30% | 0.296 | S | S | . | . | trans | -111.9 | 21.6 | -178 | -71.1 | -71.1 | 0 | 0 | 0 | 114.3 | Q87 V88 R89 A93 R94 L95 | Q87-N91 VanDerWaalsContact O-CB 3.25Å; Q87-N91 WeakPolarHBondContact O-CB 3.28Å; Q87-N91 PolarHBondContact O-ND2 3.19Å; V88-N91 PolarHBondContact O-N 2.89Å; R89-N91 VanDerWaalsContact C-N 3.3Å; R89-N91 PolarHBondContact O-N 3.5Å; N91-A93 VanDerWaalsContact C-N 3.27Å; N91-A93 PolarHBondContact O-N 3.47Å; N91-A93 VanDerWaalsContact O-N 3.12Å; N91-R94 PolarHBondContact O-N 3.27Å; N91-L95 WeakPolarHBondContact O-CG 3.4Å; N91-L95 PolarHBondContact O-N 3.4Å | ||
| 92 | L | 94.1 | Very high | 94.6 | Very high | 50 Ų | 50 | 51.7 Ų | 51.7 | 26% | 0.262 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -51 | -42 | -175.2 | -178.6 | 61.9 | 0 | 0 | 0 | 113.6 | L55 C59 R94 L95 R96 | L55-L92 HydrophobicContact CB-CD1 4.3Å; C59-L92 HydrophobicContact CB-CB 4.02Å; C59-L92 HydrophobicContact CB-CD1 4.19Å; L92-R94 PolarHBondContact O-N 3.28Å; L92-L95 PolarHBondContact O-N 3.04Å; L92-R96 HydrophobicContact CD1-CG 4.05Å; L92-R96 HydrophobicContact CG-CG 4.38Å; L92-R96 WeakPolarHBondContact O-CB 3.33Å; L92-R96 WeakPolarHBondContact O-CG 3.45Å; L92-R96 PolarHBondContact O-N 3.36Å |
| 93 | A | 95.6 | Very high | 94.6 | Very high | 84 Ų | 84 | 54.2 Ų | 54.2 | 69% | 0.694 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -60.8 | -42.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N91 S97 | N91-A93 VanDerWaalsContact C-N 3.27Å; N91-A93 PolarHBondContact O-N 3.47Å; N91-A93 VanDerWaalsContact O-N 3.12Å; A93-S97 WeakPolarHBondContact O-CB 3.4Å; A93-S97 PolarHBondContact O-N 3.4Å |
| 94 | R | 96.2 | Very high | 94.4 | Very high | 123 Ų | 123 | 58.2 Ų | 58.2 | 46% | 0.464 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -68.5 | -40.3 | 177.1 | -176.9 | 175.6 | 178.5 | 179 | -1.5 | 111.4 | L83 N91 L92 S97 C98 | L83-R94 HydrophobicContact CD1-CG 4.06Å; N91-R94 PolarHBondContact O-N 3.27Å; L92-R94 PolarHBondContact O-N 3.28Å; R94-S97 PolarHBondContact O-N 2.86Å; R94-C98 PolarHBondContact O-N 2.85Å; R94-C98 VanDerWaalsContact O-N 3.1Å |
| 95 | L | 96.8 | Very high | 94.2 | Very high | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.016 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.2 | -44.6 | 178.6 | -61.6 | 174.7 | 0 | 0 | 0 | 111.4 | L55 C59 L70 L83 V86 V88 N91 L92 C98 V99 | L55-L95 HydrophobicContact CD1-CB 4.07Å; L55-L95 HydrophobicContact CD2-CB 4.44Å; L55-L95 HydrophobicContact CD2-CD1 4Å; C59-L95 VanDerWaalsContact SG-CD1 3.56Å; L70-L95 HydrophobicContact CD2-CD2 4.17Å; L83-L95 HydrophobicContact CD1-CD2 4.48Å; L83-L95 HydrophobicContact CD2-CD2 3.35Å; V86-L95 HydrophobicContact CG2-CD2 3.73Å; V88-L95 HydrophobicContact CG1-CD1 4.12Å; N91-L95 WeakPolarHBondContact O-CG 3.4Å; N91-L95 PolarHBondContact O-N 3.4Å; L92-L95 PolarHBondContact O-N 3.04Å; L95-C98 WeakPolarHBondContact O-CB 3.35Å; L95-C98 PolarHBondContact O-N 2.9Å; L95-C98 VanDerWaalsContact O-N 3.17Å; L95-V99 PolarHBondContact O-N 2.88Å; L95-V99 VanDerWaalsContact O-N 3.08Å |
| 96 | R | 96.6 | Very high | 93.8 | Very high | 112 Ų | 112 | 59.9 Ų | 59.9 | 42% | 0.423 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.8 | -41 | 173.8 | -74.7 | -172.9 | 176.8 | 175.9 | -1.1 | 112.4 | S56 L92 C98 V99 E100 | S56-R96 PolarHBondContact OG-NH2 2.88Å; L92-R96 HydrophobicContact CD1-CG 4.05Å; L92-R96 HydrophobicContact CG-CG 4.38Å; L92-R96 WeakPolarHBondContact O-CB 3.33Å; L92-R96 WeakPolarHBondContact O-CG 3.45Å; L92-R96 PolarHBondContact O-N 3.36Å; R96-C98 PolarHBondContact O-N 3.13Å; R96-V99 WeakPolarHBondContact O-CA 3.4Å; R96-V99 WeakPolarHBondContact O-CB 3.5Å; R96-V99 PolarHBondContact O-N 2.8Å; R96-E100 PolarHBondContact O-N 3.18Å |
| 97 | S | 97.6 | Very high | 92.7 | Very high | 77 Ų | 77 | 60.2 Ų | 60.2 | 54% | 0.538 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -57.9 | -36.8 | 174.3 | -171.3 | 0 | 0 | 0 | 0 | 112.3 | A93 R94 E100 E101 | A93-S97 WeakPolarHBondContact O-CB 3.4Å; A93-S97 PolarHBondContact O-N 3.4Å; R94-S97 PolarHBondContact O-N 2.86Å; S97-E100 PolarHBondContact O-N 2.83Å; S97-E101 PolarHBondContact O-N 3.48Å |
| 98 | C | 97.3 | Very high | 91.4 | Very high | 5 Ų | 5 | 63.1 Ų | 63.1 | 3% | 0.034 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.9 | -35.8 | 174.2 | 176.2 | 0 | 0 | 0 | 0 | 112.3 | L83 R94 L95 R96 E101 L102 | L83-C98 HydrophobicContact CB-CB 4.26Å; R94-C98 PolarHBondContact O-N 2.85Å; R94-C98 VanDerWaalsContact O-N 3.1Å; L95-C98 WeakPolarHBondContact O-CB 3.35Å; L95-C98 PolarHBondContact O-N 2.9Å; L95-C98 VanDerWaalsContact O-N 3.17Å; R96-C98 PolarHBondContact O-N 3.13Å; C98-E101 PolarHBondContact O-N 2.52Å; C98-L102 PolarHBondContact O-N 2.91Å |
| 99 | V | 97.8 | Very high | 89.8 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.006 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.7 | -39.6 | 173.7 | 177.9 | 0 | 0 | 0 | 0 | 110.9 | C48 L51 L55 L95 R96 E101 L102 R103 | C48-V99 HydrophobicContact CB-CG1 3.76Å; L51-V99 HydrophobicContact CB-CG1 4.45Å; L51-V99 HydrophobicContact CB-CG2 3.94Å; L51-V99 HydrophobicContact CD1-CG2 4.4Å; L55-V99 HydrophobicContact CD1-CG2 3.75Å; L95-V99 PolarHBondContact O-N 2.88Å; L95-V99 VanDerWaalsContact O-N 3.08Å; R96-V99 WeakPolarHBondContact O-CA 3.4Å; R96-V99 WeakPolarHBondContact O-CB 3.5Å; R96-V99 PolarHBondContact O-N 2.8Å; V99-E101 VanDerWaalsContact C-N 3.35Å; V99-E101 PolarHBondContact O-N 3.36Å; V99-L102 WeakPolarHBondContact O-CB 3.37Å; V99-L102 PolarHBondContact O-N 2.83Å; V99-R103 WeakPolarHBondContact O-CB 3.44Å; V99-R103 PolarHBondContact O-N 3.1Å |
| 100 | E | 97.6 | Very high | 87.9 | Confident | 102 Ų | 102 | 65.5 Ų | 65.5 | 48% | 0.477 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.3 | -40 | 173.2 | -65.1 | -54.6 | 150.1 | 0 | 0 | 112.4 | R96 S97 R103 S104 | R96-E100 PolarHBondContact O-N 3.18Å; S97-E100 PolarHBondContact O-N 2.83Å; E100-R103 WeakPolarHBondContact O-CB 3.18Å; E100-R103 PolarHBondContact O-N 2.93Å; E100-R103 IonicContact OE1-CZ 3.22Å; E100-R103 IonicContact OE1-NH1 2.77Å; E100-R103 PolarHBondContact OE1-NH1 3.01Å; E100-R103 IonicContact OE2-CZ 2.77Å; E100-R103 IonicContact OE2-NH1 2.71Å; E100-R103 PolarHBondContact OE2-NH1 2.89Å; E100-S104 PolarHBondContact O-N 2.89Å |
| 101 | E | 96.3 | Very high | 86.4 | Confident | 92 Ų | 92 | 65 Ų | 65 | 43% | 0.43 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.8 | -43.8 | 174.9 | -172.3 | 173.3 | -177.1 | 0 | 0 | 111.2 | L82 S97 C98 V99 R103 S104 | L82-E101 HydrophobicContact CD1-CG 4.44Å; L82-E101 HydrophobicContact CD2-CG 4.17Å; S97-E101 PolarHBondContact O-N 3.48Å; C98-E101 PolarHBondContact O-N 2.52Å; V99-E101 VanDerWaalsContact C-N 3.35Å; V99-E101 PolarHBondContact O-N 3.36Å; E101-R103 VanDerWaalsContact C-N 3.35Å; E101-R103 PolarHBondContact O-N 3.22Å; E101-S104 WeakPolarHBondContact O-CB 3.26Å; E101-S104 PolarHBondContact O-N 3.18Å; E101-S104 VanDerWaalsContact O-N 3.14Å; E101-S104 PolarHBondContact O-OG 3.18Å |
| 102 | L | 95.7 | Very high | 84.3 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -58.1 | -46.6 | 172.8 | -176.1 | 62.7 | 0 | 0 | 0 | 111.4 | V33 W40 L47 L51 A74 L82 C98 V99 S104 I105 | V33-L102 HydrophobicContact CB-CD1 4.12Å; V33-L102 HydrophobicContact CG1-CD1 4.08Å; V33-L102 HydrophobicContact CG2-CD1 4.36Å; V33-L102 HydrophobicContact CG2-CD2 4.13Å; W40-L102 HydrophobicContact CH2-CD1 3.79Å; W40-L102 HydrophobicContact CH2-CD2 4.14Å; W40-L102 HydrophobicContact CH2-CG 3.72Å; W40-L102 HydrophobicContact CZ2-CD1 3.9Å; W40-L102 HydrophobicContact CZ2-CG 3.9Å; W40-L102 WeakPolarHBondContact CZ2-O 3.36Å; L47-L102 HydrophobicContact CD2-CD2 4.22Å; L51-L102 HydrophobicContact CD1-CD2 3.91Å; A74-L102 HydrophobicContact CB-CD1 3.99Å; L82-L102 HydrophobicContact CD1-CB 4.12Å; L82-L102 HydrophobicContact CD1-CD1 4.16Å; C98-L102 PolarHBondContact O-N 2.91Å; V99-L102 WeakPolarHBondContact O-CB 3.37Å; V99-L102 PolarHBondContact O-N 2.83Å; L102-S104 PolarHBondContact O-N 3.3Å; L102-I105 HydrophobicContact CD1-CD1 3.86Å; L102-I105 WeakPolarHBondContact O-CB 3.48Å; L102-I105 WeakPolarHBondContact O-CG1 3.31Å; L102-I105 PolarHBondContact O-N 3.25Å; L102-I105 VanDerWaalsContact O-N 3.12Å |
| 103 | R | 95.4 | Very high | 82.3 | Confident | 72 Ų | 72 | 71.8 Ų | 71.8 | 27% | 0.272 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.5 | -28.7 | 177.6 | -169.9 | 179.4 | -73.4 | 113.9 | -5.6 | 112.5 | D49 D52 V99 E100 E101 I105 | D49-R103 IonicContact OD1-NH2 2.84Å; D52-R103 IonicContact OD2-CZ 3.18Å; D52-R103 IonicContact OD2-NH1 3.89Å; D52-R103 IonicContact OD2-NH2 2.69Å; D52-R103 PolarHBondContact OD2-NH2 3.33Å; V99-R103 WeakPolarHBondContact O-CB 3.44Å; V99-R103 PolarHBondContact O-N 3.1Å; E100-R103 WeakPolarHBondContact O-CB 3.18Å; E100-R103 PolarHBondContact O-N 2.93Å; E100-R103 IonicContact OE1-CZ 3.22Å; E100-R103 IonicContact OE1-NH1 2.77Å; E100-R103 PolarHBondContact OE1-NH1 3.01Å; E100-R103 IonicContact OE2-CZ 2.77Å; E100-R103 IonicContact OE2-NH1 2.71Å; E100-R103 PolarHBondContact OE2-NH1 2.89Å; E101-R103 VanDerWaalsContact C-N 3.35Å; E101-R103 PolarHBondContact O-N 3.22Å; R103-I105 VanDerWaalsContact C-N 3.31Å; R103-I105 PolarHBondContact O-N 3.35Å |
| 104 | S | 93.6 | Very high | 80.3 | Confident | 89 Ų | 89 | 71.9 Ų | 71.9 | 62% | 0.622 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -11.1 | 179.1 | 81 | 0 | 0 | 0 | 0 | 114.6 | E100 E101 L102 | E100-S104 PolarHBondContact O-N 2.89Å; E101-S104 WeakPolarHBondContact O-CB 3.26Å; E101-S104 PolarHBondContact O-N 3.18Å; E101-S104 VanDerWaalsContact O-N 3.14Å; E101-S104 PolarHBondContact O-OG 3.18Å; L102-S104 PolarHBondContact O-N 3.3Å |
| 105 | I | 91.6 | Very high | 78.3 | Confident | 18 Ų | 18 | 70.6 Ų | 70.6 | 9% | 0.092 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -65.5 | 125.3 | 179.6 | -61.3 | 179.9 | 0 | 0 | 0 | 109.5 | A35 W40 A74 L82 L102 R103 G107 | A35-I105 HydrophobicContact CB-CB 4.48Å; A35-I105 HydrophobicContact CB-CD1 4.03Å; A35-I105 HydrophobicContact CB-CG2 3.86Å; W40-I105 PolarHBondContact NE1-O 3.08Å; W40-I105 VanDerWaalsContact NE1-O 3.15Å; A74-I105 HydrophobicContact CB-CD1 3.52Å; L82-I105 HydrophobicContact CD1-CD1 4.46Å; L102-I105 HydrophobicContact CD1-CD1 3.86Å; L102-I105 WeakPolarHBondContact O-CB 3.48Å; L102-I105 WeakPolarHBondContact O-CG1 3.31Å; L102-I105 PolarHBondContact O-N 3.25Å; L102-I105 VanDerWaalsContact O-N 3.12Å; R103-I105 VanDerWaalsContact C-N 3.31Å; R103-I105 PolarHBondContact O-N 3.35Å; I105-G107 PolarHBondContact O-N 3.41Å |
| 106 | P | 84.7 | Confident | 76.9 | Confident | 78 Ų | 78 | 76.5 Ų | 76.5 | 51% | 0.506 | 43% | 0.427 | S | S | . | . | trans | -66.4 | 121.7 | -174.3 | 25.8 | -34.3 | 0 | 0 | 0 | 111.7 | E108 | P106-E108 VanDerWaalsContact C-N 3.29Å; P106-E108 PolarHBondContact O-N 3.27Å | ||
| 107 | G | 71.3 | Confident | 75.9 | Confident | 16 Ų | 16 | 71.3 Ų | 71.3 | 17% | 0.165 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -72.5 | -20.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | P37 S41 I105 | P37-G107 VanDerWaalsContact CB-O 3.26Å; P37-G107 WeakPolarHBondContact CB-O 3.05Å; P37-G107 VanDerWaalsContact CG-O 3.3Å; P37-G107 WeakPolarHBondContact CG-O 3.44Å; S41-G107 VanDerWaalsContact OG-CA 3.22Å; S41-G107 WeakPolarHBondContact OG-CA 3.49Å; S41-G107 PolarHBondContact OG-O 3.03Å; I105-G107 PolarHBondContact O-N 3.41Å |
| 108 | E | 63.1 | Low | 75.1 | Confident | 182 Ų | 182 | 68 Ų | 68 | 85% | 0.85 | 39% | 0.386 | S | S | * | . | trans | -111.8 | 94.3 | 179.6 | -64.1 | -178.4 | 179.2 | 0 | 0 | 109.6 | P106 | P106-E108 VanDerWaalsContact C-N 3.29Å; P106-E108 PolarHBondContact O-N 3.27Å | ||
| 109 | S | 58 | Low | 74.6 | Confident | 30 Ų | 30 | 72.9 Ų | 72.9 | 21% | 0.21 | 41% | 0.412 | C | S | . | . | trans | -138 | 136.9 | 166.8 | 66.2 | 0 | 0 | 0 | 0 | 111.1 | P37 I111 | P37-S109 WeakPolarHBondContact CG-OG 3.26Å; S109-I111 PolarHBondContact O-N 2.93Å; S109-I111 VanDerWaalsContact OG-CD1 3.31Å; S109-I111 WeakPolarHBondContact OG-CD1 3.49Å; S109-I111 WeakPolarHBondContact OG-CG1 3.26Å | ||
| 110 | C | 49.1 | Very low | 74.3 | Confident | 118 Ų | 118 | 74.6 Ų | 74.6 | 80% | 0.797 | 42% | 0.421 | S | S | * | . | trans | -75.6 | 69.9 | 178.8 | -168.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 111 | I | 54.7 | Low | 74 | Confident | 63 Ų | 63 | 69.8 Ų | 69.8 | 32% | 0.323 | 40% | 0.398 | S | S | . | . | trans | -97.4 | 100.9 | 175 | -56.5 | 173.1 | 0 | 0 | 0 | 108 | R77 S109 S113 | R77-I111 HydrophobicContact CG-CD1 3.65Å; S109-I111 PolarHBondContact O-N 2.93Å; S109-I111 VanDerWaalsContact OG-CD1 3.31Å; S109-I111 WeakPolarHBondContact OG-CD1 3.49Å; S109-I111 WeakPolarHBondContact OG-CG1 3.26Å; I111-S113 PolarHBondContact O-N 3.03Å | ||
| 112 | K | 47.7 | Very low | 73.8 | Confident | 200 Ų | 200 | 69.8 Ų | 69.8 | 87% | 0.87 | 39% | 0.394 | S | S | * | . | trans | -72 | 30.5 | 176.9 | -65.7 | -175.6 | 176.2 | -179.8 | 0 | 114 | ||||
| 113 | S | 52.2 | Low | 73.7 | Confident | 42 Ų | 42 | 73.8 Ų | 73.8 | 29% | 0.294 | 41% | 0.413 | S | S | . | . | trans | -134.8 | 54.8 | -170 | -148.9 | 0 | 0 | 0 | 0 | 114.2 | I111 A115 K116 | I111-S113 PolarHBondContact O-N 3.03Å; S113-A115 PolarHBondContact O-N 3.14Å; S113-K116 PolarHBondContact O-N 2.99Å; S113-K116 WeakPolarHBondContact OG-CG 3.36Å | ||
| 114 | A | 52.3 | Low | 73.8 | Confident | 86 Ų | 86 | 70.3 Ų | 70.3 | 71% | 0.711 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -55.3 | -26.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K116 G117 | A114-K116 PolarHBondContact O-N 3.23Å; A114-G117 PolarHBondContact O-N 3.46Å |
| 115 | A | 54.2 | Low | 73.9 | Confident | 96 Ų | 96 | 66.1 Ų | 66.1 | 79% | 0.793 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -66.5 | -11.2 | 178 | 0 | 0 | 0 | 0 | 0 | 115.1 | S113 | S113-A115 PolarHBondContact O-N 3.14Š|
| 116 | K | 68.4 | Low | 74 | Confident | 128 Ų | 128 | 67.1 Ų | 67.1 | 56% | 0.557 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -104.7 | -7.4 | 178.2 | -72.7 | -174.6 | 179 | -173.4 | 0 | 114.4 | S113 A114 G118 D119 L120 | S113-K116 PolarHBondContact O-N 2.99Å; S113-K116 WeakPolarHBondContact OG-CG 3.36Å; A114-K116 PolarHBondContact O-N 3.23Å; K116-G118 PolarHBondContact O-N 3.34Å; K116-D119 PolarHBondContact O-N 2.92Å; K116-L120 HydrophobicContact CB-CD1 4.48Å; K116-L120 VanDerWaalsContact O-CG 3.31Å; K116-L120 WeakPolarHBondContact O-CG 3.19Å; K116-L120 PolarHBondContact O-N 3.46Å; K116-L120 VanDerWaalsContact O-N 3.1Å |
| 117 | G | 74.9 | Confident | 74.5 | Confident | 3 Ų | 3 | 65.8 Ų | 65.8 | 3% | 0.031 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -56.6 | -47 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A114 D119 L120 L121 | A114-G117 PolarHBondContact O-N 3.46Å; G117-D119 PolarHBondContact O-N 3.26Å; G117-L120 PolarHBondContact O-N 2.81Å; G117-L121 WeakPolarHBondContact O-CB 3.4Å; G117-L121 WeakPolarHBondContact O-CG 3.25Å; G117-L121 PolarHBondContact O-N 3.46Å |
| 118 | G | 81.1 | Confident | 75.7 | Confident | 7 Ų | 7 | 65 Ų | 65 | 7% | 0.072 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61 | -39.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | K116 L121 R122 Q167 | K116-G118 PolarHBondContact O-N 3.34Å; G118-L121 PolarHBondContact O-N 2.8Å; G118-R122 WeakPolarHBondContact O-CB 3.4Å; G118-R122 PolarHBondContact O-N 3.08Å; G118-Q167 VanDerWaalsContact CA-OE1 3.28Å |
| 119 | D | 87.1 | Confident | 77.2 | Confident | 108 Ų | 108 | 56.5 Ų | 56.5 | 58% | 0.578 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -68.7 | -40.7 | 177.8 | -71.6 | -30.1 | 0 | 0 | 0 | 111.8 | K116 G117 L121 R122 Q123 | K116-D119 PolarHBondContact O-N 2.92Å; G117-D119 PolarHBondContact O-N 3.26Å; D119-L121 VanDerWaalsContact C-N 3.33Å; D119-R122 PolarHBondContact O-N 3.49Å; D119-Q123 WeakPolarHBondContact O-CB 3.28Å; D119-Q123 PolarHBondContact O-N 2.83Å |
| 120 | L | 90.8 | Very high | 79 | Confident | 37 Ų | 37 | 60.1 Ų | 60.1 | 19% | 0.194 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.3 | -38 | 176.9 | -60.1 | 173.4 | 0 | 0 | 0 | 111.2 | I75 K116 G117 Q123 A124 | I75-L120 HydrophobicContact CG2-CB 3.83Å; I75-L120 HydrophobicContact CG2-CD1 3.97Å; K116-L120 HydrophobicContact CB-CD1 4.48Å; K116-L120 VanDerWaalsContact O-CG 3.31Å; K116-L120 WeakPolarHBondContact O-CG 3.19Å; K116-L120 PolarHBondContact O-N 3.46Å; K116-L120 VanDerWaalsContact O-N 3.1Å; G117-L120 PolarHBondContact O-N 2.81Å; L120-Q123 PolarHBondContact O-N 3.24Å; L120-A124 WeakPolarHBondContact O-CB 3.3Å; L120-A124 PolarHBondContact O-N 3.04Å |
| 121 | L | 91.9 | Very high | 81.1 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.8 | -46.8 | 175.2 | -81.8 | 163.8 | 0 | 0 | 0 | 112.2 | I32 I75 G117 G118 D119 Q123 A124 V125 V155 L164 L168 | I32-L121 HydrophobicContact CG2-CD2 3.88Å; I75-L121 HydrophobicContact CD1-CB 4.14Å; I75-L121 HydrophobicContact CD1-CD2 3.27Å; I75-L121 HydrophobicContact CD1-CG 3.46Å; I75-L121 VanDerWaalsContact CD1-CG 3.46Å; G117-L121 WeakPolarHBondContact O-CB 3.4Å; G117-L121 WeakPolarHBondContact O-CG 3.25Å; G117-L121 PolarHBondContact O-N 3.46Å; G118-L121 PolarHBondContact O-N 2.8Å; D119-L121 VanDerWaalsContact C-N 3.33Å; L121-Q123 VanDerWaalsContact C-N 3.26Å; L121-Q123 PolarHBondContact O-N 2.88Å; L121-A124 PolarHBondContact O-N 2.95Å; L121-V125 WeakPolarHBondContact O-CG2 3.06Å; L121-V125 PolarHBondContact O-N 3.29Å; L121-V155 HydrophobicContact CD2-CG1 3.53Å; L121-L164 HydrophobicContact CD1-CD1 3.14Å; L121-L164 HydrophobicContact CD1-CD2 3.75Å; L121-L164 HydrophobicContact CD1-CG 3.89Å; L121-L168 HydrophobicContact CB-CD2 4.13Å |
| 122 | R | 92.6 | Very high | 82.9 | Confident | 92 Ų | 92 | 53.7 Ų | 53.7 | 35% | 0.347 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -53.1 | -48.4 | 171.4 | 174.8 | -161.5 | 166.8 | 152.6 | 7.4 | 110.4 | G118 D119 V125 L126 G171 L172 | G118-R122 WeakPolarHBondContact O-CB 3.4Å; G118-R122 PolarHBondContact O-N 3.08Å; D119-R122 PolarHBondContact O-N 3.49Å; R122-V125 PolarHBondContact O-N 3.44Å; R122-L126 HydrophobicContact CG-CD1 4.11Å; R122-L126 WeakPolarHBondContact O-CG 3.47Å; R122-L126 PolarHBondContact O-N 3.3Å; R122-G171 WeakPolarHBondContact CD-O 3.36Å; R122-G171 PolarHBondContact NE-O 3.02Å; R122-G171 PolarHBondContact NH1-O 3.33Å; R122-G171 VanDerWaalsContact NH1-O 3.12Å; R122-G171 PolarHBondContact NH2-O 3.42Å; R122-L172 HydrophobicContact CG-CD2 4.06Å |
| 123 | Q | 93.8 | Very high | 85 | Confident | 84 Ų | 84 | 46.6 Ų | 46.6 | 39% | 0.393 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.8 | -46.8 | 179.9 | -173.4 | 60.6 | 38.4 | 0 | 0 | 111.5 | P79 D119 L120 L121 V125 L126 D127 | P79-Q123 HydrophobicContact CG-CB 4.36Å; P79-Q123 HydrophobicContact CG-CG 4.08Å; D119-Q123 WeakPolarHBondContact O-CB 3.28Å; D119-Q123 PolarHBondContact O-N 2.83Å; L120-Q123 PolarHBondContact O-N 3.24Å; L121-Q123 VanDerWaalsContact C-N 3.26Å; L121-Q123 PolarHBondContact O-N 2.88Å; Q123-V125 VanDerWaalsContact C-N 3.33Å; Q123-V125 PolarHBondContact O-N 3.34Å; Q123-L126 PolarHBondContact O-N 3.29Å; Q123-D127 WeakPolarHBondContact CG-OD2 3.33Å; Q123-D127 PolarHBondContact NE2-OD1 2.83Å; Q123-D127 PolarHBondContact NE2-OD2 2.84Å; Q123-D127 VanDerWaalsContact NE2-OD2 3.14Å; Q123-D127 WeakPolarHBondContact O-CB 3.29Å; Q123-D127 VanDerWaalsContact O-CG 3.25Å; Q123-D127 PolarHBondContact O-N 3.34Å |
| 124 | A | 95.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.1 | -40.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I32 Y73 I75 P79 L120 L121 S128 | I32-A124 HydrophobicContact CD1-CB 3.97Å; I32-A124 HydrophobicContact CG2-CB 3.92Å; Y73-A124 HydrophobicContact CD1-CB 4.44Å; I75-A124 HydrophobicContact CD1-CB 4.04Å; I75-A124 HydrophobicContact CG1-CB 4.43Å; P79-A124 HydrophobicContact CB-CB 4.02Å; L120-A124 WeakPolarHBondContact O-CB 3.3Å; L120-A124 PolarHBondContact O-N 3.04Å; L121-A124 PolarHBondContact O-N 2.95Å; A124-S128 WeakPolarHBondContact O-CB 3.4Å; A124-S128 PolarHBondContact O-N 2.73Å; A124-S128 PolarHBondContact O-OG 2.81Å |
| 125 | V | 95.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.4 | -52.9 | 174.2 | 173.5 | 0 | 0 | 0 | 0 | 109.9 | I32 L121 R122 Q123 D127 S128 L129 V153 L168 L172 L183 | I32-V125 HydrophobicContact CD1-CB 4.35Å; I32-V125 HydrophobicContact CD1-CG2 3.61Å; L121-V125 WeakPolarHBondContact O-CG2 3.06Å; L121-V125 PolarHBondContact O-N 3.29Å; R122-V125 PolarHBondContact O-N 3.44Å; Q123-V125 VanDerWaalsContact C-N 3.33Å; Q123-V125 PolarHBondContact O-N 3.34Å; V125-D127 PolarHBondContact O-N 3.25Å; V125-S128 PolarHBondContact O-N 2.8Å; V125-S128 PolarHBondContact O-OG 3.45Å; V125-L129 HydrophobicContact CG1-CD1 4.37Å; V125-L129 WeakPolarHBondContact O-CG 3.45Å; V125-L129 PolarHBondContact O-N 3.18Å; V125-L129 VanDerWaalsContact O-N 3.09Å; V125-V153 HydrophobicContact CG2-CG1 4.35Å; V125-L168 HydrophobicContact CG2-CD2 4.41Å; V125-L172 HydrophobicContact CB-CD2 4.35Å; V125-L172 HydrophobicContact CG1-CD1 4.19Å; V125-L172 HydrophobicContact CG1-CD2 4.02Å; V125-L183 HydrophobicContact CG2-CD1 4.29Å |
| 126 | L | 95.2 | Very high | 90 | Very high | 40 Ų | 40 | 44.8 Ų | 44.8 | 21% | 0.209 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.1 | -42.3 | -178.4 | -65.2 | 176.7 | 0 | 0 | 0 | 112.6 | R122 Q123 S128 L129 Q130 L172 A175 L177 | R122-L126 HydrophobicContact CG-CD1 4.11Å; R122-L126 WeakPolarHBondContact O-CG 3.47Å; R122-L126 PolarHBondContact O-N 3.3Å; Q123-L126 PolarHBondContact O-N 3.29Å; L126-S128 VanDerWaalsContact C-N 3.33Å; L126-S128 PolarHBondContact O-N 2.92Å; L126-L129 PolarHBondContact O-N 2.95Å; L126-Q130 WeakPolarHBondContact O-CB 3.42Å; L126-Q130 PolarHBondContact O-N 3.3Å; L126-L172 HydrophobicContact CD2-CD2 3.81Å; L126-L172 HydrophobicContact CG-CD2 4.03Å; L126-A175 HydrophobicContact CD2-CB 3.56Å; L126-L177 HydrophobicContact CD2-CD2 4.47Å |
| 127 | D | 95.6 | Very high | 90.7 | Very high | 50 Ų | 50 | 48 Ų | 48 | 27% | 0.267 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.7 | -41.1 | 177.4 | -72.9 | -19.5 | 0 | 0 | 0 | 111.4 | Y73 Q123 V125 Q130 Q131 | Y73-D127 HydrophobicContact CE1-CB 4.2Å; Q123-D127 WeakPolarHBondContact CG-OD2 3.33Å; Q123-D127 PolarHBondContact NE2-OD1 2.83Å; Q123-D127 PolarHBondContact NE2-OD2 2.84Å; Q123-D127 VanDerWaalsContact NE2-OD2 3.14Å; Q123-D127 WeakPolarHBondContact O-CB 3.29Å; Q123-D127 VanDerWaalsContact O-CG 3.25Å; Q123-D127 PolarHBondContact O-N 3.34Å; V125-D127 PolarHBondContact O-N 3.25Å; D127-Q130 PolarHBondContact O-N 3.12Å; D127-Q131 VanDerWaalsContact O-CB 3.29Å; D127-Q131 WeakPolarHBondContact O-CB 3.43Å; D127-Q131 PolarHBondContact O-N 2.93Å |
| 128 | S | 96.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.4 | -40.1 | 176.8 | 78 | 0 | 0 | 0 | 0 | 112.4 | Y73 A124 V125 L126 Q131 F132 | Y73-S128 WeakPolarHBondContact OH-CA 3.49Å; A124-S128 WeakPolarHBondContact O-CB 3.4Å; A124-S128 PolarHBondContact O-N 2.73Å; A124-S128 PolarHBondContact O-OG 2.81Å; V125-S128 PolarHBondContact O-N 2.8Å; V125-S128 PolarHBondContact O-OG 3.45Å; L126-S128 VanDerWaalsContact C-N 3.33Å; L126-S128 PolarHBondContact O-N 2.92Å; S128-Q131 PolarHBondContact O-N 3.35Å; S128-F132 WeakPolarHBondContact O-CB 3.29Å; S128-F132 PolarHBondContact O-N 2.85Å |
| 129 | L | 94.7 | Very high | 90.6 | Very high | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.7 | -38.6 | 176.8 | -62.6 | -178.1 | 0 | 0 | 0 | 111.4 | V125 L126 F132 K133 V151 V153 L177 P179 L180 | V125-L129 HydrophobicContact CG1-CD1 4.37Å; V125-L129 WeakPolarHBondContact O-CG 3.45Å; V125-L129 PolarHBondContact O-N 3.18Å; V125-L129 VanDerWaalsContact O-N 3.09Å; L126-L129 PolarHBondContact O-N 2.95Å; L129-F132 PolarHBondContact O-N 3.43Å; L129-K133 WeakPolarHBondContact O-CG 3.47Å; L129-K133 PolarHBondContact O-N 3.39Å; L129-V151 HydrophobicContact CD2-CB 4.29Å; L129-V151 HydrophobicContact CD2-CG1 4.39Å; L129-V153 HydrophobicContact CD2-CG2 4.41Å; L129-L177 HydrophobicContact CD1-CD2 3.66Å; L129-P179 HydrophobicContact CB-CG 4.41Å; L129-P179 HydrophobicContact CD2-CG 4.23Å; L129-L180 HydrophobicContact CD1-CB 4.17Å; L129-L180 HydrophobicContact CD1-CD2 4.46Å; L129-L180 HydrophobicContact CD2-CB 4.08Å; L129-L180 HydrophobicContact CD2-CD1 4.2Å |
| 130 | Q | 94.1 | Very high | 89.5 | Confident | 106 Ų | 106 | 55.7 Ų | 55.7 | 50% | 0.495 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.5 | -44.7 | 174.2 | -178.7 | 173.9 | -20.7 | 0 | 0 | 111.4 | L126 D127 F132 K133 Q134 | L126-Q130 WeakPolarHBondContact O-CB 3.42Å; L126-Q130 PolarHBondContact O-N 3.3Å; D127-Q130 PolarHBondContact O-N 3.12Å; Q130-F132 VanDerWaalsContact C-N 3.26Å; Q130-F132 PolarHBondContact O-N 2.81Å; Q130-K133 PolarHBondContact O-N 3.46Å; Q130-Q134 WeakPolarHBondContact O-CG 3.24Å; Q130-Q134 PolarHBondContact O-N 3.42Å |
| 131 | Q | 94.1 | Very high | 87.6 | Confident | 37 Ų | 37 | 60.5 Ų | 60.5 | 17% | 0.173 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58 | -41.6 | 175.2 | -172.5 | -172.4 | 71.5 | 0 | 0 | 110.7 | S71 Y73 C81 F85 D127 S128 Q134 F135 | S71-Q131 PolarHBondContact OG-OE1 3.18Å; Y73-Q131 PolarHBondContact OH-OE1 3.44Å; C81-Q131 PolarHBondContact SG-NE2 3.48Å; F85-Q131 HydrophobicContact CD2-CB 4.45Å; F85-Q131 HydrophobicContact CD2-CG 3.97Å; F85-Q131 VanDerWaalsContact CD2-OE1 3.27Å; F85-Q131 HydrophobicContact CE2-CB 4.32Å; F85-Q131 HydrophobicContact CE2-CG 4.32Å; D127-Q131 VanDerWaalsContact O-CB 3.29Å; D127-Q131 WeakPolarHBondContact O-CB 3.43Å; D127-Q131 PolarHBondContact O-N 2.93Å; S128-Q131 PolarHBondContact O-N 3.35Å; Q131-Q134 PolarHBondContact O-N 3.28Å; Q131-F135 WeakPolarHBondContact O-CB 3.31Å; Q131-F135 PolarHBondContact O-N 3.21Å |
| 132 | F | 92.6 | Very high | 85.6 | Confident | 8 Ų | 8 | 63.3 Ų | 63.3 | 4% | 0.035 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.7 | -46.9 | 176.3 | -176.5 | -108.5 | 0 | 0 | 0 | 112.4 | A28 L69 F85 S128 L129 Q130 Q134 F135 I136 A149 V151 P179 | A28-F132 HydrophobicContact CB-CD2 4.06Å; A28-F132 HydrophobicContact CB-CE2 3.52Å; A28-F132 HydrophobicContact CB-CZ 4.3Å; L69-F132 HydrophobicContact CD1-CE2 4.46Å; F85-F132 HydrophobicContact CD2-CB 4.35Å; F85-F132 HydrophobicContact CD2-CD2 4.43Å; F85-F132 HydrophobicContact CE1-CD2 4.08Å; F85-F132 HydrophobicContact CE2-CB 3.52Å; F85-F132 AromaticContact CE2-CD2 4Å; F85-F132 HydrophobicContact CE2-CD2 4Å; F85-F132 HydrophobicContact CE2-CG 4.27Å; F85-F132 HydrophobicContact CZ-CB 3.79Å; F85-F132 AromaticContact CZ-CD2 3.78Å; F85-F132 HydrophobicContact CZ-CD2 3.78Å; F85-F132 HydrophobicContact CZ-CG 4.21Å; S128-F132 WeakPolarHBondContact O-CB 3.29Å; S128-F132 PolarHBondContact O-N 2.85Å; L129-F132 PolarHBondContact O-N 3.43Å; Q130-F132 VanDerWaalsContact C-N 3.26Å; Q130-F132 PolarHBondContact O-N 2.81Å; F132-Q134 VanDerWaalsContact C-N 3.25Å; F132-Q134 PolarHBondContact O-N 2.89Å; F132-F135 PolarHBondContact O-N 3.18Å; F132-I136 HydrophobicContact CD1-CG1 4.19Å; F132-I136 HydrophobicContact CD2-CG1 4.16Å; F132-I136 HydrophobicContact CE1-CD1 4.49Å; F132-I136 HydrophobicContact CE1-CG1 3.81Å; F132-I136 HydrophobicContact CE2-CD1 3.83Å; F132-I136 HydrophobicContact CE2-CG1 3.75Å; F132-I136 HydrophobicContact CG-CG1 4.38Å; F132-I136 HydrophobicContact CZ-CD1 3.8Å; F132-I136 HydrophobicContact CZ-CG1 3.6Å; F132-I136 WeakPolarHBondContact O-CG1 3.5Å; F132-I136 PolarHBondContact O-N 2.74Å; F132-A149 HydrophobicContact CE1-CB 4.06Å; F132-A149 HydrophobicContact CZ-CB 3.76Å; F132-V151 HydrophobicContact CB-CG2 3.83Å; F132-V151 HydrophobicContact CD1-CG2 3.21Å; F132-V151 HydrophobicContact CD2-CG2 3.48Å; F132-V151 VanDerWaalsContact CD2-CG2 3.48Å; F132-V151 HydrophobicContact CE1-CG2 3.44Å; F132-V151 VanDerWaalsContact CE1-CG2 3.44Å; F132-V151 HydrophobicContact CE2-CG2 3.71Å; F132-V151 HydrophobicContact CG-CG2 3.2Å; F132-V151 HydrophobicContact CZ-CG2 3.66Å; F132-P179 HydrophobicContact CD1-CB 4Å; F132-P179 HydrophobicContact CE1-CB 4.18Å |
| 133 | K | 90.9 | Very high | 83.2 | Confident | 52 Ų | 52 | 67.6 Ų | 67.6 | 23% | 0.226 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -56.7 | -42.3 | 176.4 | -72.3 | 172 | -169.8 | 175.6 | 0 | 111 | L129 Q130 R137 D176 P179 | L129-K133 WeakPolarHBondContact O-CG 3.47Å; L129-K133 PolarHBondContact O-N 3.39Å; Q130-K133 PolarHBondContact O-N 3.46Å; K133-R137 WeakPolarHBondContact O-CB 3.43Å; K133-R137 WeakPolarHBondContact O-CD 3.43Å; K133-R137 WeakPolarHBondContact O-CG 3.44Å; K133-R137 PolarHBondContact O-N 3.35Å; K133-D176 PolarHBondContact NZ-O 3.12Å; K133-D176 VanDerWaalsContact NZ-O 3.08Å; K133-D176 IonicContact NZ-OD1 2.78Å; K133-D176 PolarHBondContact NZ-OD1 3.46Å; K133-D176 IonicContact NZ-OD2 2.9Å; K133-D176 PolarHBondContact NZ-OD2 2.84Å; K133-P179 HydrophobicContact CG-CG 4.4Å |
| 134 | Q | 89.8 | Confident | 81 | Confident | 94 Ų | 94 | 72.2 Ų | 72.2 | 44% | 0.439 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67 | -47.3 | 176.3 | -70.4 | 176.7 | -9.5 | 0 | 0 | 111.6 | Q130 Q131 F132 I136 R137 H138 | Q130-Q134 WeakPolarHBondContact O-CG 3.24Å; Q130-Q134 PolarHBondContact O-N 3.42Å; Q131-Q134 PolarHBondContact O-N 3.28Å; F132-Q134 VanDerWaalsContact C-N 3.25Å; F132-Q134 PolarHBondContact O-N 2.89Å; Q134-I136 PolarHBondContact O-N 2.83Å; Q134-R137 PolarHBondContact O-N 3.33Å; Q134-H138 PolarHBondContact O-CD2 3.41Å; Q134-H138 PolarHBondContact O-N 3.31Å |
| 135 | F | 88.8 | Confident | 78.5 | Confident | 59 Ų | 59 | 75.9 Ų | 75.9 | 26% | 0.259 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -54.2 | -53.9 | 178.6 | -179.3 | -87.8 | 0 | 0 | 0 | 111.3 | L69 F85 Q131 F132 R137 H138 T139 | L69-F135 HydrophobicContact CD1-CD1 3.93Å; L69-F135 HydrophobicContact CD1-CE1 3.39Å; L69-F135 HydrophobicContact CD1-CZ 4.05Å; L69-F135 HydrophobicContact CD2-CE1 3.87Å; L69-F135 HydrophobicContact CD2-CZ 3.63Å; L69-F135 HydrophobicContact CG-CE1 4.29Å; F85-F135 HydrophobicContact CB-CD2 3.81Å; F85-F135 HydrophobicContact CB-CE2 4.09Å; F85-F135 HydrophobicContact CB-CG 4.09Å; Q131-F135 WeakPolarHBondContact O-CB 3.31Å; Q131-F135 PolarHBondContact O-N 3.21Å; F132-F135 PolarHBondContact O-N 3.18Å; F135-R137 VanDerWaalsContact C-N 3.31Å; F135-R137 PolarHBondContact O-N 2.83Å; F135-H138 PolarHBondContact O-N 3.38Å; F135-H138 VanDerWaalsContact O-N 3.14Å; F135-T139 HydrophobicContact CD1-CG2 4.23Å; F135-T139 HydrophobicContact CD2-CG2 4.47Å; F135-T139 HydrophobicContact CE1-CG2 3.81Å; F135-T139 HydrophobicContact CE2-CG2 4.11Å; F135-T139 HydrophobicContact CZ-CG2 3.76Å; F135-T139 WeakPolarHBondContact O-CG2 3.4Å; F135-T139 PolarHBondContact O-N 3.18Å; F135-T139 PolarHBondContact O-OG1 3.06Å; F135-T139 VanDerWaalsContact O-OG1 3.04Å |
| 136 | I | 85.1 | Confident | 76.3 | Confident | 33 Ų | 33 | 78.6 Ų | 78.6 | 17% | 0.169 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -61.3 | -39.7 | -179.4 | -63.6 | -64.7 | 0 | 0 | 0 | 111.4 | F132 Q134 H138 T139 S140 C146 A149 | F132-I136 HydrophobicContact CD1-CG1 4.19Å; F132-I136 HydrophobicContact CD2-CG1 4.16Å; F132-I136 HydrophobicContact CE1-CD1 4.49Å; F132-I136 HydrophobicContact CE1-CG1 3.81Å; F132-I136 HydrophobicContact CE2-CD1 3.83Å; F132-I136 HydrophobicContact CE2-CG1 3.75Å; F132-I136 HydrophobicContact CG-CG1 4.38Å; F132-I136 HydrophobicContact CZ-CD1 3.8Å; F132-I136 HydrophobicContact CZ-CG1 3.6Å; F132-I136 WeakPolarHBondContact O-CG1 3.5Å; F132-I136 PolarHBondContact O-N 2.74Å; Q134-I136 PolarHBondContact O-N 2.83Å; I136-H138 VanDerWaalsContact C-N 3.34Å; I136-H138 PolarHBondContact O-N 3.05Å; I136-T139 PolarHBondContact O-OG1 3.25Å; I136-S140 VanDerWaalsContact O-CB 3.24Å; I136-S140 WeakPolarHBondContact O-CB 3.37Å; I136-S140 PolarHBondContact O-N 3.02Å; I136-S140 VanDerWaalsContact O-N 3.11Å; I136-S140 PolarHBondContact O-OG 2.79Å; I136-C146 HydrophobicContact CG2-CB 4.11Å; I136-A149 HydrophobicContact CD1-CB 4.06Å; I136-A149 HydrophobicContact CG1-CB 4.3Å |
| 137 | R | 83.3 | Confident | 74.1 | Confident | 194 Ų | 194 | 81.1 Ų | 81.1 | 73% | 0.732 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -61.6 | -40 | 176.5 | -76.2 | 171.3 | -177.1 | -170.1 | 1.6 | 112.4 | K133 Q134 F135 | K133-R137 WeakPolarHBondContact O-CB 3.43Å; K133-R137 WeakPolarHBondContact O-CD 3.43Å; K133-R137 WeakPolarHBondContact O-CG 3.44Å; K133-R137 PolarHBondContact O-N 3.35Å; Q134-R137 PolarHBondContact O-N 3.33Å; F135-R137 VanDerWaalsContact C-N 3.31Å; F135-R137 PolarHBondContact O-N 2.83Å |
| 138 | H | 79.8 | Confident | 72.3 | Confident | 152 Ų | 152 | 83.9 Ų | 83.9 | 70% | 0.704 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -79.2 | -32.7 | -178.3 | -75.4 | -66.2 | 0 | 0 | 0 | 113.5 | Q134 F135 I136 | Q134-H138 PolarHBondContact O-CD2 3.41Å; Q134-H138 PolarHBondContact O-N 3.31Å; F135-H138 PolarHBondContact O-N 3.38Å; F135-H138 VanDerWaalsContact O-N 3.14Å; I136-H138 VanDerWaalsContact C-N 3.34Å; I136-H138 PolarHBondContact O-N 3.05Å |
| 139 | T | 73.9 | Confident | 71.4 | Confident | 77 Ų | 77 | 85.1 Ų | 85.1 | 47% | 0.472 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -82.8 | -18.5 | 179.7 | 56 | 0 | 0 | 0 | 0 | 113.5 | F135 I136 T141 | F135-T139 HydrophobicContact CD1-CG2 4.23Å; F135-T139 HydrophobicContact CD2-CG2 4.47Å; F135-T139 HydrophobicContact CE1-CG2 3.81Å; F135-T139 HydrophobicContact CE2-CG2 4.11Å; F135-T139 HydrophobicContact CZ-CG2 3.76Å; F135-T139 WeakPolarHBondContact O-CG2 3.4Å; F135-T139 PolarHBondContact O-N 3.18Å; F135-T139 PolarHBondContact O-OG1 3.06Å; F135-T139 VanDerWaalsContact O-OG1 3.04Å; I136-T139 PolarHBondContact O-OG1 3.25Å; T139-T141 VanDerWaalsContact C-N 3.33Å; T139-T141 PolarHBondContact O-N 3.25Å; T139-T141 VanDerWaalsContact O-N 3.07Å |
| 140 | S | 64.6 | Low | 71 | Confident | 52 Ų | 52 | 86.1 Ų | 86.1 | 36% | 0.364 | 47% | 0.474 | S | S | . | . | trans | -85 | 67 | -179 | -54.8 | 0 | 0 | 0 | 0 | 112 | I136 G142 | I136-S140 VanDerWaalsContact O-CB 3.24Å; I136-S140 WeakPolarHBondContact O-CB 3.37Å; I136-S140 PolarHBondContact O-N 3.02Å; I136-S140 VanDerWaalsContact O-N 3.11Å; I136-S140 PolarHBondContact O-OG 2.79Å; S140-G142 PolarHBondContact O-N 3.09Å | ||
| 141 | T | 52.2 | Low | 70.8 | Confident | 138 Ų | 138 | 81 Ų | 81 | 85% | 0.847 | 45% | 0.451 | S | S | * | . | trans | -93.5 | 87.1 | 170.8 | 32.1 | 0 | 0 | 0 | 0 | 110.2 | T139 | T139-T141 VanDerWaalsContact C-N 3.33Å; T139-T141 PolarHBondContact O-N 3.25Å; T139-T141 VanDerWaalsContact O-N 3.07Å | ||
| 142 | G | 48.5 | Very low | 70.8 | Confident | 58 Ų | 58 | 79.6 Ų | 79.6 | 60% | 0.598 | 44% | 0.444 | S | S | * | . | S | Bend | trans | 145.7 | 146.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | S140 Q144 | S140-G142 PolarHBondContact O-N 3.09Å; G142-Q144 PolarHBondContact O-N 2.95Å |
| 143 | N | 42 | Very low | 71 | Confident | 182 Ų | 182 | 79.2 Ų | 79.2 | 97% | 0.973 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -61.2 | 25.2 | -168.1 | -112.2 | 6.2 | 0 | 0 | 0 | 117.7 | ||
| 144 | Q | 48.3 | Very low | 71.3 | Confident | 182 Ų | 182 | 76.9 Ų | 76.9 | 85% | 0.85 | 43% | 0.433 | S | S | * | . | trans | -110.7 | 89.3 | 167.7 | -69.4 | -174 | 16.8 | 0 | 0 | 109 | G142 C146 | G142-Q144 PolarHBondContact O-N 2.95Å; Q144-C146 PolarHBondContact O-N 3.01Å | ||
| 145 | A | 43.3 | Very low | 71.7 | Confident | 76 Ų | 76 | 72.4 Ų | 72.4 | 63% | 0.628 | 41% | 0.412 | S | S | * | . | trans | -54 | 122.1 | 176 | 0 | 0 | 0 | 0 | 0 | 110.8 | S147 | A145-S147 PolarHBondContact O-N 3.06Š| ||
| 146 | C | 49.8 | Very low | 72.1 | Confident | 57 Ų | 57 | 69.8 Ų | 69.8 | 39% | 0.385 | 40% | 0.4 | S | S | . | . | trans | -72.4 | 54.7 | 166.2 | -145.5 | 0 | 0 | 0 | 0 | 109.7 | I136 Q144 N148 A149 | I136-C146 HydrophobicContact CG2-CB 4.11Å; Q144-C146 PolarHBondContact O-N 3.01Å; C146-N148 PolarHBondContact O-N 3.02Å; C146-A149 HydrophobicContact CB-CB 4.36Å; C146-A149 PolarHBondContact O-N 3.21Å | ||
| 147 | S | 49.5 | Very low | 72.4 | Confident | 93 Ų | 93 | 68.3 Ų | 68.3 | 65% | 0.65 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -9.6 | -167.2 | 73.8 | 0 | 0 | 0 | 0 | 114.5 | A145 | A145-S147 PolarHBondContact O-N 3.06Š|
| 148 | N | 57.9 | Low | 72.8 | Confident | 108 Ų | 108 | 60.5 Ų | 60.5 | 58% | 0.578 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.8 | 37 | 178.9 | -33.7 | -6.2 | 0 | 0 | 0 | 110.6 | R25 C146 | R25-N148 PolarHBondContact NH1-OD1 3.23Å; C146-N148 PolarHBondContact O-N 3.02Å |
| 149 | A | 76.3 | Confident | 73.1 | Confident | 26 Ų | 26 | 56.4 Ų | 56.4 | 22% | 0.215 | 35% | 0.349 | C | S | . | . | trans | -72.9 | 125.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | F132 I136 C146 | F132-A149 HydrophobicContact CE1-CB 4.06Å; F132-A149 HydrophobicContact CZ-CB 3.76Å; I136-A149 HydrophobicContact CD1-CB 4.06Å; I136-A149 HydrophobicContact CG1-CB 4.3Å; C146-A149 HydrophobicContact CB-CB 4.36Å; C146-A149 PolarHBondContact O-N 3.21Å | ||
| 150 | S | 86.4 | Confident | 73.8 | Confident | 24 Ų | 24 | 56.3 Ų | 56.3 | 17% | 0.168 | 35% | 0.35 | C | S | . | . | trans | -126 | 163 | -179.5 | 60.8 | 0 | 0 | 0 | 0 | 111.9 | A27 A28 P179 | A27-S150 WeakPolarHBondContact CA-O 3.47Å; A28-S150 PolarHBondContact N-O 3.24Å; S150-P179 CarbonylContact C-O 3.53Å; S150-P179 WeakPolarHBondContact CA-O 3.35Å | ||
| 151 | V | 91 | Very high | 74.8 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 138 | -179.1 | -176.5 | 0 | 0 | 0 | 0 | 109.1 | A28 V30 L129 F132 V153 P179 R181 | A28-V151 HydrophobicContact CB-CG2 4.37Å; A28-V151 WeakPolarHBondContact O-CA 3.4Å; V30-V151 HydrophobicContact CB-CG1 4.41Å; V30-V151 HydrophobicContact CG2-CG1 3.54Å; L129-V151 HydrophobicContact CD2-CB 4.29Å; L129-V151 HydrophobicContact CD2-CG1 4.39Å; F132-V151 HydrophobicContact CB-CG2 3.83Å; F132-V151 HydrophobicContact CD1-CG2 3.21Å; F132-V151 HydrophobicContact CD2-CG2 3.48Å; F132-V151 VanDerWaalsContact CD2-CG2 3.48Å; F132-V151 HydrophobicContact CE1-CG2 3.44Å; F132-V151 VanDerWaalsContact CE1-CG2 3.44Å; F132-V151 HydrophobicContact CE2-CG2 3.71Å; F132-V151 HydrophobicContact CG-CG2 3.2Å; F132-V151 HydrophobicContact CZ-CG2 3.66Å; V151-V153 HydrophobicContact CG1-CG2 4.01Å; V151-P179 PolarHBondContact N-O 3.21Å; V151-R181 PolarHBondContact O-N 2.81Å |
| 152 | E | 93.1 | Very high | 76.6 | Confident | 6 Ų | 6 | 56.2 Ų | 56.2 | 3% | 0.028 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 125.8 | 165.6 | -66.4 | -177.6 | -143.9 | 0 | 0 | 108.8 | A27 A28 R29 V30 R181 R182 | A27-E152 HydrophobicContact CB-CB 4.43Å; A27-E152 HydrophobicContact CB-CG 3.77Å; A28-E152 PolarHBondContact O-N 3.15Å; R29-E152 IonicContact CZ-OE2 3.47Å; R29-E152 VanDerWaalsContact NH1-CD 3.35Å; R29-E152 IonicContact NH1-OE2 3.64Å; R29-E152 PolarHBondContact NH1-OE2 3.36Å; R29-E152 IonicContact NH2-OE1 3.83Å; R29-E152 PolarHBondContact NH2-OE1 3.23Å; R29-E152 IonicContact NH2-OE2 2.85Å; R29-E152 PolarHBondContact NH2-OE2 3.21Å; V30-E152 PolarHBondContact N-O 2.93Å; E152-R181 HydrophobicContact CG-CB 4.1Å; E152-R181 HydrophobicContact CG-CG 4.35Å; E152-R181 IonicContact OE1-NE 3.56Å; E152-R182 WeakPolarHBondContact CA-O 3.36Å; E152-R182 HydrophobicContact CB-CB 4.34Å; E152-R182 HydrophobicContact CG-CB 3.86Å |
| 153 | V | 96.4 | Very high | 78.4 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 129.7 | -177.8 | -179.9 | 0 | 0 | 0 | 0 | 108.7 | V30 I32 V125 L129 V151 V155 L180 R182 L183 L184 | V30-V153 HydrophobicContact CB-CB 4.42Å; V30-V153 HydrophobicContact CB-CG1 4.35Å; V30-V153 HydrophobicContact CB-CG2 4.02Å; V30-V153 HydrophobicContact CG1-CG1 4.31Å; V30-V153 HydrophobicContact CG2-CG2 4.36Å; V30-V153 WeakPolarHBondContact O-CA 3.38Å; I32-V153 HydrophobicContact CD1-CG1 3.69Å; I32-V153 HydrophobicContact CG1-CG1 4.12Å; V125-V153 HydrophobicContact CG2-CG1 4.35Å; L129-V153 HydrophobicContact CD2-CG2 4.41Å; V151-V153 HydrophobicContact CG1-CG2 4.01Å; V153-V155 HydrophobicContact CG1-CG2 4.42Å; V153-L180 HydrophobicContact CB-CD1 4.02Å; V153-L180 HydrophobicContact CG2-CD1 3.48Å; V153-L180 VanDerWaalsContact CG2-CD1 3.48Å; V153-R182 PolarHBondContact N-O 2.94Å; V153-L183 HydrophobicContact CB-CD1 3.59Å; V153-L183 HydrophobicContact CG1-CD1 3.51Å; V153-L183 WeakPolarHBondContact O-CA 3.48Å; V153-L184 PolarHBondContact O-N 3.06Å |
| 154 | T | 97.8 | Very high | 80.6 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.018 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 122.6 | 172.9 | -57.3 | 0 | 0 | 0 | 0 | 109.1 | V30 L31 I32 V156 L184 V186 W242 | V30-T154 PolarHBondContact O-N 3.21Å; L31-T154 CarbonylContact C-O 3.54Å; L31-T154 WeakPolarHBondContact CA-O 3.41Å; L31-T154 HydrophobicContact CD1-CG2 4.26Å; I32-T154 PolarHBondContact N-O 2.91Å; T154-V156 HydrophobicContact CG2-CG2 4.44Å; T154-L184 CarbonylContact C-O 3.59Å; T154-L184 VanDerWaalsContact CA-O 3.31Å; T154-L184 WeakPolarHBondContact CA-O 3.41Å; T154-L184 HydrophobicContact CG2-CD2 4.27Å; T154-L184 HydrophobicContact CG2-CG 4.49Å; T154-V186 HydrophobicContact CG2-CG2 3.61Å; T154-W242 HydrophobicContact CG2-CZ2 4.17Å |
| 155 | V | 97.3 | Very high | 82.6 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 121.3 | 176.1 | 177.1 | 0 | 0 | 0 | 0 | 108.2 | I32 L121 V153 L164 L183 L184 V185 V186 | I32-V155 HydrophobicContact CB-CG2 4.27Å; I32-V155 HydrophobicContact CD1-CG2 4.41Å; I32-V155 CarbonylContact O-C 3.58Å; I32-V155 VanDerWaalsContact O-CA 3.31Å; I32-V155 WeakPolarHBondContact O-CA 3.46Å; L121-V155 HydrophobicContact CD2-CG1 3.53Å; V153-V155 HydrophobicContact CG1-CG2 4.42Å; V155-L164 HydrophobicContact CG1-CD2 4.11Å; V155-L183 HydrophobicContact CG2-CD1 4.06Å; V155-L184 PolarHBondContact N-O 2.85Å; V155-V185 HydrophobicContact CB-CG2 4.37Å; V155-V185 CarbonylContact O-C 3.6Å; V155-V185 WeakPolarHBondContact O-CA 3.28Å; V155-V186 PolarHBondContact O-N 3.24Å |
| 156 | V | 96.9 | Very high | 84.8 | Confident | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.024 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 127.5 | 175.4 | -179.6 | 0 | 0 | 0 | 0 | 109.1 | L31 I32 E34 L47 T154 V186 I188 M235 | L31-V156 HydrophobicContact CD1-CG2 3.64Å; I32-V156 PolarHBondContact O-N 2.93Å; E34-V156 WeakPolarHBondContact CB-O 3.32Å; E34-V156 PolarHBondContact N-O 2.98Å; L47-V156 HydrophobicContact CD1-CG1 4.4Å; L47-V156 HydrophobicContact CD1-CG2 4.48Å; L47-V156 HydrophobicContact CD2-CG1 4.14Å; T154-V156 HydrophobicContact CG2-CG2 4.44Å; V156-V186 WeakPolarHBondContact CA-O 3.47Å; V156-V186 HydrophobicContact CG2-CB 4.25Å; V156-I188 HydrophobicContact CG1-CD1 3.58Å; V156-I188 HydrophobicContact CG1-CG1 4.06Å; V156-M235 HydrophobicContact CG2-CE 3.73Å |
| 157 | T | 93.3 | Very high | 86.6 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 149.7 | -175 | 175.5 | 0 | 0 | 0 | 0 | 111.5 | E34 Q159 L164 V185 V186 Q187 I188 | E34-T157 WeakPolarHBondContact OE2-CB 3.27Å; E34-T157 PolarHBondContact OE2-OG1 3.45Å; T157-Q159 WeakPolarHBondContact OG1-CB 3.4Å; T157-Q159 PolarHBondContact OG1-N 3.2Å; T157-L164 HydrophobicContact CG2-CD2 3.78Å; T157-V185 HydrophobicContact CG2-CG1 3.85Å; T157-V186 PolarHBondContact N-O 2.97Å; T157-Q187 HydrophobicContact CG2-CB 4.43Å; T157-Q187 CarbonylContact O-C 3.59Å; T157-Q187 WeakPolarHBondContact O-CA 3.45Å; T157-I188 PolarHBondContact O-N 2.69Å |
| 158 | S | 90.4 | Very high | 88.6 | Confident | 30 Ų | 30 | 39.2 Ų | 39.2 | 21% | 0.21 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -96.1 | -7.4 | 166.4 | -59.6 | 0 | 0 | 0 | 0 | 112.6 | G39 T43 | G39-S158 PolarHBondContact O-OG 3.14Å; T43-S158 VanDerWaalsContact CG2-OG 3.31Å; T43-S158 WeakPolarHBondContact CG2-OG 3.31Å; T43-S158 PolarHBondContact OG1-OG 2.91Å |
| 159 | Q | 86.9 | Confident | 90.2 | Very high | 67 Ų | 67 | 35.6 Ų | 35.6 | 31% | 0.313 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -79.7 | 162.4 | 179.9 | -61 | -63.7 | -29.6 | 0 | 0 | 111 | E34 T157 G161 Q187 | E34-Q159 WeakPolarHBondContact OE2-CG 3.32Å; T157-Q159 WeakPolarHBondContact OG1-CB 3.4Å; T157-Q159 PolarHBondContact OG1-N 3.2Å; Q159-G161 PolarHBondContact O-N 2.82Å; Q159-Q187 WeakPolarHBondContact O-CG 3.14Å |
| 160 | P | 87.4 | Confident | 90.7 | Very high | 74 Ų | 74 | 38.2 Ų | 38.2 | 48% | 0.481 | 20% | 0.199 | S | C | . | . | trans | -56.6 | 112.4 | 173.8 | -23.8 | 34.4 | 0 | 0 | 0 | 111.6 | R162 S163 L164 | P160-R162 VanDerWaalsContact C-N 3.3Å; P160-R162 PolarHBondContact O-N 2.97Å; P160-S163 PolarHBondContact O-N 2.71Å; P160-S163 PolarHBondContact O-OG 2.83Å; P160-L164 PolarHBondContact O-N 3.43Å | ||
| 161 | G | 86.9 | Confident | 90.7 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.9 | -28.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q159 L164 I165 | Q159-G161 PolarHBondContact O-N 2.82Å; G161-L164 WeakPolarHBondContact O-CB 3.2Å; G161-L164 PolarHBondContact O-N 3.14Å; G161-I165 WeakPolarHBondContact O-CG1 3.43Å; G161-I165 PolarHBondContact O-N 3.45Å |
| 162 | R | 88.5 | Confident | 90.7 | Very high | 188 Ų | 188 | 37.5 Ų | 37.5 | 71% | 0.709 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -63.3 | -44.5 | 178.5 | -68.7 | -172.6 | 179.7 | -177.6 | -1 | 112.9 | P160 L164 I165 H166 L225 | P160-R162 VanDerWaalsContact C-N 3.3Å; P160-R162 PolarHBondContact O-N 2.97Å; R162-L164 PolarHBondContact O-N 2.79Å; R162-I165 PolarHBondContact O-N 2.76Å; R162-H166 PolarHBondContact O-CD2 3.47Å; R162-H166 VanDerWaalsContact O-CD2 3.3Å; R162-H166 PolarHBondContact O-N 3.32Å; R162-L225 HydrophobicContact CG-CD2 3.76Å |
| 163 | S | 86.6 | Confident | 90.5 | Very high | 58 Ų | 58 | 43.7 Ų | 43.7 | 41% | 0.406 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.8 | -35.3 | 175.1 | 40.5 | 0 | 0 | 0 | 0 | 111.5 | P160 H166 Q167 | P160-S163 PolarHBondContact O-N 2.71Å; P160-S163 PolarHBondContact O-OG 2.83Å; S163-H166 PolarHBondContact O-N 3.24Å; S163-Q167 WeakPolarHBondContact O-CG 3.24Å; S163-Q167 PolarHBondContact O-N 3.35Å; S163-Q167 VanDerWaalsContact O-N 3.12Å |
| 164 | L | 88.3 | Confident | 89.9 | Confident | 6 Ų | 6 | 47.7 Ų | 47.7 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.1 | -40.4 | 179.2 | -166.1 | 68.7 | 0 | 0 | 0 | 112.2 | L121 V155 T157 P160 G161 R162 Q167 L168 V185 | L121-L164 HydrophobicContact CD1-CD1 3.14Å; L121-L164 HydrophobicContact CD1-CD2 3.75Å; L121-L164 HydrophobicContact CD1-CG 3.89Å; V155-L164 HydrophobicContact CG1-CD2 4.11Å; T157-L164 HydrophobicContact CG2-CD2 3.78Å; P160-L164 PolarHBondContact O-N 3.43Å; G161-L164 WeakPolarHBondContact O-CB 3.2Å; G161-L164 PolarHBondContact O-N 3.14Å; R162-L164 PolarHBondContact O-N 2.79Å; L164-Q167 PolarHBondContact O-N 3.21Å; L164-L168 HydrophobicContact CG-CD1 4.23Å; L164-L168 WeakPolarHBondContact O-CB 3.48Å; L164-L168 WeakPolarHBondContact O-CG 3.34Å; L164-L168 PolarHBondContact O-N 2.78Å; L164-V185 HydrophobicContact CD2-CG1 3.96Å |
| 165 | I | 90.6 | Very high | 89.4 | Confident | 17 Ų | 17 | 49.1 Ų | 49.1 | 9% | 0.087 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.5 | -50 | 174.5 | -73.8 | 166.2 | 0 | 0 | 0 | 110.4 | G161 R162 Q167 L168 E169 V185 V223 L225 | G161-I165 WeakPolarHBondContact O-CG1 3.43Å; G161-I165 PolarHBondContact O-N 3.45Å; R162-I165 PolarHBondContact O-N 2.76Å; I165-Q167 VanDerWaalsContact C-N 3.26Å; I165-Q167 PolarHBondContact O-N 2.87Å; I165-L168 PolarHBondContact O-N 2.96Å; I165-E169 HydrophobicContact CG2-CG 4.03Å; I165-E169 WeakPolarHBondContact O-CB 3.32Å; I165-E169 WeakPolarHBondContact O-CG 3.37Å; I165-E169 PolarHBondContact O-N 3.38Å; I165-V185 HydrophobicContact CD1-CB 4.44Å; I165-V185 HydrophobicContact CG1-CB 4.24Å; I165-V185 HydrophobicContact CG1-CG2 3.89Å; I165-V223 HydrophobicContact CB-CG1 4.5Å; I165-V223 HydrophobicContact CG1-CG1 3.87Å; I165-V223 HydrophobicContact CG2-CB 4.15Å; I165-V223 HydrophobicContact CG2-CG1 4.24Å; I165-L225 HydrophobicContact CD1-CB 3.46Å; I165-L225 VanDerWaalsContact CD1-CB 3.46Å; I165-L225 HydrophobicContact CD1-CD1 3.99Å; I165-L225 HydrophobicContact CD1-CD2 4.24Å; I165-L225 HydrophobicContact CD1-CG 4.07Å |
| 166 | H | 88.8 | Confident | 88.9 | Confident | 119 Ų | 119 | 53.6 Ų | 53.6 | 55% | 0.551 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -60.2 | -35.6 | 177.9 | -69.8 | -44.3 | 0 | 0 | 0 | 113.2 | R162 S163 E169 S170 | R162-H166 PolarHBondContact O-CD2 3.47Å; R162-H166 VanDerWaalsContact O-CD2 3.3Å; R162-H166 PolarHBondContact O-N 3.32Å; S163-H166 PolarHBondContact O-N 3.24Å; H166-E169 IonicContact ND1-OE2 3.27Å; H166-E169 PolarHBondContact ND1-OE2 3.25Å; H166-S170 VanDerWaalsContact O-CB 3.3Å; H166-S170 WeakPolarHBondContact O-CB 3.32Å; H166-S170 PolarHBondContact O-N 3.24Å; H166-S170 VanDerWaalsContact O-N 3.08Å; H166-S170 PolarHBondContact O-OG 3.37Å |
| 167 | Q | 88.6 | Confident | 88.6 | Confident | 91 Ų | 91 | 54.4 Ų | 54.4 | 43% | 0.425 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68.5 | -40.5 | 174.6 | -71.8 | 174.8 | 1.4 | 0 | 0 | 112.1 | G118 S163 L164 I165 S170 G171 | G118-Q167 VanDerWaalsContact CA-OE1 3.28Å; S163-Q167 WeakPolarHBondContact O-CG 3.24Å; S163-Q167 PolarHBondContact O-N 3.35Å; S163-Q167 VanDerWaalsContact O-N 3.12Å; L164-Q167 PolarHBondContact O-N 3.21Å; I165-Q167 VanDerWaalsContact C-N 3.26Å; I165-Q167 PolarHBondContact O-N 2.87Å; Q167-S170 PolarHBondContact O-OG 3.02Å; Q167-S170 VanDerWaalsContact O-OG 3.1Å; Q167-G171 WeakPolarHBondContact O-CA 3.42Å; Q167-G171 PolarHBondContact O-N 2.95Å |
| 168 | L | 91.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.9 | -45.6 | 176.5 | -74.5 | 170.2 | 0 | 0 | 0 | 111.9 | L121 V125 L164 I165 S170 G171 L172 L183 V185 | L121-L168 HydrophobicContact CB-CD2 4.13Å; V125-L168 HydrophobicContact CG2-CD2 4.41Å; L164-L168 HydrophobicContact CG-CD1 4.23Å; L164-L168 WeakPolarHBondContact O-CB 3.48Å; L164-L168 WeakPolarHBondContact O-CG 3.34Å; L164-L168 PolarHBondContact O-N 2.78Å; I165-L168 PolarHBondContact O-N 2.96Å; L168-S170 PolarHBondContact O-N 2.98Å; L168-G171 PolarHBondContact O-N 3.12Å; L168-L172 HydrophobicContact CB-CD1 4.43Å; L168-L172 HydrophobicContact CD2-CD1 4.47Å; L168-L172 WeakPolarHBondContact O-CB 3.49Å; L168-L172 WeakPolarHBondContact O-CG 3.31Å; L168-L172 PolarHBondContact O-N 3.25Å; L168-L183 HydrophobicContact CD1-CD2 4.4Å; L168-V185 HydrophobicContact CD1-CG2 3.91Å |
| 169 | E | 90.6 | Very high | 88.1 | Confident | 32 Ų | 32 | 59.8 Ų | 59.8 | 15% | 0.15 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.6 | -47.7 | 176.7 | -71.6 | 176.6 | 136.2 | 0 | 0 | 111.3 | I165 H166 K173 S216 V223 | I165-E169 HydrophobicContact CG2-CG 4.03Å; I165-E169 WeakPolarHBondContact O-CB 3.32Å; I165-E169 WeakPolarHBondContact O-CG 3.37Å; I165-E169 PolarHBondContact O-N 3.38Å; H166-E169 IonicContact ND1-OE2 3.27Å; H166-E169 PolarHBondContact ND1-OE2 3.25Å; E169-K173 PolarHBondContact O-N 2.79Å; E169-S216 PolarHBondContact OE1-OG 3.07Å; E169-V223 HydrophobicContact CG-CG2 4.06Å |
| 170 | S | 87.6 | Confident | 88.3 | Confident | 81 Ų | 81 | 57.1 Ų | 57.1 | 57% | 0.566 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -69 | -40.3 | 178.2 | 59.2 | 0 | 0 | 0 | 0 | 112.3 | H166 Q167 L168 K173 | H166-S170 VanDerWaalsContact O-CB 3.3Å; H166-S170 WeakPolarHBondContact O-CB 3.32Å; H166-S170 PolarHBondContact O-N 3.24Å; H166-S170 VanDerWaalsContact O-N 3.08Å; H166-S170 PolarHBondContact O-OG 3.37Å; Q167-S170 PolarHBondContact O-OG 3.02Å; Q167-S170 VanDerWaalsContact O-OG 3.1Å; L168-S170 PolarHBondContact O-N 2.98Å; S170-K173 WeakPolarHBondContact O-CB 3.37Å |
| 171 | G | 87.3 | Confident | 88.3 | Confident | 9 Ų | 9 | 57.6 Ų | 57.6 | 9% | 0.093 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -70.4 | -35.7 | 180 | 0 | 0 | 0 | 0 | 0 | 113.7 | R122 Q167 L168 K173 | R122-G171 WeakPolarHBondContact CD-O 3.36Å; R122-G171 PolarHBondContact NE-O 3.02Å; R122-G171 PolarHBondContact NH1-O 3.33Å; R122-G171 VanDerWaalsContact NH1-O 3.12Å; R122-G171 PolarHBondContact NH2-O 3.42Å; Q167-G171 WeakPolarHBondContact O-CA 3.42Å; Q167-G171 PolarHBondContact O-N 2.95Å; L168-G171 PolarHBondContact O-N 3.12Å; G171-K173 VanDerWaalsContact C-N 3.32Å |
| 172 | L | 90.6 | Very high | 88.4 | Confident | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -86.8 | -4 | -179 | -63.3 | 172.2 | 0 | 0 | 0 | 112.8 | R122 V125 L126 L168 G174 A175 L177 L183 L219 | R122-L172 HydrophobicContact CG-CD2 4.06Å; V125-L172 HydrophobicContact CB-CD2 4.35Å; V125-L172 HydrophobicContact CG1-CD1 4.19Å; V125-L172 HydrophobicContact CG1-CD2 4.02Å; L126-L172 HydrophobicContact CD2-CD2 3.81Å; L126-L172 HydrophobicContact CG-CD2 4.03Å; L168-L172 HydrophobicContact CB-CD1 4.43Å; L168-L172 HydrophobicContact CD2-CD1 4.47Å; L168-L172 WeakPolarHBondContact O-CB 3.49Å; L168-L172 WeakPolarHBondContact O-CG 3.31Å; L168-L172 PolarHBondContact O-N 3.25Å; L172-G174 PolarHBondContact O-N 3.3Å; L172-A175 WeakPolarHBondContact O-CB 3.41Å; L172-A175 PolarHBondContact O-N 2.87Å; L172-L177 HydrophobicContact CB-CD1 4.25Å; L172-L177 HydrophobicContact CD2-CD2 4.35Å; L172-L183 HydrophobicContact CD1-CD2 3.73Å; L172-L219 HydrophobicContact CB-CD2 4.03Å |
| 173 | K | 88.1 | Confident | 88.7 | Confident | 135 Ų | 135 | 52.5 Ų | 52.5 | 59% | 0.587 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 120.6 | 176.7 | -165 | 175.4 | -174.4 | 173.6 | 0 | 110.8 | E169 S170 G171 A175 | E169-K173 PolarHBondContact O-N 2.79Å; S170-K173 WeakPolarHBondContact O-CB 3.37Å; G171-K173 VanDerWaalsContact C-N 3.32Å; K173-A175 VanDerWaalsContact C-N 3.34Å |
| 174 | G | 83.8 | Confident | 89.1 | Confident | 86 Ų | 86 | 50.5 Ų | 50.5 | 89% | 0.887 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | 4.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L172 | L172-G174 PolarHBondContact O-N 3.3Š|
| 175 | A | 88.3 | Confident | 89.5 | Confident | 32 Ų | 32 | 50.2 Ų | 50.2 | 26% | 0.264 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -79.2 | 156.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L126 L172 K173 L177 | L126-A175 HydrophobicContact CD2-CB 3.56Å; L172-A175 WeakPolarHBondContact O-CB 3.41Å; L172-A175 PolarHBondContact O-N 2.87Å; K173-A175 VanDerWaalsContact C-N 3.34Å; A175-L177 HydrophobicContact CB-CD2 4.14Å; A175-L177 HydrophobicContact CB-CG 4.36Å; A175-L177 PolarHBondContact O-N 2.85Å; A175-L177 VanDerWaalsContact O-N 3.1Å |
| 176 | D | 86.9 | Confident | 89.8 | Confident | 94 Ų | 94 | 49.4 Ų | 49.4 | 50% | 0.503 | 28% | 0.276 | S | S | . | . | trans | -81.2 | 87.8 | 174.7 | 176.5 | 9.2 | 0 | 0 | 0 | 111.2 | K133 V178 | K133-D176 PolarHBondContact NZ-O 3.12Å; K133-D176 VanDerWaalsContact NZ-O 3.08Å; K133-D176 IonicContact NZ-OD1 2.78Å; K133-D176 PolarHBondContact NZ-OD1 3.46Å; K133-D176 IonicContact NZ-OD2 2.9Å; K133-D176 PolarHBondContact NZ-OD2 2.84Å; D176-V178 WeakPolarHBondContact OD1-CB 3.37Å; D176-V178 WeakPolarHBondContact OD1-CG2 3.44Å; D176-V178 PolarHBondContact OD1-N 3.1Å | ||
| 177 | L | 89.8 | Confident | 90.1 | Very high | 22 Ų | 22 | 45 Ų | 45 | 12% | 0.115 | 26% | 0.255 | C | S | . | . | trans | -92.6 | 13.3 | 179.9 | -55 | -179.7 | 0 | 0 | 0 | 113.7 | L126 L129 L172 A175 P179 L180 L219 | L126-L177 HydrophobicContact CD2-CD2 4.47Å; L129-L177 HydrophobicContact CD1-CD2 3.66Å; L172-L177 HydrophobicContact CB-CD1 4.25Å; L172-L177 HydrophobicContact CD2-CD2 4.35Å; A175-L177 HydrophobicContact CB-CD2 4.14Å; A175-L177 HydrophobicContact CB-CG 4.36Å; A175-L177 PolarHBondContact O-N 2.85Å; A175-L177 VanDerWaalsContact O-N 3.1Å; L177-P179 VanDerWaalsContact C-N 3.32Å; L177-P179 VanDerWaalsContact O-N 3.12Å; L177-L180 HydrophobicContact CB-CB 4.27Å; L177-L180 HydrophobicContact CB-CD2 4.42Å; L177-L180 HydrophobicContact CD1-CD2 4.41Å; L177-L180 HydrophobicContact CD2-CD2 4.11Å; L177-L180 VanDerWaalsContact O-CB 3.29Å; L177-L180 WeakPolarHBondContact O-CB 3.35Å; L177-L180 PolarHBondContact O-N 3.08Å; L177-L219 HydrophobicContact CD1-CD2 3.44Å; L177-L219 VanDerWaalsContact CD1-CD2 3.44Å; L177-L219 HydrophobicContact CD1-CG 4.07Å | ||
| 178 | V | 86.8 | Confident | 90.4 | Very high | 131 Ų | 131 | 41 Ų | 41 | 79% | 0.794 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -48.1 | -41.7 | -176.9 | 172.2 | 0 | 0 | 0 | 0 | 114.8 | D176 L180 | D176-V178 WeakPolarHBondContact OD1-CB 3.37Å; D176-V178 WeakPolarHBondContact OD1-CG2 3.44Å; D176-V178 PolarHBondContact OD1-N 3.1Å; V178-L180 VanDerWaalsContact C-N 3.32Å; V178-L180 PolarHBondContact O-N 2.73Å |
| 179 | P | 87.6 | Confident | 90.3 | Very high | 13 Ų | 13 | 41.5 Ų | 41.5 | 8% | 0.084 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -9.4 | 178.7 | 31.4 | -34.8 | 0 | 0 | 0 | 114.2 | L129 F132 K133 S150 V151 L177 R181 | L129-P179 HydrophobicContact CB-CG 4.41Å; L129-P179 HydrophobicContact CD2-CG 4.23Å; F132-P179 HydrophobicContact CD1-CB 4Å; F132-P179 HydrophobicContact CE1-CB 4.18Å; K133-P179 HydrophobicContact CG-CG 4.4Å; S150-P179 CarbonylContact C-O 3.53Å; S150-P179 WeakPolarHBondContact CA-O 3.35Å; V151-P179 PolarHBondContact N-O 3.21Å; L177-P179 VanDerWaalsContact C-N 3.32Å; L177-P179 VanDerWaalsContact O-N 3.12Å; P179-R181 PolarHBondContact O-N 3.07Å |
| 180 | L | 90.6 | Very high | 89.9 | Confident | 10 Ų | 10 | 41.6 Ų | 41.6 | 5% | 0.052 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 108 | -175.4 | -177.5 | 64.9 | 0 | 0 | 0 | 110.2 | L129 V153 L177 V178 R182 L183 T221 | L129-L180 HydrophobicContact CD1-CB 4.17Å; L129-L180 HydrophobicContact CD1-CD2 4.46Å; L129-L180 HydrophobicContact CD2-CB 4.08Å; L129-L180 HydrophobicContact CD2-CD1 4.2Å; V153-L180 HydrophobicContact CB-CD1 4.02Å; V153-L180 HydrophobicContact CG2-CD1 3.48Å; V153-L180 VanDerWaalsContact CG2-CD1 3.48Å; L177-L180 HydrophobicContact CB-CB 4.27Å; L177-L180 HydrophobicContact CB-CD2 4.42Å; L177-L180 HydrophobicContact CD1-CD2 4.41Å; L177-L180 HydrophobicContact CD2-CD2 4.11Å; L177-L180 VanDerWaalsContact O-CB 3.29Å; L177-L180 WeakPolarHBondContact O-CB 3.35Å; L177-L180 PolarHBondContact O-N 3.08Å; V178-L180 VanDerWaalsContact C-N 3.32Å; V178-L180 PolarHBondContact O-N 2.73Å; L180-R182 VanDerWaalsContact CD1-O 3.25Å; L180-R182 WeakPolarHBondContact CD1-O 3.42Å; L180-L183 HydrophobicContact CD2-CB 4.31Å; L180-T221 HydrophobicContact CD2-CG2 3.85Å; L180-T221 HydrophobicContact CG-CG2 3.86Å |
| 181 | R | 86.8 | Confident | 88.7 | Confident | 85 Ų | 85 | 40.4 Ų | 40.4 | 32% | 0.321 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | -38.1 | 174.8 | 176.9 | 176.3 | 176.7 | 150.8 | 2.6 | 111.8 | V151 E152 P179 D249 | V151-R181 PolarHBondContact O-N 2.81Å; E152-R181 HydrophobicContact CG-CB 4.1Å; E152-R181 HydrophobicContact CG-CG 4.35Å; E152-R181 IonicContact OE1-NE 3.56Å; P179-R181 PolarHBondContact O-N 3.07Å; R181-D249 IonicContact NH1-OD2 3.96Å; R181-D249 PolarHBondContact NH1-OD2 2.84Å |
| 182 | R | 89.1 | Confident | 87.2 | Confident | 80 Ų | 80 | 47.9 Ų | 47.9 | 30% | 0.302 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 141.2 | -175.3 | -169.9 | 176.5 | -179.1 | 169.1 | -0.1 | 111.6 | E152 V153 L180 D224 | E152-R182 WeakPolarHBondContact CA-O 3.36Å; E152-R182 HydrophobicContact CB-CB 4.34Å; E152-R182 HydrophobicContact CG-CB 3.86Å; V153-R182 PolarHBondContact N-O 2.94Å; L180-R182 VanDerWaalsContact CD1-O 3.25Å; L180-R182 WeakPolarHBondContact CD1-O 3.42Å; R182-D224 IonicContact CZ-OD2 3.52Å; R182-D224 IonicContact NE-OD2 3.35Å; R182-D224 PolarHBondContact NE-OD2 2.92Å; R182-D224 IonicContact NH2-OD2 2.74Å; R182-D224 PolarHBondContact NH2-OD2 3.38Å |
| 183 | L | 94.2 | Very high | 85.6 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 115.3 | 168.6 | -176.7 | 61.2 | 0 | 0 | 0 | 109.2 | V125 V153 V155 L168 L172 L180 V223 D224 | V125-L183 HydrophobicContact CG2-CD1 4.29Å; V153-L183 HydrophobicContact CB-CD1 3.59Å; V153-L183 HydrophobicContact CG1-CD1 3.51Å; V153-L183 WeakPolarHBondContact O-CA 3.48Å; V155-L183 HydrophobicContact CG2-CD1 4.06Å; L168-L183 HydrophobicContact CD1-CD2 4.4Å; L172-L183 HydrophobicContact CD1-CD2 3.73Å; L180-L183 HydrophobicContact CD2-CB 4.31Å; L183-V223 HydrophobicContact CB-CG1 4.46Å; L183-V223 HydrophobicContact CB-CG2 4.48Å; L183-V223 HydrophobicContact CD2-CG1 4Å; L183-V223 HydrophobicContact CD2-CG2 3.93Å; L183-V223 HydrophobicContact CG-CG1 4.03Å; L183-V223 WeakPolarHBondContact O-CA 3.49Å; L183-D224 PolarHBondContact O-N 2.78Å |
| 184 | L | 95.3 | Very high | 83.9 | Confident | 16 Ų | 16 | 47.9 Ų | 47.9 | 8% | 0.084 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 127.7 | 179.5 | 175.1 | 64.6 | 0 | 0 | 0 | 109.8 | V153 T154 V155 V186 D224 Q226 V238 | V153-L184 PolarHBondContact O-N 3.06Å; T154-L184 CarbonylContact C-O 3.59Å; T154-L184 VanDerWaalsContact CA-O 3.31Å; T154-L184 WeakPolarHBondContact CA-O 3.41Å; T154-L184 HydrophobicContact CG2-CD2 4.27Å; T154-L184 HydrophobicContact CG2-CG 4.49Å; V155-L184 PolarHBondContact N-O 2.85Å; L184-V186 HydrophobicContact CD2-CG2 3.93Å; L184-V186 HydrophobicContact CG-CG2 3.94Å; L184-D224 HydrophobicContact CD1-CB 3.63Å; L184-Q226 HydrophobicContact CD1-CB 3.95Å; L184-V238 HydrophobicContact CD2-CG1 4.49Å |
| 185 | V | 96.6 | Very high | 82.1 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 120.2 | 169.2 | 179.5 | 0 | 0 | 0 | 0 | 108.8 | V155 T157 L164 I165 L168 V223 D224 L225 Q226 | V155-V185 HydrophobicContact CB-CG2 4.37Å; V155-V185 CarbonylContact O-C 3.6Å; V155-V185 WeakPolarHBondContact O-CA 3.28Å; T157-V185 HydrophobicContact CG2-CG1 3.85Å; L164-V185 HydrophobicContact CD2-CG1 3.96Å; I165-V185 HydrophobicContact CD1-CB 4.44Å; I165-V185 HydrophobicContact CG1-CB 4.24Å; I165-V185 HydrophobicContact CG1-CG2 3.89Å; L168-V185 HydrophobicContact CD1-CG2 3.91Å; V185-V223 HydrophobicContact CG2-CG1 3.92Å; V185-D224 PolarHBondContact N-O 3.33Å; V185-L225 HydrophobicContact CB-CD1 4.19Å; V185-L225 HydrophobicContact CG1-CD1 3.97Å; V185-Q226 PolarHBondContact O-N 3.11Å |
| 186 | V | 97 | Very high | 79.9 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 108.1 | 177.2 | -177.4 | 0 | 0 | 0 | 0 | 108.1 | T154 V155 V156 T157 L184 Q226 V228 M235 V238 | T154-V186 HydrophobicContact CG2-CG2 3.61Å; V155-V186 PolarHBondContact O-N 3.24Å; V156-V186 WeakPolarHBondContact CA-O 3.47Å; V156-V186 HydrophobicContact CG2-CB 4.25Å; T157-V186 PolarHBondContact N-O 2.97Å; L184-V186 HydrophobicContact CD2-CG2 3.93Å; L184-V186 HydrophobicContact CG-CG2 3.94Å; V186-Q226 CarbonylContact C-O 3.55Å; V186-Q226 VanDerWaalsContact CA-O 3.29Å; V186-Q226 WeakPolarHBondContact CA-O 3.32Å; V186-V228 HydrophobicContact CG1-CG1 4.46Å; V186-V228 HydrophobicContact CG1-CG2 3.74Å; V186-M235 HydrophobicContact CG1-SD 4.17Å; V186-V238 HydrophobicContact CG1-CG1 4.41Å; V186-V238 HydrophobicContact CG1-CG2 4.33Å; V186-V238 HydrophobicContact CG2-CG1 3.72Å |
| 187 | Q | 95.3 | Very high | 77.8 | Confident | 25 Ų | 25 | 56.6 Ų | 56.6 | 12% | 0.117 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 117.7 | 174.7 | 179 | -176.3 | -2.5 | 0 | 0 | 109.4 | T157 Q159 V189 L225 Q226 Q227 V228 | T157-Q187 HydrophobicContact CG2-CB 4.43Å; T157-Q187 CarbonylContact O-C 3.59Å; T157-Q187 WeakPolarHBondContact O-CA 3.45Å; Q159-Q187 WeakPolarHBondContact O-CG 3.14Å; Q187-V189 HydrophobicContact CG-CG2 3.9Å; Q187-L225 HydrophobicContact CB-CD1 4.26Å; Q187-Q226 PolarHBondContact N-O 3.27Å; Q187-Q227 HydrophobicContact CB-CG 4.18Å; Q187-Q227 WeakPolarHBondContact O-CA 3.3Å; Q187-V228 PolarHBondContact O-N 2.89Å |
| 188 | I | 94.4 | Very high | 75 | Confident | 7 Ų | 7 | 59.9 Ų | 59.9 | 4% | 0.036 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 121.4 | 171.6 | -57.6 | 175.6 | 0 | 0 | 0 | 108.4 | T43 V156 T157 V228 N230 M235 | T43-I188 HydrophobicContact CG2-CB 3.97Å; T43-I188 HydrophobicContact CG2-CD1 4.29Å; T43-I188 HydrophobicContact CG2-CG2 3.59Å; V156-I188 HydrophobicContact CG1-CD1 3.58Å; V156-I188 HydrophobicContact CG1-CG1 4.06Å; T157-I188 PolarHBondContact O-N 2.69Å; I188-V228 HydrophobicContact CG1-CG2 4.07Å; I188-N230 HydrophobicContact CG2-CB 3.65Å; I188-N230 WeakPolarHBondContact CG2-OD1 3.47Å; I188-M235 HydrophobicContact CD1-SD 4.31Å |
| 189 | V | 90.5 | Very high | 72.9 | Confident | 11 Ų | 11 | 58.7 Ų | 58.7 | 7% | 0.067 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 128 | -174.7 | -174.5 | 0 | 0 | 0 | 0 | 109.4 | Q187 V193 Q227 V228 N230 | Q187-V189 HydrophobicContact CG-CG2 3.9Å; V189-V193 HydrophobicContact CG1-CB 3.63Å; V189-V193 HydrophobicContact CG1-CG1 3.77Å; V189-V193 HydrophobicContact CG1-CG2 4.45Å; V189-Q227 HydrophobicContact CG2-CB 4.28Å; V189-Q227 HydrophobicContact CG2-CG 4.41Å; V189-V228 PolarHBondContact N-O 2.93Å; V189-N230 PolarHBondContact O-N 2.92Å |
| 190 | G | 81.1 | Confident | 70 | Confident | 35 Ų | 35 | 65.9 Ų | 65.9 | 36% | 0.361 | 35% | 0.352 | S | S | . | . | trans | -65.9 | 144.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q192 V193 | G190-Q192 PolarHBondContact O-N 3.14Å; G190-V193 PolarHBondContact O-N 3.15Å | ||
| 191 | S | 62.8 | Low | 67.2 | Low | 55 Ų | 55 | 74.7 Ų | 74.7 | 39% | 0.385 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -56.3 | -27.3 | -171.7 | -52.8 | 0 | 0 | 0 | 0 | 114.7 | V193 L194 I195 E229 | S191-V193 VanDerWaalsContact C-N 3.32Å; S191-V193 PolarHBondContact O-N 2.52Å; S191-L194 PolarHBondContact O-N 3.18Å; S191-I195 WeakPolarHBondContact O-CG1 3.47Å; S191-I195 PolarHBondContact O-N 2.99Å; S191-E229 PolarHBondContact OG-OE1 3.32Å |
| 192 | Q | 56 | Low | 64.3 | Low | 167 Ų | 167 | 74.3 Ų | 74.3 | 78% | 0.78 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -70 | -25.5 | 178 | -72.8 | 141.4 | 5.1 | 0 | 0 | 113.7 | G190 | G190-Q192 PolarHBondContact O-N 3.14Å |
| 193 | V | 56.1 | Low | 61.8 | Low | 78 Ų | 78 | 77.6 Ų | 77.6 | 47% | 0.473 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -80.1 | -31.2 | 176.9 | -179.8 | 0 | 0 | 0 | 0 | 110.8 | V189 G190 S191 | V189-V193 HydrophobicContact CG1-CB 3.63Å; V189-V193 HydrophobicContact CG1-CG1 3.77Å; V189-V193 HydrophobicContact CG1-CG2 4.45Å; G190-V193 PolarHBondContact O-N 3.15Å; S191-V193 VanDerWaalsContact C-N 3.32Å; S191-V193 PolarHBondContact O-N 2.52Å |
| 194 | L | 53.4 | Low | 58.5 | Low | 58 Ų | 58 | 87.2 Ų | 87.2 | 30% | 0.304 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -73.7 | -31.3 | 179.8 | -143 | 89.7 | 0 | 0 | 0 | 112.9 | S191 N196 Q197 T198 | S191-L194 PolarHBondContact O-N 3.18Å; L194-N196 VanDerWaalsContact C-N 3.34Å; L194-Q197 CarbonylContact O-C 3.34Å; L194-Q197 VanDerWaalsContact O-CA 3.29Å; L194-Q197 WeakPolarHBondContact O-CA 3.46Å; L194-Q197 PolarHBondContact O-N 3.2Å; L194-T198 PolarHBondContact O-N 3.13Å; L194-T198 PolarHBondContact O-OG1 2.78Å |
| 195 | I | 45.6 | Very low | 55.5 | Low | 121 Ų | 121 | 93.8 Ų | 93.8 | 62% | 0.621 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -72.2 | -30.7 | 178.2 | -63.9 | 165.9 | 0 | 0 | 0 | 111.3 | S191 Q197 | S191-I195 WeakPolarHBondContact O-CG1 3.47Å; S191-I195 PolarHBondContact O-N 2.99Å; I195-Q197 PolarHBondContact O-N 3.07Å |
| 196 | N | 41.8 | Very low | 52.1 | Low | 146 Ų | 146 | 97.9 Ų | 97.9 | 78% | 0.781 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | 0.1 | 167.6 | -72.2 | -11.7 | 0 | 0 | 0 | 112.6 | L194 | L194-N196 VanDerWaalsContact C-N 3.34Š|
| 197 | Q | 43.3 | Very low | 49 | Very low | 127 Ų | 127 | 103.3 Ų | 103.3 | 59% | 0.593 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.7 | 45.7 | -178.7 | -63.3 | -172.3 | -9.4 | 0 | 0 | 112.8 | L194 I195 | L194-Q197 CarbonylContact O-C 3.34Å; L194-Q197 VanDerWaalsContact O-CA 3.29Å; L194-Q197 WeakPolarHBondContact O-CA 3.46Å; L194-Q197 PolarHBondContact O-N 3.2Å; I195-Q197 PolarHBondContact O-N 3.07Å |
| 198 | T | 31.6 | Very low | 45.7 | Very low | 91 Ų | 91 | 107.1 Ų | 107.1 | 56% | 0.558 | 60% | 0.596 | S | S | * | * | trans | -148.4 | 152.5 | 169.2 | 37.2 | 0 | 0 | 0 | 0 | 113 | L194 | L194-T198 PolarHBondContact O-N 3.13Å; L194-T198 PolarHBondContact O-OG1 2.78Å | ||
| 199 | P | 43 | Very low | 42.6 | Very low | 107 Ų | 107 | 112 Ų | 112 | 70% | 0.695 | 63% | 0.631 | S | S | * | * | cis | -127.7 | 134.3 | -38 | 34.9 | -18.7 | 0 | 0 | 0 | 111.4 | ||||
| 200 | L | 26.1 | Very low | 39.8 | Very low | 164 Ų | 164 | 119.2 Ų | 119.2 | 86% | 0.859 | 66% | 0.663 | S | S | * | * | trans | -114.8 | 113.9 | 153.3 | -120.9 | 89.7 | 0 | 0 | 0 | 108.3 | S202 | L200-S202 PolarHBondContact O-N 2.71Š| ||
| 201 | H | 32.6 | Very low | 37.3 | Very low | 194 Ų | 194 | 126.2 Ų | 126.2 | 90% | 0.898 | 69% | 0.687 | S | S | * | * | trans | -57.2 | 92.7 | 158.5 | -79.9 | -76.3 | 0 | 0 | 0 | 109.2 | ||||
| 202 | S | 25.8 | Very low | 35.7 | Very low | 77 Ų | 77 | 130.3 Ų | 130.3 | 54% | 0.538 | 71% | 0.705 | S | S | . | * | trans | -163.7 | 106 | 144.1 | 58.3 | 0 | 0 | 0 | 0 | 106.9 | L200 R204 | L200-S202 PolarHBondContact O-N 2.71Å; S202-R204 PolarHBondContact O-N 2.99Å | ||
| 203 | V | 34.7 | Very low | 34.7 | Very low | 149 Ų | 149 | 130.7 Ų | 130.7 | 90% | 0.903 | 71% | 0.706 | S | S | * | * | trans | -59.8 | 91.1 | 153 | 176.3 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 204 | R | 25.8 | Very low | 33.5 | Very low | 203 Ų | 203 | 136 Ų | 136 | 77% | 0.766 | 72% | 0.723 | S | S | * | * | trans | -124.8 | 93.1 | 168.6 | -160.1 | 175.6 | -159.1 | -165.2 | 4 | 106.5 | S202 S206 | S202-R204 PolarHBondContact O-N 2.99Å; R204-S206 PolarHBondContact O-N 2.78Å; R204-S206 PolarHBondContact O-OG 3.21Å; R204-S206 VanDerWaalsContact O-OG 3.07Å | ||
| 205 | N | 33.1 | Very low | 32.7 | Very low | 154 Ų | 154 | 142.2 Ų | 142.2 | 82% | 0.824 | 74% | 0.744 | S | S | * | * | trans | -42.5 | 108.3 | 157.2 | -69.6 | -8 | 0 | 0 | 0 | 107.2 | ||||
| 206 | S | 24.7 | Very low | 32.4 | Very low | 87 Ų | 87 | 139.5 Ų | 139.5 | 61% | 0.608 | 74% | 0.735 | S | S | * | * | trans | -121.8 | 126.2 | 172.8 | -50.4 | 0 | 0 | 0 | 0 | 105.9 | R204 S208 | R204-S206 PolarHBondContact O-N 2.78Å; R204-S206 PolarHBondContact O-OG 3.21Å; R204-S206 VanDerWaalsContact O-OG 3.07Å; S206-S208 PolarHBondContact O-N 2.9Å | ||
| 207 | P | 32.5 | Very low | 32.1 | Very low | 114 Ų | 114 | 140 Ų | 140 | 74% | 0.74 | 74% | 0.737 | S | S | * | * | trans | -82.4 | 117 | -161.1 | 32.4 | -31.3 | 0 | 0 | 0 | 109.3 | ||||
| 208 | S | 25.7 | Very low | 32 | Very low | 104 Ų | 104 | 140.7 Ų | 140.7 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | trans | -123.5 | 112.7 | 166.6 | 60.5 | 0 | 0 | 0 | 0 | 109.4 | S206 | S206-S208 PolarHBondContact O-N 2.9Š| ||
| 209 | S | 27.8 | Very low | 32.7 | Very low | 109 Ų | 109 | 137.9 Ų | 137.9 | 76% | 0.762 | 72% | 0.724 | S | S | * | * | trans | 74.1 | 65.1 | 162.9 | -38.2 | 0 | 0 | 0 | 0 | 115.9 | E211 | S209-E211 PolarHBondContact O-N 3.33Š| ||
| 210 | H | 32.3 | Very low | 33.2 | Very low | 163 Ų | 163 | 137.4 Ų | 137.4 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | 75.7 | 160.3 | -79.8 | -77.7 | 0 | 0 | 0 | 111.8 | ||
| 211 | E | 28.8 | Very low | 34.9 | Very low | 182 Ų | 182 | 130.5 Ų | 130.5 | 85% | 0.85 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.1 | -7.3 | 156.8 | -74.8 | -154 | 159.6 | 0 | 0 | 115.4 | S209 | S209-E211 PolarHBondContact O-N 3.33Š|
| 212 | N | 28.4 | Very low | 36.8 | Very low | 142 Ų | 142 | 128.3 Ų | 128.3 | 76% | 0.759 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -129.1 | 1.1 | -176.2 | -111.9 | 0.2 | 0 | 0 | 0 | 118.1 | K214 | N212-K214 VanDerWaalsContact C-N 3.3Å; N212-K214 PolarHBondContact O-N 2.9Å |
| 213 | E | 36.4 | Very low | 39.7 | Very low | 174 Ų | 174 | 125.2 Ų | 125.2 | 81% | 0.813 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -82.8 | -0.1 | 179 | -76.7 | 179.5 | 162.9 | 0 | 0 | 114.4 | Y215 | E213-Y215 PolarHBondContact O-N 2.84Š|
| 214 | K | 31.2 | Very low | 42.4 | Very low | 190 Ų | 190 | 120.1 Ų | 120.1 | 83% | 0.826 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -85.3 | 3.9 | -173.1 | -102.9 | 178.6 | 178.3 | 176.6 | 0 | 116 | N212 | N212-K214 VanDerWaalsContact C-N 3.3Å; N212-K214 PolarHBondContact O-N 2.9Å |
| 215 | Y | 35.4 | Very low | 45.6 | Very low | 189 Ų | 189 | 113.2 Ų | 113.2 | 74% | 0.741 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -120.3 | 3.5 | -173.6 | -66.6 | -71 | 0 | 0 | 0 | 116.6 | E213 | E213-Y215 PolarHBondContact O-N 2.84Š|
| 216 | S | 39.4 | Very low | 48.5 | Very low | 63 Ų | 63 | 109.5 Ų | 109.5 | 44% | 0.441 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -83.8 | -12.9 | -177.6 | 165.1 | 0 | 0 | 0 | 0 | 114.4 | E169 M218 | E169-S216 PolarHBondContact OE1-OG 3.07Å; S216-M218 VanDerWaalsContact C-N 3.29Å; S216-M218 PolarHBondContact O-N 3.19Å |
| 217 | L | 36.5 | Very low | 51.9 | Low | 158 Ų | 158 | 110 Ų | 110 | 83% | 0.827 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | 20.3 | -173.3 | -64.9 | 167.5 | 0 | 0 | 0 | 116.2 | ||
| 218 | M | 39.9 | Very low | 54.9 | Low | 140 Ų | 140 | 105.1 Ų | 105.1 | 69% | 0.69 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | -2.4 | -173.2 | -72.8 | -150.9 | 77.6 | 0 | 0 | 115.9 | S216 | S216-M218 VanDerWaalsContact C-N 3.29Å; S216-M218 PolarHBondContact O-N 3.19Å |
| 219 | L | 46 | Very low | 58.1 | Low | 33 Ų | 33 | 104.2 Ų | 104.2 | 17% | 0.173 | 54% | 0.539 | C | S | . | . | S | Bend | trans | -100.9 | 127.7 | 164.1 | -93.4 | 71.4 | 0 | 0 | 0 | 107.7 | L172 L177 T221 | L172-L219 HydrophobicContact CB-CD2 4.03Å; L177-L219 HydrophobicContact CD1-CD2 3.44Å; L177-L219 VanDerWaalsContact CD1-CD2 3.44Å; L177-L219 HydrophobicContact CD1-CG 4.07Å; L219-T221 WeakPolarHBondContact CB-O 3.12Å; L219-T221 PolarHBondContact O-N 2.9Å |
| 220 | G | 53.3 | Low | 61.3 | Low | 97 Ų | 97 | 100.9 Ų | 100.9 | 100% | 1 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -62.5 | 4.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 221 | T | 63.2 | Low | 64.3 | Low | 18 Ų | 18 | 94.6 Ų | 94.6 | 11% | 0.11 | 49% | 0.487 | C | S | . | . | S | Bend | trans | -121.8 | 106.8 | 173 | -48.7 | 0 | 0 | 0 | 0 | 107.8 | L180 L219 | L180-T221 HydrophobicContact CD2-CG2 3.85Å; L180-T221 HydrophobicContact CG-CG2 3.86Å; L219-T221 WeakPolarHBondContact CB-O 3.12Å; L219-T221 PolarHBondContact O-N 2.9Å |
| 222 | E | 71.8 | Confident | 67.6 | Low | 148 Ų | 148 | 87.9 Ų | 87.9 | 69% | 0.692 | 46% | 0.459 | S | S | * | . | trans | -68 | 138.9 | 173.6 | -168.3 | 171.3 | -177.1 | 0 | 0 | 110.1 | ||||
| 223 | V | 86.9 | Confident | 70.8 | Confident | 12 Ų | 12 | 88 Ų | 88 | 7% | 0.073 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 107.8 | 176.4 | -171.2 | 0 | 0 | 0 | 0 | 108.5 | I165 E169 L183 V185 | I165-V223 HydrophobicContact CB-CG1 4.5Å; I165-V223 HydrophobicContact CG1-CG1 3.87Å; I165-V223 HydrophobicContact CG2-CB 4.15Å; I165-V223 HydrophobicContact CG2-CG1 4.24Å; E169-V223 HydrophobicContact CG-CG2 4.06Å; L183-V223 HydrophobicContact CB-CG1 4.46Å; L183-V223 HydrophobicContact CB-CG2 4.48Å; L183-V223 HydrophobicContact CD2-CG1 4Å; L183-V223 HydrophobicContact CD2-CG2 3.93Å; L183-V223 HydrophobicContact CG-CG1 4.03Å; L183-V223 WeakPolarHBondContact O-CA 3.49Å; V185-V223 HydrophobicContact CG2-CG1 3.92Å |
| 224 | D | 91.1 | Very high | 73.6 | Confident | 42 Ų | 42 | 80.6 Ų | 80.6 | 23% | 0.225 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 145.5 | -176.5 | -65.5 | -40.6 | 0 | 0 | 0 | 111.8 | R182 L183 L184 V185 | R182-D224 IonicContact CZ-OD2 3.52Å; R182-D224 IonicContact NE-OD2 3.35Å; R182-D224 PolarHBondContact NE-OD2 2.92Å; R182-D224 IonicContact NH2-OD2 2.74Å; R182-D224 PolarHBondContact NH2-OD2 3.38Å; L183-D224 PolarHBondContact O-N 2.78Å; L184-D224 HydrophobicContact CD1-CB 3.63Å; V185-D224 PolarHBondContact N-O 3.33Å |
| 225 | L | 93.3 | Very high | 76.7 | Confident | 59 Ų | 59 | 71.6 Ų | 71.6 | 31% | 0.309 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 127.4 | 167 | -170.5 | 53.3 | 0 | 0 | 0 | 110.9 | R162 I165 V185 Q187 Q227 | R162-L225 HydrophobicContact CG-CD2 3.76Å; I165-L225 HydrophobicContact CD1-CB 3.46Å; I165-L225 VanDerWaalsContact CD1-CB 3.46Å; I165-L225 HydrophobicContact CD1-CD1 3.99Å; I165-L225 HydrophobicContact CD1-CD2 4.24Å; I165-L225 HydrophobicContact CD1-CG 4.07Å; V185-L225 HydrophobicContact CB-CD1 4.19Å; V185-L225 HydrophobicContact CG1-CD1 3.97Å; Q187-L225 HydrophobicContact CB-CD1 4.26Å; L225-Q227 HydrophobicContact CG-CG 4.44Å |
| 226 | Q | 94.8 | Very high | 79.6 | Confident | 76 Ų | 76 | 63.7 Ų | 63.7 | 36% | 0.355 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 122.3 | 166.2 | -173.7 | 173.4 | 7.1 | 0 | 0 | 109.9 | L184 V185 V186 Q187 V228 | L184-Q226 HydrophobicContact CD1-CB 3.95Å; V185-Q226 PolarHBondContact O-N 3.11Å; V186-Q226 CarbonylContact C-O 3.55Å; V186-Q226 VanDerWaalsContact CA-O 3.29Å; V186-Q226 WeakPolarHBondContact CA-O 3.32Å; Q187-Q226 PolarHBondContact N-O 3.27Å; Q226-V228 HydrophobicContact CG-CG1 4.11Å |
| 227 | Q | 94.8 | Very high | 82.2 | Confident | 97 Ų | 97 | 64.6 Ų | 64.6 | 45% | 0.453 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 133.6 | 172.3 | -69.5 | -178 | -27.7 | 0 | 0 | 109.4 | Q187 V189 L225 | Q187-Q227 HydrophobicContact CB-CG 4.18Å; Q187-Q227 WeakPolarHBondContact O-CA 3.3Å; V189-Q227 HydrophobicContact CG2-CB 4.28Å; V189-Q227 HydrophobicContact CG2-CG 4.41Å; L225-Q227 HydrophobicContact CG-CG 4.44Å |
| 228 | V | 95.1 | Very high | 85 | Confident | 12 Ų | 12 | 57.2 Ų | 57.2 | 7% | 0.073 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 149.3 | 178.5 | -64 | 0 | 0 | 0 | 0 | 110.9 | V186 Q187 I188 V189 Q226 A234 V238 | V186-V228 HydrophobicContact CG1-CG1 4.46Å; V186-V228 HydrophobicContact CG1-CG2 3.74Å; Q187-V228 PolarHBondContact O-N 2.89Å; I188-V228 HydrophobicContact CG1-CG2 4.07Å; V189-V228 PolarHBondContact N-O 2.93Å; Q226-V228 HydrophobicContact CG-CG1 4.11Å; V228-A234 HydrophobicContact CB-CB 4.17Å; V228-V238 HydrophobicContact CG1-CG2 3.55Å |
| 229 | E | 94.2 | Very high | 87.6 | Confident | 84 Ų | 84 | 50.5 Ų | 50.5 | 39% | 0.393 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 147.3 | 171.1 | -174.8 | 176.6 | -162.9 | 0 | 0 | 110.3 | S191 S231 A234 | S191-E229 PolarHBondContact OG-OE1 3.32Å; E229-S231 PolarHBondContact O-N 3.41Å; E229-A234 HydrophobicContact CB-CB 4.24Å |
| 230 | N | 94.7 | Very high | 89.9 | Confident | 40 Ų | 40 | 52 Ų | 52 | 21% | 0.214 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -69.3 | 65.3 | 169 | -165.8 | 20.9 | 0 | 0 | 0 | 111.7 | D42 V46 I188 V189 | D42-N230 PolarHBondContact O-ND2 2.85Å; V46-N230 WeakPolarHBondContact CB-OD1 3.25Å; V46-N230 VanDerWaalsContact CG2-OD1 3.3Å; V46-N230 WeakPolarHBondContact CG2-OD1 3.49Å; I188-N230 HydrophobicContact CG2-CB 3.65Å; I188-N230 WeakPolarHBondContact CG2-OD1 3.47Å; V189-N230 PolarHBondContact O-N 2.92Å |
| 231 | S | 95.9 | Very high | 91.6 | Very high | 30 Ų | 30 | 49 Ų | 49 | 21% | 0.21 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -137.1 | 144.1 | 176.5 | 73.4 | 0 | 0 | 0 | 0 | 110.4 | V46 E229 F233 A234 M235 | V46-S231 VanDerWaalsContact CG1-C 3.46Å; E229-S231 PolarHBondContact O-N 3.41Å; S231-F233 PolarHBondContact O-N 2.82Å; S231-A234 PolarHBondContact O-N 3.02Å; S231-A234 VanDerWaalsContact OG-CB 3.3Å; S231-A234 WeakPolarHBondContact OG-CB 3.46Å; S231-A234 PolarHBondContact OG-N 2.61Å; S231-M235 PolarHBondContact O-N 3.38Å; S231-M235 VanDerWaalsContact O-N 3.13Å |
| 232 | V | 96.9 | Very high | 92.9 | Very high | 42 Ų | 42 | 48.4 Ų | 48.4 | 26% | 0.255 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -55.7 | -42.9 | 179.6 | 176.1 | 0 | 0 | 0 | 0 | 110.2 | V46 D49 A50 A234 M235 E236 | V46-V232 HydrophobicContact CG2-CG2 4.49Å; D49-V232 HydrophobicContact CB-CG1 4.34Å; D49-V232 HydrophobicContact CB-CG2 4.05Å; A50-V232 HydrophobicContact CB-CG1 4.16Å; V232-A234 PolarHBondContact O-N 2.9Å; V232-M235 PolarHBondContact O-N 3.4Å; V232-E236 HydrophobicContact CG1-CG 4.3Å; V232-E236 WeakPolarHBondContact O-CB 3.34Å; V232-E236 WeakPolarHBondContact O-CG 3.36Å; V232-E236 PolarHBondContact O-N 3.36Å |
| 233 | F | 95.9 | Very high | 93.7 | Very high | 144 Ų | 144 | 41.5 Ų | 41.5 | 63% | 0.632 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -60.8 | -47.2 | 179 | 178.4 | -101.1 | 0 | 0 | 0 | 112.8 | S231 M235 E236 M237 | S231-F233 PolarHBondContact O-N 2.82Å; F233-M235 VanDerWaalsContact C-N 3.35Å; F233-M235 PolarHBondContact O-N 2.97Å; F233-E236 PolarHBondContact O-N 3.23Å; F233-M237 HydrophobicContact CD1-CG 4.45Å; F233-M237 HydrophobicContact CE1-CG 4.04Å; F233-M237 HydrophobicContact CE2-CG 4.23Å; F233-M237 HydrophobicContact CE2-SD 4.22Å; F233-M237 HydrophobicContact CZ-CG 3.92Å; F233-M237 HydrophobicContact CZ-SD 4.13Å; F233-M237 WeakPolarHBondContact O-CG 3.43Å; F233-M237 PolarHBondContact O-N 3.41Å |
| 234 | A | 95.8 | Very high | 93.4 | Very high | 19 Ų | 19 | 45.1 Ų | 45.1 | 16% | 0.157 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.7 | -42.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | V228 E229 S231 V232 M237 V238 | V228-A234 HydrophobicContact CB-CB 4.17Å; E229-A234 HydrophobicContact CB-CB 4.24Å; S231-A234 PolarHBondContact O-N 3.02Å; S231-A234 VanDerWaalsContact OG-CB 3.3Å; S231-A234 WeakPolarHBondContact OG-CB 3.46Å; S231-A234 PolarHBondContact OG-N 2.61Å; V232-A234 PolarHBondContact O-N 2.9Å; A234-M237 PolarHBondContact O-N 3.28Å; A234-V238 PolarHBondContact O-N 3.05Å |
| 235 | M | 96.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.3 | -40.1 | 177 | -169.5 | 62.6 | -146.2 | 0 | 0 | 112.2 | V46 L47 A50 V156 V186 I188 S231 V232 F233 M237 V238 L239 | V46-M235 HydrophobicContact CG1-CB 4.41Å; L47-M235 HydrophobicContact CD1-CE 3.68Å; L47-M235 HydrophobicContact CD1-CG 3.89Å; L47-M235 HydrophobicContact CD1-SD 4.11Å; A50-M235 HydrophobicContact CB-CB 3.81Å; A50-M235 HydrophobicContact CB-CG 3.85Å; V156-M235 HydrophobicContact CG2-CE 3.73Å; V186-M235 HydrophobicContact CG1-SD 4.17Å; I188-M235 HydrophobicContact CD1-SD 4.31Å; S231-M235 PolarHBondContact O-N 3.38Å; S231-M235 VanDerWaalsContact O-N 3.13Å; V232-M235 PolarHBondContact O-N 3.4Å; F233-M235 VanDerWaalsContact C-N 3.35Å; F233-M235 PolarHBondContact O-N 2.97Å; M235-M237 VanDerWaalsContact C-N 3.27Å; M235-M237 PolarHBondContact O-N 3.22Å; M235-V238 HydrophobicContact CE-CB 4.42Å; M235-V238 HydrophobicContact CE-CG1 4.39Å; M235-V238 WeakPolarHBondContact O-CB 3.29Å; M235-V238 PolarHBondContact O-N 2.71Å; M235-L239 HydrophobicContact CE-CD2 4.04Å; M235-L239 HydrophobicContact CE-CG 4.07Å; M235-L239 PolarHBondContact O-N 3.15Å; M235-L239 VanDerWaalsContact O-N 3.12Å |
| 236 | E | 95.6 | Very high | 90.7 | Very high | 22 Ų | 22 | 45 Ų | 45 | 10% | 0.103 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.1 | -39.4 | 172.9 | -83.7 | -174 | -155.9 | 0 | 0 | 112.4 | A50 N53 V232 F233 V238 L239 K240 | A50-E236 HydrophobicContact CB-CG 3.86Å; N53-E236 HydrophobicContact CB-CG 4.38Å; N53-E236 VanDerWaalsContact CB-OE1 3.24Å; N53-E236 WeakPolarHBondContact CB-OE1 3.49Å; N53-E236 PolarHBondContact ND2-OE1 3.28Å; V232-E236 HydrophobicContact CG1-CG 4.3Å; V232-E236 WeakPolarHBondContact O-CB 3.34Å; V232-E236 WeakPolarHBondContact O-CG 3.36Å; V232-E236 PolarHBondContact O-N 3.36Å; F233-E236 PolarHBondContact O-N 3.23Å; E236-V238 VanDerWaalsContact C-N 3.28Å; E236-V238 PolarHBondContact O-N 2.77Å; E236-L239 PolarHBondContact O-N 3.09Å; E236-K240 VanDerWaalsContact O-CB 3.3Å; E236-K240 WeakPolarHBondContact O-CB 3.44Å; E236-K240 VanDerWaalsContact O-CG 3.28Å; E236-K240 WeakPolarHBondContact O-CG 3.39Å; E236-K240 PolarHBondContact O-N 3.36Å; E236-K240 IonicContact OE2-NZ 3.76Å; E236-K240 PolarHBondContact OE2-NZ 2.93Å |
| 237 | M | 93.8 | Very high | 88.8 | Confident | 83 Ų | 83 | 42.2 Ų | 42.2 | 41% | 0.409 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65 | -34 | 179.3 | -71.7 | -55 | -57.8 | 0 | 0 | 112.1 | F233 A234 M235 K240 A241 | F233-M237 HydrophobicContact CD1-CG 4.45Å; F233-M237 HydrophobicContact CE1-CG 4.04Å; F233-M237 HydrophobicContact CE2-CG 4.23Å; F233-M237 HydrophobicContact CE2-SD 4.22Å; F233-M237 HydrophobicContact CZ-CG 3.92Å; F233-M237 HydrophobicContact CZ-SD 4.13Å; F233-M237 WeakPolarHBondContact O-CG 3.43Å; F233-M237 PolarHBondContact O-N 3.41Å; A234-M237 PolarHBondContact O-N 3.28Å; M235-M237 VanDerWaalsContact C-N 3.27Å; M235-M237 PolarHBondContact O-N 3.22Å; M237-K240 HydrophobicContact SD-CD 4.28Å; M237-A241 PolarHBondContact O-N 3.02Å |
| 238 | V | 94.8 | Very high | 87.1 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.012 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64 | -49.6 | 171.5 | 178.6 | 0 | 0 | 0 | 0 | 110.7 | L184 V186 V228 A234 M235 E236 K240 A241 | L184-V238 HydrophobicContact CD2-CG1 4.49Å; V186-V238 HydrophobicContact CG1-CG1 4.41Å; V186-V238 HydrophobicContact CG1-CG2 4.33Å; V186-V238 HydrophobicContact CG2-CG1 3.72Å; V228-V238 HydrophobicContact CG1-CG2 3.55Å; A234-V238 PolarHBondContact O-N 3.05Å; M235-V238 HydrophobicContact CE-CB 4.42Å; M235-V238 HydrophobicContact CE-CG1 4.39Å; M235-V238 WeakPolarHBondContact O-CB 3.29Å; M235-V238 PolarHBondContact O-N 2.71Å; E236-V238 VanDerWaalsContact C-N 3.28Å; E236-V238 PolarHBondContact O-N 2.77Å; V238-K240 PolarHBondContact O-N 2.98Å; V238-A241 VanDerWaalsContact O-CB 3.24Å; V238-A241 WeakPolarHBondContact O-CB 3.49Å; V238-A241 PolarHBondContact O-N 2.8Å |
| 239 | L | 95.7 | Very high | 85.8 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.1 | -41.1 | -179.7 | -63 | 171.9 | 0 | 0 | 0 | 111.6 | A50 L51 F54 M235 E236 A241 W242 | A50-L239 HydrophobicContact CB-CD1 4.24Å; L51-L239 HydrophobicContact CD2-CD1 3.82Å; L51-L239 HydrophobicContact CD2-CD2 4.11Å; L51-L239 HydrophobicContact CG-CD1 4.19Å; F54-L239 HydrophobicContact CB-CB 4.1Å; F54-L239 HydrophobicContact CB-CD1 3.91Å; F54-L239 HydrophobicContact CD1-CB 3.94Å; F54-L239 HydrophobicContact CD1-CD1 4.24Å; F54-L239 HydrophobicContact CD2-CB 3.69Å; F54-L239 HydrophobicContact CE1-CB 4.21Å; F54-L239 HydrophobicContact CE2-CB 3.97Å; F54-L239 WeakPolarHBondContact CE2-O 3.42Å; F54-L239 HydrophobicContact CG-CB 3.63Å; F54-L239 HydrophobicContact CG-CD1 4.15Å; F54-L239 HydrophobicContact CG-CG 4.47Å; F54-L239 HydrophobicContact CZ-CB 4.18Å; F54-L239 WeakPolarHBondContact CZ-O 3.41Å; M235-L239 HydrophobicContact CE-CD2 4.04Å; M235-L239 HydrophobicContact CE-CG 4.07Å; M235-L239 PolarHBondContact O-N 3.15Å; M235-L239 VanDerWaalsContact O-N 3.12Å; E236-L239 PolarHBondContact O-N 3.09Å; L239-A241 PolarHBondContact O-N 3.49Å; L239-W242 HydrophobicContact CD2-CE3 4.36Å; L239-W242 HydrophobicContact CD2-CH2 3.46Å; L239-W242 VanDerWaalsContact CD2-CH2 3.46Å; L239-W242 HydrophobicContact CD2-CZ2 3.69Å; L239-W242 HydrophobicContact CD2-CZ3 3.83Å; L239-W242 WeakPolarHBondContact O-CB 3.27Å; L239-W242 VanDerWaalsContact O-CG 3.29Å; L239-W242 PolarHBondContact O-N 3.21Å |
| 240 | K | 92.9 | Very high | 84.8 | Confident | 63 Ų | 63 | 43.2 Ų | 43.2 | 27% | 0.274 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62 | -24 | 177.2 | -78.5 | 167.5 | 175.3 | 158.2 | 0 | 112.9 | F54 E236 M237 V238 W242 L243 | F54-K240 HydrophobicContact CD2-CG 4.26Å; E236-K240 VanDerWaalsContact O-CB 3.3Å; E236-K240 WeakPolarHBondContact O-CB 3.44Å; E236-K240 VanDerWaalsContact O-CG 3.28Å; E236-K240 WeakPolarHBondContact O-CG 3.39Å; E236-K240 PolarHBondContact O-N 3.36Å; E236-K240 IonicContact OE2-NZ 3.76Å; E236-K240 PolarHBondContact OE2-NZ 2.93Å; M237-K240 HydrophobicContact SD-CD 4.28Å; V238-K240 PolarHBondContact O-N 2.98Å; K240-W242 PolarHBondContact O-N 3.46Å; K240-L243 WeakPolarHBondContact O-CB 3.39Å; K240-L243 PolarHBondContact O-N 3.34Å |
| 241 | A | 89.9 | Confident | 84.2 | Confident | 34 Ų | 34 | 42.8 Ų | 42.8 | 28% | 0.281 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -60.9 | -23.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | M237 V238 L239 L243 Q244 | M237-A241 PolarHBondContact O-N 3.02Å; V238-A241 VanDerWaalsContact O-CB 3.24Å; V238-A241 WeakPolarHBondContact O-CB 3.49Å; V238-A241 PolarHBondContact O-N 2.8Å; L239-A241 PolarHBondContact O-N 3.49Å; A241-L243 PolarHBondContact O-N 3.22Å; A241-Q244 PolarHBondContact O-N 2.66Å |
| 242 | W | 90.8 | Very high | 83.6 | Confident | 7 Ų | 7 | 42.6 Ų | 42.6 | 3% | 0.027 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -69.6 | -19.8 | 174.7 | -57.1 | -8 | 0 | 0 | 0 | 113.4 | R29 L31 F54 I67 L70 T154 L239 K240 Q244 | R29-W242 HydrophobicContact CB-CE3 4.29Å; R29-W242 HydrophobicContact CB-CZ3 4.45Å; R29-W242 HydrophobicContact CG-CD2 4.24Å; R29-W242 HydrophobicContact CG-CE3 4.14Å; R29-W242 HydrophobicContact CG-CG 4.43Å; L31-W242 HydrophobicContact CB-CH2 4.12Å; L31-W242 HydrophobicContact CD1-CH2 4.13Å; L31-W242 HydrophobicContact CD1-CZ2 4.36Å; L31-W242 HydrophobicContact CD2-CH2 4.45Å; L31-W242 HydrophobicContact CG-CH2 4.47Å; F54-W242 AromaticContact CE1-CE3 3.69Å; F54-W242 HydrophobicContact CE1-CE3 3.69Å; F54-W242 AromaticContact CE1-CZ3 3.95Å; F54-W242 HydrophobicContact CE1-CZ3 3.95Å; F54-W242 HydrophobicContact CZ-CB 4.26Å; F54-W242 HydrophobicContact CZ-CD2 4.35Å; F54-W242 AromaticContact CZ-CE3 3.68Å; F54-W242 HydrophobicContact CZ-CE3 3.68Å; F54-W242 HydrophobicContact CZ-CZ3 4.41Å; I67-W242 HydrophobicContact CD1-CB 3.9Å; I67-W242 HydrophobicContact CD1-CE3 4.32Å; I67-W242 HydrophobicContact CG1-CB 4.38Å; L70-W242 HydrophobicContact CD1-CZ3 4.02Å; T154-W242 HydrophobicContact CG2-CZ2 4.17Å; L239-W242 HydrophobicContact CD2-CE3 4.36Å; L239-W242 HydrophobicContact CD2-CH2 3.46Å; L239-W242 VanDerWaalsContact CD2-CH2 3.46Å; L239-W242 HydrophobicContact CD2-CZ2 3.69Å; L239-W242 HydrophobicContact CD2-CZ3 3.83Å; L239-W242 WeakPolarHBondContact O-CB 3.27Å; L239-W242 VanDerWaalsContact O-CG 3.29Å; L239-W242 PolarHBondContact O-N 3.21Å; K240-W242 PolarHBondContact O-N 3.46Å; W242-Q244 VanDerWaalsContact C-N 3.35Å |
| 243 | L | 88.1 | Confident | 83.2 | Confident | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -85.8 | -9.5 | 178.4 | -61.3 | 171.5 | 0 | 0 | 0 | 112.8 | F54 L57 A58 L61 R66 I67 K240 A241 I278 | F54-L243 HydrophobicContact CD2-CD1 4.33Å; F54-L243 HydrophobicContact CE2-CD1 3.8Å; F54-L243 HydrophobicContact CE2-CD2 4.35Å; F54-L243 HydrophobicContact CE2-CG 3.82Å; F54-L243 HydrophobicContact CZ-CG 4.44Å; L57-L243 HydrophobicContact CD2-CD1 4.18Å; A58-L243 HydrophobicContact CB-CD2 4.03Å; L61-L243 HydrophobicContact CD1-CD1 4.44Å; L61-L243 HydrophobicContact CD1-CD2 4.32Å; R66-L243 HydrophobicContact CB-CD2 3.85Å; R66-L243 WeakPolarHBondContact CD-O 3.46Å; R66-L243 PolarHBondContact NH1-O 3.12Å; I67-L243 HydrophobicContact CD1-CD2 3.66Å; I67-L243 HydrophobicContact CD1-CG 4.36Å; I67-L243 HydrophobicContact CG1-CD2 3.96Å; K240-L243 WeakPolarHBondContact O-CB 3.39Å; K240-L243 PolarHBondContact O-N 3.34Å; A241-L243 PolarHBondContact O-N 3.22Å; L243-I278 HydrophobicContact CB-CD1 4.41Å; L243-I278 HydrophobicContact CD1-CD1 3.61Å |
| 244 | Q | 80.4 | Confident | 83 | Confident | 88 Ų | 88 | 35.1 Ų | 35.1 | 41% | 0.411 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -80 | 138.7 | 176.6 | -65.7 | -176.6 | -33 | 0 | 0 | 110 | A241 W242 Q246 | A241-Q244 PolarHBondContact O-N 2.66Å; W242-Q244 VanDerWaalsContact C-N 3.35Å; Q244-Q246 PolarHBondContact O-N 3.33Å |
| 245 | E | 67.3 | Low | 82.9 | Confident | 22 Ų | 22 | 34.3 Ų | 34.3 | 10% | 0.103 | 17% | 0.171 | C | C | . | . | P | Polyproline II helix | trans | -69.1 | 117.4 | 167.2 | -69.2 | -172.2 | 169.3 | 0 | 0 | 108.3 | G247 R297 | E245-G247 PolarHBondContact O-N 3.4Å; E245-R297 IonicContact OE1-CZ 3.21Å; E245-R297 IonicContact OE1-NE 2.71Å; E245-R297 PolarHBondContact OE1-NE 2.74Å; E245-R297 IonicContact OE1-NH2 2.78Å; E245-R297 PolarHBondContact OE1-NH2 2.75Å |
| 246 | Q | 60.9 | Low | 82.8 | Confident | 75 Ų | 75 | 34.4 Ų | 34.4 | 35% | 0.35 | 17% | 0.171 | S | C | . | . | P | Polyproline II helix | trans | -75.4 | 123 | 176.7 | -65.1 | -91.3 | -15.3 | 0 | 0 | 108.3 | Q244 | Q244-Q246 PolarHBondContact O-N 3.33Š|
| 247 | G | 55.2 | Low | 82.5 | Confident | 19 Ų | 19 | 35 Ų | 35 | 20% | 0.196 | 18% | 0.175 | C | C | . | . | trans | -73 | -169.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E245 | E245-G247 PolarHBondContact O-N 3.4Š| ||
| 248 | G | 59.5 | Low | 82.1 | Confident | 11 Ų | 11 | 35.3 Ų | 35.3 | 11% | 0.113 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 97.6 | -18.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | C344 W345 | G248-C344 WeakPolarHBondContact O-CA 3.06Å; G248-W345 PolarHBondContact O-N 3.11Å |
| 249 | D | 66.2 | Low | 81.1 | Confident | 74 Ų | 74 | 37.1 Ų | 37.1 | 40% | 0.396 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -76.5 | -31 | 171.8 | -74.2 | -35.4 | 0 | 0 | 0 | 111.9 | R181 | R181-D249 IonicContact NH1-OD2 3.96Å; R181-D249 PolarHBondContact NH1-OD2 2.84Å |
| 250 | R | 73.6 | Confident | 79.6 | Confident | 128 Ų | 128 | 41.3 Ų | 41.3 | 48% | 0.483 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -155.4 | 154.4 | -174 | -56.5 | -175.6 | -178.1 | 174.4 | -1.1 | 110.6 | ||
| 251 | E | 83.3 | Confident | 78.1 | Confident | 32 Ų | 32 | 44 Ų | 44 | 15% | 0.15 | 25% | 0.251 | C | S | . | . | trans | -70.9 | 135.3 | 169.9 | -54.7 | 163.7 | 167.4 | 0 | 0 | 109.9 | H254 K270 P313 T342 C344 L347 | E251-H254 IonicContact OE2-CD2 3.17Å; E251-H254 IonicContact OE2-CE1 3.02Å; E251-H254 PolarHBondContact OE2-CE1 3.27Å; E251-H254 IonicContact OE2-NE2 3.41Å; E251-H254 PolarHBondContact OE2-NE2 3.3Å; E251-K270 VanDerWaalsContact OE1-CD 3.23Å; E251-K270 WeakPolarHBondContact OE1-CD 3.46Å; E251-K270 VanDerWaalsContact OE1-CE 3.3Å; E251-K270 WeakPolarHBondContact OE1-CE 3.41Å; E251-K270 IonicContact OE1-NZ 3.1Å; E251-K270 PolarHBondContact OE1-NZ 3.02Å; E251-P313 HydrophobicContact CB-CB 4.47Å; E251-P313 HydrophobicContact CB-CG 4.08Å; E251-T342 HydrophobicContact CG-CG2 4.25Å; E251-C344 HydrophobicContact CG-CB 3.86Å; E251-L347 VanDerWaalsContact OE1-CD2 3.27Å; E251-L347 WeakPolarHBondContact OE1-CD2 3.38Å | ||
| 252 | H | 82.4 | Confident | 76.5 | Confident | 26 Ų | 26 | 49.9 Ų | 49.9 | 12% | 0.12 | 28% | 0.277 | C | S | . | . | trans | -89.8 | -37.8 | 177.4 | -65.1 | 165.1 | 0 | 0 | 0 | 112.3 | C271 M273 Q314 | H252-C271 PolarHBondContact N-O 2.78Å; H252-C271 VanDerWaalsContact N-O 3.1Å; H252-M273 HydrophobicContact CB-CB 4.05Å; H252-M273 HydrophobicContact CB-CG 3.77Å; H252-M273 HydrophobicContact CB-SD 4.28Å; H252-M273 PolarHBondContact ND1-N 3.07Å; H252-M273 VanDerWaalsContact ND1-N 3.13Å; H252-M273 PolarHBondContact ND1-O 2.69Å; H252-M273 VanDerWaalsContact ND1-O 3.15Å; H252-Q314 PolarHBondContact O-N 3.02Å | ||
| 253 | L | 88.2 | Confident | 75.1 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 139.2 | -166.5 | 173.4 | 68.1 | 0 | 0 | 0 | 111.8 | L255 C271 M273 Q314 L316 I339 | L253-L255 HydrophobicContact CD2-CD2 3.83Å; L253-L255 HydrophobicContact CD2-CG 4.15Å; L253-L255 HydrophobicContact CG-CD2 4.29Å; L253-L255 HydrophobicContact CG-CG 4.41Å; L253-C271 HydrophobicContact CB-CB 4.27Å; L253-C271 HydrophobicContact CD2-CB 4.46Å; L253-C271 PolarHBondContact N-O 3.3Å; L253-C271 PolarHBondContact O-N 3.04Å; L253-M273 HydrophobicContact CB-CG 4Å; L253-M273 HydrophobicContact CB-SD 4.01Å; L253-M273 HydrophobicContact CD2-CG 4.44Å; L253-M273 HydrophobicContact CD2-SD 4.47Å; L253-Q314 CarbonylContact C-O 3.54Å; L253-Q314 WeakPolarHBondContact CA-O 3.47Å; L253-Q314 HydrophobicContact CD1-CB 4.47Å; L253-Q314 WeakPolarHBondContact CD1-O 3.49Å; L253-L316 HydrophobicContact CD1-CB 3.97Å; L253-L316 HydrophobicContact CD1-CD1 3.4Å; L253-L316 HydrophobicContact CD1-CG 3.41Å; L253-L316 VanDerWaalsContact CD1-CG 3.41Å; L253-L316 HydrophobicContact CD2-CD1 4.03Å; L253-L316 HydrophobicContact CG-CD1 4.35Å; L253-I339 HydrophobicContact CD2-CD1 3.87Å; L253-I339 HydrophobicContact CD2-CG1 4.45Å; L253-I339 HydrophobicContact CD2-CG2 4.23Å |
| 254 | H | 92.1 | Very high | 73.9 | Confident | 29 Ų | 29 | 57.9 Ų | 57.9 | 13% | 0.134 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 117.9 | 167.5 | -66 | 174.9 | 0 | 0 | 0 | 110 | E251 Q314 R315 L316 | E251-H254 IonicContact OE2-CD2 3.17Å; E251-H254 IonicContact OE2-CE1 3.02Å; E251-H254 PolarHBondContact OE2-CE1 3.27Å; E251-H254 IonicContact OE2-NE2 3.41Å; E251-H254 PolarHBondContact OE2-NE2 3.3Å; H254-Q314 PolarHBondContact N-O 2.85Å; H254-R315 HydrophobicContact CB-CG 4.18Å; H254-R315 WeakPolarHBondContact O-CA 3.23Å; H254-L316 PolarHBondContact O-N 3.1Å |
| 255 | L | 93.6 | Very high | 73.6 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 117.3 | 171.9 | -64.6 | 175.3 | 0 | 0 | 0 | 109.4 | L253 C268 V269 L316 L375 L395 L403 | L253-L255 HydrophobicContact CD2-CD2 3.83Å; L253-L255 HydrophobicContact CD2-CG 4.15Å; L253-L255 HydrophobicContact CG-CD2 4.29Å; L253-L255 HydrophobicContact CG-CG 4.41Å; L255-C268 CarbonylContact O-C 3.59Å; L255-C268 WeakPolarHBondContact O-CA 3.42Å; L255-V269 HydrophobicContact CB-CB 4.22Å; L255-V269 PolarHBondContact N-O 3.34Å; L255-V269 PolarHBondContact O-N 2.85Å; L255-L316 WeakPolarHBondContact CA-O 3.25Å; L255-L316 HydrophobicContact CD2-CB 4.13Å; L255-L316 HydrophobicContact CD2-CD1 4.43Å; L255-L375 HydrophobicContact CD2-CD1 3.94Å; L255-L375 HydrophobicContact CD2-CD2 4.34Å; L255-L395 HydrophobicContact CD1-CD2 3.84Å; L255-L395 HydrophobicContact CD2-CD2 4.23Å; L255-L403 HydrophobicContact CD1-CD1 4.29Å |
| 256 | L | 93.6 | Very high | 74.1 | Confident | 3 Ų | 3 | 61.4 Ų | 61.4 | 2% | 0.016 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 107.9 | 179.6 | -52.1 | 175.3 | 0 | 0 | 0 | 109.6 | P266 C268 R315 L316 R317 V318 E378 | L256-P266 HydrophobicContact CB-CB 4.36Å; L256-P266 HydrophobicContact CD2-CG 4.42Å; L256-C268 HydrophobicContact CD2-CB 4.07Å; L256-R315 HydrophobicContact CD1-CB 4.22Å; L256-L316 PolarHBondContact N-O 3.29Å; L256-R317 HydrophobicContact CB-CB 4.41Å; L256-R317 HydrophobicContact CB-CG 4.43Å; L256-V318 PolarHBondContact O-N 3.22Å; L256-E378 HydrophobicContact CD1-CG 4.16Å; L256-E378 WeakPolarHBondContact CD1-OE1 3.23Å; L256-E378 WeakPolarHBondContact CD1-OE2 3.37Å |
| 257 | L | 91.2 | Very high | 75.5 | Confident | 34 Ų | 34 | 60.3 Ų | 60.3 | 18% | 0.178 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 147.1 | 173.9 | -52.2 | 179.7 | 0 | 0 | 0 | 109.7 | S259 P266 V267 V269 V318 L362 L373 | L257-S259 PolarHBondContact O-N 2.81Å; L257-P266 WeakPolarHBondContact O-CB 3.4Å; L257-V267 HydrophobicContact CB-CB 4.2Å; L257-V267 HydrophobicContact CD1-CG1 4.23Å; L257-V267 PolarHBondContact N-O 3.45Å; L257-V267 PolarHBondContact O-N 3.21Å; L257-V269 HydrophobicContact CD1-CG2 4.04Å; L257-V269 HydrophobicContact CG-CG2 4.42Å; L257-V318 HydrophobicContact CD2-CG2 3.7Å; L257-L362 HydrophobicContact CD1-CD1 4.47Å; L257-L362 HydrophobicContact CD2-CD1 4.28Å; L257-L362 HydrophobicContact CD2-CD2 4.3Å; L257-L373 HydrophobicContact CD2-CD1 4.44Å |
| 258 | P | 84.4 | Confident | 77.2 | Confident | 90 Ų | 90 | 61.5 Ų | 61.5 | 58% | 0.584 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 134.4 | 175 | 25.6 | -33.4 | 0 | 0 | 0 | 110.6 | ||
| 259 | S | 74.7 | Confident | 78.9 | Confident | 41 Ų | 41 | 61 Ų | 61 | 29% | 0.287 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 143 | 175.7 | -52.4 | 0 | 0 | 0 | 0 | 111 | L257 S263 L265 P266 | L257-S259 PolarHBondContact O-N 2.81Å; S259-S263 VanDerWaalsContact CB-O 3.23Å; S259-S263 WeakPolarHBondContact CB-O 3.18Å; S259-S263 PolarHBondContact OG-O 3.03Å; S259-L265 PolarHBondContact OG-O 3.44Å; S259-P266 WeakPolarHBondContact OG-CA 3.2Å |
| 260 | P | 64.5 | Low | 80.2 | Confident | 88 Ų | 88 | 59.2 Ų | 59.2 | 57% | 0.571 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 147 | 158.6 | 27.5 | -30.7 | 0 | 0 | 0 | 108.7 | D262 S263 | P260-D262 PolarHBondContact O-N 3.04Å; P260-S263 PolarHBondContact O-N 3.07Å |
| 261 | S | 59.7 | Low | 81 | Confident | 120 Ų | 120 | 53.1 Ų | 53.1 | 84% | 0.839 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | -7.4 | -165.5 | 42.4 | 0 | 0 | 0 | 0 | 118 | ||
| 262 | D | 57.9 | Low | 81.2 | Confident | 156 Ų | 156 | 51.9 Ų | 51.9 | 83% | 0.834 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.7 | -5 | -174 | -64.4 | -31.3 | 0 | 0 | 0 | 114.8 | P260 | P260-D262 PolarHBondContact O-N 3.04Š|
| 263 | S | 59.6 | Low | 81.4 | Confident | 51 Ų | 51 | 50.8 Ų | 50.8 | 36% | 0.357 | 31% | 0.309 | S | S | . | . | trans | -118.1 | 130.9 | 175 | 73 | 0 | 0 | 0 | 0 | 112.4 | S259 P260 L265 | S259-S263 VanDerWaalsContact CB-O 3.23Å; S259-S263 WeakPolarHBondContact CB-O 3.18Å; S259-S263 PolarHBondContact OG-O 3.03Å; P260-S263 PolarHBondContact O-N 3.07Å; S263-L265 PolarHBondContact O-N 2.96Å | ||
| 264 | P | 64.1 | Low | 81.2 | Confident | 127 Ų | 127 | 52.5 Ų | 52.5 | 83% | 0.825 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -76.4 | -7.8 | -178.6 | 29.5 | -34 | 0 | 0 | 0 | 113.5 | ||
| 265 | L | 73.1 | Confident | 80.9 | Confident | 133 Ų | 133 | 51.9 Ų | 51.9 | 70% | 0.696 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -104.4 | 126.8 | -176.2 | -67.2 | 171.8 | 0 | 0 | 0 | 110.7 | S259 S263 | S259-L265 PolarHBondContact OG-O 3.44Å; S263-L265 PolarHBondContact O-N 2.96Å |
| 266 | P | 79.4 | Confident | 80.3 | Confident | 52 Ų | 52 | 59.5 Ų | 59.5 | 34% | 0.338 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -63 | 141.5 | 174.4 | 27 | -33.2 | 0 | 0 | 0 | 110.5 | L256 L257 S259 C268 | L256-P266 HydrophobicContact CB-CB 4.36Å; L256-P266 HydrophobicContact CD2-CG 4.42Å; L257-P266 WeakPolarHBondContact O-CB 3.4Å; S259-P266 WeakPolarHBondContact OG-CA 3.2Å; P266-C268 PolarHBondContact O-N 3.14Å |
| 267 | V | 88.9 | Confident | 79.8 | Confident | 51 Ų | 51 | 62.8 Ų | 62.8 | 31% | 0.309 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 118.3 | 170.8 | 177.6 | 0 | 0 | 0 | 0 | 107.3 | L257 L358 | L257-V267 HydrophobicContact CB-CB 4.2Å; L257-V267 HydrophobicContact CD1-CG1 4.23Å; L257-V267 PolarHBondContact N-O 3.45Å; L257-V267 PolarHBondContact O-N 3.21Å; V267-L358 HydrophobicContact CG1-CD1 4.25Å; V267-L358 HydrophobicContact CG1-CD2 4.43Å |
| 268 | C | 92 | Very high | 79.4 | Confident | 44 Ų | 44 | 63.4 Ų | 63.4 | 30% | 0.297 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 126.5 | -177.6 | -172.9 | 0 | 0 | 0 | 0 | 109.8 | L255 L256 P266 | L255-C268 CarbonylContact O-C 3.59Å; L255-C268 WeakPolarHBondContact O-CA 3.42Å; L256-C268 HydrophobicContact CD2-CB 4.07Å; P266-C268 PolarHBondContact O-N 3.14Å |
| 269 | V | 94 | Very high | 79.3 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 119.1 | 170.3 | -171.2 | 0 | 0 | 0 | 0 | 108.1 | L255 L257 L358 F359 | L255-V269 HydrophobicContact CB-CB 4.22Å; L255-V269 PolarHBondContact N-O 3.34Å; L255-V269 PolarHBondContact O-N 2.85Å; L257-V269 HydrophobicContact CD1-CG2 4.04Å; L257-V269 HydrophobicContact CG-CG2 4.42Å; V269-L358 HydrophobicContact CG2-CB 4.38Å; V269-F359 HydrophobicContact CG1-CB 3.84Å; V269-F359 HydrophobicContact CG1-CD2 3.71Å; V269-F359 HydrophobicContact CG1-CG 4.28Å |
| 270 | K | 93.4 | Very high | 79.5 | Confident | 37 Ų | 37 | 60.4 Ų | 60.4 | 16% | 0.161 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 129.5 | -177.7 | -62.7 | 169.8 | 158.5 | -157.1 | 0 | 109.8 | E251 T342 L347 E351 N355 | E251-K270 VanDerWaalsContact OE1-CD 3.23Å; E251-K270 WeakPolarHBondContact OE1-CD 3.46Å; E251-K270 VanDerWaalsContact OE1-CE 3.3Å; E251-K270 WeakPolarHBondContact OE1-CE 3.41Å; E251-K270 IonicContact OE1-NZ 3.1Å; E251-K270 PolarHBondContact OE1-NZ 3.02Å; K270-T342 HydrophobicContact CB-CG2 3.63Å; K270-T342 PolarHBondContact O-N 2.57Å; K270-T342 VanDerWaalsContact O-N 3.11Å; K270-L347 HydrophobicContact CD-CD1 4.22Å; K270-L347 HydrophobicContact CD-CD2 4.06Å; K270-E351 VanDerWaalsContact CE-OE1 3.24Å; K270-E351 WeakPolarHBondContact CE-OE1 3.43Å; K270-E351 IonicContact NZ-OE1 2.89Å; K270-E351 PolarHBondContact NZ-OE1 3.3Å; K270-E351 IonicContact NZ-OE2 2.61Å; K270-N355 PolarHBondContact N-OD1 3.44Å; K270-N355 PolarHBondContact O-ND2 2.92Å |
| 271 | C | 91.4 | Very high | 80.2 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 151.3 | -167.5 | -57.8 | 0 | 0 | 0 | 0 | 113.1 | H252 L253 I339 R340 | H252-C271 PolarHBondContact N-O 2.78Å; H252-C271 VanDerWaalsContact N-O 3.1Å; L253-C271 HydrophobicContact CB-CB 4.27Å; L253-C271 HydrophobicContact CD2-CB 4.46Å; L253-C271 PolarHBondContact N-O 3.3Å; L253-C271 PolarHBondContact O-N 3.04Å; C271-I339 HydrophobicContact CB-CG2 3.45Å; C271-I339 VanDerWaalsContact CB-CG2 3.45Å; C271-R340 CarbonylContact C-O 3.59Å; C271-R340 WeakPolarHBondContact CA-O 3.38Å; C271-R340 VanDerWaalsContact CB-O 3.28Å; C271-R340 WeakPolarHBondContact CB-O 3.5Å |
| 272 | D | 87.9 | Confident | 81.1 | Confident | 7 Ų | 7 | 53.8 Ų | 53.8 | 4% | 0.037 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 141.9 | 166.3 | -65.9 | -15.2 | 0 | 0 | 0 | 109.7 | I339 R340 T342 T343 | D272-I339 WeakPolarHBondContact O-CA 3.4Å; D272-R340 PolarHBondContact N-O 3.23Å; D272-R340 PolarHBondContact O-N 2.64Å; D272-T342 VanDerWaalsContact OD1-CB 3.31Å; D272-T342 WeakPolarHBondContact OD1-CB 3.46Å; D272-T342 PolarHBondContact OD1-OG1 3.38Å; D272-T342 WeakPolarHBondContact OD2-CA 3.43Å; D272-T342 PolarHBondContact OD2-OG1 3.04Å; D272-T343 PolarHBondContact OD2-N 2.97Å |
| 273 | M | 85.7 | Confident | 82.2 | Confident | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.015 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 136.4 | 176.6 | -57.9 | -179.5 | 70.2 | 0 | 0 | 110.5 | H252 L253 V296 F299 L337 V338 I339 L405 | H252-M273 HydrophobicContact CB-CB 4.05Å; H252-M273 HydrophobicContact CB-CG 3.77Å; H252-M273 HydrophobicContact CB-SD 4.28Å; H252-M273 PolarHBondContact ND1-N 3.07Å; H252-M273 VanDerWaalsContact ND1-N 3.13Å; H252-M273 PolarHBondContact ND1-O 2.69Å; H252-M273 VanDerWaalsContact ND1-O 3.15Å; L253-M273 HydrophobicContact CB-CG 4Å; L253-M273 HydrophobicContact CB-SD 4.01Å; L253-M273 HydrophobicContact CD2-CG 4.44Å; L253-M273 HydrophobicContact CD2-SD 4.47Å; M273-V296 HydrophobicContact CB-CG1 4.05Å; M273-V296 HydrophobicContact CB-CG2 4.04Å; M273-F299 HydrophobicContact CE-CB 4.08Å; M273-F299 HydrophobicContact CE-CD1 3.94Å; M273-F299 HydrophobicContact CE-CE1 4.48Å; M273-F299 HydrophobicContact CE-CG 3.95Å; M273-F299 HydrophobicContact SD-CB 4.49Å; M273-L337 HydrophobicContact CE-CB 4.28Å; M273-L337 HydrophobicContact CE-CD1 3.4Å; M273-L337 HydrophobicContact CE-CG 4.48Å; M273-V338 CarbonylContact C-O 3.56Å; M273-I339 HydrophobicContact CB-CD1 4.29Å; M273-I339 HydrophobicContact CE-CD1 4.14Å; M273-I339 HydrophobicContact CG-CD1 3.66Å; M273-L405 HydrophobicContact CE-CD2 3.71Å |
| 274 | L | 84.6 | Confident | 82.6 | Confident | 36 Ų | 36 | 49.2 Ų | 49.2 | 19% | 0.188 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 135 | -179.2 | -63.8 | 173.5 | 0 | 0 | 0 | 111.2 | V338 R340 | L274-V338 HydrophobicContact CB-CB 4.3Å; L274-V338 PolarHBondContact N-O 3.13Å; L274-V338 PolarHBondContact O-N 2.84Å; L274-R340 HydrophobicContact CD1-CG 4.36Å; L274-R340 VanDerWaalsContact CD1-NH1 3.25Å |
| 275 | E | 84.5 | Confident | 82.6 | Confident | 16 Ų | 16 | 49.3 Ų | 49.3 | 8% | 0.075 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 128.5 | 170.5 | -60.9 | -177.9 | 171.6 | 0 | 0 | 109.9 | R66 S295 V296 L337 | R66-E275 IonicContact CZ-OE2 3.45Å; R66-E275 IonicContact NH1-OE2 2.64Å; R66-E275 PolarHBondContact NH1-OE2 2.84Å; R66-E275 IonicContact NH2-OE1 2.71Å; R66-E275 IonicContact NH2-OE2 3.8Å; R66-E275 PolarHBondContact NH2-OE2 3.34Å; E275-S295 VanDerWaalsContact OE1-CA 3.24Å; E275-S295 WeakPolarHBondContact OE1-CA 3.33Å; E275-S295 VanDerWaalsContact OE1-CB 3.3Å; E275-S295 WeakPolarHBondContact OE1-CB 3.33Å; E275-S295 PolarHBondContact OE1-OG 3.08Å; E275-V296 HydrophobicContact CG-CG2 3.73Å; E275-V296 PolarHBondContact OE1-N 3.37Å; E275-L337 HydrophobicContact CG-CD2 4.11Å |
| 276 | R | 82.1 | Confident | 81.8 | Confident | 161 Ų | 161 | 45.6 Ų | 45.6 | 61% | 0.608 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -86.1 | -24.6 | 175.7 | -176.6 | 57.2 | -175.6 | 90.7 | -4.1 | 113 | V338 | R276-V338 HydrophobicContact CB-CG2 4.04Š|
| 277 | L | 83.3 | Confident | 80.5 | Confident | 72 Ų | 72 | 48.4 Ų | 48.4 | 38% | 0.377 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -147.6 | 146.8 | -171 | 54 | 93 | 0 | 0 | 0 | 108.7 | L335 P336 | L277-L335 HydrophobicContact CD1-CB 4.03Å; L277-L335 HydrophobicContact CD1-CD1 3.53Å; L277-L335 HydrophobicContact CD1-CD2 3.43Å; L277-L335 VanDerWaalsContact CD1-CD2 3.43Å; L277-L335 HydrophobicContact CD1-CG 3.81Å; L277-P336 HydrophobicContact CD2-CG 4.42Å |
| 278 | I | 82.9 | Confident | 78.7 | Confident | 46 Ų | 46 | 51.2 Ų | 51.2 | 24% | 0.236 | 30% | 0.302 | C | S | . | . | trans | -76.7 | 133.2 | 175.2 | -60.1 | 169.4 | 0 | 0 | 0 | 107.4 | L57 L61 L243 P280 L282 | L57-I278 HydrophobicContact CD2-CD1 3.96Å; L61-I278 HydrophobicContact CD1-CD1 4.28Å; L61-I278 HydrophobicContact CD1-CG2 4.17Å; L61-I278 HydrophobicContact CD2-CG2 3.69Å; L243-I278 HydrophobicContact CB-CD1 4.41Å; L243-I278 HydrophobicContact CD1-CD1 3.61Å; I278-P280 WeakPolarHBondContact O-CD 3.39Å; I278-L282 HydrophobicContact CG2-CD1 4.24Å | ||
| 279 | S | 81.1 | Confident | 76.7 | Confident | 4 Ų | 4 | 54.6 Ų | 54.6 | 3% | 0.028 | 32% | 0.316 | C | S | . | . | trans | -54.5 | 123.1 | 176.8 | 155.6 | 0 | 0 | 0 | 0 | 111.6 | A281 L282 E294 L335 | S279-A281 PolarHBondContact O-N 3.21Å; S279-A281 WeakPolarHBondContact OG-CB 3.14Å; S279-A281 PolarHBondContact OG-N 3.2Å; S279-L282 WeakPolarHBondContact O-CB 3.46Å; S279-L282 PolarHBondContact O-N 3.43Å; S279-E294 WeakPolarHBondContact CB-OE2 3.33Å; S279-E294 PolarHBondContact OG-OE2 3Å; S279-L335 VanDerWaalsContact CA-CD1 3.43Å | ||
| 280 | P | 80.6 | Confident | 74.7 | Confident | 65 Ų | 65 | 57.2 Ų | 57.2 | 42% | 0.422 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -60.7 | -25.5 | 173.3 | -24.6 | 35.5 | 0 | 0 | 0 | 113 | I278 L282 V283 T286 | I278-P280 WeakPolarHBondContact O-CD 3.39Å; P280-L282 PolarHBondContact O-N 2.94Å; P280-V283 WeakPolarHBondContact O-CB 3.3Å; P280-V283 PolarHBondContact O-N 3.11Å; P280-T286 VanDerWaalsContact O-CG2 3.26Å; P280-T286 WeakPolarHBondContact O-CG2 3.39Å; P280-T286 PolarHBondContact O-OG1 2.88Å |
| 281 | A | 78.1 | Confident | 72.8 | Confident | 33 Ų | 33 | 61.1 Ų | 61.1 | 27% | 0.273 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -66.9 | -15.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S279 V283 E294 | S279-A281 PolarHBondContact O-N 3.21Å; S279-A281 WeakPolarHBondContact OG-CB 3.14Å; S279-A281 PolarHBondContact OG-N 3.2Å; A281-V283 VanDerWaalsContact C-N 3.32Å; A281-E294 WeakPolarHBondContact CB-OE2 3.13Å |
| 282 | L | 79.4 | Confident | 71.4 | Confident | 35 Ų | 35 | 69.2 Ų | 69.2 | 18% | 0.183 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -83.8 | -6.8 | 172.6 | -56.4 | 177 | 0 | 0 | 0 | 113 | L61 D62 I278 S279 P280 P284 | L61-L282 WeakPolarHBondContact CA-O 3.24Å; L61-L282 HydrophobicContact CD2-CB 4.09Å; D62-L282 PolarHBondContact N-O 3.34Å; I278-L282 HydrophobicContact CG2-CD1 4.24Å; S279-L282 WeakPolarHBondContact O-CB 3.46Å; S279-L282 PolarHBondContact O-N 3.43Å; P280-L282 PolarHBondContact O-N 2.94Å; L282-P284 WeakPolarHBondContact O-CD 3.44Å |
| 283 | V | 80.5 | Confident | 69.9 | Low | 55 Ų | 55 | 69.8 Ų | 69.8 | 33% | 0.333 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -89.7 | 117.3 | 179.5 | -177.7 | 0 | 0 | 0 | 0 | 108.8 | L61 P280 A281 S285 T286 | L61-V283 HydrophobicContact CD2-CG2 4.43Å; P280-V283 WeakPolarHBondContact O-CB 3.3Å; P280-V283 PolarHBondContact O-N 3.11Å; A281-V283 VanDerWaalsContact C-N 3.32Å; V283-S285 PolarHBondContact O-N 2.91Å; V283-T286 HydrophobicContact CB-CG2 4.34Å; V283-T286 PolarHBondContact O-N 2.99Å; V283-T286 PolarHBondContact O-OG1 2.85Å; V283-T286 VanDerWaalsContact O-OG1 3.08Å |
| 284 | P | 67.8 | Low | 68.9 | Low | 57 Ų | 57 | 70.4 Ų | 70.4 | 37% | 0.37 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 129.6 | 178.8 | 19.5 | -29.3 | 0 | 0 | 0 | 109.4 | S60 L282 | S60-P284 WeakPolarHBondContact O-CD 3.42Å; S60-P284 VanDerWaalsContact O-CG 3.26Å; S60-P284 WeakPolarHBondContact O-CG 3.24Å; L282-P284 WeakPolarHBondContact O-CD 3.44Å |
| 285 | S | 63.4 | Low | 68 | Low | 128 Ų | 128 | 69.4 Ų | 69.4 | 90% | 0.895 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.1 | -1.5 | -174.4 | -38.7 | 0 | 0 | 0 | 0 | 116.7 | V283 | V283-S285 PolarHBondContact O-N 2.91Š|
| 286 | T | 56.7 | Low | 66.9 | Low | 55 Ų | 55 | 68.8 Ų | 68.8 | 34% | 0.337 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -77.3 | 130.4 | 165.4 | 54.8 | 0 | 0 | 0 | 0 | 109.8 | P280 V283 S288 | P280-T286 VanDerWaalsContact O-CG2 3.26Å; P280-T286 WeakPolarHBondContact O-CG2 3.39Å; P280-T286 PolarHBondContact O-OG1 2.88Å; V283-T286 HydrophobicContact CB-CG2 4.34Å; V283-T286 PolarHBondContact O-N 2.99Å; V283-T286 PolarHBondContact O-OG1 2.85Å; V283-T286 VanDerWaalsContact O-OG1 3.08Å; T286-S288 PolarHBondContact O-N 3.15Å |
| 287 | P | 52.8 | Low | 66.1 | Low | 112 Ų | 112 | 64.1 Ų | 64.1 | 73% | 0.727 | 39% | 0.387 | S | S | * | . | trans | -58.4 | 125.5 | 170.4 | 23.8 | -30.2 | 0 | 0 | 0 | 107.1 | L289 | P287-L289 PolarHBondContact O-N 3.5Š| ||
| 288 | S | 50.6 | Low | 65.2 | Low | 110 Ų | 110 | 63.9 Ų | 63.9 | 77% | 0.769 | 39% | 0.386 | S | S | * | . | trans | -47.4 | 93.7 | -169.4 | 57.2 | 0 | 0 | 0 | 0 | 112.3 | T286 | T286-S288 PolarHBondContact O-N 3.15Š| ||
| 289 | L | 51 | Low | 64.2 | Low | 114 Ų | 114 | 61.9 Ų | 61.9 | 60% | 0.597 | 38% | 0.376 | S | S | * | . | trans | -72.5 | 137 | 165.8 | -123.4 | 70.5 | 0 | 0 | 0 | 106.4 | P287 | P287-L289 PolarHBondContact O-N 3.5Š| ||
| 290 | G | 52 | Low | 63.2 | Low | 55 Ų | 55 | 64.5 Ų | 64.5 | 57% | 0.567 | 39% | 0.389 | S | S | * | . | trans | -50.3 | 145.1 | -163.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | K292 | G290-K292 PolarHBondContact O-N 3.32Š| ||
| 291 | V | 53.6 | Low | 62 | Low | 119 Ų | 119 | 63.9 Ų | 63.9 | 72% | 0.721 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | 7.1 | -155.1 | -178.4 | 0 | 0 | 0 | 0 | 115.8 | ||
| 292 | K | 61.6 | Low | 60.8 | Low | 170 Ų | 170 | 66.3 Ų | 66.3 | 74% | 0.739 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.7 | 17.1 | -160.4 | -69.5 | -168.5 | 172.5 | -178.4 | 0 | 118.9 | G290 D298 | G290-K292 PolarHBondContact O-N 3.32Å; K292-D298 WeakPolarHBondContact O-CB 3.24Å |
| 293 | T | 56.5 | Low | 59.4 | Low | 19 Ų | 19 | 68.7 Ų | 68.7 | 12% | 0.117 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -147 | 31.3 | 176.2 | 51.5 | 0 | 0 | 0 | 0 | 112.7 | D298 Y333 L335 P407 | T293-D298 PolarHBondContact N-OD2 2.82Å; T293-Y333 HydrophobicContact CG2-CD2 4.33Å; T293-Y333 HydrophobicContact CG2-CE2 3.45Å; T293-Y333 VanDerWaalsContact CG2-CE2 3.45Å; T293-L335 PolarHBondContact O-N 3.08Å; T293-P407 HydrophobicContact CG2-CB 4.25Å; T293-P407 HydrophobicContact CG2-CG 3.96Å |
| 294 | E | 65 | Low | 57.7 | Low | 17 Ų | 17 | 75.6 Ų | 75.6 | 8% | 0.079 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -122 | -7.3 | -166.9 | -59.4 | -157.5 | 175.4 | 0 | 0 | 113.5 | S279 A281 D298 L335 | S279-E294 WeakPolarHBondContact CB-OE2 3.33Å; S279-E294 PolarHBondContact OG-OE2 3Å; A281-E294 WeakPolarHBondContact CB-OE2 3.13Å; E294-D298 PolarHBondContact N-OD2 2.77Å; E294-L335 HydrophobicContact CB-CD1 3.64Å; E294-L335 HydrophobicContact CB-CG 4.15Å; E294-L335 HydrophobicContact CG-CD1 4.03Å; E294-L335 HydrophobicContact CG-CG 4.12Å; E294-L335 WeakPolarHBondContact O-CD1 3.3Å |
| 295 | S | 65.1 | Low | 56.5 | Low | 15 Ų | 15 | 75 Ų | 75 | 11% | 0.105 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -135.7 | 154.9 | 172.9 | -179.8 | 0 | 0 | 0 | 0 | 111.3 | E275 R297 D298 F299 | E275-S295 VanDerWaalsContact OE1-CA 3.24Å; E275-S295 WeakPolarHBondContact OE1-CA 3.33Å; E275-S295 VanDerWaalsContact OE1-CB 3.3Å; E275-S295 WeakPolarHBondContact OE1-CB 3.33Å; E275-S295 PolarHBondContact OE1-OG 3.08Å; S295-R297 PolarHBondContact O-N 3.37Å; S295-R297 PolarHBondContact OG-N 2.67Å; S295-D298 PolarHBondContact N-OD2 3.49Å; S295-D298 WeakPolarHBondContact O-CB 3.49Å; S295-D298 PolarHBondContact O-N 2.8Å; S295-F299 VanDerWaalsContact O-CD2 3.24Å; S295-F299 WeakPolarHBondContact O-CD2 3.38Å |
| 296 | V | 60.3 | Low | 55.1 | Low | 2 Ų | 2 | 76.1 Ų | 76.1 | 1% | 0.012 | 46% | 0.455 | C | S | . | . | G | 310 helix | trans | -50.5 | -30.9 | 169.5 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | M273 E275 D298 F299 L300 L337 | M273-V296 HydrophobicContact CB-CG1 4.05Å; M273-V296 HydrophobicContact CB-CG2 4.04Å; E275-V296 HydrophobicContact CG-CG2 3.73Å; E275-V296 PolarHBondContact OE1-N 3.37Å; V296-D298 VanDerWaalsContact C-N 3.29Å; V296-D298 PolarHBondContact O-N 3.36Å; V296-F299 WeakPolarHBondContact O-CB 3.3Å; V296-F299 PolarHBondContact O-N 2.85Å; V296-F299 VanDerWaalsContact O-N 3.09Å; V296-L300 PolarHBondContact O-N 2.64Å; V296-L337 HydrophobicContact CG2-CD1 4.19Å; V296-L337 HydrophobicContact CG2-CD2 4.06Å |
| 297 | R | 65.2 | Low | 54.4 | Low | 64 Ų | 64 | 75.5 Ų | 75.5 | 24% | 0.242 | 46% | 0.46 | C | S | . | . | G | 310 helix | trans | -65.8 | -28 | 179.4 | -59.4 | -176.2 | -169.1 | 158.2 | 9.5 | 114.3 | L23 P64 E245 S295 F299 L300 | L23-R297 VanDerWaalsContact CD2-CZ 3.46Å; P64-R297 VanDerWaalsContact CB-NH1 3.3Å; P64-R297 VanDerWaalsContact CD-NH1 3.26Å; E245-R297 IonicContact OE1-CZ 3.21Å; E245-R297 IonicContact OE1-NE 2.71Å; E245-R297 PolarHBondContact OE1-NE 2.74Å; E245-R297 IonicContact OE1-NH2 2.78Å; E245-R297 PolarHBondContact OE1-NH2 2.75Å; S295-R297 PolarHBondContact O-N 3.37Å; S295-R297 PolarHBondContact OG-N 2.67Å; R297-F299 PolarHBondContact O-N 2.88Å; R297-L300 PolarHBondContact O-N 2.82Å |
| 298 | D | 64.2 | Low | 53.9 | Low | 67 Ų | 67 | 78.9 Ų | 78.9 | 36% | 0.358 | 47% | 0.472 | S | S | . | . | G | 310 helix | trans | -68.8 | -17.4 | 177.1 | -59.8 | -32.2 | 0 | 0 | 0 | 111.6 | K292 T293 E294 S295 V296 | K292-D298 WeakPolarHBondContact O-CB 3.24Å; T293-D298 PolarHBondContact N-OD2 2.82Å; E294-D298 PolarHBondContact N-OD2 2.77Å; S295-D298 PolarHBondContact N-OD2 3.49Å; S295-D298 WeakPolarHBondContact O-CB 3.49Å; S295-D298 PolarHBondContact O-N 2.8Å; V296-D298 VanDerWaalsContact C-N 3.29Å; V296-D298 PolarHBondContact O-N 3.36Å |
| 299 | F | 62.2 | Low | 53.7 | Low | 4 Ų | 4 | 81.9 Ų | 81.9 | 2% | 0.018 | 47% | 0.473 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -27.1 | -179.2 | -64.9 | -108 | 0 | 0 | 0 | 112.1 | M273 S295 V296 R297 Q314 L337 Y393 L405 P407 | M273-F299 HydrophobicContact CE-CB 4.08Å; M273-F299 HydrophobicContact CE-CD1 3.94Å; M273-F299 HydrophobicContact CE-CE1 4.48Å; M273-F299 HydrophobicContact CE-CG 3.95Å; M273-F299 HydrophobicContact SD-CB 4.49Å; S295-F299 VanDerWaalsContact O-CD2 3.24Å; S295-F299 WeakPolarHBondContact O-CD2 3.38Å; V296-F299 WeakPolarHBondContact O-CB 3.3Å; V296-F299 PolarHBondContact O-N 2.85Å; V296-F299 VanDerWaalsContact O-N 3.09Å; R297-F299 PolarHBondContact O-N 2.88Å; F299-Q314 PolarHBondContact O-NE2 3.48Å; F299-Q314 PolarHBondContact O-OE1 3.21Å; F299-L337 HydrophobicContact CD1-CD1 4.36Å; F299-L337 HydrophobicContact CD2-CD1 3.53Å; F299-L337 HydrophobicContact CE1-CD1 4.11Å; F299-L337 HydrophobicContact CE2-CD1 3.3Å; F299-L337 HydrophobicContact CE2-CG 4.3Å; F299-L337 HydrophobicContact CG-CD1 4.09Å; F299-L337 HydrophobicContact CZ-CD1 3.62Å; F299-L337 HydrophobicContact CZ-CG 4.4Å; F299-Y393 AromaticContact CD1-CE1 3.93Å; F299-Y393 HydrophobicContact CD1-CE1 3.93Å; F299-Y393 AromaticContact CD1-CZ 3.86Å; F299-Y393 AromaticContact CE1-CD1 3.87Å; F299-Y393 HydrophobicContact CE1-CD1 3.87Å; F299-Y393 AromaticContact CE1-CE1 3.18Å; F299-Y393 HydrophobicContact CE1-CE1 3.18Å; F299-Y393 AromaticContact CE1-CZ 3.6Å; F299-Y393 AromaticContact CZ-CE1 3.95Å; F299-Y393 HydrophobicContact CZ-CE1 3.95Å; F299-L405 HydrophobicContact CD1-CD2 4.21Å; F299-L405 HydrophobicContact CE1-CD2 3.94Å; F299-P407 HydrophobicContact CZ-CG 4.37Å |
| 300 | L | 60.5 | Low | 53.8 | Low | 59 Ų | 59 | 80 Ų | 80 | 31% | 0.309 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -70.4 | 138.6 | 178.2 | -63.7 | 175.8 | 0 | 0 | 0 | 110.8 | V296 R297 A302 | V296-L300 PolarHBondContact O-N 2.64Å; R297-L300 PolarHBondContact O-N 2.82Å; L300-A302 PolarHBondContact O-N 3.08Å |
| 301 | P | 56.3 | Low | 54.2 | Low | 52 Ų | 52 | 80 Ų | 80 | 34% | 0.338 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 133.4 | 177.6 | 21.7 | -29.8 | 0 | 0 | 0 | 110.5 | V303 T312 | P301-V303 PolarHBondContact O-N 3.47Å; P301-V303 VanDerWaalsContact O-N 3.11Å; P301-T312 WeakPolarHBondContact CG-O 3.45Å |
| 302 | A | 52.4 | Low | 54.9 | Low | 84 Ų | 84 | 79.4 Ų | 79.4 | 69% | 0.694 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 118.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | L300 K304 | L300-A302 PolarHBondContact O-N 3.08Å; A302-K304 VanDerWaalsContact C-N 3.32Å; A302-K304 PolarHBondContact O-N 3.27Å |
| 303 | V | 50.8 | Low | 55.8 | Low | 84 Ų | 84 | 73 Ų | 73 | 51% | 0.509 | 43% | 0.433 | S | S | . | . | trans | -62.9 | 93.4 | 177.5 | -177.3 | 0 | 0 | 0 | 0 | 108.6 | P301 P311 | P301-V303 PolarHBondContact O-N 3.47Å; P301-V303 VanDerWaalsContact O-N 3.11Å; V303-P311 HydrophobicContact CG2-CB 4.25Å; V303-P311 HydrophobicContact CG2-CG 4.32Å | ||
| 304 | K | 43.6 | Very low | 57 | Low | 200 Ų | 200 | 73.3 Ų | 73.3 | 87% | 0.87 | 43% | 0.432 | S | S | * | . | trans | -107.3 | 82 | 171.4 | -74.9 | -173.3 | 177.6 | -180 | 0 | 108.4 | A302 | A302-K304 VanDerWaalsContact C-N 3.32Å; A302-K304 PolarHBondContact O-N 3.27Å | ||
| 305 | G | 42.1 | Very low | 58.1 | Low | 44 Ų | 44 | 77.6 Ų | 77.6 | 45% | 0.454 | 45% | 0.448 | S | S | . | . | trans | -168 | 139.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G307 | G305-G307 PolarHBondContact O-N 2.8Š| ||
| 306 | P | 34.8 | Very low | 59.3 | Low | 153 Ų | 153 | 76.9 Ų | 76.9 | 99% | 0.994 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -80 | 16.4 | 177.3 | 33.8 | -34.1 | 0 | 0 | 0 | 113.2 | ||
| 307 | G | 41.9 | Very low | 60.8 | Low | 42 Ų | 42 | 83.4 Ų | 83.4 | 43% | 0.433 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -120.1 | 145.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | G305 Q309 | G305-G307 PolarHBondContact O-N 2.8Å; G307-Q309 PolarHBondContact O-N 2.86Å |
| 308 | N | 41.8 | Very low | 62.2 | Low | 183 Ų | 183 | 81 Ų | 81 | 98% | 0.979 | 46% | 0.46 | S | S | * | . | trans | -60.9 | 32.5 | 173.3 | -86.8 | -16.9 | 0 | 0 | 0 | 114.5 | ||||
| 309 | Q | 47.1 | Very low | 63.5 | Low | 172 Ų | 172 | 81.4 Ų | 81.4 | 80% | 0.804 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -80.7 | 126.9 | 174.5 | -62.5 | -173 | 24.4 | 0 | 0 | 108.7 | G307 | G307-Q309 PolarHBondContact O-N 2.86Š|
| 310 | S | 53 | Low | 65 | Low | 74 Ų | 74 | 87.3 Ų | 87.3 | 52% | 0.517 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 133.4 | 172.7 | 48.1 | 0 | 0 | 0 | 0 | 109.8 | T312 | S310-T312 PolarHBondContact O-N 3.31Š|
| 311 | P | 60.9 | Low | 66.7 | Low | 56 Ų | 56 | 88.3 Ų | 88.3 | 36% | 0.364 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -57 | 137.7 | 174.7 | 21.7 | -30.9 | 0 | 0 | 0 | 110.1 | V303 | V303-P311 HydrophobicContact CG2-CB 4.25Å; V303-P311 HydrophobicContact CG2-CG 4.32Å |
| 312 | T | 67.8 | Low | 68.6 | Low | 107 Ų | 107 | 87.6 Ų | 87.6 | 66% | 0.656 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 143.7 | 176.3 | 43.9 | 0 | 0 | 0 | 0 | 110.3 | P301 S310 | P301-T312 WeakPolarHBondContact CG-O 3.45Å; S310-T312 PolarHBondContact O-N 3.31Å |
| 313 | P | 79.6 | Confident | 70.6 | Confident | 36 Ų | 36 | 88 Ų | 88 | 23% | 0.234 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 142.5 | 174 | -24.2 | 34.3 | 0 | 0 | 0 | 111.2 | E251 | E251-P313 HydrophobicContact CB-CB 4.47Å; E251-P313 HydrophobicContact CB-CG 4.08Å |
| 314 | Q | 82.4 | Confident | 72.5 | Confident | 24 Ų | 24 | 85.3 Ų | 85.3 | 11% | 0.112 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 138.6 | 176.4 | -170.1 | 178.6 | 31.5 | 0 | 0 | 109.5 | H252 L253 H254 F299 V377 | H252-Q314 PolarHBondContact O-N 3.02Å; L253-Q314 CarbonylContact C-O 3.54Å; L253-Q314 WeakPolarHBondContact CA-O 3.47Å; L253-Q314 HydrophobicContact CD1-CB 4.47Å; L253-Q314 WeakPolarHBondContact CD1-O 3.49Å; H254-Q314 PolarHBondContact N-O 2.85Å; F299-Q314 PolarHBondContact O-NE2 3.48Å; F299-Q314 PolarHBondContact O-OE1 3.21Å; Q314-V377 HydrophobicContact CG-CG1 4.32Å |
| 315 | R | 87.7 | Confident | 74.8 | Confident | 107 Ų | 107 | 82.1 Ų | 82.1 | 40% | 0.404 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 120 | 178.8 | -57.6 | -179.5 | 75.3 | -163.4 | -0.4 | 110.1 | H254 L256 E378 | H254-R315 HydrophobicContact CB-CG 4.18Å; H254-R315 WeakPolarHBondContact O-CA 3.23Å; L256-R315 HydrophobicContact CD1-CB 4.22Å; R315-E378 HydrophobicContact CB-CB 4.18Å; R315-E378 HydrophobicContact CB-CG 4.16Å; R315-E378 IonicContact CZ-OE2 3.21Å; R315-E378 IonicContact NE-OE2 3.35Å; R315-E378 PolarHBondContact NE-OE2 2.82Å; R315-E378 IonicContact NH1-OE2 3.18Å; R315-E378 PolarHBondContact NH1-OE2 2.79Å; R315-E378 IonicContact NH2-OE2 3.86Å; R315-E378 PolarHBondContact O-N 3.42Å |
| 316 | L | 90.7 | Very high | 77 | Confident | 0 Ų | 0 | 83.1 Ų | 83.1 | 0% | 0 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 118.4 | 176.2 | -68.9 | -178.9 | 0 | 0 | 0 | 109.3 | L253 H254 L255 L256 L375 R376 V377 Y393 L405 | L253-L316 HydrophobicContact CD1-CB 3.97Å; L253-L316 HydrophobicContact CD1-CD1 3.4Å; L253-L316 HydrophobicContact CD1-CG 3.41Å; L253-L316 VanDerWaalsContact CD1-CG 3.41Å; L253-L316 HydrophobicContact CD2-CD1 4.03Å; L253-L316 HydrophobicContact CG-CD1 4.35Å; H254-L316 PolarHBondContact O-N 3.1Å; L255-L316 WeakPolarHBondContact CA-O 3.25Å; L255-L316 HydrophobicContact CD2-CB 4.13Å; L255-L316 HydrophobicContact CD2-CD1 4.43Å; L256-L316 PolarHBondContact N-O 3.29Å; L316-L375 HydrophobicContact CB-CB 4.35Å; L316-L375 HydrophobicContact CB-CD1 4.29Å; L316-L375 HydrophobicContact CD1-CD1 3.88Å; L316-R376 WeakPolarHBondContact CA-O 3.42Å; L316-V377 HydrophobicContact CD2-CB 4.2Å; L316-V377 HydrophobicContact CD2-CG2 3.61Å; L316-Y393 HydrophobicContact CD1-CD2 4.34Å; L316-Y393 HydrophobicContact CD2-CD2 3.81Å; L316-Y393 HydrophobicContact CD2-CE2 4.01Å; L316-L405 HydrophobicContact CD1-CD1 3.98Å; L316-L405 HydrophobicContact CD1-CD2 4.09Å |
| 317 | R | 92.2 | Very high | 79.7 | Confident | 140 Ų | 140 | 77.1 Ų | 77.1 | 53% | 0.528 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 131.4 | 178.2 | -173.2 | 174.5 | -176.7 | -178.4 | 3.1 | 110.9 | L256 I319 L375 R376 E378 | L256-R317 HydrophobicContact CB-CB 4.41Å; L256-R317 HydrophobicContact CB-CG 4.43Å; R317-I319 PolarHBondContact O-N 3.18Å; R317-L375 CarbonylContact O-C 3.6Å; R317-L375 WeakPolarHBondContact O-CA 3.16Å; R317-R376 PolarHBondContact N-O 2.89Å; R317-R376 PolarHBondContact O-N 2.88Å; R317-E378 HydrophobicContact CB-CG 4.2Å |
| 318 | V | 94.1 | Very high | 81.9 | Confident | 13 Ų | 13 | 78.6 Ų | 78.6 | 8% | 0.079 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 123.1 | 169.3 | 179.3 | 0 | 0 | 0 | 0 | 109.1 | L256 L257 L373 L375 | L256-V318 PolarHBondContact O-N 3.22Å; L257-V318 HydrophobicContact CD2-CG2 3.7Å; V318-L373 HydrophobicContact CG1-CB 4.38Å; V318-L373 HydrophobicContact CG1-CD2 4.08Å; V318-L373 HydrophobicContact CG2-CB 4.48Å; V318-L373 HydrophobicContact CG2-CD1 3.91Å; V318-L375 HydrophobicContact CB-CD2 4.25Å; V318-L375 HydrophobicContact CG2-CD2 3.49Å; V318-L375 VanDerWaalsContact CG2-CD2 3.49Å |
| 319 | I | 92.8 | Very high | 84.1 | Confident | 75 Ų | 75 | 75.1 Ų | 75.1 | 39% | 0.385 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | -24.5 | 178 | 59.5 | 165.1 | 0 | 0 | 0 | 112.7 | R317 L374 R376 | R317-I319 PolarHBondContact O-N 3.18Å; I319-L374 HydrophobicContact CD1-CD2 3.72Å; I319-L374 HydrophobicContact CD1-CG 3.89Å; I319-L374 HydrophobicContact CG1-CB 4.16Å; I319-L374 HydrophobicContact CG1-CD2 4.01Å; I319-L374 HydrophobicContact CG1-CG 3.85Å; I319-L374 VanDerWaalsContact CG1-O 3.29Å; I319-L374 WeakPolarHBondContact CG1-O 3.44Å; I319-L374 PolarHBondContact N-O 2.83Å; I319-R376 HydrophobicContact CD1-CB 4.3Å; I319-R376 HydrophobicContact CG2-CB 3.88Å |
| 320 | K | 93.4 | Very high | 86 | Confident | 129 Ų | 129 | 71.7 Ų | 71.7 | 56% | 0.561 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 150.6 | -179.4 | -164.2 | 169.9 | 177.9 | -179.4 | 0 | 111.9 | L322 L374 | K320-L322 HydrophobicContact CD-CD2 4.08Å; K320-L322 HydrophobicContact CG-CD2 4.18Å; K320-L374 HydrophobicContact CB-CB 4.08Å; K320-L374 HydrophobicContact CB-CD2 4.31Å; K320-L374 PolarHBondContact N-O 3.47Å; K320-L374 PolarHBondContact O-N 3.19Å |
| 321 | V | 95.4 | Very high | 87.7 | Confident | 79 Ų | 79 | 70.2 Ų | 70.2 | 48% | 0.479 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 134.2 | 167 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | L371 L373 | V321-L371 HydrophobicContact CG1-CB 4.04Å; V321-L371 HydrophobicContact CG1-CD1 3.74Å; V321-L371 HydrophobicContact CG1-CD2 3.94Å; V321-L371 HydrophobicContact CG1-CG 4.1Å; V321-L373 HydrophobicContact CB-CD2 4.44Å; V321-L373 HydrophobicContact CG2-CD2 3.84Å |
| 322 | L | 95.3 | Very high | 89.1 | Confident | 37 Ų | 37 | 68.4 Ų | 68.4 | 19% | 0.194 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 147.3 | -179.2 | -54.8 | 177.3 | 0 | 0 | 0 | 109.1 | K320 V327 L371 F372 L374 V394 | K320-L322 HydrophobicContact CD-CD2 4.08Å; K320-L322 HydrophobicContact CG-CD2 4.18Å; L322-V327 HydrophobicContact CB-CG2 4.14Å; L322-V327 HydrophobicContact CD1-CG2 3.78Å; L322-L371 CarbonylContact O-C 3.5Å; L322-L371 VanDerWaalsContact O-CA 3.3Å; L322-L371 WeakPolarHBondContact O-CA 3.29Å; L322-F372 HydrophobicContact CB-CB 4.32Å; L322-F372 PolarHBondContact N-O 2.95Å; L322-F372 PolarHBondContact O-N 3.39Å; L322-L374 HydrophobicContact CD1-CB 3.98Å; L322-L374 HydrophobicContact CG-CB 4.22Å; L322-V394 HydrophobicContact CD1-CG2 4.19Å |
| 323 | H | 95.5 | Very high | 89.9 | Confident | 94 Ų | 94 | 67.7 Ų | 67.7 | 44% | 0.435 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 143.9 | 168.1 | -155.9 | -104 | 0 | 0 | 0 | 109.4 | D325 G326 | H323-D325 VanDerWaalsContact C-N 3.32Å; H323-D325 IonicContact CE1-OD1 3.44Å; H323-D325 IonicContact CE1-OD2 3.73Å; H323-D325 IonicContact CG-OD1 3.47Å; H323-D325 IonicContact ND1-OD1 2.66Å; H323-D325 PolarHBondContact ND1-OD1 3.37Å; H323-D325 IonicContact ND1-OD2 2.65Å; H323-D325 PolarHBondContact ND1-OD2 3.48Å; H323-D325 PolarHBondContact O-N 3.03Å; H323-G326 PolarHBondContact O-N 2.89Å; H323-G326 VanDerWaalsContact O-N 3.08Å |
| 324 | A | 90.5 | Very high | 90.1 | Very high | 27 Ų | 27 | 67.8 Ų | 67.8 | 22% | 0.223 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -62.6 | -37.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G326 D370 F372 | A324-G326 PolarHBondContact O-N 3.02Å; A324-D370 HydrophobicContact CB-CB 4.25Å; A324-D370 VanDerWaalsContact CB-O 3.23Å; A324-D370 WeakPolarHBondContact CB-O 3.33Å; A324-D370 PolarHBondContact N-O 2.88Å; A324-F372 HydrophobicContact CB-CD1 4.24Å; A324-F372 HydrophobicContact CB-CD2 4.41Å; A324-F372 HydrophobicContact CB-CE1 3.69Å; A324-F372 HydrophobicContact CB-CE2 3.9Å; A324-F372 HydrophobicContact CB-CZ 3.5Å |
| 325 | D | 92.1 | Very high | 90.1 | Very high | 133 Ų | 133 | 67.9 Ų | 67.9 | 71% | 0.711 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -71.1 | -16.3 | 176.8 | 65.4 | -1.2 | 0 | 0 | 0 | 113.9 | H323 | H323-D325 VanDerWaalsContact C-N 3.32Å; H323-D325 IonicContact CE1-OD1 3.44Å; H323-D325 IonicContact CE1-OD2 3.73Å; H323-D325 IonicContact CG-OD1 3.47Å; H323-D325 IonicContact ND1-OD1 2.66Å; H323-D325 PolarHBondContact ND1-OD1 3.37Å; H323-D325 IonicContact ND1-OD2 2.65Å; H323-D325 PolarHBondContact ND1-OD2 3.48Å; H323-D325 PolarHBondContact O-N 3.03Å |
| 326 | G | 88.6 | Confident | 90.1 | Very high | 64 Ų | 64 | 64.2 Ų | 64.2 | 66% | 0.66 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -86 | -5.4 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | H323 A324 | H323-G326 PolarHBondContact O-N 2.89Å; H323-G326 VanDerWaalsContact O-N 3.08Å; A324-G326 PolarHBondContact O-N 3.02Å |
| 327 | V | 90.4 | Very high | 90 | Very high | 27 Ų | 27 | 64.3 Ų | 64.3 | 16% | 0.164 | 36% | 0.361 | C | S | . | . | trans | -106.3 | 111.3 | -177.3 | -176.4 | 0 | 0 | 0 | 0 | 110.4 | L322 L332 F372 | L322-V327 HydrophobicContact CB-CG2 4.14Å; L322-V327 HydrophobicContact CD1-CG2 3.78Å; V327-L332 HydrophobicContact CG1-CD1 4.18Å; V327-L332 HydrophobicContact CG1-CD2 4.34Å; V327-L332 HydrophobicContact CG1-CG 4.44Å; V327-F372 HydrophobicContact CB-CD2 4.18Å; V327-F372 HydrophobicContact CB-CE2 4.34Å; V327-F372 HydrophobicContact CG2-CD2 3.89Å | ||
| 328 | C | 88.5 | Confident | 90 | Very high | 74 Ų | 74 | 58.6 Ų | 58.6 | 50% | 0.5 | 34% | 0.341 | S | S | . | . | trans | -76.7 | 132.3 | 174.6 | -171 | 0 | 0 | 0 | 0 | 111 | S330 V331 | C328-S330 PolarHBondContact O-N 3.06Å; C328-S330 VanDerWaalsContact O-N 3.13Å; C328-S330 PolarHBondContact SG-OG 3.4Å; C328-V331 WeakPolarHBondContact O-CG2 3.28Å; C328-V331 PolarHBondContact O-N 3.02Å | ||
| 329 | E | 89 | Confident | 89.9 | Confident | 110 Ų | 110 | 58 Ų | 58 | 51% | 0.514 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -61.6 | -20.9 | 175.2 | -73.9 | -72.4 | 159.4 | 0 | 0 | 112.7 | V331 L332 K406 | E329-V331 PolarHBondContact O-N 3.41Å; E329-L332 PolarHBondContact O-N 3.18Å; E329-K406 VanDerWaalsContact CD-NZ 3.26Å; E329-K406 IonicContact OE1-NZ 3.88Å; E329-K406 PolarHBondContact OE1-NZ 2.85Å; E329-K406 IonicContact OE2-NZ 3.88Å; E329-K406 PolarHBondContact OE2-NZ 2.66Å |
| 330 | S | 86.9 | Confident | 89.8 | Confident | 99 Ų | 99 | 60.3 Ų | 60.3 | 69% | 0.692 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -66.2 | -17 | 178.2 | 75 | 0 | 0 | 0 | 0 | 114.3 | C328 | C328-S330 PolarHBondContact O-N 3.06Å; C328-S330 VanDerWaalsContact O-N 3.13Å; C328-S330 PolarHBondContact SG-OG 3.4Å |
| 331 | V | 88 | Confident | 89.7 | Confident | 43 Ų | 43 | 55.3 Ų | 55.3 | 26% | 0.261 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -96.8 | -0.3 | 174.4 | -58.4 | 0 | 0 | 0 | 0 | 112.2 | C328 E329 V408 A409 L414 | C328-V331 WeakPolarHBondContact O-CG2 3.28Å; C328-V331 PolarHBondContact O-N 3.02Å; E329-V331 PolarHBondContact O-N 3.41Å; V331-V408 CarbonylContact O-C 3.58Å; V331-V408 WeakPolarHBondContact O-CA 3.06Å; V331-A409 WeakPolarHBondContact O-CB 3.21Å; V331-A409 PolarHBondContact O-N 2.89Å; V331-L414 HydrophobicContact CG1-CD2 4.45Å |
| 332 | L | 90.3 | Very high | 89.5 | Confident | 19 Ų | 19 | 51.8 Ų | 51.8 | 10% | 0.099 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -101.8 | 144.7 | 175.8 | -52.8 | -178.2 | 0 | 0 | 0 | 108.9 | V327 E329 V394 K406 P407 V408 | V327-L332 HydrophobicContact CG1-CD1 4.18Å; V327-L332 HydrophobicContact CG1-CD2 4.34Å; V327-L332 HydrophobicContact CG1-CG 4.44Å; E329-L332 PolarHBondContact O-N 3.18Å; L332-V394 HydrophobicContact CD2-CB 4.29Å; L332-V394 HydrophobicContact CD2-CG2 4.23Å; L332-K406 HydrophobicContact CB-CD 4.46Å; L332-K406 HydrophobicContact CD1-CB 4.44Å; L332-K406 HydrophobicContact CD1-CD 3.63Å; L332-P407 WeakPolarHBondContact CA-O 3.3Å; L332-V408 HydrophobicContact CD2-CG2 3.85Å |
| 333 | Y | 85.4 | Confident | 88.9 | Confident | 92 Ų | 92 | 54.3 Ų | 54.3 | 36% | 0.361 | 32% | 0.318 | S | S | . | . | trans | -149.8 | 170.1 | -178.6 | 72.1 | -84.2 | 0 | 0 | 0 | 111.5 | T293 P407 A409 L413 | T293-Y333 HydrophobicContact CG2-CD2 4.33Å; T293-Y333 HydrophobicContact CG2-CE2 3.45Å; T293-Y333 VanDerWaalsContact CG2-CE2 3.45Å; Y333-P407 HydrophobicContact CD1-CB 3.96Å; Y333-P407 HydrophobicContact CD2-CB 4.31Å; Y333-P407 HydrophobicContact CE1-CB 3.61Å; Y333-P407 HydrophobicContact CE2-CB 4Å; Y333-P407 HydrophobicContact CG-CB 4.29Å; Y333-P407 PolarHBondContact N-O 3.47Å; Y333-P407 WeakPolarHBondContact O-CB 3.24Å; Y333-P407 WeakPolarHBondContact O-CD 3.27Å; Y333-P407 WeakPolarHBondContact O-CG 3.23Å; Y333-A409 HydrophobicContact CD1-CB 4.26Å; Y333-A409 HydrophobicContact CE1-CB 4.47Å; Y333-L413 HydrophobicContact CE1-CD1 4.06Å | ||
| 334 | G | 82.8 | Confident | 88.3 | Confident | 37 Ų | 37 | 49.9 Ų | 49.9 | 38% | 0.381 | 30% | 0.297 | S | S | . | . | S | Bend | trans | 73.2 | -168.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 335 | L | 83.6 | Confident | 87.6 | Confident | 26 Ų | 26 | 56.9 Ų | 56.9 | 14% | 0.136 | 32% | 0.318 | C | S | . | . | trans | -95 | 133.4 | -175.1 | -60.3 | 177 | 0 | 0 | 0 | 110.5 | L277 S279 T293 E294 | L277-L335 HydrophobicContact CD1-CB 4.03Å; L277-L335 HydrophobicContact CD1-CD1 3.53Å; L277-L335 HydrophobicContact CD1-CD2 3.43Å; L277-L335 VanDerWaalsContact CD1-CD2 3.43Å; L277-L335 HydrophobicContact CD1-CG 3.81Å; S279-L335 VanDerWaalsContact CA-CD1 3.43Å; T293-L335 PolarHBondContact O-N 3.08Å; E294-L335 HydrophobicContact CB-CD1 3.64Å; E294-L335 HydrophobicContact CB-CG 4.15Å; E294-L335 HydrophobicContact CG-CD1 4.03Å; E294-L335 HydrophobicContact CG-CG 4.12Å; E294-L335 WeakPolarHBondContact O-CD1 3.3Å | ||
| 336 | P | 87.5 | Confident | 87.2 | Confident | 31 Ų | 31 | 56.3 Ų | 56.3 | 20% | 0.201 | 31% | 0.311 | C | S | . | . | trans | -71.6 | 138 | 179.4 | 30.7 | -35.6 | 0 | 0 | 0 | 110.8 | L277 L404 K406 | L277-P336 HydrophobicContact CD2-CG 4.42Å; P336-L404 HydrophobicContact CB-CD1 3.73Å; P336-L404 HydrophobicContact CB-CD2 3.97Å; P336-L404 HydrophobicContact CB-CG 3.81Å; P336-K406 HydrophobicContact CB-CG 4.06Å | ||
| 337 | L | 88.3 | Confident | 86.9 | Confident | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 137.9 | 176.5 | -62.7 | -178.6 | 0 | 0 | 0 | 110.6 | M273 E275 V296 F299 L404 L405 | M273-L337 HydrophobicContact CE-CB 4.28Å; M273-L337 HydrophobicContact CE-CD1 3.4Å; M273-L337 HydrophobicContact CE-CG 4.48Å; E275-L337 HydrophobicContact CG-CD2 4.11Å; V296-L337 HydrophobicContact CG2-CD1 4.19Å; V296-L337 HydrophobicContact CG2-CD2 4.06Å; F299-L337 HydrophobicContact CD1-CD1 4.36Å; F299-L337 HydrophobicContact CD2-CD1 3.53Å; F299-L337 HydrophobicContact CE1-CD1 4.11Å; F299-L337 HydrophobicContact CE2-CD1 3.3Å; F299-L337 HydrophobicContact CE2-CG 4.3Å; F299-L337 HydrophobicContact CG-CD1 4.09Å; F299-L337 HydrophobicContact CZ-CD1 3.62Å; F299-L337 HydrophobicContact CZ-CG 4.4Å; L337-L404 WeakPolarHBondContact O-CA 3.45Å; L337-L405 HydrophobicContact CB-CB 4.46Å; L337-L405 PolarHBondContact N-O 2.95Å; L337-L405 PolarHBondContact O-N 2.85Å |
| 338 | V | 91 | Very high | 86.8 | Confident | 20 Ų | 20 | 57.3 Ų | 57.3 | 12% | 0.121 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 126.7 | 177.8 | 179.1 | 0 | 0 | 0 | 0 | 108.4 | M273 L274 R276 R340 L404 | M273-V338 CarbonylContact C-O 3.56Å; L274-V338 HydrophobicContact CB-CB 4.3Å; L274-V338 PolarHBondContact N-O 3.13Å; L274-V338 PolarHBondContact O-N 2.84Å; R276-V338 HydrophobicContact CB-CG2 4.04Å; V338-R340 HydrophobicContact CG1-CG 4.25Å; V338-L404 HydrophobicContact CG2-CD1 4.17Å |
| 339 | I | 92.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 132.7 | 177.1 | -48.6 | -58.3 | 0 | 0 | 0 | 108.4 | L253 C271 D272 M273 F359 L395 S402 L403 L405 | L253-I339 HydrophobicContact CD2-CD1 3.87Å; L253-I339 HydrophobicContact CD2-CG1 4.45Å; L253-I339 HydrophobicContact CD2-CG2 4.23Å; C271-I339 HydrophobicContact CB-CG2 3.45Å; C271-I339 VanDerWaalsContact CB-CG2 3.45Å; D272-I339 WeakPolarHBondContact O-CA 3.4Å; M273-I339 HydrophobicContact CB-CD1 4.29Å; M273-I339 HydrophobicContact CE-CD1 4.14Å; M273-I339 HydrophobicContact CG-CD1 3.66Å; I339-F359 HydrophobicContact CG2-CE2 4.05Å; I339-F359 WeakPolarHBondContact O-CZ 3.32Å; I339-L395 HydrophobicContact CG1-CD1 4.05Å; I339-S402 WeakPolarHBondContact O-CB 3.42Å; I339-L403 HydrophobicContact CB-CB 4.13Å; I339-L403 PolarHBondContact N-O 3.38Å; I339-L403 PolarHBondContact O-N 3.43Å; I339-L405 HydrophobicContact CD1-CB 3.9Å; I339-L405 HydrophobicContact CD1-CD2 4.15Å; I339-L405 HydrophobicContact CG1-CB 3.8Å |
| 340 | R | 91.9 | Very high | 86.9 | Confident | 124 Ų | 124 | 65 Ų | 65 | 47% | 0.468 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 159 | 177.7 | -71.7 | -170.7 | 177.2 | 157.4 | -4.7 | 110 | C271 D272 L274 V338 T342 | C271-R340 CarbonylContact C-O 3.59Å; C271-R340 WeakPolarHBondContact CA-O 3.38Å; C271-R340 VanDerWaalsContact CB-O 3.28Å; C271-R340 WeakPolarHBondContact CB-O 3.5Å; D272-R340 PolarHBondContact N-O 3.23Å; D272-R340 PolarHBondContact O-N 2.64Å; L274-R340 HydrophobicContact CD1-CG 4.36Å; L274-R340 VanDerWaalsContact CD1-NH1 3.25Å; V338-R340 HydrophobicContact CG1-CG 4.25Å; R340-T342 PolarHBondContact O-N 3.34Å |
| 341 | P | 91.6 | Very high | 87.2 | Confident | 24 Ų | 24 | 63.7 Ų | 63.7 | 16% | 0.156 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 140.8 | 168.3 | 27.7 | -33.3 | 0 | 0 | 0 | 108.6 | N356 F359 | P341-N356 WeakPolarHBondContact CG-OD1 3.43Å; P341-F359 HydrophobicContact CB-CB 4.08Å; P341-F359 HydrophobicContact CB-CD1 4.3Å; P341-F359 HydrophobicContact CB-CD2 4.45Å; P341-F359 HydrophobicContact CB-CG 4.02Å; P341-F359 HydrophobicContact CG-CD1 4.15Å; P341-F359 HydrophobicContact CG-CG 4.38Å |
| 342 | T | 89.3 | Confident | 87.2 | Confident | 4 Ų | 4 | 63.7 Ų | 63.7 | 3% | 0.025 | 31% | 0.305 | C | S | . | . | trans | -66.3 | 143.9 | -177.9 | -172.3 | 0 | 0 | 0 | 0 | 111.3 | E251 K270 D272 R340 C344 L347 | E251-T342 HydrophobicContact CG-CG2 4.25Å; K270-T342 HydrophobicContact CB-CG2 3.63Å; K270-T342 PolarHBondContact O-N 2.57Å; K270-T342 VanDerWaalsContact O-N 3.11Å; D272-T342 VanDerWaalsContact OD1-CB 3.31Å; D272-T342 WeakPolarHBondContact OD1-CB 3.46Å; D272-T342 PolarHBondContact OD1-OG1 3.38Å; D272-T342 WeakPolarHBondContact OD2-CA 3.43Å; D272-T342 PolarHBondContact OD2-OG1 3.04Å; R340-T342 PolarHBondContact O-N 3.34Å; T342-C344 HydrophobicContact CG2-CB 4.42Å; T342-C344 WeakPolarHBondContact OG1-CB 3.41Å; T342-C344 PolarHBondContact OG1-N 3.26Å; T342-L347 HydrophobicContact CG2-CD1 3.46Å; T342-L347 VanDerWaalsContact CG2-CD1 3.46Å | ||
| 343 | T | 83.6 | Confident | 87.3 | Confident | 91 Ų | 91 | 68.4 Ų | 68.4 | 56% | 0.558 | 33% | 0.326 | S | S | * | . | trans | -107.3 | 26.2 | 169.9 | 65.6 | 0 | 0 | 0 | 0 | 111.3 | D272 W345 | D272-T343 PolarHBondContact OD2-N 2.97Å; T343-W345 PolarHBondContact O-N 3.39Å | ||
| 344 | C | 82.9 | Confident | 87.7 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 33% | 0.334 | C | S | . | . | trans | -60 | 119.3 | -179.4 | -175.2 | 0 | 0 | 0 | 0 | 110.8 | G248 E251 T342 Q346 L347 M352 | G248-C344 WeakPolarHBondContact O-CA 3.06Å; E251-C344 HydrophobicContact CG-CB 3.86Å; T342-C344 HydrophobicContact CG2-CB 4.42Å; T342-C344 WeakPolarHBondContact OG1-CB 3.41Å; T342-C344 PolarHBondContact OG1-N 3.26Å; C344-Q346 PolarHBondContact O-N 2.73Å; C344-Q346 VanDerWaalsContact O-N 3.14Å; C344-L347 HydrophobicContact CB-CD1 4.29Å; C344-L347 HydrophobicContact CB-CG 4.37Å; C344-L347 PolarHBondContact O-N 2.62Å; C344-M352 VanDerWaalsContact O-CE 3.23Å; C344-M352 WeakPolarHBondContact O-CE 3.24Å | ||
| 345 | W | 76.7 | Confident | 88.2 | Confident | 175 Ų | 175 | 66.7 Ų | 66.7 | 66% | 0.663 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -14.7 | -179.3 | 65 | -98.4 | 0 | 0 | 0 | 113.9 | G248 T343 L347 | G248-W345 PolarHBondContact O-N 3.11Å; T343-W345 PolarHBondContact O-N 3.39Å; W345-L347 PolarHBondContact O-N 2.95Å |
| 346 | Q | 82.1 | Confident | 88.7 | Confident | 121 Ų | 121 | 67.7 Ų | 67.7 | 57% | 0.565 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -13.5 | -179.4 | -60.3 | 179.9 | -0.1 | 0 | 0 | 112.8 | C344 | C344-Q346 PolarHBondContact O-N 2.73Å; C344-Q346 VanDerWaalsContact O-N 3.14Å |
| 347 | L | 83.6 | Confident | 89 | Confident | 17 Ų | 17 | 69.2 Ų | 69.2 | 9% | 0.089 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -80.4 | 142.5 | 174.8 | -59.3 | 172.9 | 0 | 0 | 0 | 110.1 | E251 K270 T342 C344 W345 E351 M352 | E251-L347 VanDerWaalsContact OE1-CD2 3.27Å; E251-L347 WeakPolarHBondContact OE1-CD2 3.38Å; K270-L347 HydrophobicContact CD-CD1 4.22Å; K270-L347 HydrophobicContact CD-CD2 4.06Å; T342-L347 HydrophobicContact CG2-CD1 3.46Å; T342-L347 VanDerWaalsContact CG2-CD1 3.46Å; C344-L347 HydrophobicContact CB-CD1 4.29Å; C344-L347 HydrophobicContact CB-CG 4.37Å; C344-L347 PolarHBondContact O-N 2.62Å; W345-L347 PolarHBondContact O-N 2.95Å; L347-E351 VanDerWaalsContact CD2-CD 3.4Å; L347-E351 HydrophobicContact CD2-CG 4.18Å; L347-E351 WeakPolarHBondContact CD2-OE2 3.15Å; L347-M352 HydrophobicContact CB-CE 4.3Å |
| 348 | D | 88.6 | Confident | 89.3 | Confident | 94 Ų | 94 | 72.5 Ų | 72.5 | 50% | 0.503 | 35% | 0.352 | S | S | . | . | trans | -69.8 | 161.4 | 167.2 | 67.8 | 49.3 | 0 | 0 | 0 | 110.8 | D350 E351 M352 | D348-D350 VanDerWaalsContact C-N 3.3Å; D348-D350 PolarHBondContact O-N 2.99Å; D348-D350 PolarHBondContact OD1-N 3.09Å; D348-E351 PolarHBondContact O-N 3.35Å; D348-E351 WeakPolarHBondContact OD1-CB 3.38Å; D348-E351 PolarHBondContact OD1-N 3.22Å; D348-M352 WeakPolarHBondContact O-CB 3.3Å; D348-M352 PolarHBondContact O-N 2.78Å | ||
| 349 | W | 88 | Confident | 89.5 | Confident | 214 Ų | 214 | 71.5 Ų | 71.5 | 81% | 0.811 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -62 | -36.8 | -175.1 | -72.6 | 110.5 | 0 | 0 | 0 | 112.9 | M352 E353 | W349-M352 HydrophobicContact CZ3-SD 4.37Å; W349-M352 PolarHBondContact O-N 3.13Å; W349-E353 WeakPolarHBondContact O-CB 3.28Å; W349-E353 PolarHBondContact O-N 2.82Å |
| 350 | D | 91.8 | Very high | 89.7 | Confident | 131 Ų | 131 | 75 Ų | 75 | 70% | 0.701 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -71 | -41 | -178.2 | -68.1 | -27.2 | 0 | 0 | 0 | 111 | D348 T354 | D348-D350 VanDerWaalsContact C-N 3.3Å; D348-D350 PolarHBondContact O-N 2.99Å; D348-D350 PolarHBondContact OD1-N 3.09Å; D350-T354 VanDerWaalsContact O-CB 3.29Å; D350-T354 WeakPolarHBondContact O-CB 3.31Å; D350-T354 PolarHBondContact O-N 2.82Å; D350-T354 PolarHBondContact O-OG1 2.85Å |
| 351 | E | 91.3 | Very high | 89.8 | Confident | 73 Ų | 73 | 71.5 Ų | 71.5 | 34% | 0.341 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64 | -43.3 | 173.6 | -173.8 | 176.7 | -173.1 | 0 | 0 | 110.8 | K270 L347 D348 T354 N355 | K270-E351 VanDerWaalsContact CE-OE1 3.24Å; K270-E351 WeakPolarHBondContact CE-OE1 3.43Å; K270-E351 IonicContact NZ-OE1 2.89Å; K270-E351 PolarHBondContact NZ-OE1 3.3Å; K270-E351 IonicContact NZ-OE2 2.61Å; L347-E351 VanDerWaalsContact CD2-CD 3.4Å; L347-E351 HydrophobicContact CD2-CG 4.18Å; L347-E351 WeakPolarHBondContact CD2-OE2 3.15Å; D348-E351 PolarHBondContact O-N 3.35Å; D348-E351 WeakPolarHBondContact OD1-CB 3.38Å; D348-E351 PolarHBondContact OD1-N 3.22Å; E351-T354 PolarHBondContact O-N 3.05Å; E351-N355 WeakPolarHBondContact O-CB 3.36Å; E351-N355 PolarHBondContact O-N 2.7Å |
| 352 | M | 89.2 | Confident | 90 | Very high | 43 Ų | 43 | 71.3 Ų | 71.3 | 21% | 0.212 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.2 | -46 | 177.6 | -171.6 | 174.3 | -65.2 | 0 | 0 | 111.8 | C344 L347 D348 W349 N355 N356 | C344-M352 VanDerWaalsContact O-CE 3.23Å; C344-M352 WeakPolarHBondContact O-CE 3.24Å; L347-M352 HydrophobicContact CB-CE 4.3Å; D348-M352 WeakPolarHBondContact O-CB 3.3Å; D348-M352 PolarHBondContact O-N 2.78Å; W349-M352 HydrophobicContact CZ3-SD 4.37Å; W349-M352 PolarHBondContact O-N 3.13Å; M352-N355 PolarHBondContact O-N 3Å; M352-N356 VanDerWaalsContact O-CB 3.3Å; M352-N356 WeakPolarHBondContact O-CB 3.36Å; M352-N356 PolarHBondContact O-N 3.46Å |
| 353 | E | 92.1 | Very high | 90.2 | Very high | 117 Ų | 117 | 71.3 Ų | 71.3 | 55% | 0.547 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.2 | -42.3 | 178.9 | -173.9 | 58.7 | -149.2 | 0 | 0 | 111.8 | W349 N356 S357 | W349-E353 WeakPolarHBondContact O-CB 3.28Å; W349-E353 PolarHBondContact O-N 2.82Å; E353-N356 PolarHBondContact O-N 3.11Å; E353-S357 WeakPolarHBondContact O-CB 3.17Å; E353-S357 PolarHBondContact O-N 2.73Å; E353-S357 PolarHBondContact O-OG 3.31Å; E353-S357 VanDerWaalsContact O-OG 3.08Å |
| 354 | T | 93.5 | Very high | 90.8 | Very high | 85 Ų | 85 | 70.7 Ų | 70.7 | 52% | 0.521 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.8 | -46.7 | 176 | -59.1 | 0 | 0 | 0 | 0 | 110.8 | D350 E351 N356 S357 L358 | D350-T354 VanDerWaalsContact O-CB 3.29Å; D350-T354 WeakPolarHBondContact O-CB 3.31Å; D350-T354 PolarHBondContact O-N 2.82Å; D350-T354 PolarHBondContact O-OG1 2.85Å; E351-T354 PolarHBondContact O-N 3.05Å; T354-N356 VanDerWaalsContact C-N 3.35Å; T354-N356 PolarHBondContact O-N 2.78Å; T354-S357 PolarHBondContact O-N 3.03Å; T354-L358 HydrophobicContact CG2-CD1 4.14Å; T354-L358 WeakPolarHBondContact O-CB 3.33Å; T354-L358 VanDerWaalsContact O-CG 3.29Å; T354-L358 WeakPolarHBondContact O-CG 3.4Å; T354-L358 PolarHBondContact O-N 2.91Å |
| 355 | N | 94.3 | Very high | 91.3 | Very high | 8 Ų | 8 | 74 Ų | 74 | 4% | 0.043 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 177.7 | -178.5 | 66.8 | 0 | 0 | 0 | 111.9 | K270 E351 M352 L358 F359 | K270-N355 PolarHBondContact N-OD1 3.44Å; K270-N355 PolarHBondContact O-ND2 2.92Å; E351-N355 WeakPolarHBondContact O-CB 3.36Å; E351-N355 PolarHBondContact O-N 2.7Å; M352-N355 PolarHBondContact O-N 3Å; N355-L358 PolarHBondContact O-N 3.32Å; N355-F359 WeakPolarHBondContact O-CB 3.3Å; N355-F359 PolarHBondContact O-N 3.45Å |
| 356 | N | 93.1 | Very high | 92.2 | Very high | 48 Ų | 48 | 66 Ų | 66 | 26% | 0.257 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.4 | -49.8 | 176 | -170.9 | 52.6 | 0 | 0 | 0 | 110.8 | P341 M352 E353 T354 L358 F359 H360 | P341-N356 WeakPolarHBondContact CG-OD1 3.43Å; M352-N356 VanDerWaalsContact O-CB 3.3Å; M352-N356 WeakPolarHBondContact O-CB 3.36Å; M352-N356 PolarHBondContact O-N 3.46Å; E353-N356 PolarHBondContact O-N 3.11Å; T354-N356 VanDerWaalsContact C-N 3.35Å; T354-N356 PolarHBondContact O-N 2.78Å; N356-L358 VanDerWaalsContact C-N 3.33Å; N356-L358 PolarHBondContact O-N 3.22Å; N356-F359 PolarHBondContact O-N 3.01Å; N356-H360 WeakPolarHBondContact O-CB 3.31Å; N356-H360 PolarHBondContact O-CD2 3.42Å; N356-H360 PolarHBondContact O-N 3.02Å; N356-H360 PolarHBondContact OD1-CD2 3.28Å; N356-H360 VanDerWaalsContact OD1-CD2 3.31Å; N356-H360 PolarHBondContact OD1-NE2 3.02Å |
| 357 | S | 94.2 | Very high | 92.8 | Very high | 63 Ų | 63 | 65.8 Ų | 65.8 | 44% | 0.441 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -56.6 | -44.1 | 176.4 | -69.6 | 0 | 0 | 0 | 0 | 112.5 | E353 T354 H360 A361 | E353-S357 WeakPolarHBondContact O-CB 3.17Å; E353-S357 PolarHBondContact O-N 2.73Å; E353-S357 PolarHBondContact O-OG 3.31Å; E353-S357 VanDerWaalsContact O-OG 3.08Å; T354-S357 PolarHBondContact O-N 3.03Å; S357-H360 PolarHBondContact O-N 3.26Å; S357-A361 WeakPolarHBondContact O-CB 3.47Å; S357-A361 PolarHBondContact O-N 2.98Å |
| 358 | L | 94.4 | Very high | 93.3 | Very high | 70 Ų | 70 | 70.7 Ų | 70.7 | 37% | 0.366 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63 | -45.3 | 175.8 | -73.8 | 171.7 | 0 | 0 | 0 | 112.2 | V267 V269 T354 N355 N356 H360 A361 L362 | V267-L358 HydrophobicContact CG1-CD1 4.25Å; V267-L358 HydrophobicContact CG1-CD2 4.43Å; V269-L358 HydrophobicContact CG2-CB 4.38Å; T354-L358 HydrophobicContact CG2-CD1 4.14Å; T354-L358 WeakPolarHBondContact O-CB 3.33Å; T354-L358 VanDerWaalsContact O-CG 3.29Å; T354-L358 WeakPolarHBondContact O-CG 3.4Å; T354-L358 PolarHBondContact O-N 2.91Å; N355-L358 PolarHBondContact O-N 3.32Å; N356-L358 VanDerWaalsContact C-N 3.33Å; N356-L358 PolarHBondContact O-N 3.22Å; L358-H360 PolarHBondContact O-N 3.31Å; L358-A361 PolarHBondContact O-N 3.41Å; L358-L362 WeakPolarHBondContact O-CB 3.39Å; L358-L362 PolarHBondContact O-N 3.36Å |
| 359 | F | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 178 | -173.6 | -83.7 | 0 | 0 | 0 | 111.7 | V269 I339 P341 N355 N356 L362 C363 L403 | V269-F359 HydrophobicContact CG1-CB 3.84Å; V269-F359 HydrophobicContact CG1-CD2 3.71Å; V269-F359 HydrophobicContact CG1-CG 4.28Å; I339-F359 HydrophobicContact CG2-CE2 4.05Å; I339-F359 WeakPolarHBondContact O-CZ 3.32Å; P341-F359 HydrophobicContact CB-CB 4.08Å; P341-F359 HydrophobicContact CB-CD1 4.3Å; P341-F359 HydrophobicContact CB-CD2 4.45Å; P341-F359 HydrophobicContact CB-CG 4.02Å; P341-F359 HydrophobicContact CG-CD1 4.15Å; P341-F359 HydrophobicContact CG-CG 4.38Å; N355-F359 WeakPolarHBondContact O-CB 3.3Å; N355-F359 PolarHBondContact O-N 3.45Å; N356-F359 PolarHBondContact O-N 3.01Å; F359-L362 WeakPolarHBondContact O-CB 3.35Å; F359-L362 PolarHBondContact O-N 2.92Å; F359-C363 WeakPolarHBondContact CE1-SG 3.49Å; F359-C363 PolarHBondContact O-N 3.5Å; F359-C363 PolarHBondContact O-SG 3.36Å; F359-L403 HydrophobicContact CE1-CG 4.5Å; F359-L403 HydrophobicContact CE2-CD1 3.76Å; F359-L403 HydrophobicContact CE2-CG 4.2Å; F359-L403 HydrophobicContact CZ-CB 4.43Å; F359-L403 HydrophobicContact CZ-CD1 3.87Å; F359-L403 HydrophobicContact CZ-CG 3.78Å |
| 360 | H | 95.1 | Very high | 93.9 | Very high | 72 Ų | 72 | 66.3 Ų | 66.3 | 33% | 0.333 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.9 | -47.3 | 175.7 | -86.9 | -82.7 | 0 | 0 | 0 | 111.5 | N356 S357 L358 L362 C363 Q364 V401 | N356-H360 WeakPolarHBondContact O-CB 3.31Å; N356-H360 PolarHBondContact O-CD2 3.42Å; N356-H360 PolarHBondContact O-N 3.02Å; N356-H360 PolarHBondContact OD1-CD2 3.28Å; N356-H360 VanDerWaalsContact OD1-CD2 3.31Å; N356-H360 PolarHBondContact OD1-NE2 3.02Å; S357-H360 PolarHBondContact O-N 3.26Å; L358-H360 PolarHBondContact O-N 3.31Å; H360-L362 VanDerWaalsContact C-N 3.33Å; H360-L362 PolarHBondContact O-N 2.89Å; H360-C363 PolarHBondContact O-N 3.18Å; H360-Q364 WeakPolarHBondContact O-CG 3.41Å; H360-Q364 PolarHBondContact O-N 3.17Å; H360-V401 WeakPolarHBondContact CE1-CG1 3.37Å; H360-V401 WeakPolarHBondContact ND1-CG1 3.4Å |
| 361 | A | 94.8 | Very high | 94.2 | Very high | 52 Ų | 52 | 61.5 Ų | 61.5 | 43% | 0.43 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S357 L358 Q364 T365 | S357-A361 WeakPolarHBondContact O-CB 3.47Å; S357-A361 PolarHBondContact O-N 2.98Å; L358-A361 PolarHBondContact O-N 3.41Å; A361-Q364 PolarHBondContact O-N 3.45Å; A361-T365 WeakPolarHBondContact O-CB 2.9Å; A361-T365 PolarHBondContact O-N 3.31Å; A361-T365 PolarHBondContact O-OG1 3.48Å |
| 362 | L | 95.1 | Very high | 94.4 | Very high | 19 Ų | 19 | 59.4 Ų | 59.4 | 10% | 0.099 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.7 | -50.5 | 175 | 178.9 | 62.4 | 0 | 0 | 0 | 111.6 | L257 L358 F359 H360 Q364 T365 L366 L373 L403 | L257-L362 HydrophobicContact CD1-CD1 4.47Å; L257-L362 HydrophobicContact CD2-CD1 4.28Å; L257-L362 HydrophobicContact CD2-CD2 4.3Å; L358-L362 WeakPolarHBondContact O-CB 3.39Å; L358-L362 PolarHBondContact O-N 3.36Å; F359-L362 WeakPolarHBondContact O-CB 3.35Å; F359-L362 PolarHBondContact O-N 2.92Å; H360-L362 VanDerWaalsContact C-N 3.33Å; H360-L362 PolarHBondContact O-N 2.89Å; L362-Q364 VanDerWaalsContact C-N 3.34Å; L362-Q364 PolarHBondContact O-N 3.45Å; L362-T365 PolarHBondContact O-N 2.95Å; L362-L366 HydrophobicContact CD1-CD1 4.04Å; L362-L366 HydrophobicContact CD1-CG 4.2Å; L362-L366 HydrophobicContact CG-CD1 4.17Å; L362-L366 WeakPolarHBondContact O-CG 3.29Å; L362-L366 PolarHBondContact O-N 3.3Å; L362-L373 HydrophobicContact CD1-CD1 4.02Å; L362-L403 HydrophobicContact CD2-CD1 3.96Å; L362-L403 HydrophobicContact CG-CD1 4.46Å |
| 363 | C | 95.3 | Very high | 94.8 | Very high | 5 Ų | 5 | 57.8 Ų | 57.8 | 3% | 0.034 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.5 | -46.6 | 178.7 | -69.2 | 0 | 0 | 0 | 0 | 112.1 | F359 H360 R367 V401 L403 | F359-C363 WeakPolarHBondContact CE1-SG 3.49Å; F359-C363 PolarHBondContact O-N 3.5Å; F359-C363 PolarHBondContact O-SG 3.36Å; H360-C363 PolarHBondContact O-N 3.18Å; C363-R367 VanDerWaalsContact O-CB 3.28Å; C363-R367 WeakPolarHBondContact O-CB 3.29Å; C363-R367 PolarHBondContact O-N 2.86Å; C363-V401 HydrophobicContact CB-CG1 4.19Å; C363-L403 HydrophobicContact CB-CD2 4.37Å; C363-L403 VanDerWaalsContact SG-CD2 3.5Å |
| 364 | Q | 94.7 | Very high | 94.9 | Very high | 78 Ų | 78 | 53.8 Ų | 53.8 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.1 | -42.1 | -179.6 | -69.6 | -65.7 | -15.7 | 0 | 0 | 111.7 | H360 A361 L362 R367 N368 | H360-Q364 WeakPolarHBondContact O-CG 3.41Å; H360-Q364 PolarHBondContact O-N 3.17Å; A361-Q364 PolarHBondContact O-N 3.45Å; L362-Q364 VanDerWaalsContact C-N 3.34Å; L362-Q364 PolarHBondContact O-N 3.45Å; Q364-R367 PolarHBondContact O-N 3.45Å; Q364-N368 VanDerWaalsContact O-CB 3.3Å; Q364-N368 WeakPolarHBondContact O-CB 3.5Å; Q364-N368 PolarHBondContact O-N 3.34Å; Q364-N368 PolarHBondContact O-ND2 3.39Å |
| 365 | T | 94.4 | Very high | 94.9 | Very high | 69 Ų | 69 | 49.7 Ų | 49.7 | 42% | 0.423 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.8 | -48.4 | 179.2 | -58.1 | 0 | 0 | 0 | 0 | 111.2 | A361 L362 R367 Q369 | A361-T365 WeakPolarHBondContact O-CB 2.9Å; A361-T365 PolarHBondContact O-N 3.31Å; A361-T365 PolarHBondContact O-OG1 3.48Å; L362-T365 PolarHBondContact O-N 2.95Å; T365-R367 VanDerWaalsContact C-N 3.35Å; T365-R367 PolarHBondContact O-N 3.36Å; T365-Q369 PolarHBondContact O-N 3.11Å |
| 366 | L | 95.6 | Very high | 94.7 | Very high | 6 Ų | 6 | 54.5 Ų | 54.5 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 178.3 | -68.9 | 177.2 | 0 | 0 | 0 | 111.8 | L362 D370 L371 L373 P397 L403 | L362-L366 HydrophobicContact CD1-CD1 4.04Å; L362-L366 HydrophobicContact CD1-CG 4.2Å; L362-L366 HydrophobicContact CG-CD1 4.17Å; L362-L366 WeakPolarHBondContact O-CG 3.29Å; L362-L366 PolarHBondContact O-N 3.3Å; L366-D370 PolarHBondContact O-N 2.72Å; L366-L371 WeakPolarHBondContact CB-O 3.49Å; L366-L371 HydrophobicContact CD2-CB 3.89Å; L366-L371 PolarHBondContact O-N 3.13Å; L366-L373 HydrophobicContact CD1-CD1 3.94Å; L366-L373 HydrophobicContact CD1-CG 3.98Å; L366-L373 HydrophobicContact CD2-CD1 4.19Å; L366-L373 HydrophobicContact CD2-CD2 3.75Å; L366-L373 HydrophobicContact CD2-CG 3.69Å; L366-L373 HydrophobicContact CG-CG 4.48Å; L366-P397 HydrophobicContact CB-CB 3.97Å; L366-P397 HydrophobicContact CB-CG 3.77Å; L366-L403 HydrophobicContact CD1-CD2 4.16Å |
| 367 | R | 94.2 | Very high | 94.4 | Very high | 117 Ų | 117 | 53.9 Ų | 53.9 | 44% | 0.442 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.7 | -45.9 | -179.2 | -176.7 | 179.8 | 173.8 | -175.7 | -2.6 | 112.6 | C363 Q364 T365 Q369 D370 P397 P399 | C363-R367 VanDerWaalsContact O-CB 3.28Å; C363-R367 WeakPolarHBondContact O-CB 3.29Å; C363-R367 PolarHBondContact O-N 2.86Å; Q364-R367 PolarHBondContact O-N 3.45Å; T365-R367 VanDerWaalsContact C-N 3.35Å; T365-R367 PolarHBondContact O-N 3.36Å; R367-Q369 PolarHBondContact O-N 3.21Å; R367-D370 PolarHBondContact O-N 3.12Å; R367-P397 HydrophobicContact CB-CB 4.15Å; R367-P397 HydrophobicContact CB-CG 4.27Å; R367-P399 PolarHBondContact NH1-O 3.37Å |
| 368 | N | 94.6 | Very high | 93.7 | Very high | 120 Ų | 120 | 53.7 Ų | 53.7 | 64% | 0.642 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -68.5 | -18.9 | -175.1 | -70 | -15.3 | 0 | 0 | 0 | 113 | Q364 | Q364-N368 VanDerWaalsContact O-CB 3.3Å; Q364-N368 WeakPolarHBondContact O-CB 3.5Å; Q364-N368 PolarHBondContact O-N 3.34Å; Q364-N368 PolarHBondContact O-ND2 3.39Å |
| 369 | Q | 94.9 | Very high | 92.5 | Very high | 115 Ų | 115 | 55.3 Ų | 55.3 | 54% | 0.537 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | 6.4 | -178.6 | -61.2 | -177 | 13.6 | 0 | 0 | 112.5 | T365 R367 L371 | T365-Q369 PolarHBondContact O-N 3.11Å; R367-Q369 PolarHBondContact O-N 3.21Å; Q369-L371 VanDerWaalsContact C-N 3.27Å; Q369-L371 HydrophobicContact CB-CD1 3.57Å; Q369-L371 HydrophobicContact CB-CG 3.62Å; Q369-L371 HydrophobicContact CG-CD1 4.44Å; Q369-L371 WeakPolarHBondContact O-CG 3.47Å; Q369-L371 PolarHBondContact O-N 3.35Å |
| 370 | D | 94.7 | Very high | 91.1 | Very high | 102 Ų | 102 | 59 Ų | 59 | 55% | 0.545 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | 48.7 | -174.4 | -68 | -44.8 | 0 | 0 | 0 | 112.6 | A324 L366 R367 | A324-D370 HydrophobicContact CB-CB 4.25Å; A324-D370 VanDerWaalsContact CB-O 3.23Å; A324-D370 WeakPolarHBondContact CB-O 3.33Å; A324-D370 PolarHBondContact N-O 2.88Å; L366-D370 PolarHBondContact O-N 2.72Å; R367-D370 PolarHBondContact O-N 3.12Å |
| 371 | L | 96.2 | Very high | 89.4 | Confident | 29 Ų | 29 | 61.7 Ų | 61.7 | 15% | 0.152 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 145.1 | -177.2 | -59.9 | 175.9 | 0 | 0 | 0 | 112.2 | V321 L322 L366 Q369 P397 | V321-L371 HydrophobicContact CG1-CB 4.04Å; V321-L371 HydrophobicContact CG1-CD1 3.74Å; V321-L371 HydrophobicContact CG1-CD2 3.94Å; V321-L371 HydrophobicContact CG1-CG 4.1Å; L322-L371 CarbonylContact O-C 3.5Å; L322-L371 VanDerWaalsContact O-CA 3.3Å; L322-L371 WeakPolarHBondContact O-CA 3.29Å; L366-L371 WeakPolarHBondContact CB-O 3.49Å; L366-L371 HydrophobicContact CD2-CB 3.89Å; L366-L371 PolarHBondContact O-N 3.13Å; Q369-L371 VanDerWaalsContact C-N 3.27Å; Q369-L371 HydrophobicContact CB-CD1 3.57Å; Q369-L371 HydrophobicContact CB-CG 3.62Å; Q369-L371 HydrophobicContact CG-CD1 4.44Å; Q369-L371 WeakPolarHBondContact O-CG 3.47Å; Q369-L371 PolarHBondContact O-N 3.35Å; L371-P397 WeakPolarHBondContact O-CD 3.44Å |
| 372 | F | 96.6 | Very high | 87.6 | Confident | 29 Ų | 29 | 66.6 Ų | 66.6 | 13% | 0.127 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 160.6 | 166.4 | -59.8 | -20.5 | 0 | 0 | 0 | 110.6 | L322 A324 V327 V394 L395 Q396 | L322-F372 HydrophobicContact CB-CB 4.32Å; L322-F372 PolarHBondContact N-O 2.95Å; L322-F372 PolarHBondContact O-N 3.39Å; A324-F372 HydrophobicContact CB-CD1 4.24Å; A324-F372 HydrophobicContact CB-CD2 4.41Å; A324-F372 HydrophobicContact CB-CE1 3.69Å; A324-F372 HydrophobicContact CB-CE2 3.9Å; A324-F372 HydrophobicContact CB-CZ 3.5Å; V327-F372 HydrophobicContact CB-CD2 4.18Å; V327-F372 HydrophobicContact CB-CE2 4.34Å; V327-F372 HydrophobicContact CG2-CD2 3.89Å; F372-V394 HydrophobicContact CB-CG1 4Å; F372-V394 HydrophobicContact CD2-CG1 4Å; F372-V394 HydrophobicContact CG-CG1 4.21Å; F372-L395 WeakPolarHBondContact CA-O 3.49Å; F372-Q396 HydrophobicContact CD1-CB 3.9Å; F372-Q396 HydrophobicContact CD1-CG 3.87Å; F372-Q396 HydrophobicContact CD2-CG 4.02Å; F372-Q396 HydrophobicContact CE1-CB 3.78Å; F372-Q396 HydrophobicContact CE1-CG 3.86Å; F372-Q396 HydrophobicContact CE2-CG 4Å; F372-Q396 VanDerWaalsContact CE2-NE2 3.34Å; F372-Q396 HydrophobicContact CG-CB 4.48Å; F372-Q396 HydrophobicContact CG-CG 3.97Å; F372-Q396 HydrophobicContact CZ-CB 4.24Å; F372-Q396 HydrophobicContact CZ-CG 3.92Å |
| 373 | L | 96.6 | Very high | 85.7 | Confident | 9 Ų | 9 | 69.5 Ų | 69.5 | 5% | 0.047 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 131.9 | 172.8 | -57.9 | 178.6 | 0 | 0 | 0 | 110.9 | L257 V318 V321 L362 L366 L375 V394 L395 | L257-L373 HydrophobicContact CD2-CD1 4.44Å; V318-L373 HydrophobicContact CG1-CB 4.38Å; V318-L373 HydrophobicContact CG1-CD2 4.08Å; V318-L373 HydrophobicContact CG2-CB 4.48Å; V318-L373 HydrophobicContact CG2-CD1 3.91Å; V321-L373 HydrophobicContact CB-CD2 4.44Å; V321-L373 HydrophobicContact CG2-CD2 3.84Å; L362-L373 HydrophobicContact CD1-CD1 4.02Å; L366-L373 HydrophobicContact CD1-CD1 3.94Å; L366-L373 HydrophobicContact CD1-CG 3.98Å; L366-L373 HydrophobicContact CD2-CD1 4.19Å; L366-L373 HydrophobicContact CD2-CD2 3.75Å; L366-L373 HydrophobicContact CD2-CG 3.69Å; L366-L373 HydrophobicContact CG-CG 4.48Å; L373-L375 HydrophobicContact CB-CD2 4.47Å; L373-V394 CarbonylContact O-C 3.56Å; L373-V394 WeakPolarHBondContact O-CA 3.29Å; L373-L395 HydrophobicContact CB-CB 4.18Å; L373-L395 HydrophobicContact CD1-CD2 4.37Å; L373-L395 PolarHBondContact N-O 2.84Å; L373-L395 PolarHBondContact O-N 3.43Å |
| 374 | L | 95.1 | Very high | 83.6 | Confident | 33 Ų | 33 | 74.1 Ų | 74.1 | 17% | 0.173 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 122.4 | 166.9 | -172.5 | 64.1 | 0 | 0 | 0 | 109 | I319 K320 L322 H392 V394 V408 | I319-L374 HydrophobicContact CD1-CD2 3.72Å; I319-L374 HydrophobicContact CD1-CG 3.89Å; I319-L374 HydrophobicContact CG1-CB 4.16Å; I319-L374 HydrophobicContact CG1-CD2 4.01Å; I319-L374 HydrophobicContact CG1-CG 3.85Å; I319-L374 VanDerWaalsContact CG1-O 3.29Å; I319-L374 WeakPolarHBondContact CG1-O 3.44Å; I319-L374 PolarHBondContact N-O 2.83Å; K320-L374 HydrophobicContact CB-CB 4.08Å; K320-L374 HydrophobicContact CB-CD2 4.31Å; K320-L374 PolarHBondContact N-O 3.47Å; K320-L374 PolarHBondContact O-N 3.19Å; L322-L374 HydrophobicContact CD1-CB 3.98Å; L322-L374 HydrophobicContact CG-CB 4.22Å; L374-H392 HydrophobicContact CD1-CB 4.38Å; L374-V394 HydrophobicContact CD1-CG2 4.18Å; L374-V408 HydrophobicContact CD1-CG2 4.31Å |
| 375 | L | 93.6 | Very high | 81.5 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 150.2 | -177.1 | -57.2 | 173.5 | 0 | 0 | 0 | 110.5 | L255 L316 R317 V318 L373 H392 Y393 L395 L405 | L255-L375 HydrophobicContact CD2-CD1 3.94Å; L255-L375 HydrophobicContact CD2-CD2 4.34Å; L316-L375 HydrophobicContact CB-CB 4.35Å; L316-L375 HydrophobicContact CB-CD1 4.29Å; L316-L375 HydrophobicContact CD1-CD1 3.88Å; R317-L375 CarbonylContact O-C 3.6Å; R317-L375 WeakPolarHBondContact O-CA 3.16Å; V318-L375 HydrophobicContact CB-CD2 4.25Å; V318-L375 HydrophobicContact CG2-CD2 3.49Å; V318-L375 VanDerWaalsContact CG2-CD2 3.49Å; L373-L375 HydrophobicContact CB-CD2 4.47Å; L375-H392 VanDerWaalsContact O-CA 3.29Å; L375-H392 WeakPolarHBondContact O-CA 3.47Å; L375-Y393 PolarHBondContact N-O 2.88Å; L375-Y393 PolarHBondContact O-N 3.48Å; L375-L395 HydrophobicContact CD1-CB 3.83Å; L375-L395 HydrophobicContact CD1-CD1 4.37Å; L375-L395 HydrophobicContact CD1-CD2 4.22Å; L375-L395 HydrophobicContact CD1-CG 4.38Å; L375-L395 HydrophobicContact CG-CB 4.31Å; L375-L405 HydrophobicContact CD1-CD1 3.54Å |
| 376 | R | 89.8 | Confident | 79.4 | Confident | 108 Ų | 108 | 77 Ų | 77 | 41% | 0.408 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 139.3 | 169.8 | 176.9 | -179.7 | -73.3 | -179.4 | -2.9 | 109.5 | L316 R317 I319 E378 H392 | L316-R376 WeakPolarHBondContact CA-O 3.42Å; R317-R376 PolarHBondContact N-O 2.89Å; R317-R376 PolarHBondContact O-N 2.88Å; I319-R376 HydrophobicContact CD1-CB 4.3Å; I319-R376 HydrophobicContact CG2-CB 3.88Å; R376-E378 PolarHBondContact O-N 2.81Å; R376-H392 PolarHBondContact NE-NE2 2.91Å; R376-H392 VanDerWaalsContact NE-NE2 3.13Å; R376-H392 PolarHBondContact NH2-NE2 3.34Å; R376-H392 VanDerWaalsContact NH2-NE2 3.12Å |
| 377 | V | 86.3 | Confident | 77.1 | Confident | 36 Ų | 36 | 81.9 Ų | 81.9 | 22% | 0.218 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 128.6 | 171.1 | -171.8 | 0 | 0 | 0 | 0 | 109.9 | Q314 L316 S391 Y393 | Q314-V377 HydrophobicContact CG-CG1 4.32Å; L316-V377 HydrophobicContact CD2-CB 4.2Å; L316-V377 HydrophobicContact CD2-CG2 3.61Å; V377-S391 PolarHBondContact N-O 3.39Å; V377-Y393 HydrophobicContact CG2-CD2 4.29Å; V377-Y393 HydrophobicContact CG2-CE2 3.55Å |
| 378 | E | 80.9 | Confident | 75.3 | Confident | 58 Ų | 58 | 79.2 Ų | 79.2 | 27% | 0.271 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 130.1 | 169.5 | -68.6 | -160 | 145.2 | 0 | 0 | 109.6 | L256 R315 R317 R376 D380 | L256-E378 HydrophobicContact CD1-CG 4.16Å; L256-E378 WeakPolarHBondContact CD1-OE1 3.23Å; L256-E378 WeakPolarHBondContact CD1-OE2 3.37Å; R315-E378 HydrophobicContact CB-CB 4.18Å; R315-E378 HydrophobicContact CB-CG 4.16Å; R315-E378 IonicContact CZ-OE2 3.21Å; R315-E378 IonicContact NE-OE2 3.35Å; R315-E378 PolarHBondContact NE-OE2 2.82Å; R315-E378 IonicContact NH1-OE2 3.18Å; R315-E378 PolarHBondContact NH1-OE2 2.79Å; R315-E378 IonicContact NH2-OE2 3.86Å; R315-E378 PolarHBondContact O-N 3.42Å; R317-E378 HydrophobicContact CB-CG 4.2Å; R376-E378 PolarHBondContact O-N 2.81Å; E378-D380 PolarHBondContact O-N 3.32Å |
| 379 | P | 69 | Low | 73.6 | Confident | 104 Ų | 104 | 78 Ų | 78 | 68% | 0.675 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 137 | 177 | 26.5 | -32.5 | 0 | 0 | 0 | 109.5 | ||
| 380 | D | 65.2 | Low | 72 | Confident | 77 Ų | 77 | 75.4 Ų | 75.4 | 41% | 0.412 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 126.2 | 169.7 | -176.9 | -18.2 | 0 | 0 | 0 | 108.1 | E378 L382 V383 | E378-D380 PolarHBondContact O-N 3.32Å; D380-L382 PolarHBondContact O-N 2.95Å; D380-L382 WeakPolarHBondContact OD1-CB 3.43Å; D380-L382 PolarHBondContact OD1-N 3.1Å; D380-V383 HydrophobicContact CB-CB 4.44Å; D380-V383 HydrophobicContact CB-CG2 3.91Å; D380-V383 PolarHBondContact O-N 2.77Å |
| 381 | P | 59.5 | Low | 71.3 | Confident | 130 Ų | 130 | 72.9 Ų | 72.9 | 84% | 0.844 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -17.9 | 179.2 | 23.5 | -34.8 | 0 | 0 | 0 | 113.5 | V383 | P381-V383 VanDerWaalsContact C-N 3.34Š|
| 382 | L | 57.6 | Low | 71 | Confident | 155 Ų | 155 | 73.1 Ų | 73.1 | 81% | 0.812 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -11.4 | 175.2 | -61.2 | 171.7 | 0 | 0 | 0 | 113.5 | D380 | D380-L382 PolarHBondContact O-N 2.95Å; D380-L382 WeakPolarHBondContact OD1-CB 3.43Å; D380-L382 PolarHBondContact OD1-N 3.1Å |
| 383 | V | 55.3 | Low | 70.8 | Confident | 80 Ų | 80 | 72.5 Ų | 72.5 | 49% | 0.485 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -98 | 129.4 | 179.6 | 178.5 | 0 | 0 | 0 | 0 | 109.6 | D380 P381 | D380-V383 HydrophobicContact CB-CB 4.44Å; D380-V383 HydrophobicContact CB-CG2 3.91Å; D380-V383 PolarHBondContact O-N 2.77Å; P381-V383 VanDerWaalsContact C-N 3.34Å |
| 384 | V | 50.9 | Low | 70.7 | Confident | 101 Ų | 101 | 72.2 Ų | 72.2 | 61% | 0.612 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 123.6 | -178.7 | -177.4 | 0 | 0 | 0 | 0 | 110.3 | G386 T387 | V384-G386 PolarHBondContact O-N 2.88Å; V384-T387 PolarHBondContact O-OG1 3.28Å |
| 385 | P | 50.1 | Low | 70.7 | Confident | 123 Ų | 123 | 70.7 Ų | 70.7 | 80% | 0.799 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 125.1 | 178.1 | -22.8 | 30.9 | 0 | 0 | 0 | 111.1 | ||
| 386 | G | 52.1 | Low | 70.8 | Confident | 84 Ų | 84 | 71.6 Ų | 71.6 | 87% | 0.866 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99 | 8.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | V384 | V384-G386 PolarHBondContact O-N 2.88Š|
| 387 | T | 46.3 | Very low | 71 | Confident | 109 Ų | 109 | 67.8 Ų | 67.8 | 67% | 0.669 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -106.6 | 5 | -178.3 | 50.9 | 0 | 0 | 0 | 0 | 115.4 | V384 | V384-T387 PolarHBondContact O-OG1 3.28Š|
| 388 | G | 55.7 | Low | 71.2 | Confident | 61 Ų | 61 | 67.7 Ų | 67.7 | 63% | 0.629 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -129.8 | 146.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | C390 | G388-C390 PolarHBondContact O-N 3.14Š|
| 389 | V | 58.8 | Low | 71.3 | Confident | 96 Ų | 96 | 69.8 Ų | 69.8 | 58% | 0.582 | 45% | 0.454 | S | S | * | . | trans | -58 | 122.1 | 164.2 | 156.8 | 0 | 0 | 0 | 0 | 108.8 | S391 E412 | V389-S391 PolarHBondContact O-N 2.91Å; V389-E412 HydrophobicContact CG1-CG 4.1Å; V389-E412 WeakPolarHBondContact CG1-OE1 3.4Å; V389-E412 HydrophobicContact CG2-CG 3.8Å | ||
| 390 | C | 61.7 | Low | 71.8 | Confident | 60 Ų | 60 | 68.7 Ų | 68.7 | 41% | 0.405 | 45% | 0.449 | S | S | . | . | trans | -74.3 | 113.3 | 175.6 | -71.4 | 0 | 0 | 0 | 0 | 109.9 | G388 H392 | G388-C390 PolarHBondContact O-N 3.14Å; C390-H392 PolarHBondContact O-CE1 3.35Å; C390-H392 PolarHBondContact O-N 3.21Å; C390-H392 PolarHBondContact O-ND1 3.33Å | ||
| 391 | S | 80.8 | Confident | 72.8 | Confident | 49 Ų | 49 | 67.3 Ų | 67.3 | 34% | 0.343 | 44% | 0.444 | S | S | . | . | trans | -71.6 | 126.4 | 171.3 | -54.3 | 0 | 0 | 0 | 0 | 110.5 | V377 V389 | V377-S391 PolarHBondContact N-O 3.39Å; V389-S391 PolarHBondContact O-N 2.91Å | ||
| 392 | H | 89 | Confident | 74.3 | Confident | 34 Ų | 34 | 61.4 Ų | 61.4 | 16% | 0.157 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 148.9 | 176 | -63.7 | 83.1 | 0 | 0 | 0 | 109.7 | L374 L375 R376 C390 V408 | L374-H392 HydrophobicContact CD1-CB 4.38Å; L375-H392 VanDerWaalsContact O-CA 3.29Å; L375-H392 WeakPolarHBondContact O-CA 3.47Å; R376-H392 PolarHBondContact NE-NE2 2.91Å; R376-H392 VanDerWaalsContact NE-NE2 3.13Å; R376-H392 PolarHBondContact NH2-NE2 3.34Å; R376-H392 VanDerWaalsContact NH2-NE2 3.12Å; C390-H392 PolarHBondContact O-CE1 3.35Å; C390-H392 PolarHBondContact O-N 3.21Å; C390-H392 PolarHBondContact O-ND1 3.33Å; H392-V408 HydrophobicContact CB-CB 4.18Å; H392-V408 PolarHBondContact O-N 3.44Å |
| 393 | Y | 92.3 | Very high | 76.1 | Confident | 15 Ų | 15 | 54 Ų | 54 | 6% | 0.059 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 149.9 | 178.5 | -57.9 | -83.7 | 0 | 0 | 0 | 110.7 | F299 L316 L375 V377 L405 K406 P407 | F299-Y393 AromaticContact CD1-CE1 3.93Å; F299-Y393 HydrophobicContact CD1-CE1 3.93Å; F299-Y393 AromaticContact CD1-CZ 3.86Å; F299-Y393 AromaticContact CE1-CD1 3.87Å; F299-Y393 HydrophobicContact CE1-CD1 3.87Å; F299-Y393 AromaticContact CE1-CE1 3.18Å; F299-Y393 HydrophobicContact CE1-CE1 3.18Å; F299-Y393 AromaticContact CE1-CZ 3.6Å; F299-Y393 AromaticContact CZ-CE1 3.95Å; F299-Y393 HydrophobicContact CZ-CE1 3.95Å; L316-Y393 HydrophobicContact CD1-CD2 4.34Å; L316-Y393 HydrophobicContact CD2-CD2 3.81Å; L316-Y393 HydrophobicContact CD2-CE2 4.01Å; L375-Y393 PolarHBondContact N-O 2.88Å; L375-Y393 PolarHBondContact O-N 3.48Å; V377-Y393 HydrophobicContact CG2-CD2 4.29Å; V377-Y393 HydrophobicContact CG2-CE2 3.55Å; Y393-L405 HydrophobicContact CD1-CD1 4.48Å; Y393-L405 HydrophobicContact CD1-CD2 4.48Å; Y393-L405 HydrophobicContact CD1-CG 4.25Å; Y393-L405 HydrophobicContact CG-CD1 4.09Å; Y393-L405 HydrophobicContact CG-CG 4.34Å; Y393-K406 CarbonylContact C-O 3.54Å; Y393-K406 VanDerWaalsContact CA-O 3.24Å; Y393-K406 WeakPolarHBondContact CA-O 3.42Å; Y393-P407 HydrophobicContact CD1-CB 4.29Å; Y393-P407 HydrophobicContact CD1-CG 4.44Å; Y393-P407 HydrophobicContact CE1-CB 4.13Å; Y393-P407 HydrophobicContact CE1-CG 4.21Å |
| 394 | V | 95.1 | Very high | 77.9 | Confident | 3 Ų | 3 | 52.4 Ų | 52.4 | 2% | 0.018 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 133.6 | 167.5 | 166.3 | 0 | 0 | 0 | 0 | 108.3 | L322 L332 F372 L373 L374 Q396 K406 V408 | L322-V394 HydrophobicContact CD1-CG2 4.19Å; L332-V394 HydrophobicContact CD2-CB 4.29Å; L332-V394 HydrophobicContact CD2-CG2 4.23Å; F372-V394 HydrophobicContact CB-CG1 4Å; F372-V394 HydrophobicContact CD2-CG1 4Å; F372-V394 HydrophobicContact CG-CG1 4.21Å; L373-V394 CarbonylContact O-C 3.56Å; L373-V394 WeakPolarHBondContact O-CA 3.29Å; L374-V394 HydrophobicContact CD1-CG2 4.18Å; V394-Q396 HydrophobicContact CG1-CG 3.69Å; V394-K406 PolarHBondContact N-O 2.82Å; V394-K406 PolarHBondContact O-N 3.38Å; V394-V408 HydrophobicContact CB-CG2 4.06Å; V394-V408 HydrophobicContact CG2-CG2 3.46Å; V394-V408 VanDerWaalsContact CG2-CG2 3.46Å |
| 395 | L | 95.9 | Very high | 79.9 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 117.2 | 175.4 | -164.9 | 68.5 | 0 | 0 | 0 | 109 | L255 I339 F372 L373 L375 L403 L404 L405 | L255-L395 HydrophobicContact CD1-CD2 3.84Å; L255-L395 HydrophobicContact CD2-CD2 4.23Å; I339-L395 HydrophobicContact CG1-CD1 4.05Å; F372-L395 WeakPolarHBondContact CA-O 3.49Å; L373-L395 HydrophobicContact CB-CB 4.18Å; L373-L395 HydrophobicContact CD1-CD2 4.37Å; L373-L395 PolarHBondContact N-O 2.84Å; L373-L395 PolarHBondContact O-N 3.43Å; L375-L395 HydrophobicContact CD1-CB 3.83Å; L375-L395 HydrophobicContact CD1-CD1 4.37Å; L375-L395 HydrophobicContact CD1-CD2 4.22Å; L375-L395 HydrophobicContact CD1-CG 4.38Å; L375-L395 HydrophobicContact CG-CB 4.31Å; L395-L403 HydrophobicContact CD1-CB 3.6Å; L395-L403 HydrophobicContact CD1-CD1 4.32Å; L395-L403 HydrophobicContact CD2-CB 4.34Å; L395-L403 HydrophobicContact CD2-CD1 3.55Å; L395-L403 HydrophobicContact CD2-CG 4.43Å; L395-L403 HydrophobicContact CG-CB 3.83Å; L395-L403 HydrophobicContact CG-CD1 4Å; L395-L403 HydrophobicContact CG-CG 4.36Å; L395-L404 WeakPolarHBondContact CA-O 3.48Å; L395-L405 HydrophobicContact CD1-CB 4.24Å; L395-L405 HydrophobicContact CD1-CD1 3.95Å |
| 396 | Q | 94.8 | Very high | 81.9 | Confident | 20 Ų | 20 | 43.2 Ų | 43.2 | 9% | 0.093 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 134.9 | -176.1 | -51.7 | -179.9 | -37.1 | 0 | 0 | 109.9 | F372 V394 L403 L404 | F372-Q396 HydrophobicContact CD1-CB 3.9Å; F372-Q396 HydrophobicContact CD1-CG 3.87Å; F372-Q396 HydrophobicContact CD2-CG 4.02Å; F372-Q396 HydrophobicContact CE1-CB 3.78Å; F372-Q396 HydrophobicContact CE1-CG 3.86Å; F372-Q396 HydrophobicContact CE2-CG 4Å; F372-Q396 VanDerWaalsContact CE2-NE2 3.34Å; F372-Q396 HydrophobicContact CG-CB 4.48Å; F372-Q396 HydrophobicContact CG-CG 3.97Å; F372-Q396 HydrophobicContact CZ-CB 4.24Å; F372-Q396 HydrophobicContact CZ-CG 3.92Å; V394-Q396 HydrophobicContact CG1-CG 3.69Å; Q396-L403 CarbonylContact O-C 3.55Å; Q396-L403 VanDerWaalsContact O-CA 3.3Å; Q396-L403 WeakPolarHBondContact O-CA 3.3Å; Q396-L404 HydrophobicContact CB-CB 4.28Å; Q396-L404 PolarHBondContact N-O 3.08Å; Q396-L404 PolarHBondContact O-N 2.84Å |
| 397 | P | 94.3 | Very high | 83.7 | Confident | 28 Ų | 28 | 39.2 Ų | 39.2 | 18% | 0.182 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 141.8 | 173.8 | 31.9 | -35.2 | 0 | 0 | 0 | 111.7 | L366 R367 L371 L403 | L366-P397 HydrophobicContact CB-CB 3.97Å; L366-P397 HydrophobicContact CB-CG 3.77Å; R367-P397 HydrophobicContact CB-CB 4.15Å; R367-P397 HydrophobicContact CB-CG 4.27Å; L371-P397 WeakPolarHBondContact O-CD 3.44Å; P397-L403 HydrophobicContact CB-CD2 4.13Å |
| 398 | S | 89 | Confident | 85.8 | Confident | 33 Ų | 33 | 35 Ų | 35 | 23% | 0.231 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 152.4 | 172.8 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | S400 S402 | S398-S400 PolarHBondContact O-N 2.79Å; S398-S400 VanDerWaalsContact O-N 3.15Å; S398-S400 PolarHBondContact OG-N 2.89Å; S398-S400 PolarHBondContact OG-OG 2.96Å; S398-S402 VanDerWaalsContact CB-O 3.27Å; S398-S402 WeakPolarHBondContact CB-O 3.16Å; S398-S402 WeakPolarHBondContact CB-OG 3.42Å; S398-S402 PolarHBondContact N-O 3.46Å |
| 399 | P | 83.3 | Confident | 87.2 | Confident | 102 Ų | 102 | 33 Ų | 33 | 66% | 0.662 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -26.3 | 169.8 | -25.2 | 34.7 | 0 | 0 | 0 | 114.2 | R367 V401 | R367-P399 PolarHBondContact NH1-O 3.37Å; P399-V401 VanDerWaalsContact C-N 3.35Å; P399-V401 PolarHBondContact O-N 3.2Å |
| 400 | S | 79.8 | Confident | 88.4 | Confident | 82 Ų | 82 | 29.1 Ų | 29.1 | 57% | 0.573 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 36.7 | -173.9 | 65.6 | 0 | 0 | 0 | 0 | 114.1 | S398 S402 | S398-S400 PolarHBondContact O-N 2.79Å; S398-S400 VanDerWaalsContact O-N 3.15Å; S398-S400 PolarHBondContact OG-N 2.89Å; S398-S400 PolarHBondContact OG-OG 2.96Å; S400-S402 VanDerWaalsContact C-N 3.29Å; S400-S402 PolarHBondContact O-N 3.44Å; S400-S402 PolarHBondContact O-OG 2.95Å; S400-S402 PolarHBondContact OG-OG 2.74Å; S400-S402 VanDerWaalsContact OG-OG 3.05Å |
| 401 | V | 85.7 | Confident | 89.5 | Confident | 48 Ų | 48 | 37 Ų | 37 | 29% | 0.291 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 42.3 | 54.2 | -177.4 | -162.3 | 0 | 0 | 0 | 0 | 113.2 | H360 C363 P399 | H360-V401 WeakPolarHBondContact CE1-CG1 3.37Å; H360-V401 WeakPolarHBondContact ND1-CG1 3.4Å; C363-V401 HydrophobicContact CB-CG1 4.19Å; P399-V401 VanDerWaalsContact C-N 3.35Å; P399-V401 PolarHBondContact O-N 3.2Å |
| 402 | S | 92.6 | Very high | 89.5 | Confident | 5 Ų | 5 | 39.5 Ų | 39.5 | 4% | 0.035 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 166.5 | 176 | 46.6 | 0 | 0 | 0 | 0 | 107.8 | I339 S398 S400 | I339-S402 WeakPolarHBondContact O-CB 3.42Å; S398-S402 VanDerWaalsContact CB-O 3.27Å; S398-S402 WeakPolarHBondContact CB-O 3.16Å; S398-S402 WeakPolarHBondContact CB-OG 3.42Å; S398-S402 PolarHBondContact N-O 3.46Å; S400-S402 VanDerWaalsContact C-N 3.29Å; S400-S402 PolarHBondContact O-N 3.44Å; S400-S402 PolarHBondContact O-OG 2.95Å; S400-S402 PolarHBondContact OG-OG 2.74Å; S400-S402 VanDerWaalsContact OG-OG 3.05Å |
| 403 | L | 94.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 148 | 176 | -54.1 | 169.4 | 0 | 0 | 0 | 109.2 | L255 I339 F359 L362 C363 L366 L395 Q396 P397 | L255-L403 HydrophobicContact CD1-CD1 4.29Å; I339-L403 HydrophobicContact CB-CB 4.13Å; I339-L403 PolarHBondContact N-O 3.38Å; I339-L403 PolarHBondContact O-N 3.43Å; F359-L403 HydrophobicContact CE1-CG 4.5Å; F359-L403 HydrophobicContact CE2-CD1 3.76Å; F359-L403 HydrophobicContact CE2-CG 4.2Å; F359-L403 HydrophobicContact CZ-CB 4.43Å; F359-L403 HydrophobicContact CZ-CD1 3.87Å; F359-L403 HydrophobicContact CZ-CG 3.78Å; L362-L403 HydrophobicContact CD2-CD1 3.96Å; L362-L403 HydrophobicContact CG-CD1 4.46Å; C363-L403 HydrophobicContact CB-CD2 4.37Å; C363-L403 VanDerWaalsContact SG-CD2 3.5Å; L366-L403 HydrophobicContact CD1-CD2 4.16Å; L395-L403 HydrophobicContact CD1-CB 3.6Å; L395-L403 HydrophobicContact CD1-CD1 4.32Å; L395-L403 HydrophobicContact CD2-CB 4.34Å; L395-L403 HydrophobicContact CD2-CD1 3.55Å; L395-L403 HydrophobicContact CD2-CG 4.43Å; L395-L403 HydrophobicContact CG-CB 3.83Å; L395-L403 HydrophobicContact CG-CD1 4Å; L395-L403 HydrophobicContact CG-CG 4.36Å; Q396-L403 CarbonylContact O-C 3.55Å; Q396-L403 VanDerWaalsContact O-CA 3.3Å; Q396-L403 WeakPolarHBondContact O-CA 3.3Å; P397-L403 HydrophobicContact CB-CD2 4.13Å |
| 404 | L | 93.8 | Very high | 88.8 | Confident | 45 Ų | 45 | 45.9 Ų | 45.9 | 24% | 0.236 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 118.3 | 176.9 | -161.7 | 68.9 | 0 | 0 | 0 | 108.5 | P336 L337 V338 L395 Q396 | P336-L404 HydrophobicContact CB-CD1 3.73Å; P336-L404 HydrophobicContact CB-CD2 3.97Å; P336-L404 HydrophobicContact CB-CG 3.81Å; L337-L404 WeakPolarHBondContact O-CA 3.45Å; V338-L404 HydrophobicContact CG2-CD1 4.17Å; L395-L404 WeakPolarHBondContact CA-O 3.48Å; Q396-L404 HydrophobicContact CB-CB 4.28Å; Q396-L404 PolarHBondContact N-O 3.08Å; Q396-L404 PolarHBondContact O-N 2.84Å |
| 405 | L | 92.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 122.4 | 177 | -172.2 | 74.9 | 0 | 0 | 0 | 109.3 | M273 F299 L316 L337 I339 L375 Y393 L395 | M273-L405 HydrophobicContact CE-CD2 3.71Å; F299-L405 HydrophobicContact CD1-CD2 4.21Å; F299-L405 HydrophobicContact CE1-CD2 3.94Å; L316-L405 HydrophobicContact CD1-CD1 3.98Å; L316-L405 HydrophobicContact CD1-CD2 4.09Å; L337-L405 HydrophobicContact CB-CB 4.46Å; L337-L405 PolarHBondContact N-O 2.95Å; L337-L405 PolarHBondContact O-N 2.85Å; I339-L405 HydrophobicContact CD1-CB 3.9Å; I339-L405 HydrophobicContact CD1-CD2 4.15Å; I339-L405 HydrophobicContact CG1-CB 3.8Å; L375-L405 HydrophobicContact CD1-CD1 3.54Å; Y393-L405 HydrophobicContact CD1-CD1 4.48Å; Y393-L405 HydrophobicContact CD1-CD2 4.48Å; Y393-L405 HydrophobicContact CD1-CG 4.25Å; Y393-L405 HydrophobicContact CG-CD1 4.09Å; Y393-L405 HydrophobicContact CG-CG 4.34Å; L395-L405 HydrophobicContact CD1-CB 4.24Å; L395-L405 HydrophobicContact CD1-CD1 3.95Å |
| 406 | K | 91.8 | Very high | 87.5 | Confident | 31 Ų | 31 | 59.5 Ų | 59.5 | 14% | 0.135 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 132.5 | 177.8 | -70.7 | -176.9 | 174.6 | -173.7 | 0 | 111.1 | E329 L332 P336 Y393 V394 | E329-K406 VanDerWaalsContact CD-NZ 3.26Å; E329-K406 IonicContact OE1-NZ 3.88Å; E329-K406 PolarHBondContact OE1-NZ 2.85Å; E329-K406 IonicContact OE2-NZ 3.88Å; E329-K406 PolarHBondContact OE2-NZ 2.66Å; L332-K406 HydrophobicContact CB-CD 4.46Å; L332-K406 HydrophobicContact CD1-CB 4.44Å; L332-K406 HydrophobicContact CD1-CD 3.63Å; P336-K406 HydrophobicContact CB-CG 4.06Å; Y393-K406 CarbonylContact C-O 3.54Å; Y393-K406 VanDerWaalsContact CA-O 3.24Å; Y393-K406 WeakPolarHBondContact CA-O 3.42Å; V394-K406 PolarHBondContact N-O 2.82Å; V394-K406 PolarHBondContact O-N 3.38Å |
| 407 | P | 89.2 | Confident | 86.4 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 143.3 | 168.5 | -17.3 | 25.6 | 0 | 0 | 0 | 112.2 | T293 F299 L332 Y333 Y393 | T293-P407 HydrophobicContact CG2-CB 4.25Å; T293-P407 HydrophobicContact CG2-CG 3.96Å; F299-P407 HydrophobicContact CZ-CG 4.37Å; L332-P407 WeakPolarHBondContact CA-O 3.3Å; Y333-P407 HydrophobicContact CD1-CB 3.96Å; Y333-P407 HydrophobicContact CD2-CB 4.31Å; Y333-P407 HydrophobicContact CE1-CB 3.61Å; Y333-P407 HydrophobicContact CE2-CB 4Å; Y333-P407 HydrophobicContact CG-CB 4.29Å; Y333-P407 PolarHBondContact N-O 3.47Å; Y333-P407 WeakPolarHBondContact O-CB 3.24Å; Y333-P407 WeakPolarHBondContact O-CD 3.27Å; Y333-P407 WeakPolarHBondContact O-CG 3.23Å; Y393-P407 HydrophobicContact CD1-CB 4.29Å; Y393-P407 HydrophobicContact CD1-CG 4.44Å; Y393-P407 HydrophobicContact CE1-CB 4.13Å; Y393-P407 HydrophobicContact CE1-CG 4.21Å |
| 408 | V | 89.8 | Confident | 85.2 | Confident | 22 Ų | 22 | 67.8 Ų | 67.8 | 13% | 0.133 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 130.7 | 175.3 | -176.1 | 0 | 0 | 0 | 0 | 109.6 | V331 L332 L374 H392 V394 S410 | V331-V408 CarbonylContact O-C 3.58Å; V331-V408 WeakPolarHBondContact O-CA 3.06Å; L332-V408 HydrophobicContact CD2-CG2 3.85Å; L374-V408 HydrophobicContact CD1-CG2 4.31Å; H392-V408 HydrophobicContact CB-CB 4.18Å; H392-V408 PolarHBondContact O-N 3.44Å; V394-V408 HydrophobicContact CB-CG2 4.06Å; V394-V408 HydrophobicContact CG2-CG2 3.46Å; V394-V408 VanDerWaalsContact CG2-CG2 3.46Å; V408-S410 PolarHBondContact O-N 3.43Å; V408-S410 VanDerWaalsContact O-N 3.13Å |
| 409 | A | 86.9 | Confident | 84.3 | Confident | 18 Ų | 18 | 72.9 Ų | 72.9 | 15% | 0.149 | 41% | 0.407 | C | S | . | . | trans | -63.2 | 112.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | V331 Y333 L413 L414 | V331-A409 WeakPolarHBondContact O-CB 3.21Å; V331-A409 PolarHBondContact O-N 2.89Å; Y333-A409 HydrophobicContact CD1-CB 4.26Å; Y333-A409 HydrophobicContact CE1-CB 4.47Å; A409-L413 HydrophobicContact CB-CB 4.31Å; A409-L414 HydrophobicContact CB-CD2 3.8Å; A409-L414 HydrophobicContact CB-CG 4.3Å | ||
| 410 | S | 83.7 | Confident | 83.7 | Confident | 14 Ų | 14 | 73.6 Ų | 73.6 | 10% | 0.098 | 41% | 0.412 | C | S | . | . | trans | -76 | 167.7 | 170.8 | 50.8 | 0 | 0 | 0 | 0 | 110.8 | V408 E412 L413 L414 | V408-S410 PolarHBondContact O-N 3.43Å; V408-S410 VanDerWaalsContact O-N 3.13Å; S410-E412 WeakPolarHBondContact CB-OE1 3.19Å; S410-E412 WeakPolarHBondContact CB-OE2 3.37Å; S410-E412 PolarHBondContact O-N 3.22Å; S410-E412 VanDerWaalsContact O-N 3.08Å; S410-E412 WeakPolarHBondContact OG-CG 3.29Å; S410-E412 PolarHBondContact OG-OE1 2.85Å; S410-L413 PolarHBondContact O-N 2.65Å; S410-L414 PolarHBondContact O-N 3.4Å | ||
| 411 | R | 83.5 | Confident | 83.1 | Confident | 227 Ų | 227 | 75.5 Ų | 75.5 | 86% | 0.857 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -50.5 | -39.1 | -174.6 | 176 | -179.5 | 169.3 | -178.6 | -2.7 | 113 | L413 L414 | R411-L413 VanDerWaalsContact C-N 3.26Å; R411-L413 PolarHBondContact O-N 2.89Å; R411-L414 PolarHBondContact O-N 3.46Å |
| 412 | E | 81.9 | Confident | 82 | Confident | 100 Ų | 100 | 77.7 Ų | 77.7 | 47% | 0.467 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -68.8 | -18.9 | -179.8 | 55.4 | -87.7 | -162.7 | 0 | 0 | 114.4 | V389 S410 | V389-E412 HydrophobicContact CG1-CG 4.1Å; V389-E412 WeakPolarHBondContact CG1-OE1 3.4Å; V389-E412 HydrophobicContact CG2-CG 3.8Å; S410-E412 WeakPolarHBondContact CB-OE1 3.19Å; S410-E412 WeakPolarHBondContact CB-OE2 3.37Å; S410-E412 PolarHBondContact O-N 3.22Å; S410-E412 VanDerWaalsContact O-N 3.08Å; S410-E412 WeakPolarHBondContact OG-CG 3.29Å; S410-E412 PolarHBondContact OG-OE1 2.85Å |
| 413 | L | 82.7 | Confident | 80.7 | Confident | 94 Ų | 94 | 84.5 Ų | 84.5 | 49% | 0.492 | 47% | 0.473 | S | S | . | . | G | 310 helix | trans | -96.4 | -13.8 | 175.5 | -61.6 | 178.1 | 0 | 0 | 0 | 112.4 | Y333 A409 S410 R411 | Y333-L413 HydrophobicContact CE1-CD1 4.06Å; A409-L413 HydrophobicContact CB-CB 4.31Å; S410-L413 PolarHBondContact O-N 2.65Å; R411-L413 VanDerWaalsContact C-N 3.26Å; R411-L413 PolarHBondContact O-N 2.89Å |
| 414 | L | 83.3 | Confident | 79.4 | Confident | 89 Ų | 89 | 92.3 Ų | 92.3 | 47% | 0.466 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -84.5 | 125.8 | -178.9 | -66.1 | 175 | 0 | 0 | 0 | 110.8 | V331 A409 S410 R411 | V331-L414 HydrophobicContact CG1-CD2 4.45Å; A409-L414 HydrophobicContact CB-CD2 3.8Å; A409-L414 HydrophobicContact CB-CG 4.3Å; S410-L414 PolarHBondContact O-N 3.4Å; R411-L414 PolarHBondContact O-N 3.46Å |
| 415 | L | 82.7 | Confident | 78.3 | Confident | 156 Ų | 156 | 97.5 Ų | 97.5 | 82% | 0.817 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -86.9 | 148.5 | 170.6 | -64.8 | 175.5 | 0 | 0 | 0 | 110.4 | C417 | L415-C417 PolarHBondContact O-N 2.95Š|
| 416 | P | 81 | Confident | 77.4 | Confident | 134 Ų | 134 | 101.1 Ų | 101.1 | 87% | 0.87 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 126 | 172.5 | -20.9 | 32.1 | 0 | 0 | 0 | 110.7 | ||
| 417 | C | 71.7 | Confident | 76.8 | Confident | 100 Ų | 100 | 102.9 Ų | 102.9 | 68% | 0.676 | 58% | 0.577 | S | S | * | * | trans | -131.7 | 112.4 | 177.2 | -170.2 | 0 | 0 | 0 | 0 | 109 | L415 L419 | L415-C417 PolarHBondContact O-N 2.95Å; C417-L419 VanDerWaalsContact SG-CD1 3.59Å; C417-L419 VanDerWaalsContact SG-CG 3.58Å | ||
| 418 | S | 68.9 | Low | 76.2 | Confident | 122 Ų | 122 | 107.3 Ų | 107.3 | 85% | 0.853 | 61% | 0.606 | S | S | * | * | trans | -107.3 | 71.5 | 175.7 | 51.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 419 | L | 70.4 | Confident | 75.7 | Confident | 141 Ų | 141 | 112.1 Ų | 112.1 | 74% | 0.738 | 63% | 0.631 | S | S | * | * | trans | -83.1 | 123.8 | 169.2 | -70.9 | 166.8 | 0 | 0 | 0 | 108.5 | C417 V421 | C417-L419 VanDerWaalsContact SG-CD1 3.59Å; C417-L419 VanDerWaalsContact SG-CG 3.58Å; L419-V421 PolarHBondContact O-N 2.75Å | ||
| 420 | P | 70.9 | Confident | 75.3 | Confident | 117 Ų | 117 | 113.1 Ų | 113.1 | 76% | 0.76 | 64% | 0.64 | S | S | * | * | trans | -63.9 | 131.1 | 173.6 | 26.4 | -31.4 | 0 | 0 | 0 | 109 | S422 | P420-S422 PolarHBondContact O-N 3.44Š| ||
| 421 | V | 67.4 | Low | 74.9 | Confident | 122 Ų | 122 | 117 Ų | 117 | 74% | 0.739 | 66% | 0.657 | S | S | * | * | trans | -65.1 | 109.6 | 168.7 | -178.2 | 0 | 0 | 0 | 0 | 106.7 | L419 N423 | L419-V421 PolarHBondContact O-N 2.75Å; V421-N423 PolarHBondContact O-N 3.41Å; V421-N423 VanDerWaalsContact O-N 3.09Å | ||
| 422 | S | 61.7 | Low | 74.6 | Confident | 94 Ų | 94 | 111.4 Ų | 111.4 | 66% | 0.657 | 64% | 0.644 | S | S | * | * | trans | -71.3 | 104.6 | 175.6 | -177.7 | 0 | 0 | 0 | 0 | 108.6 | P420 Q424 | P420-S422 PolarHBondContact O-N 3.44Å; S422-Q424 PolarHBondContact O-N 3.23Å | ||
| 423 | N | 64.9 | Low | 74.3 | Confident | 147 Ų | 147 | 111.4 Ų | 111.4 | 79% | 0.786 | 66% | 0.656 | S | S | * | * | trans | -85 | 9.3 | 170.7 | -64.3 | -28.8 | 0 | 0 | 0 | 112.2 | V421 | V421-N423 PolarHBondContact O-N 3.41Å; V421-N423 VanDerWaalsContact O-N 3.09Å | ||
| 424 | Q | 69.1 | Low | 73.9 | Confident | 166 Ų | 166 | 113.8 Ų | 113.8 | 78% | 0.776 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 118.2 | 176 | -69.8 | -173.6 | 3 | 0 | 0 | 109.3 | S422 | S422-Q424 PolarHBondContact O-N 3.23Š|
| 425 | D | 69.6 | Low | 72.7 | Confident | 153 Ų | 153 | 119.5 Ų | 119.5 | 82% | 0.818 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 135.8 | 166.9 | -73.9 | -41.4 | 0 | 0 | 0 | 109.3 | S427 | D425-S427 PolarHBondContact O-N 3.37Š|
| 426 | P | 73.9 | Confident | 72.2 | Confident | 77 Ų | 77 | 117.7 Ų | 117.7 | 50% | 0.5 | 69% | 0.685 | S | S | . | * | P | Polyproline II helix | trans | -58.8 | 140.4 | 176.3 | 25.2 | -33 | 0 | 0 | 0 | 109.4 | M431 | P426-M431 HydrophobicContact CB-CG 4.09Å; P426-M431 HydrophobicContact CB-SD 4.03Å; P426-M431 HydrophobicContact CG-CE 4.34Å; P426-M431 HydrophobicContact CG-CG 3.84Å; P426-M431 HydrophobicContact CG-SD 3.51Å; P426-M431 VanDerWaalsContact CG-SD 3.51Å |
| 427 | S | 80.3 | Confident | 71.7 | Confident | 67 Ų | 67 | 116.8 Ų | 116.8 | 47% | 0.469 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -55.8 | 137.3 | -177.9 | 76.9 | 0 | 0 | 0 | 0 | 110.4 | D425 N429 A430 M431 | D425-S427 PolarHBondContact O-N 3.37Å; S427-N429 PolarHBondContact O-N 3.02Å; S427-N429 VanDerWaalsContact O-N 3.13Å; S427-A430 WeakPolarHBondContact O-CA 3.44Å; S427-A430 WeakPolarHBondContact O-CB 3.18Å; S427-A430 PolarHBondContact O-N 2.88Å; S427-A430 VanDerWaalsContact OG-CB 3.25Å; S427-A430 WeakPolarHBondContact OG-CB 3.47Å; S427-A430 PolarHBondContact OG-N 2.76Å; S427-M431 PolarHBondContact O-N 2.96Å |
| 428 | P | 76.3 | Confident | 71.7 | Confident | 93 Ų | 93 | 117.7 Ų | 117.7 | 60% | 0.604 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -59.7 | -29.8 | -177.1 | 20.2 | -31.1 | 0 | 0 | 0 | 112.3 | M431 N432 | P428-M431 PolarHBondContact O-N 3.03Å; P428-N432 WeakPolarHBondContact O-CB 3.17Å; P428-N432 VanDerWaalsContact O-CG 3.25Å; P428-N432 PolarHBondContact O-N 2.95Å; P428-N432 PolarHBondContact O-ND2 3.23Å |
| 429 | N | 78.2 | Confident | 71.9 | Confident | 123 Ų | 123 | 117.5 Ų | 117.5 | 66% | 0.658 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -67.1 | -37.7 | 174.2 | -67.2 | -15.9 | 0 | 0 | 0 | 112.6 | S427 S433 | S427-N429 PolarHBondContact O-N 3.02Å; S427-N429 VanDerWaalsContact O-N 3.13Å; N429-S433 PolarHBondContact O-N 3.35Å; N429-S433 PolarHBondContact O-OG 3.31Å |
| 430 | A | 78.8 | Confident | 71.9 | Confident | 40 Ų | 40 | 116 Ų | 116 | 33% | 0.331 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -69.6 | -39.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | S427 S433 I434 | S427-A430 WeakPolarHBondContact O-CA 3.44Å; S427-A430 WeakPolarHBondContact O-CB 3.18Å; S427-A430 PolarHBondContact O-N 2.88Å; S427-A430 VanDerWaalsContact OG-CB 3.25Å; S427-A430 WeakPolarHBondContact OG-CB 3.47Å; S427-A430 PolarHBondContact OG-N 2.76Å; A430-S433 PolarHBondContact O-N 3.46Å; A430-S433 VanDerWaalsContact O-N 3.16Å; A430-I434 WeakPolarHBondContact O-CG1 3.23Å; A430-I434 PolarHBondContact O-N 3.19Å |
| 431 | M | 75.1 | Confident | 72 | Confident | 95 Ų | 95 | 115.9 Ų | 115.9 | 47% | 0.468 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -60.8 | -45.2 | 175.1 | -68.9 | -69 | -82.7 | 0 | 0 | 111.6 | P426 S427 P428 S433 I434 Q435 | P426-M431 HydrophobicContact CB-CG 4.09Å; P426-M431 HydrophobicContact CB-SD 4.03Å; P426-M431 HydrophobicContact CG-CE 4.34Å; P426-M431 HydrophobicContact CG-CG 3.84Å; P426-M431 HydrophobicContact CG-SD 3.51Å; P426-M431 VanDerWaalsContact CG-SD 3.51Å; S427-M431 PolarHBondContact O-N 2.96Å; P428-M431 PolarHBondContact O-N 3.03Å; M431-S433 PolarHBondContact O-N 2.72Å; M431-I434 PolarHBondContact O-N 2.75Å; M431-Q435 PolarHBondContact O-N 3.18Å |
| 432 | N | 76.8 | Confident | 72.3 | Confident | 109 Ų | 109 | 115.5 Ų | 115.5 | 58% | 0.583 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -69.1 | -16.5 | 177.1 | -69.1 | -12.4 | 0 | 0 | 0 | 114 | P428 | P428-N432 WeakPolarHBondContact O-CB 3.17Å; P428-N432 VanDerWaalsContact O-CG 3.25Å; P428-N432 PolarHBondContact O-N 2.95Å; P428-N432 PolarHBondContact O-ND2 3.23Å |
| 433 | S | 76 | Confident | 73.2 | Confident | 101 Ų | 101 | 117.2 Ų | 117.2 | 71% | 0.706 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -89 | -13.9 | 177 | -56.5 | 0 | 0 | 0 | 0 | 112.8 | N429 A430 M431 | N429-S433 PolarHBondContact O-N 3.35Å; N429-S433 PolarHBondContact O-OG 3.31Å; A430-S433 PolarHBondContact O-N 3.46Å; A430-S433 VanDerWaalsContact O-N 3.16Å; M431-S433 PolarHBondContact O-N 2.72Å |
| 434 | I | 75.7 | Confident | 73.8 | Confident | 144 Ų | 144 | 114.7 Ų | 114.7 | 74% | 0.738 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -100.8 | -24.7 | -178.3 | -65.5 | 169.4 | 0 | 0 | 0 | 111.3 | A430 M431 | A430-I434 WeakPolarHBondContact O-CG1 3.23Å; A430-I434 PolarHBondContact O-N 3.19Å; M431-I434 PolarHBondContact O-N 2.75Å |
| 435 | Q | 56.5 | Low | 74.3 | Confident | 208 Ų | 208 | 110 Ų | 110 | 97% | 0.972 | 62% | 0.622 | S | S | * | * | trans | -79 | 0 | 169.3 | -69.8 | -175.7 | -31.4 | 0 | 0 | 111.3 | M431 | M431-Q435 PolarHBondContact O-N 3.18Š|
Retrieved 435 of 435 residues in 79.2 ms
(Link to these results)